A0A093H6D6_STRCA Loading...

Peptidyl-glycine alpha-amidating monooxygenase

AlphaFold DB , UniProt , Accession A0A093H6D6, Species STRCA (Struthio camelus australis), Gene n/a, Length 969 aa.

						>A0A093H6D6_STRCA|A0A093H6D6
MAGLLNNLLILLVFQNSCLGFRSPLSVFKRYKDTTRSLSNECLGSNRPVISLGLSDFALDIRMPGVTPKQSDTYLCMSAPLLVDDEAYVVDFKPHASMDTVHHMLLFGCNEPSSTENYWDCDEGTCKDKSNILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDKHKDCSGVTLHLTHQKQPLIAGMYLMMSVNTVIPPGEKVVDADIACHYKRFPMHLFAYRVHTHRLGKVVSGYRVRNGQWTLIGRQSPQLPQAFYSVEHPVDVHFDDILAARCVFSGEGRTTETHIGGTANDEMCNFYIMYYMEAKHAVSYMTCTQNANPEMFRNIPQEANTPILVKSDMLKMTHGHHEESKDADKNSLQQQPKREEEEVLDQGDFYSLLSKLLGEREDVVHVHKYNPTEKAESDLVAEIANVVQKKDLAREVTNHDERDNAILVRDRIHKFHRLESTLRPPGNRHFSVQQPKHGEGSWEKEHTGDFHIDEVVDWPGLDLKLGQVSGLALDPENNLVVFHRGDHVWDENSFDSKFVYQQRGVGPIEQNTILVLNPSNAQLLHSMGKNLFYLPHGLSIDKNGNYWVTDVALHQVFKLGADDKEPLLILGTALQPGSDKNHFCQPTDVAVDPITGSIYVSDGYCNSRIVQFSPNGLYIKQWGEETSLDRARPGQFHIPHSLTLVPDFSQLCVADRENGRIQCFTLETGEFVREIKHKSFGRELFAVSYVPGGLLFAVNGMPYPGEAEPVQGFVMNFSTGEIIDTFSPVRKTFEMPHDVVASEDKTVFVGDVHARTVWKFTSTEKMEHRSVKKAGIEVQEAKETIIETRLKNSPESTEPLKEEEKQHLVRQTSTGVSFILITTLLIIPIIVLLAILVFIRWRKTTVYGGDAEHKLDSSSGRILGRLRGKGGGGLNLGNFFASHKGYSRKGFDRLSTEGSDQEKDEDDGTDSEEEYSAPPPPPAPSSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	30.9	Very low	232 Å²	232	144.1 Å²	144.1	100%	1.143	81%	0.809	S	S	*	*				0	122.3	0	-55.5	-167.8	-73	0	0	105.8
2	A	30.3	Very low	30.9	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	80%	0.803	S	S	*	*				62.2	122.7	53.7	0	0	0	0	0	111.4
3	G	29.9	Very low	30.7	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	80%	0.801	S	S	*	*			cis	155.4	153.5	-5.8	0	0	0	0	0	111.4
4	L	33.4	Very low	30.6	Very low	169 Å²	169	144.2 Å²	144.2	89%	0.885	80%	0.796	S	S	*	*			trans	170.1	104.7	165.1	-94.8	148.3	0	0	0	106.4
5	L	34.8	Very low	30.6	Very low	142 Å²	142	144.8 Å²	144.8	74%	0.743	79%	0.79	S	S	*	*				75.9	113.1	63	-79.5	165.6	0	0	0	116
6	N	35.6	Very low	30.3	Very low	136 Å²	136	144.3 Å²	144.3	73%	0.727	79%	0.786	S	S	*	*			trans	60.8	147.3	144.6	-68.4	13.1	0	0	0	119
7	N	29.7	Very low	30.3	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	78%	0.779	S	S	*	*			cis	-150.8	-179.9	37	-132.7	-13.1	0	0	0	115
8	L	30.6	Very low	30.1	Very low	147 Å²	147	139.7 Å²	139.7	77%	0.77	78%	0.778	S	S	*	*			trans	-109.9	161.5	-170	-162.6	76.4	0	0	0	113
9	L	27.8	Very low	30	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	78%	0.783	S	S	*	*			trans	81.9	139.8	146.1	-147.7	78.2	0	0	0	119.9
10	I	28.7	Very low	29.8	Very low	138 Å²	138	137.2 Å²	137.2	71%	0.708	78%	0.776	S	S	*	*			trans	142.7	130.8	133.1	-75.7	173.7	0	0	0	115.7
11	L	26.8	Very low	29.6	Very low	151 Å²	151	139.5 Å²	139.5	79%	0.791	78%	0.778	S	S	*	*			trans	55.6	131.8	165.2	-70.6	161.7	0	0	0	118.9
12	L	30.1	Very low	29.3	Very low	140 Å²	140	139.1 Å²	139.1	73%	0.733	76%	0.764	S	S	*	*			cis	82.7	110.2	13.9	-116.6	-179.4	0	0	0	117.7
13	V	29.3	Very low	29.1	Very low	129 Å²	129	139 Å²	139	78%	0.782	76%	0.756	S	S	*	*			trans	-146.4	111	166	-172	0	0	0	0	105.3
14	F	28.1	Very low	29.7	Very low	165 Å²	165	140.8 Å²	140.8	72%	0.724	76%	0.756	S	S	*	*				57.6	135.1	84.8	-72.1	-66.9	0	0	0	113.8
15	Q	30.8	Very low	29.4	Very low	153 Å²	153	140.8 Å²	140.8	72%	0.715	76%	0.756	S	S	*	*			cis	-163.2	173.4	10.5	-155.3	160.6	25	0	0	112.8
16	N	26.5	Very low	29.1	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	76%	0.758	S	S	*	*			trans	95.3	142.4	159.5	-66.1	-42	0	0	0	120.3
17	S	29.9	Very low	28.7	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	76%	0.763	S	S	*	*			cis	-169	169.4	-24.3	-109.4	0	0	0	0	112.1
18	C	26.3	Very low	28.7	Very low	111 Å²	111	142 Å²	142	75%	0.75	77%	0.767	S	S	*	*			trans	72.2	111.6	176.6	-59.4	0	0	0	0	116
19	L	29.2	Very low	28.4	Very low	166 Å²	166	144.4 Å²	144.4	87%	0.869	77%	0.771	S	S	*	*				91.2	117.8	56.9	-78.3	166.2	0	0	0	112.7
20	G	25.1	Very low	28.4	Very low	63 Å²	63	148.5 Å²	148.5	65%	0.649	78%	0.777	S	S	*	*			cis	173.1	177.5	-6.5	0	0	0	0	0	113.6
21	F	26.5	Very low	28.2	Very low	186 Å²	186	151.8 Å²	151.8	82%	0.816	78%	0.782	S	S	*	*			trans	39.4	135.6	156.7	-77.4	-104.1	0	0	0	120.2
22	R	25.4	Very low	28.1	Very low	224 Å²	224	151.8 Å²	151.8	85%	0.845	78%	0.775	S	S	*	*			cis	-162.7	165.2	20.5	-154.7	170.9	-158.2	166.1	3.5	110.7
23	S	26.6	Very low	27.8	Very low	101 Å²	101	153 Å²	153	71%	0.706	78%	0.783	S	S	*	*			trans	-107	-175.2	171.4	66.5	0	0	0	0	111.2
24	P	41.6	Very low	27.5	Very low	105 Å²	105	151.8 Å²	151.8	68%	0.682	78%	0.775	S	S	*	*			cis	-131.1	-164.1	-13.5	39.6	-21.4	0	0	0	113.3
25	L	29.1	Very low	27.6	Very low	168 Å²	168	150.2 Å²	150.2	88%	0.88	78%	0.779	S	S	*	*			trans	67.1	105.3	159.5	-68.4	167.6	0	0	0	120
26	S	27.2	Very low	27.3	Very low	112 Å²	112	154.3 Å²	154.3	78%	0.783	79%	0.789	S	S	*	*			trans	-154.7	101.4	149.6	64.2	0	0	0	0	114.7
27	V	27.4	Very low	27.5	Very low	139 Å²	139	153 Å²	153	84%	0.842	79%	0.79	S	S	*	*			trans	50.8	118	138.5	-177.1	0	0	0	0	120.6	K29	V27-K29 PolarHBondContact O-N 3.19Å
28	F	29.1	Very low	27.4	Very low	207 Å²	207	156 Å²	156	91%	0.908	80%	0.798	S	S	*	*			trans	-55.8	124.7	153.9	-93.2	-113.6	0	0	0	112.4
29	K	24.4	Very low	27.5	Very low	196 Å²	196	155 Å²	155	85%	0.852	79%	0.792	S	S	*	*			trans	-164.4	143.8	131.8	-122.6	171	-176.7	172.4	0	115.4	V27	V27-K29 PolarHBondContact O-N 3.19Å
30	R	28.1	Very low	27.9	Very low	232 Å²	232	152.6 Å²	152.6	88%	0.875	78%	0.78	S	S	*	*			trans	-32.5	137.4	171.7	-53.8	170	-178.2	167.1	-1.5	115.4
31	Y	24.3	Very low	28.9	Very low	208 Å²	208	157.5 Å²	157.5	82%	0.816	79%	0.786	S	S	*	*			trans	-145.2	147	133.6	-144.8	-104.2	0	0	0	112
32	K	24.3	Very low	30.5	Very low	150 Å²	150	150.8 Å²	150.8	65%	0.652	76%	0.761	S	S	*	*			trans	-22.4	127.8	-172.5	-65.4	179.5	173.8	-175.1	0	118.5
33	D	25.7	Very low	31.8	Very low	166 Å²	166	146.3 Å²	146.3	89%	0.888	75%	0.754	S	S	*	*			trans	-62.5	129.9	137.7	-73.8	-64.6	0	0	0	109.6
34	T	22.5	Very low	32.7	Very low	103 Å²	103	143.8 Å²	143.8	63%	0.632	74%	0.744	S	S	*	*			trans	-152.5	84.9	168.1	-58.1	0	0	0	0	109.2
35	T	29.7	Very low	32.6	Very low	132 Å²	132	145 Å²	145	81%	0.81	75%	0.754	S	S	*	*			trans	33.4	107.6	150.5	55.1	0	0	0	0	118.6
36	R	24.3	Very low	33.3	Very low	240 Å²	240	144.2 Å²	144.2	91%	0.906	75%	0.751	S	S	*	*			trans	-148.9	117.9	133.5	-149.1	170.2	-171.2	168.4	3	110.9
37	S	30.6	Very low	34.5	Very low	107 Å²	107	149 Å²	149	75%	0.748	75%	0.752	S	S	*	*			trans	-79.3	143	174.1	46.2	0	0	0	0	111.2
38	L	27.7	Very low	36.2	Very low	161 Å²	161	145.7 Å²	145.7	84%	0.843	73%	0.734	S	S	*	*			trans	178.9	116.6	166.6	-96.5	144	0	0	0	105.2
39	S	29	Very low	38	Very low	90 Å²	90	138.2 Å²	138.2	63%	0.629	71%	0.705	S	S	*	*			cis	-150.8	150.8	-0.4	44.3	0	0	0	0	110.5	E41	S39-E41 PolarHBondContact O-N 3.48Å
40	N	37.7	Very low	40.3	Very low	114 Å²	114	133.7 Å²	133.7	61%	0.61	69%	0.689	S	S	*	*			trans	-69.8	89	172	-79.7	12.7	0	0	0	111	C42	N40-C42 PolarHBondContact O-N 2.67Å
41	E	45.9	Very low	42.3	Very low	166 Å²	166	127 Å²	127	78%	0.776	68%	0.677	S	S	*	*			trans	-79.8	97.9	159.5	-71.5	-164.7	153.9	0	0	109.5	S39 L43	S39-E41 PolarHBondContact O-N 3.48Å; E41-L43 PolarHBondContact O-N 2.95Å
42	C	60	Low	44.5	Very low	45 Å²	45	121.9 Å²	121.9	30%	0.304	66%	0.663	S	S	.	*			trans	-49.6	126.4	153.6	-76.4	0	0	0	0	109.2	N40 G44 C181	N40-C42 PolarHBondContact O-N 2.67Å; C42-G44 PolarHBondContact O-N 2.96Å; C42-G44 VanDerWaalsContact O-N 3.09Å; C42-C181 HydrophobicContact CB-CB 3.98Å; C42-C181 WeakPolarHBondContact CB-SG 3.42Å; C42-C181 WeakPolarHBondContact SG-CB 3.49Å; C42-C181 CovalentContact SG-SG 2.02Å; C42-C181 PolarHBondContact SG-SG 2.98Å
43	L	52.8	Low	46.6	Very low	131 Å²	131	116.4 Å²	116.4	69%	0.686	65%	0.65	S	S	*	*			trans	-34	106.3	-164.1	-79.6	163.5	0	0	0	114.9	E41 S45	E41-L43 PolarHBondContact O-N 2.95Å; L43-S45 PolarHBondContact O-N 2.73Å
44	G	45.2	Very low	48.5	Very low	48 Å²	48	117.6 Å²	117.6	50%	0.495	66%	0.655	S	S	.	*			trans	-68.5	123	-179	0	0	0	0	0	113.5	C42 N46	C42-G44 PolarHBondContact O-N 2.96Å; C42-G44 VanDerWaalsContact O-N 3.09Å; G44-N46 PolarHBondContact O-N 3.18Å
45	S	39.8	Very low	51	Low	130 Å²	130	114.9 Å²	114.9	91%	0.909	64%	0.64	S	S	*	*	S	Bend	trans	56.5	4.9	155.3	-165.1	0	0	0	0	119.3	L43	L43-S45 PolarHBondContact O-N 2.73Å
46	N	42.8	Very low	53.8	Low	151 Å²	151	110.8 Å²	110.8	81%	0.807	61%	0.614	S	S	*	*			trans	-95.8	148.4	175.4	-82.2	-48.5	0	0	0	111.8	G44	G44-N46 PolarHBondContact O-N 3.18Å
47	R	53	Low	56.8	Low	213 Å²	213	100.3 Å²	100.3	80%	0.804	57%	0.574	S	S	*	*			trans	-64.1	145.4	-169.8	-61.8	175.1	-178.4	175.4	-1.4	111.2	V49	R47-V49 PolarHBondContact O-N 2.89Å; R47-V49 VanDerWaalsContact O-N 3.13Å
48	P	63.1	Low	59.6	Low	70 Å²	70	95.7 Å²	95.7	46%	0.455	54%	0.543	S	S	.	.	S	Bend	trans	-65.4	-14.9	176.8	28.2	-35.9	0	0	0	113.3	L59 D60 L82	P48-L59 HydrophobicContact CB-CD1 4.28Å; P48-L59 WeakPolarHBondContact O-CA 3.13Å; P48-D60 PolarHBondContact O-N 3.25Å; P48-L82 HydrophobicContact CG-CD1 4.07Å
49	V	66.8	Low	62.6	Low	50 Å²	50	88.2 Å²	88.2	30%	0.303	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.7	174.6	-175.2	0	0	0	0	110.9	R47 F57 A58 L59 L82	R47-V49 PolarHBondContact O-N 2.89Å; R47-V49 VanDerWaalsContact O-N 3.13Å; V49-F57 HydrophobicContact CG1-CB 3.94Å; V49-F57 HydrophobicContact CG1-CD2 4.08Å; V49-F57 HydrophobicContact CG1-CG 4.36Å; V49-A58 VanDerWaalsContact CA-O 3.32Å; V49-A58 WeakPolarHBondContact CA-O 3.21Å; V49-L59 HydrophobicContact CG2-CD1 4.22Å; V49-L82 HydrophobicContact CG2-CB 4.3Å; V49-L82 HydrophobicContact CG2-CD1 3.39Å; V49-L82 HydrophobicContact CG2-CG 4.47Å
50	I	72.4	Confident	65.5	Low	101 Å²	101	85.6 Å²	85.6	52%	0.518	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.5	168.2	-56.4	174.4	0	0	0	107.5	L52 F57 A58	I50-L52 HydrophobicContact CG2-CD2 4.24Å; I50-L52 PolarHBondContact O-N 2.75Å; I50-F57 CarbonylContact O-C 3.48Å; I50-F57 WeakPolarHBondContact O-CA 3.1Å; I50-A58 HydrophobicContact CB-CB 4.38Å; I50-A58 PolarHBondContact N-O 2.98Å; I50-A58 PolarHBondContact O-N 3.12Å
51	S	71.1	Confident	68.1	Low	90 Å²	90	80.2 Å²	80.2	63%	0.629	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	126.7	170.9	169	0	0	0	0	109.4	G53	S51-G53 PolarHBondContact OG-O 2.98Å; S51-G53 VanDerWaalsContact OG-O 3.08Å
52	L	70.9	Confident	70.4	Confident	101 Å²	101	75 Å²	75	53%	0.529	43%	0.427	S	S	.	.			trans	-103.7	-20.3	177.1	-63.4	177	0	0	0	111.8	I50 D56 A58	I50-L52 HydrophobicContact CG2-CD2 4.24Å; I50-L52 PolarHBondContact O-N 2.75Å; L52-D56 HydrophobicContact CB-CB 4.22Å; L52-D56 PolarHBondContact N-O 2.94Å; L52-A58 HydrophobicContact CD1-CB 4.01Å; L52-A58 HydrophobicContact CG-CB 4.42Å
53	G	68.5	Low	72	Confident	35 Å²	35	73 Å²	73	36%	0.361	41%	0.413	S	S	.	.	S	Bend	trans	-166.6	-162.1	174.6	0	0	0	0	0	112.5	S51 S55 D56	S51-G53 PolarHBondContact OG-O 2.98Å; S51-G53 VanDerWaalsContact OG-O 3.08Å; G53-S55 VanDerWaalsContact C-N 3.34Å; G53-D56 PolarHBondContact N-O 2.78Å
54	L	64.1	Low	73.8	Confident	192 Å²	192	69.7 Å²	69.7	100%	1.005	40%	0.4	S	S	*	.	S	Bend	trans	-73	-25	176	-71.2	169.9	0	0	0	113.3
55	S	76.1	Confident	75.9	Confident	46 Å²	46	67.7 Å²	67.7	32%	0.322	38%	0.379	S	S	.	.	S	Bend	trans	-117.7	-12.3	-178.9	49.6	0	0	0	0	113.8	G53 T189 H190	G53-S55 VanDerWaalsContact C-N 3.34Å; S55-T189 WeakPolarHBondContact O-CA 3.24Å; S55-T189 PolarHBondContact O-OG1 3.5Å; S55-H190 PolarHBondContact O-N 3.33Å
56	D	87.3	Confident	78.4	Confident	46 Å²	46	61.6 Å²	61.6	25%	0.246	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.3	-160.2	-60.9	3.1	0	0	0	110.2	L52 G53 L188 T189	L52-D56 HydrophobicContact CB-CB 4.22Å; L52-D56 PolarHBondContact N-O 2.94Å; G53-D56 PolarHBondContact N-O 2.78Å; D56-L188 WeakPolarHBondContact CA-O 3.38Å; D56-T189 VanDerWaalsContact OD1-CB 3.27Å; D56-T189 WeakPolarHBondContact OD1-CB 3.3Å; D56-T189 PolarHBondContact OD1-OG1 3Å
57	F	88.6	Confident	80.7	Confident	19 Å²	19	56.6 Å²	56.6	8%	0.083	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	147.8	-178.3	62.4	-83	0	0	0	111.6	V49 I50 V83 A87 L188 H190	V49-F57 HydrophobicContact CG1-CB 3.94Å; V49-F57 HydrophobicContact CG1-CD2 4.08Å; V49-F57 HydrophobicContact CG1-CG 4.36Å; I50-F57 CarbonylContact O-C 3.48Å; I50-F57 WeakPolarHBondContact O-CA 3.1Å; F57-V83 HydrophobicContact CZ-CG1 4.39Å; F57-V83 HydrophobicContact CZ-CG2 3.95Å; F57-A87 HydrophobicContact CZ-CB 4.48Å; F57-L188 HydrophobicContact CD1-CB 4.23Å; F57-L188 HydrophobicContact CD2-CB 4.07Å; F57-L188 HydrophobicContact CD2-CD1 4.2Å; F57-L188 HydrophobicContact CE1-CB 3.84Å; F57-L188 HydrophobicContact CE2-CB 3.68Å; F57-L188 HydrophobicContact CE2-CD1 3.85Å; F57-L188 HydrophobicContact CE2-CD2 3.98Å; F57-L188 HydrophobicContact CE2-CG 4.05Å; F57-L188 HydrophobicContact CG-CB 4.35Å; F57-L188 HydrophobicContact CZ-CB 3.55Å; F57-L188 HydrophobicContact CZ-CD2 3.93Å; F57-L188 HydrophobicContact CZ-CG 4.2Å; F57-L188 PolarHBondContact N-O 2.63Å; F57-L188 PolarHBondContact O-N 3.44Å; F57-L188 VanDerWaalsContact O-O 3.06Å; F57-H190 AromaticContact CE1-CD2 3.98Å; F57-H190 AromaticContact CE1-NE2 3.59Å
58	A	89.3	Confident	82.4	Confident	11 Å²	11	46.9 Å²	46.9	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.7	169	0	0	0	0	0	110.5	V49 I50 L52 T185 L186	V49-A58 VanDerWaalsContact CA-O 3.32Å; V49-A58 WeakPolarHBondContact CA-O 3.21Å; I50-A58 HydrophobicContact CB-CB 4.38Å; I50-A58 PolarHBondContact N-O 2.98Å; I50-A58 PolarHBondContact O-N 3.12Å; L52-A58 HydrophobicContact CD1-CB 4.01Å; L52-A58 HydrophobicContact CG-CB 4.42Å; A58-T185 HydrophobicContact CB-CG2 3.96Å; A58-L186 CarbonylContact C-O 3.49Å; A58-L186 WeakPolarHBondContact CA-O 3.48Å
59	L	89.9	Confident	83.5	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.5	173.2	178.6	64.3	0	0	0	108.5	P48 V49 I61 L82 F162 T185 L186 L188	P48-L59 HydrophobicContact CB-CD1 4.28Å; P48-L59 WeakPolarHBondContact O-CA 3.13Å; V49-L59 HydrophobicContact CG2-CD1 4.22Å; L59-I61 HydrophobicContact CD2-CD1 4.16Å; L59-I61 HydrophobicContact CD2-CG1 4.28Å; L59-I61 HydrophobicContact CG-CD1 4.4Å; L59-I61 HydrophobicContact CG-CG1 4.03Å; L59-L82 HydrophobicContact CD1-CD1 4.07Å; L59-F162 HydrophobicContact CD2-CD2 3.8Å; L59-F162 HydrophobicContact CD2-CE2 3.76Å; L59-T185 WeakPolarHBondContact O-CA 3.27Å; L59-L186 HydrophobicContact CB-CB 4.47Å; L59-L186 PolarHBondContact N-O 3.03Å; L59-L186 PolarHBondContact O-N 2.95Å; L59-L188 HydrophobicContact CB-CD1 3.72Å
60	D	90.4	Very high	84.4	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.182	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.9	179	-156.5	21.9	0	0	0	111	P48 R62 T185	P48-D60 PolarHBondContact O-N 3.25Å; D60-R62 VanDerWaalsContact CG-NE 3.33Å; D60-R62 IonicContact OD1-CZ 3.45Å; D60-R62 IonicContact OD1-NE 2.61Å; D60-R62 PolarHBondContact OD1-NE 3.06Å; D60-R62 IonicContact OD1-NH2 3.92Å; D60-R62 PolarHBondContact OD1-NH2 2.61Å; D60-R62 IonicContact OD2-CZ 3.94Å; D60-R62 VanDerWaalsContact OD2-CZ 3.31Å; D60-R62 IonicContact OD2-NE 3.89Å; D60-R62 PolarHBondContact OD2-NE 3.07Å; D60-R62 IonicContact OD2-NH2 3.8Å; D60-R62 PolarHBondContact OD2-NH2 3.22Å; D60-T185 HydrophobicContact CB-CG2 4.14Å; D60-T185 WeakPolarHBondContact OD1-CB 3.24Å; D60-T185 PolarHBondContact OD1-OG1 3.28Å
61	I	92.8	Very high	84.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	107.1	-174	-54.7	175.8	0	0	0	107.6	L59 M77 A79 L106 F162 L164 G183 V184 L186	L59-I61 HydrophobicContact CD2-CD1 4.16Å; L59-I61 HydrophobicContact CD2-CG1 4.28Å; L59-I61 HydrophobicContact CG-CD1 4.4Å; L59-I61 HydrophobicContact CG-CG1 4.03Å; I61-M77 HydrophobicContact CG2-SD 3.58Å; I61-M77 VanDerWaalsContact CG2-SD 3.58Å; I61-A79 HydrophobicContact CD1-CB 4.37Å; I61-A79 HydrophobicContact CG1-CB 4.09Å; I61-A79 HydrophobicContact CG2-CB 4.11Å; I61-L106 HydrophobicContact CD1-CD1 4.16Å; I61-F162 HydrophobicContact CD1-CB 3.62Å; I61-F162 HydrophobicContact CD1-CD2 3.84Å; I61-F162 HydrophobicContact CD1-CG 3.8Å; I61-L164 HydrophobicContact CG2-CB 3.85Å; I61-L164 HydrophobicContact CG2-CD2 4.14Å; I61-L164 WeakPolarHBondContact O-CD2 3.45Å; I61-G183 CarbonylContact O-C 3.58Å; I61-G183 WeakPolarHBondContact O-CA 3.28Å; I61-V184 PolarHBondContact N-O 3.09Å; I61-V184 PolarHBondContact O-N 2.78Å; I61-L186 HydrophobicContact CD1-CD1 3.61Å; I61-L186 HydrophobicContact CD1-CG 3.91Å
62	R	92.5	Very high	85.1	Confident	57 Å²	57	53.8 Å²	53.8	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.6	-171.3	-57	-58.4	-168.9	84.3	23.8	112.1	D60 M77 H95 C181 S182	D60-R62 VanDerWaalsContact CG-NE 3.33Å; D60-R62 IonicContact OD1-CZ 3.45Å; D60-R62 IonicContact OD1-NE 2.61Å; D60-R62 PolarHBondContact OD1-NE 3.06Å; D60-R62 IonicContact OD1-NH2 3.92Å; D60-R62 PolarHBondContact OD1-NH2 2.61Å; D60-R62 IonicContact OD2-CZ 3.94Å; D60-R62 VanDerWaalsContact OD2-CZ 3.31Å; D60-R62 IonicContact OD2-NE 3.89Å; D60-R62 PolarHBondContact OD2-NE 3.07Å; D60-R62 IonicContact OD2-NH2 3.8Å; D60-R62 PolarHBondContact OD2-NH2 3.22Å; R62-M77 WeakPolarHBondContact O-CE 3.41Å; R62-H95 VanDerWaalsContact CZ-CB 3.5Å; R62-C181 WeakPolarHBondContact CD-O 3.42Å; R62-C181 PolarHBondContact NH1-O 3.03Å; R62-S182 WeakPolarHBondContact CA-O 3.1Å
63	M	93.8	Very high	85.7	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.274	C	S	.	.			trans	-57.8	137.8	167.4	-75.7	-66	163.3	0	0	111.3	G65 V66 L75 M77 L164 V166 C181 S182	M63-G65 PolarHBondContact O-N 3.19Å; M63-V66 HydrophobicContact CB-CG1 4.16Å; M63-V66 HydrophobicContact CB-CG2 3.89Å; M63-V66 HydrophobicContact CG-CG2 4.26Å; M63-V66 HydrophobicContact SD-CG1 4.22Å; M63-L75 HydrophobicContact CE-CB 4.1Å; M63-L75 WeakPolarHBondContact CE-O 3.4Å; M63-L75 HydrophobicContact SD-CB 4.22Å; M63-M77 HydrophobicContact CE-CB 4.12Å; M63-M77 HydrophobicContact CE-CG 3.68Å; M63-M77 HydrophobicContact SD-CB 4.05Å; M63-M77 HydrophobicContact SD-CG 3.73Å; M63-L164 HydrophobicContact CE-CD2 4.43Å; M63-L164 HydrophobicContact CE-CG 4.38Å; M63-L164 WeakPolarHBondContact CE-O 3.33Å; M63-V166 HydrophobicContact CE-CB 4.01Å; M63-V166 HydrophobicContact CE-CG2 3.68Å; M63-V166 HydrophobicContact CG-CB 4.42Å; M63-V166 HydrophobicContact CG-CG2 3.91Å; M63-C181 WeakPolarHBondContact O-CA 3.29Å; M63-C181 PolarHBondContact O-SG 2.81Å; M63-S182 PolarHBondContact N-O 3.16Å
64	P	91.4	Very high	86.7	Confident	62 Å²	62	51.8 Å²	51.8	40%	0.403	27%	0.27	S	S	.	.	S	Bend	trans	-80.7	44.8	-170.8	34.6	-40.2	0	0	0	113.7	V66 N117 Y118	P64-V66 HydrophobicContact CG-CG1 4.26Å; P64-N117 HydrophobicContact CG-CB 4.23Å; P64-Y118 HydrophobicContact CG-CD1 3.53Å; P64-Y118 HydrophobicContact CG-CE1 4.43Å; P64-Y118 HydrophobicContact CG-CG 4.12Å
65	G	90.1	Very high	88.1	Confident	6 Å²	6	43.3 Å²	43.3	6%	0.062	23%	0.225	C	C	.	.	S	Bend	trans	74.1	55	-178.5	0	0	0	0	0	111.9	M63 K179 D180 C181	M63-G65 PolarHBondContact O-N 3.19Å; G65-K179 WeakPolarHBondContact O-CD 3.37Å; G65-K179 VanDerWaalsContact O-CG 3.3Å; G65-K179 WeakPolarHBondContact O-CG 3.37Å; G65-K179 PolarHBondContact O-NZ 2.73Å; G65-D180 CarbonylContact C-O 3.58Å; G65-D180 WeakPolarHBondContact CA-O 3.44Å; G65-D180 PolarHBondContact N-O 3.17Å; G65-C181 WeakPolarHBondContact CA-SG 3.21Å; G65-C181 PolarHBondContact N-SG 3.01Å
66	V	91.3	Very high	89	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-80.5	158.7	-176.4	-61.1	0	0	0	0	111.6	M63 P64 L75 Y118 Y168 K179 D180	M63-V66 HydrophobicContact CB-CG1 4.16Å; M63-V66 HydrophobicContact CB-CG2 3.89Å; M63-V66 HydrophobicContact CG-CG2 4.26Å; M63-V66 HydrophobicContact SD-CG1 4.22Å; P64-V66 HydrophobicContact CG-CG1 4.26Å; V66-L75 HydrophobicContact CB-CD1 3.77Å; V66-L75 HydrophobicContact CG1-CD1 4.03Å; V66-L75 HydrophobicContact CG2-CD1 3.83Å; V66-Y118 HydrophobicContact CG1-CD1 3.84Å; V66-Y118 HydrophobicContact CG1-CD2 3.84Å; V66-Y118 HydrophobicContact CG1-CE1 3.98Å; V66-Y118 HydrophobicContact CG1-CE2 4.01Å; V66-Y118 HydrophobicContact CG1-CG 3.75Å; V66-Y168 HydrophobicContact CG2-CE2 4.15Å; V66-Y168 VanDerWaalsContact CG2-OH 3.26Å; V66-Y168 WeakPolarHBondContact CG2-OH 3.41Å; V66-K179 WeakPolarHBondContact O-CA 3.22Å; V66-D180 HydrophobicContact CG2-CB 4.4Å; V66-D180 PolarHBondContact N-O 2.84Å; V66-D180 PolarHBondContact O-N 2.86Å
67	T	91.5	Very high	89.4	Confident	47 Å²	47	39.9 Å²	39.9	29%	0.288	20%	0.203	S	C	.	.			trans	-136.9	94.4	171.4	-53.9	0	0	0	0	108	F174 H178	T67-F174 HydrophobicContact CG2-CB 4.33Å; T67-F174 HydrophobicContact CG2-CD1 4.17Å; T67-F174 HydrophobicContact CG2-CG 4.48Å; T67-H178 PolarHBondContact OG1-O 3.23Å
68	P	88.9	Confident	89.7	Confident	8 Å²	8	40.4 Å²	40.4	5%	0.052	21%	0.209	C	C	.	.			trans	-53.6	146.5	174.8	-26.6	35.4	0	0	0	112.4	L75 Y168 I171 F174	P68-L75 HydrophobicContact CG-CD1 4.41Å; P68-Y168 HydrophobicContact CB-CG 4.33Å; P68-Y168 HydrophobicContact CG-CD1 3.77Å; P68-Y168 HydrophobicContact CG-CD2 3.62Å; P68-Y168 HydrophobicContact CG-CE1 4.16Å; P68-Y168 HydrophobicContact CG-CE2 4.02Å; P68-Y168 HydrophobicContact CG-CG 3.47Å; P68-Y168 VanDerWaalsContact CG-CG 3.47Å; P68-I171 HydrophobicContact CB-CG2 3.82Å; P68-F174 HydrophobicContact CB-CD2 4.39Å; P68-F174 HydrophobicContact CB-CE2 4.25Å; P68-F174 HydrophobicContact CG-CD2 4.26Å; P68-F174 HydrophobicContact CG-CE2 3.7Å; P68-F174 HydrophobicContact CG-CZ 3.99Å
69	K	86.1	Confident	89.8	Confident	190 Å²	190	40.5 Å²	40.5	83%	0.826	21%	0.21	S	C	*	.			trans	-111.9	-18.4	-174.7	-64.6	176.6	-173.3	164	0	114.1	I171	K69-I171 WeakPolarHBondContact O-CD1 3.23Å
70	Q	85.4	Confident	89.9	Confident	146 Å²	146	43 Å²	43	68%	0.682	23%	0.227	S	C	*	.	S	Bend	trans	-132.6	155.4	179.8	-55.1	-171.7	32.2	0	0	108.7	T73 I171	Q70-T73 PolarHBondContact O-OG1 3.03Å; Q70-I171 VanDerWaalsContact O-CG2 3.26Å; Q70-I171 WeakPolarHBondContact O-CG2 3.33Å
71	S	80.6	Confident	89.6	Confident	62 Å²	62	42.2 Å²	42.2	43%	0.434	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	159.8	167.7	-59	0	0	0	0	110.5	T73 G169	S71-T73 VanDerWaalsContact C-N 3.26Å; S71-T73 PolarHBondContact O-N 3.16Å; S71-G169 VanDerWaalsContact CA-O 3.24Å; S71-G169 WeakPolarHBondContact CA-O 3.18Å; S71-G169 VanDerWaalsContact CB-O 3.24Å; S71-G169 WeakPolarHBondContact CB-O 3.41Å
72	D	77.4	Confident	88.9	Confident	59 Å²	59	46.7 Å²	46.7	32%	0.316	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	33.9	-178.7	-59.6	-17.2	0	0	0	114.4	Y74 H167 Y168 G169 H362	D72-Y74 WeakPolarHBondContact O-CD2 3.31Å; D72-H167 VanDerWaalsContact CA-NE2 3.34Å; D72-H167 WeakPolarHBondContact CA-NE2 3.5Å; D72-H167 IonicContact OD1-NE2 3.25Å; D72-Y168 CarbonylContact C-O 3.56Å; D72-Y168 VanDerWaalsContact CA-O 3.3Å; D72-Y168 WeakPolarHBondContact CA-O 3.3Å; D72-Y168 PolarHBondContact N-O 2.95Å; D72-G169 PolarHBondContact N-O 2.72Å; D72-H362 IonicContact OD2-NE2 3.68Å
73	T	84.1	Confident	88.3	Confident	21 Å²	21	45.7 Å²	45.7	13%	0.129	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.9	177.1	-56.5	0	0	0	0	111.2	Q70 S71 L75 Y168	Q70-T73 PolarHBondContact O-OG1 3.03Å; S71-T73 VanDerWaalsContact C-N 3.26Å; S71-T73 PolarHBondContact O-N 3.16Å; T73-L75 HydrophobicContact CG2-CD2 3.76Å; T73-L75 HydrophobicContact CG2-CG 3.96Å; T73-Y168 PolarHBondContact N-O 2.85Å; T73-Y168 VanDerWaalsContact N-O 3.08Å; T73-Y168 PolarHBondContact O-N 3.47Å
74	Y	88.3	Confident	87.4	Confident	73 Å²	73	53 Å²	53	29%	0.286	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.2	173.7	-68.9	-104.8	0	0	0	110.6	D72 H103 C121 Q165 H167	D72-Y74 WeakPolarHBondContact O-CD2 3.31Å; Y74-H103 AromaticContact CE1-CE1 3.64Å; Y74-H103 AromaticContact CE1-NE2 3.6Å; Y74-C121 PolarHBondContact O-N 2.99Å; Y74-Q165 HydrophobicContact CD1-CG 4.34Å; Y74-H167 HydrophobicContact CD1-CB 3.87Å; Y74-H167 AromaticContact CD2-CD2 3.57Å; Y74-H167 HydrophobicContact CE1-CB 3.67Å; Y74-H167 AromaticContact CE1-CD2 3.68Å; Y74-H167 AromaticContact CE1-CG 3.61Å; Y74-H167 AromaticContact CE2-CD2 3.17Å; Y74-H167 WeakPolarHBondContact CE2-CD2 3.46Å; Y74-H167 AromaticContact CE2-CG 3.95Å; Y74-H167 AromaticContact CE2-NE2 3.41Å; Y74-H167 WeakPolarHBondContact CE2-NE2 3.21Å; Y74-H167 HydrophobicContact CG-CB 4.48Å; Y74-H167 AromaticContact CG-CD2 3.95Å; Y74-H167 AromaticContact CZ-CD2 3.22Å; Y74-H167 AromaticContact CZ-CE1 3.94Å; Y74-H167 AromaticContact CZ-CG 3.5Å; Y74-H167 AromaticContact CZ-ND1 3.92Å; Y74-H167 AromaticContact CZ-NE2 3.54Å; Y74-H167 PolarHBondContact OH-CE1 2.96Å; Y74-H167 PolarHBondContact OH-NE2 3.2Å
75	L	93.8	Very high	86.9	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.4	175.7	-60.6	-178.2	0	0	0	110.9	M63 V66 P68 T73 Y118 W119 C121 Q165 V166 Y168	M63-L75 HydrophobicContact CE-CB 4.1Å; M63-L75 WeakPolarHBondContact CE-O 3.4Å; M63-L75 HydrophobicContact SD-CB 4.22Å; V66-L75 HydrophobicContact CB-CD1 3.77Å; V66-L75 HydrophobicContact CG1-CD1 4.03Å; V66-L75 HydrophobicContact CG2-CD1 3.83Å; P68-L75 HydrophobicContact CG-CD1 4.41Å; T73-L75 HydrophobicContact CG2-CD2 3.76Å; T73-L75 HydrophobicContact CG2-CG 3.96Å; L75-Y118 HydrophobicContact CD1-CD2 4.21Å; L75-Y118 HydrophobicContact CD1-CE2 4.26Å; L75-Y118 HydrophobicContact CD2-CD2 4.21Å; L75-Y118 HydrophobicContact CD2-CE2 4.33Å; L75-W119 WeakPolarHBondContact CA-O 3.47Å; L75-C121 PolarHBondContact O-SG 3.01Å; L75-Q165 CarbonylContact O-C 3.55Å; L75-Q165 WeakPolarHBondContact O-CA 3.39Å; L75-V166 PolarHBondContact N-O 2.96Å; L75-V166 PolarHBondContact O-N 2.84Å; L75-Y168 HydrophobicContact CB-CE2 4.23Å; L75-Y168 HydrophobicContact CD1-CD2 4.35Å; L75-Y168 HydrophobicContact CD1-CE2 3.96Å; L75-Y168 HydrophobicContact CG-CD2 4.38Å; L75-Y168 HydrophobicContact CG-CE2 4.24Å
76	C	95.5	Very high	86.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.3	179.3	-84.5	0	0	0	0	110.3	Y118 W119 C121 L164	C76-Y118 CarbonylContact O-C 3.58Å; C76-Y118 WeakPolarHBondContact O-CA 3.48Å; C76-Y118 WeakPolarHBondContact O-CB 3.43Å; C76-W119 HydrophobicContact CB-CD2 3.9Å; C76-W119 VanDerWaalsContact CB-CE2 3.42Å; C76-W119 HydrophobicContact CB-CG 4.34Å; C76-W119 HydrophobicContact CB-CH2 4.3Å; C76-W119 HydrophobicContact CB-CZ2 3.64Å; C76-W119 PolarHBondContact N-O 3.17Å; C76-W119 PolarHBondContact O-N 2.92Å; C76-C121 VanDerWaalsContact CA-SG 3.52Å; C76-C121 HydrophobicContact CB-CB 4.17Å; C76-C121 WeakPolarHBondContact CB-SG 3.47Å; C76-C121 PolarHBondContact N-SG 3.15Å; C76-C121 VanDerWaalsContact SG-CA 3.6Å; C76-C121 WeakPolarHBondContact SG-CB 3.43Å; C76-C121 CovalentContact SG-SG 2.04Å; C76-C121 PolarHBondContact SG-SG 2.93Å; C76-L164 CarbonylContact C-O 3.56Å; C76-L164 WeakPolarHBondContact CA-O 3.24Å
77	M	95.8	Very high	86.9	Confident	20 Å²	20	57.6 Å²	57.6	10%	0.099	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	153.2	171.1	70.2	78.7	57.6	0	0	110.9	I61 R62 M63 N117 V163 L164	I61-M77 HydrophobicContact CG2-SD 3.58Å; I61-M77 VanDerWaalsContact CG2-SD 3.58Å; R62-M77 WeakPolarHBondContact O-CE 3.41Å; M63-M77 HydrophobicContact CE-CB 4.12Å; M63-M77 HydrophobicContact CE-CG 3.68Å; M63-M77 HydrophobicContact SD-CB 4.05Å; M63-M77 HydrophobicContact SD-CG 3.73Å; M77-N117 WeakPolarHBondContact CB-O 3.39Å; M77-V163 CarbonylContact O-C 3.53Å; M77-V163 WeakPolarHBondContact O-CA 3.48Å; M77-L164 HydrophobicContact CG-CB 4.2Å; M77-L164 HydrophobicContact CG-CD2 4.23Å; M77-L164 PolarHBondContact N-O 2.83Å; M77-L164 PolarHBondContact O-N 3.03Å; M77-L164 HydrophobicContact SD-CB 3.97Å; M77-L164 HydrophobicContact SD-CD2 4.19Å
78	S	94.5	Very high	87	Confident	30 Å²	30	55.5 Å²	55.5	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.4	-179.4	62.9	0	0	0	0	113.3	F162	S78-F162 CarbonylContact C-O 3.59Å; S78-F162 VanDerWaalsContact CA-O 3.3Å; S78-F162 WeakPolarHBondContact CA-O 3.26Å
79	A	92.1	Very high	87.2	Confident	14 Å²	14	55.1 Å²	55.1	12%	0.116	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.8	167.3	0	0	0	0	0	110	I61 F162	I61-A79 HydrophobicContact CD1-CB 4.37Å; I61-A79 HydrophobicContact CG1-CB 4.09Å; I61-A79 HydrophobicContact CG2-CB 4.11Å; A79-F162 PolarHBondContact N-O 3.36Å; A79-F162 PolarHBondContact O-N 2.55Å
80	P	90.6	Very high	87.6	Confident	57 Å²	57	47.6 Å²	47.6	37%	0.37	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	148.5	172.3	28.7	-34	0	0	0	110.6	L82 Y161	P80-L82 HydrophobicContact CG-CD2 4.32Å; P80-L82 PolarHBondContact O-N 3.32Å; P80-Y161 HydrophobicContact CB-CD1 3.98Å; P80-Y161 HydrophobicContact CB-CE1 3.69Å; P80-Y161 HydrophobicContact CG-CE1 4.47Å
81	L	85.6	Confident	87.8	Confident	16 Å²	16	44 Å²	44	8%	0.084	24%	0.243	C	C	.	.			trans	-67.4	125.7	163.1	-174.3	67.9	0	0	0	108.2	V83 V153 K160 F162 L188	L81-V83 HydrophobicContact CD1-CG2 4.08Å; L81-V83 HydrophobicContact CD2-CG2 4.09Å; L81-V83 WeakPolarHBondContact CD2-O 3.32Å; L81-V83 HydrophobicContact CG-CG2 3.84Å; L81-V83 WeakPolarHBondContact CG-O 3.49Å; L81-V83 PolarHBondContact O-N 2.91Å; L81-V153 HydrophobicContact CD1-CG2 4.21Å; L81-V153 HydrophobicContact CD2-CB 4.31Å; L81-V153 HydrophobicContact CD2-CG2 4.13Å; L81-K160 WeakPolarHBondContact CB-O 3.38Å; L81-K160 PolarHBondContact N-O 2.87Å; L81-F162 HydrophobicContact CD1-CE2 3.89Å; L81-F162 HydrophobicContact CD1-CZ 4.36Å; L81-L188 HydrophobicContact CD1-CD2 3.72Å
82	L	78.3	Confident	88.3	Confident	95 Å²	95	41.8 Å²	41.8	50%	0.497	23%	0.225	S	C	.	.	S	Bend	trans	-89.7	21.3	-173.2	-67	167.8	0	0	0	113.4	P48 V49 L59 P80	P48-L82 HydrophobicContact CG-CD1 4.07Å; V49-L82 HydrophobicContact CG2-CB 4.3Å; V49-L82 HydrophobicContact CG2-CD1 3.39Å; V49-L82 HydrophobicContact CG2-CG 4.47Å; L59-L82 HydrophobicContact CD1-CD1 4.07Å; P80-L82 HydrophobicContact CG-CD2 4.32Å; P80-L82 PolarHBondContact O-N 3.32Å
83	V	78.5	Confident	88.8	Confident	36 Å²	36	44.7 Å²	44.7	22%	0.218	24%	0.235	C	C	.	.			trans	-141.9	132.9	173.6	-67.9	0	0	0	0	108.3	F57 L81 A87	F57-V83 HydrophobicContact CZ-CG1 4.39Å; F57-V83 HydrophobicContact CZ-CG2 3.95Å; L81-V83 HydrophobicContact CD1-CG2 4.08Å; L81-V83 HydrophobicContact CD2-CG2 4.09Å; L81-V83 WeakPolarHBondContact CD2-O 3.32Å; L81-V83 HydrophobicContact CG-CG2 3.84Å; L81-V83 WeakPolarHBondContact CG-O 3.49Å; L81-V83 PolarHBondContact O-N 2.91Å; V83-A87 HydrophobicContact CG2-CB 4.23Å
84	D	74.7	Confident	89	Confident	155 Å²	155	45.6 Å²	45.6	83%	0.829	24%	0.242	S	C	*	.	S	Bend	trans	-78.3	-28.1	175.9	-58.6	-65.4	0	0	0	111.8	G155	D84-G155 VanDerWaalsContact O-CA 3.29Å; D84-G155 WeakPolarHBondContact O-CA 3.4Å; D84-G155 PolarHBondContact O-N 3.28Å
85	D	82.3	Confident	89.1	Confident	123 Å²	123	44.9 Å²	44.9	66%	0.658	24%	0.241	S	C	*	.	S	Bend	trans	-69.2	159.2	178.5	-73.8	-46.3	0	0	0	113.5	A87	D85-A87 PolarHBondContact O-N 3.09Å
86	E	88.8	Confident	88.8	Confident	44 Å²	44	45.4 Å²	45.4	21%	0.206	25%	0.247	C	C	.	.			trans	-58.1	129.5	174.7	-167.6	-172.9	-179.2	0	0	111.5	Y88 R152 H190 K192	E86-Y88 HydrophobicContact CG-CE1 4.32Å; E86-Y88 HydrophobicContact CG-CE2 4.48Å; E86-Y88 WeakPolarHBondContact OE1-CE1 3.4Å; E86-Y88 VanDerWaalsContact OE1-CZ 3.25Å; E86-Y88 PolarHBondContact OE1-OH 3.31Å; E86-Y88 PolarHBondContact OE2-OH 3.11Å; E86-R152 HydrophobicContact CG-CG 4.13Å; E86-R152 IonicContact OE1-CZ 3.68Å; E86-R152 IonicContact OE1-NE 3.12Å; E86-R152 PolarHBondContact OE1-NE 3.22Å; E86-R152 IonicContact OE1-NH2 3.18Å; E86-R152 PolarHBondContact OE1-NH2 2.89Å; E86-H190 PolarHBondContact O-ND1 3.17Å; E86-K192 IonicContact OE2-NZ 2.82Å; E86-K192 PolarHBondContact OE2-NZ 2.92Å
87	A	92.3	Very high	88.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	164.9	174.6	0	0	0	0	0	111	F57 V83 D85 V153 L188	F57-A87 HydrophobicContact CZ-CB 4.48Å; V83-A87 HydrophobicContact CG2-CB 4.23Å; D85-A87 PolarHBondContact O-N 3.09Å; A87-V153 HydrophobicContact CB-CG2 4.18Å; A87-V153 PolarHBondContact N-O 3.09Å; A87-V153 WeakPolarHBondContact O-CG2 3.17Å; A87-V153 PolarHBondContact O-N 3.31Å; A87-V153 VanDerWaalsContact O-O 3.13Å; A87-L188 HydrophobicContact CB-CD2 4.42Å
88	Y	93.5	Very high	87.6	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123	-177.3	-51.3	-83.1	0	0	0	111.3	E86 F151 R152 L188 T189 Q191 K192 Q193 I196	E86-Y88 HydrophobicContact CG-CE1 4.32Å; E86-Y88 HydrophobicContact CG-CE2 4.48Å; E86-Y88 WeakPolarHBondContact OE1-CE1 3.4Å; E86-Y88 VanDerWaalsContact OE1-CZ 3.25Å; E86-Y88 PolarHBondContact OE1-OH 3.31Å; E86-Y88 PolarHBondContact OE2-OH 3.11Å; Y88-F151 CarbonylContact C-O 3.51Å; Y88-F151 VanDerWaalsContact CA-O 3.28Å; Y88-F151 WeakPolarHBondContact CA-O 3.39Å; Y88-R152 HydrophobicContact CD1-CB 4.32Å; Y88-R152 HydrophobicContact CE1-CB 4.26Å; Y88-R152 HydrophobicContact CE1-CG 4.5Å; Y88-L188 VanDerWaalsContact O-CA 3.28Å; Y88-L188 WeakPolarHBondContact O-CA 3.15Å; Y88-T189 WeakPolarHBondContact CD2-O 3.12Å; Y88-T189 PolarHBondContact N-O 2.94Å; Y88-T189 PolarHBondContact O-N 2.82Å; Y88-Q191 VanDerWaalsContact CD2-O 3.25Å; Y88-Q191 WeakPolarHBondContact CD2-O 3.07Å; Y88-K192 HydrophobicContact CE2-CB 4.16Å; Y88-K192 HydrophobicContact CE2-CG 4.01Å; Y88-K192 WeakPolarHBondContact OH-CD 3.41Å; Y88-K192 WeakPolarHBondContact OH-CG 3.35Å; Y88-Q193 HydrophobicContact CD1-CG 4.43Å; Y88-Q193 HydrophobicContact CD2-CG 4.5Å; Y88-Q193 HydrophobicContact CG-CG 3.99Å; Y88-I196 HydrophobicContact CD1-CD1 3.66Å; Y88-I196 HydrophobicContact CE1-CD1 3.49Å; Y88-I196 VanDerWaalsContact CE1-CD1 3.49Å
89	V	93.7	Very high	87	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	118.3	171.1	-171.9	0	0	0	0	108.5	F92 L145 G150 F151 V153 F162 L186 H187 L188	V89-F92 HydrophobicContact CB-CZ 4.5Å; V89-F92 HydrophobicContact CG1-CD1 4.32Å; V89-F92 HydrophobicContact CG1-CE1 3.69Å; V89-F92 HydrophobicContact CG1-CE2 4.26Å; V89-F92 HydrophobicContact CG1-CZ 3.67Å; V89-L145 WeakPolarHBondContact O-CD1 3.3Å; V89-G150 CarbonylContact O-C 3.51Å; V89-G150 WeakPolarHBondContact O-CA 3.21Å; V89-F151 HydrophobicContact CB-CB 4.37Å; V89-F151 PolarHBondContact N-O 3.02Å; V89-F151 PolarHBondContact O-N 3.26Å; V89-V153 HydrophobicContact CG2-CG1 4.04Å; V89-V153 HydrophobicContact CG2-CG2 4.02Å; V89-F162 HydrophobicContact CG2-CE1 4.16Å; V89-F162 HydrophobicContact CG2-CZ 3.95Å; V89-L186 HydrophobicContact CG1-CB 4.31Å; V89-L186 HydrophobicContact CG1-CD2 4.4Å; V89-H187 WeakPolarHBondContact CA-O 3.21Å; V89-L188 HydrophobicContact CG2-CD2 4.02Å; V89-L188 HydrophobicContact CG2-CG 4.15Å
90	V	93.1	Very high	86.6	Confident	31 Å²	31	54.3 Å²	54.3	19%	0.188	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-12.3	-170.5	-68.5	0	0	0	0	114.6	H187 T189 Q193	V90-H187 HydrophobicContact CG2-CB 4.27Å; V90-H187 WeakPolarHBondContact CG2-O 3.4Å; V90-H187 PolarHBondContact N-O 2.96Å; V90-T189 HydrophobicContact CG1-CG2 3.94Å; V90-T189 HydrophobicContact CG2-CG2 4.27Å; V90-Q193 HydrophobicContact CG1-CG 3.89Å
91	D	90.9	Very high	86.4	Confident	72 Å²	72	51.6 Å²	51.6	39%	0.385	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	155.7	170	-161.5	12.4	0	0	0	111.6	H187	D91-H187 HydrophobicContact CB-CB 3.82Å; D91-H187 PolarHBondContact O-N 3.32Å
92	F	90.5	Very high	86.2	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.061	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122.7	-178.9	-61.8	-87.4	0	0	0	110.7	V89 L106 L133 Y134 L145 F151 V184 L186	V89-F92 HydrophobicContact CB-CZ 4.5Å; V89-F92 HydrophobicContact CG1-CD1 4.32Å; V89-F92 HydrophobicContact CG1-CE1 3.69Å; V89-F92 HydrophobicContact CG1-CE2 4.26Å; V89-F92 HydrophobicContact CG1-CZ 3.67Å; F92-L106 HydrophobicContact CD1-CD2 4.41Å; F92-L106 HydrophobicContact CE1-CD2 3.99Å; F92-L133 HydrophobicContact CE1-CB 4.4Å; F92-L133 HydrophobicContact CZ-CB 4.26Å; F92-Y134 HydrophobicContact CB-CD1 4.42Å; F92-Y134 HydrophobicContact CB-CD2 3.59Å; F92-Y134 HydrophobicContact CB-CE1 4.41Å; F92-Y134 HydrophobicContact CB-CE2 3.59Å; F92-Y134 HydrophobicContact CB-CG 4.03Å; F92-Y134 HydrophobicContact CD1-CD1 4.37Å; F92-Y134 AromaticContact CD1-CD2 3.99Å; F92-Y134 HydrophobicContact CD1-CD2 3.99Å; F92-Y134 AromaticContact CD1-CG 3.76Å; F92-Y134 HydrophobicContact CD1-CG 3.76Å; F92-Y134 AromaticContact CD2-CD2 3.86Å; F92-Y134 HydrophobicContact CD2-CD2 3.86Å; F92-Y134 HydrophobicContact CD2-CE2 4.5Å; F92-Y134 HydrophobicContact CD2-CG 4.43Å; F92-Y134 HydrophobicContact CE1-CG 4.29Å; F92-Y134 AromaticContact CG-CD2 3.56Å; F92-Y134 HydrophobicContact CG-CD2 3.56Å; F92-Y134 HydrophobicContact CG-CE2 4.1Å; F92-Y134 AromaticContact CG-CG 3.84Å; F92-Y134 HydrophobicContact CG-CG 3.84Å; F92-L145 HydrophobicContact CD2-CD1 4.5Å; F92-L145 HydrophobicContact CD2-CG 4.49Å; F92-L145 HydrophobicContact CE2-CD1 3.94Å; F92-L145 HydrophobicContact CE2-CG 4.17Å; F92-F151 HydrophobicContact CE2-CD2 4.06Å; F92-F151 AromaticContact CE2-CE2 3.96Å; F92-F151 HydrophobicContact CE2-CE2 3.96Å; F92-F151 AromaticContact CZ-CD2 3.83Å; F92-F151 HydrophobicContact CZ-CD2 3.83Å; F92-F151 AromaticContact CZ-CE2 3.95Å; F92-F151 HydrophobicContact CZ-CE2 3.95Å; F92-V184 HydrophobicContact CB-CG2 4.38Å; F92-L186 HydrophobicContact CD1-CD2 3.47Å; F92-L186 VanDerWaalsContact CD1-CD2 3.47Å; F92-L186 HydrophobicContact CE1-CD2 3.73Å
93	K	88.4	Confident	86.6	Confident	121 Å²	121	50 Å²	50	53%	0.526	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	102.5	-179.3	-171.3	-174.7	176.9	-162.2	0	111	H95 V184 T185	K93-H95 WeakPolarHBondContact CD-NE2 3.16Å; K93-H95 VanDerWaalsContact CE-NE2 3.31Å; K93-H95 WeakPolarHBondContact CE-NE2 3.33Å; K93-H95 PolarHBondContact NZ-NE2 3.05Å; K93-H95 PolarHBondContact O-CD2 3.26Å; K93-V184 WeakPolarHBondContact O-CA 3.19Å; K93-V184 WeakPolarHBondContact O-CG2 3.38Å; K93-T185 PolarHBondContact N-O 2.84Å; K93-T185 PolarHBondContact O-N 3.43Å
94	P	88.6	Confident	87.2	Confident	40 Å²	40	48.5 Å²	48.5	26%	0.26	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142	-179.5	30.3	-35.1	0	0	0	111.3	M104 Y134 W136	P94-M104 HydrophobicContact CB-CE 3.95Å; P94-Y134 HydrophobicContact CB-CE1 4.43Å; P94-Y134 WeakPolarHBondContact CD-OH 3.48Å; P94-Y134 WeakPolarHBondContact CG-OH 3.3Å; P94-W136 HydrophobicContact CB-CB 4.34Å; P94-W136 VanDerWaalsContact CB-CD1 3.44Å; P94-W136 HydrophobicContact CB-CG 3.87Å; P94-W136 HydrophobicContact CG-CG 4.47Å
95	H	89.4	Confident	88	Confident	57 Å²	57	41.6 Å²	41.6	26%	0.264	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	80.1	177.6	-79.8	-75.7	0	0	0	108.4	R62 K93 S182 G183 T185	R62-H95 VanDerWaalsContact CZ-CB 3.5Å; K93-H95 WeakPolarHBondContact CD-NE2 3.16Å; K93-H95 VanDerWaalsContact CE-NE2 3.31Å; K93-H95 WeakPolarHBondContact CE-NE2 3.33Å; K93-H95 PolarHBondContact NZ-NE2 3.05Å; K93-H95 PolarHBondContact O-CD2 3.26Å; H95-S182 CarbonylContact O-C 3.53Å; H95-S182 WeakPolarHBondContact O-CA 3.43Å; H95-S182 WeakPolarHBondContact O-CB 3.46Å; H95-G183 CarbonylContact C-O 3.47Å; H95-G183 WeakPolarHBondContact CA-O 3.42Å; H95-G183 PolarHBondContact N-O 3.15Å; H95-G183 PolarHBondContact O-N 3.24Å; H95-T185 PolarHBondContact CD2-OG1 3.21Å; H95-T185 VanDerWaalsContact CD2-OG1 3.32Å
96	A	86.9	Confident	88.5	Confident	24 Å²	24	35.8 Å²	35.8	20%	0.198	19%	0.187	C	C	.	.			trans	-107.5	136.9	-178.1	0	0	0	0	0	112	M98 V101 M104 W136	A96-M98 PolarHBondContact O-N 3.21Å; A96-V101 HydrophobicContact CB-CB 4.19Å; A96-V101 HydrophobicContact CB-CG1 4.21Å; A96-M104 HydrophobicContact CB-CE 3.87Å; A96-M104 HydrophobicContact CB-SD 4.09Å; A96-W136 HydrophobicContact CB-CD2 4.41Å; A96-W136 HydrophobicContact CB-CE3 4.12Å; A96-W136 HydrophobicContact CB-CH2 3.54Å; A96-W136 HydrophobicContact CB-CZ2 3.85Å; A96-W136 HydrophobicContact CB-CZ3 3.71Å
97	S	86.3	Confident	88.6	Confident	43 Å²	43	34.5 Å²	34.5	30%	0.301	18%	0.18	S	C	.	.			trans	-69.2	97.4	165	-70.9	0	0	0	0	109.3	D99 T100 V101 D180 S182	S97-D99 PolarHBondContact O-N 3.37Å; S97-T100 PolarHBondContact O-N 3.06Å; S97-T100 VanDerWaalsContact O-N 3.07Å; S97-V101 PolarHBondContact O-N 2.67Å; S97-D180 VanDerWaalsContact CB-OD2 3.23Å; S97-D180 WeakPolarHBondContact CB-OD2 3.37Å; S97-D180 PolarHBondContact OG-OD2 2.84Å; S97-S182 PolarHBondContact N-OG 3.06Å; S97-S182 PolarHBondContact OG-OG 2.94Å
98	M	81.6	Confident	88.6	Confident	88 Å²	88	34.5 Å²	34.5	43%	0.433	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.9	-170.3	-71.9	-63.7	-63.3	0	0	114.7	A96 W136 R138	A96-M98 PolarHBondContact O-N 3.21Å; M98-W136 HydrophobicContact SD-CH2 3.93Å; M98-W136 HydrophobicContact SD-CZ2 3.7Å; M98-R138 HydrophobicContact CE-CG 3.99Å; M98-R138 PolarHBondContact O-NE 2.86Å; M98-R138 VanDerWaalsContact O-NE 3.15Å; M98-R138 PolarHBondContact O-NH1 3.34Å; M98-R138 VanDerWaalsContact O-NH1 3.08Å; M98-R138 PolarHBondContact O-NH2 2.98Å
99	D	80.8	Confident	88.5	Confident	118 Å²	118	34.3 Å²	34.3	63%	0.631	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-29.7	179.7	-62.1	-41.4	0	0	0	112.9	S97 R138	S97-D99 PolarHBondContact O-N 3.37Å; D99-R138 PolarHBondContact O-NH1 3.12Å
100	T	84.3	Confident	88.4	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-35.6	-169.5	56.1	0	0	0	0	114.7	S97 H102 G169 D170 A173 F174	S97-T100 PolarHBondContact O-N 3.06Å; S97-T100 VanDerWaalsContact O-N 3.07Å; T100-H102 PolarHBondContact O-N 2.9Å; T100-G169 PolarHBondContact O-N 2.79Å; T100-G169 VanDerWaalsContact O-N 3.11Å; T100-D170 WeakPolarHBondContact CA-O 3.47Å; T100-A173 HydrophobicContact CG2-CB 3.63Å; T100-F174 HydrophobicContact CG2-CD2 4.06Å; T100-F174 HydrophobicContact CG2-CE2 3.63Å; T100-F174 HydrophobicContact CG2-CZ 4.1Å
101	V	85.6	Confident	88.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121.7	-177.1	-178.7	0	0	0	0	110.3	A96 S97 M104 W136 V166 Y168 S182	A96-V101 HydrophobicContact CB-CB 4.19Å; A96-V101 HydrophobicContact CB-CG1 4.21Å; S97-V101 PolarHBondContact O-N 2.67Å; V101-M104 HydrophobicContact CG1-CG 3.66Å; V101-M104 HydrophobicContact CG1-SD 4.25Å; V101-W136 HydrophobicContact CG1-CZ3 3.93Å; V101-V166 HydrophobicContact CB-CG1 4.43Å; V101-V166 HydrophobicContact CG1-CG1 3.7Å; V101-V166 HydrophobicContact CG2-CG1 3.85Å; V101-Y168 HydrophobicContact CG2-CD1 3.95Å; V101-Y168 HydrophobicContact CG2-CE1 3.65Å; V101-S182 WeakPolarHBondContact CG2-OG 3.24Å
102	H	82.6	Confident	88.5	Confident	53 Å²	53	38.5 Å²	38.5	25%	0.245	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-48.2	177.5	-176.6	-55.8	0	0	0	111.3	T100 R138 H167	T100-H102 PolarHBondContact O-N 2.9Å; H102-R138 WeakPolarHBondContact O-CB 3.39Å; H102-R138 PolarHBondContact O-N 3.03Å; H102-H167 AromaticContact CG-ND1 3.75Å; H102-H167 PolarHBondContact N-O 2.85Å
103	H	86.1	Confident	88.5	Confident	25 Å²	25	39.2 Å²	39.2	12%	0.116	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	162.9	176.4	70.4	-112.4	0	0	0	111.5	Y74 W136 A137 H167	Y74-H103 AromaticContact CE1-CE1 3.64Å; Y74-H103 AromaticContact CE1-NE2 3.6Å; H103-W136 CarbonylContact C-O 3.44Å; H103-W136 VanDerWaalsContact CA-O 3.28Å; H103-W136 WeakPolarHBondContact CA-O 3.33Å; H103-W136 VanDerWaalsContact CB-O 3.3Å; H103-W136 WeakPolarHBondContact CB-O 3.32Å; H103-A137 HydrophobicContact CB-CB 4.02Å; H103-H167 VanDerWaalsContact CE1-CB 3.49Å; H103-H167 WeakPolarHBondContact CE1-CB 3.4Å; H103-H167 AromaticContact CE1-CG 3.65Å; H103-H167 AromaticContact CE1-ND1 3.44Å; H103-H167 PolarHBondContact CE1-ND1 2.85Å; H103-H167 AromaticContact ND1-CG 3.91Å; H103-H167 AromaticContact ND1-ND1 3.41Å; H103-H167 PolarHBondContact ND1-ND1 3.45Å; H103-H167 PolarHBondContact O-N 2.83Å
104	M	90.1	Very high	88.7	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.4	175.1	-54.7	-176.5	-60.3	0	0	109.5	P94 A96 V101 W136 L164 Q165 V166 G183	P94-M104 HydrophobicContact CB-CE 3.95Å; A96-M104 HydrophobicContact CB-CE 3.87Å; A96-M104 HydrophobicContact CB-SD 4.09Å; V101-M104 HydrophobicContact CG1-CG 3.66Å; V101-M104 HydrophobicContact CG1-SD 4.25Å; M104-W136 HydrophobicContact CB-CB 4.46Å; M104-W136 HydrophobicContact CE-CB 4.1Å; M104-W136 HydrophobicContact CE-CD2 4.02Å; M104-W136 HydrophobicContact CE-CE3 4.02Å; M104-W136 HydrophobicContact CE-CG 4.07Å; M104-W136 HydrophobicContact CG-CE3 4.14Å; M104-W136 PolarHBondContact N-O 2.98Å; M104-W136 PolarHBondContact O-N 2.96Å; M104-L164 HydrophobicContact CB-CD1 4.41Å; M104-Q165 CarbonylContact C-O 3.55Å; M104-Q165 VanDerWaalsContact CA-O 3.23Å; M104-Q165 WeakPolarHBondContact CA-O 3.16Å; M104-V166 HydrophobicContact CG-CB 4.49Å; M104-V166 HydrophobicContact CG-CG1 4.15Å; M104-V166 HydrophobicContact CG-CG2 4.08Å; M104-V166 HydrophobicContact SD-CG2 4.28Å; M104-G183 VanDerWaalsContact CE-O 3.24Å; M104-G183 WeakPolarHBondContact CE-O 3.39Å
105	L	91.4	Very high	88.8	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.052	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.5	173.7	-53.7	-175	0	0	0	109.5	F107 I132 A135 Q165	L105-F107 HydrophobicContact CB-CD2 4.47Å; L105-F107 HydrophobicContact CB-CE2 3.59Å; L105-F107 HydrophobicContact CB-CZ 3.75Å; L105-F107 HydrophobicContact CD1-CE2 4.35Å; L105-F107 HydrophobicContact CD1-CZ 3.78Å; L105-F107 HydrophobicContact CG-CZ 4.43Å; L105-I132 HydrophobicContact CD2-CD1 4.29Å; L105-A135 HydrophobicContact CD2-CB 3.45Å; L105-A135 VanDerWaalsContact CD2-CB 3.45Å; L105-Q165 HydrophobicContact CB-CB 4.32Å; L105-Q165 PolarHBondContact N-O 2.8Å; L105-Q165 PolarHBondContact O-N 2.79Å
106	L	93	Very high	88.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.4	173.7	-170.9	83	0	0	0	110	I61 F92 L133 Y134 F162 V163 L164 V184 L186	I61-L106 HydrophobicContact CD1-CD1 4.16Å; F92-L106 HydrophobicContact CD1-CD2 4.41Å; F92-L106 HydrophobicContact CE1-CD2 3.99Å; L106-L133 HydrophobicContact CD2-CB 4.48Å; L106-L133 PolarHBondContact O-N 2.99Å; L106-Y134 PolarHBondContact N-O 3.15Å; L106-Y134 PolarHBondContact O-N 2.85Å; L106-F162 HydrophobicContact CD1-CB 4.25Å; L106-F162 HydrophobicContact CD2-CD1 4.25Å; L106-V163 WeakPolarHBondContact CA-O 3.33Å; L106-L164 HydrophobicContact CD1-CB 4.16Å; L106-V184 HydrophobicContact CD1-CG1 3.9Å; L106-V184 HydrophobicContact CD2-CG1 4.2Å; L106-V184 HydrophobicContact CG-CG1 4.49Å; L106-L186 HydrophobicContact CD2-CD1 4.2Å; L106-L186 HydrophobicContact CD2-CD2 3.61Å; L106-L186 HydrophobicContact CD2-CG 4.48Å
107	F	92.4	Very high	89	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.8	179.2	-52.8	-91.6	0	0	0	110.6	L105 T125 N131 I132 F162 V163 Q165	L105-F107 HydrophobicContact CB-CD2 4.47Å; L105-F107 HydrophobicContact CB-CE2 3.59Å; L105-F107 HydrophobicContact CB-CZ 3.75Å; L105-F107 HydrophobicContact CD1-CE2 4.35Å; L105-F107 HydrophobicContact CD1-CZ 3.78Å; L105-F107 HydrophobicContact CG-CZ 4.43Å; F107-T125 HydrophobicContact CB-CG2 4.45Å; F107-T125 HydrophobicContact CD2-CG2 3.48Å; F107-T125 VanDerWaalsContact CD2-CG2 3.48Å; F107-T125 HydrophobicContact CE2-CG2 3.77Å; F107-T125 HydrophobicContact CG-CG2 3.97Å; F107-T125 HydrophobicContact CZ-CG2 4.48Å; F107-N131 CarbonylContact C-O 3.49Å; F107-N131 VanDerWaalsContact CA-O 3.31Å; F107-N131 WeakPolarHBondContact CA-O 3.28Å; F107-I132 HydrophobicContact CD1-CB 3.85Å; F107-I132 HydrophobicContact CD1-CG1 4.3Å; F107-I132 HydrophobicContact CE1-CB 3.9Å; F107-I132 HydrophobicContact CE1-CD1 4.37Å; F107-I132 HydrophobicContact CE1-CG1 4.14Å; F107-F162 CarbonylContact O-C 3.57Å; F107-F162 VanDerWaalsContact O-CA 3.28Å; F107-F162 WeakPolarHBondContact O-CA 3.23Å; F107-V163 PolarHBondContact N-O 2.83Å; F107-V163 PolarHBondContact O-N 2.96Å; F107-Q165 HydrophobicContact CE2-CB 4.13Å
108	G	91.9	Very high	89.4	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.2	163.5	0	0	0	0	0	110.1	N131 S159 Y161	G108-N131 PolarHBondContact N-O 3.35Å; G108-N131 WeakPolarHBondContact O-CB 3.29Å; G108-N131 PolarHBondContact O-N 3.45Å; G108-N131 PolarHBondContact O-ND2 2.83Å; G108-S159 WeakPolarHBondContact CA-OG 3.34Å; G108-S159 PolarHBondContact O-OG 2.72Å; G108-Y161 WeakPolarHBondContact CA-O 3.33Å
109	C	90.9	Very high	90	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-174.9	175.9	66.1	0	0	0	0	110.6	C126 D128 S159 K160 Y161	C109-C126 HydrophobicContact CB-CB 3.57Å; C109-C126 WeakPolarHBondContact CB-SG 3.49Å; C109-C126 WeakPolarHBondContact SG-CB 3.41Å; C109-C126 CovalentContact SG-SG 2.04Å; C109-C126 PolarHBondContact SG-SG 2.82Å; C109-D128 WeakPolarHBondContact CB-OD1 3.42Å; C109-S159 PolarHBondContact N-OG 2.76Å; C109-K160 PolarHBondContact O-N 2.93Å; C109-K160 VanDerWaalsContact O-N 3.15Å; C109-Y161 PolarHBondContact N-O 2.82Å; C109-Y161 PolarHBondContact O-N 2.87Å; C109-Y161 VanDerWaalsContact O-O 3.12Å
110	N	91	Very high	90.4	Very high	66 Å²	66	44.6 Å²	44.6	35%	0.353	23%	0.23	S	C	.	.	S	Bend	trans	-112.9	-26.6	-177.5	-60.1	-64	0	0	0	113.1	D128 K160 Y161	N110-D128 WeakPolarHBondContact CB-OD2 3.4Å; N110-D128 VanDerWaalsContact N-CG 3.31Å; N110-D128 PolarHBondContact N-OD1 3.08Å; N110-D128 PolarHBondContact N-OD2 3.06Å; N110-D128 PolarHBondContact ND2-OD2 2.95Å; N110-K160 PolarHBondContact OD1-N 2.89Å; N110-Y161 WeakPolarHBondContact O-CD2 3.48Å; N110-Y161 WeakPolarHBondContact O-CE2 3.36Å
111	E	92.8	Very high	90.5	Very high	111 Å²	111	44.9 Å²	44.9	52%	0.519	23%	0.232	S	C	.	.	S	Bend	trans	-131	101.1	175	-70.8	-161.1	-155.7	0	0	110.8	C126 K127 D128	E111-C126 CarbonylContact O-C 3.55Å; E111-C126 WeakPolarHBondContact O-CA 3.45Å; E111-C126 WeakPolarHBondContact O-CB 3.39Å; E111-K127 HydrophobicContact CB-CB 4.14Å; E111-K127 HydrophobicContact CB-CD 4.35Å; E111-K127 HydrophobicContact CB-CG 4.42Å; E111-K127 PolarHBondContact O-N 2.94Å; E111-K127 IonicContact OE2-NZ 3.31Å; E111-D128 PolarHBondContact N-OD1 2.94Å
112	P	93.9	Very high	90.2	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.091	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-55.8	147.7	167.1	-24.7	35.2	0	0	0	112	S114 W119 K127 Y161 V163	P112-S114 VanDerWaalsContact C-N 3.31Å; P112-S114 PolarHBondContact O-N 2.82Å; P112-W119 HydrophobicContact CB-CH2 3.96Å; P112-K127 WeakPolarHBondContact O-CE 3.37Å; P112-Y161 HydrophobicContact CG-CD1 3.76Å; P112-Y161 HydrophobicContact CG-CD2 4.37Å; P112-Y161 HydrophobicContact CG-CE1 4.42Å; P112-Y161 HydrophobicContact CG-CG 3.73Å; P112-V163 HydrophobicContact CB-CG2 3.96Å; P112-V163 HydrophobicContact CG-CG2 4.02Å
113	S	91.6	Very high	90.1	Very high	29 Å²	29	56 Å²	56	20%	0.203	29%	0.288	C	S	.	.	S	Bend	trans	-60.1	-39.3	-178	-70.6	0	0	0	0	113.2	G124 T125 C126 K127	S113-G124 WeakPolarHBondContact CB-O 3.22Å; S113-G124 WeakPolarHBondContact OG-CA 3.24Å; S113-G124 PolarHBondContact OG-O 2.84Å; S113-T125 PolarHBondContact N-O 2.83Å; S113-T125 PolarHBondContact OG-N 3.29Å; S113-C126 VanDerWaalsContact OG-C 3.23Å; S113-C126 WeakPolarHBondContact OG-CA 3.44Å; S113-C126 PolarHBondContact OG-N 2.92Å; S113-C126 VanDerWaalsContact OG-N 3.13Å; S113-C126 PolarHBondContact OG-O 2.8Å; S113-K127 VanDerWaalsContact O-CE 3.25Å; S113-K127 WeakPolarHBondContact O-CE 3.36Å
114	S	92.6	Very high	89.8	Confident	23 Å²	23	55.9 Å²	55.9	16%	0.161	29%	0.294	C	S	.	.			trans	-122.4	156.9	176.1	-173.4	0	0	0	0	112	P112 E116	P112-S114 VanDerWaalsContact C-N 3.31Å; P112-S114 PolarHBondContact O-N 2.82Å; S114-E116 PolarHBondContact OG-N 3.28Å
115	T	90.1	Very high	89.7	Confident	139 Å²	139	56.9 Å²	56.9	85%	0.853	30%	0.3	S	S	*	.			trans	-101.1	7.5	171.8	55.5	0	0	0	0	112.7
116	E	90.8	Very high	89.6	Confident	133 Å²	133	57.2 Å²	57.2	62%	0.621	30%	0.304	S	S	*	.	S	Bend	trans	-74.2	160.4	173.8	-64.7	-155.9	177.9	0	0	112.4	S114 Y118	S114-E116 PolarHBondContact OG-N 3.28Å; E116-Y118 PolarHBondContact O-N 3.45Å
117	N	88.6	Confident	89.3	Confident	137 Å²	137	63.5 Å²	63.5	73%	0.733	33%	0.331	S	S	*	.	S	Bend	trans	-58.4	-32.3	-179.5	-65.1	-47.2	0	0	0	112.8	P64 M77	P64-N117 HydrophobicContact CG-CB 4.23Å; M77-N117 WeakPolarHBondContact CB-O 3.39Å
118	Y	94.6	Very high	88.9	Confident	100 Å²	100	64.2 Å²	64.2	39%	0.392	34%	0.335	S	S	.	.	S	Bend	trans	-159	155.9	166.2	71.6	-81	0	0	0	107.6	P64 V66 L75 C76 E116	P64-Y118 HydrophobicContact CG-CD1 3.53Å; P64-Y118 HydrophobicContact CG-CE1 4.43Å; P64-Y118 HydrophobicContact CG-CG 4.12Å; V66-Y118 HydrophobicContact CG1-CD1 3.84Å; V66-Y118 HydrophobicContact CG1-CD2 3.84Å; V66-Y118 HydrophobicContact CG1-CE1 3.98Å; V66-Y118 HydrophobicContact CG1-CE2 4.01Å; V66-Y118 HydrophobicContact CG1-CG 3.75Å; L75-Y118 HydrophobicContact CD1-CD2 4.21Å; L75-Y118 HydrophobicContact CD1-CE2 4.26Å; L75-Y118 HydrophobicContact CD2-CD2 4.21Å; L75-Y118 HydrophobicContact CD2-CE2 4.33Å; C76-Y118 CarbonylContact O-C 3.58Å; C76-Y118 WeakPolarHBondContact O-CA 3.48Å; C76-Y118 WeakPolarHBondContact O-CB 3.43Å; E116-Y118 PolarHBondContact O-N 3.45Å
119	W	94.4	Very high	88.3	Confident	10 Å²	10	68.4 Å²	68.4	4%	0.038	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	177.9	178.7	66.8	101.6	0	0	0	110.5	L75 C76 P112 G124 V163	L75-W119 WeakPolarHBondContact CA-O 3.47Å; C76-W119 HydrophobicContact CB-CD2 3.9Å; C76-W119 VanDerWaalsContact CB-CE2 3.42Å; C76-W119 HydrophobicContact CB-CG 4.34Å; C76-W119 HydrophobicContact CB-CH2 4.3Å; C76-W119 HydrophobicContact CB-CZ2 3.64Å; C76-W119 PolarHBondContact N-O 3.17Å; C76-W119 PolarHBondContact O-N 2.92Å; P112-W119 HydrophobicContact CB-CH2 3.96Å; W119-G124 PolarHBondContact NE1-O 2.8Å; W119-V163 HydrophobicContact CH2-CG1 3.95Å; W119-V163 HydrophobicContact CH2-CG2 4.45Å; W119-V163 HydrophobicContact CZ2-CG1 3.96Å
120	D	90.6	Very high	87.9	Confident	62 Å²	62	70.9 Å²	70.9	33%	0.332	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.9	174.6	-159.6	-53.6	0	0	0	110	D122 E123	D120-D122 PolarHBondContact O-N 3.45Å; D120-D122 VanDerWaalsContact O-N 3.15Å; D120-D122 PolarHBondContact OD1-N 3.43Å; D120-E123 WeakPolarHBondContact O-CB 3.41Å; D120-E123 PolarHBondContact O-N 3.36Å; D120-E123 VanDerWaalsContact O-N 3.07Å
121	C	86	Confident	87.7	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.061	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-66.1	-17.5	-174.8	-63.8	0	0	0	0	114	Y74 L75 C76 E123 G124 Q165	Y74-C121 PolarHBondContact O-N 2.99Å; L75-C121 PolarHBondContact O-SG 3.01Å; C76-C121 VanDerWaalsContact CA-SG 3.52Å; C76-C121 HydrophobicContact CB-CB 4.17Å; C76-C121 WeakPolarHBondContact CB-SG 3.47Å; C76-C121 PolarHBondContact N-SG 3.15Å; C76-C121 VanDerWaalsContact SG-CA 3.6Å; C76-C121 WeakPolarHBondContact SG-CB 3.43Å; C76-C121 CovalentContact SG-SG 2.04Å; C76-C121 PolarHBondContact SG-SG 2.93Å; C121-E123 PolarHBondContact O-N 2.91Å; C121-G124 CarbonylContact O-C 3.6Å; C121-G124 WeakPolarHBondContact O-CA 3.2Å; C121-G124 PolarHBondContact O-N 2.94Å; C121-Q165 VanDerWaalsContact SG-CG 3.56Å; C121-Q165 PolarHBondContact SG-NE2 2.91Å; C121-Q165 VanDerWaalsContact SG-NE2 3.4Å
122	D	79.3	Confident	87.4	Confident	146 Å²	146	64.1 Å²	64.1	78%	0.781	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-67.3	-19	174.6	-75	2.6	0	0	0	112.1	D120 G124	D120-D122 PolarHBondContact O-N 3.45Å; D120-D122 VanDerWaalsContact O-N 3.15Å; D120-D122 PolarHBondContact OD1-N 3.43Å; D122-G124 PolarHBondContact O-N 2.72Å
123	E	81.1	Confident	87.1	Confident	141 Å²	141	63.9 Å²	63.9	66%	0.659	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-75.6	-5.8	168.1	-56.7	-179.6	167.7	0	0	112.8	D120 C121	D120-E123 WeakPolarHBondContact O-CB 3.41Å; D120-E123 PolarHBondContact O-N 3.36Å; D120-E123 VanDerWaalsContact O-N 3.07Å; C121-E123 PolarHBondContact O-N 2.91Å
124	G	79.3	Confident	86.9	Confident	23 Å²	23	62.8 Å²	62.8	24%	0.237	33%	0.327	C	S	.	.			trans	113.6	161.2	-178.4	0	0	0	0	0	113.6	S113 W119 C121 D122	S113-G124 WeakPolarHBondContact CB-O 3.22Å; S113-G124 WeakPolarHBondContact OG-CA 3.24Å; S113-G124 PolarHBondContact OG-O 2.84Å; W119-G124 PolarHBondContact NE1-O 2.8Å; C121-G124 CarbonylContact O-C 3.6Å; C121-G124 WeakPolarHBondContact O-CA 3.2Å; C121-G124 PolarHBondContact O-N 2.94Å; D122-G124 PolarHBondContact O-N 2.72Å
125	T	87.8	Confident	86.6	Confident	23 Å²	23	61.7 Å²	61.7	14%	0.141	32%	0.32	C	S	.	.	S	Bend	trans	-100.2	-52.9	177.7	-59.2	0	0	0	0	112	F107 S113 V163	F107-T125 HydrophobicContact CB-CG2 4.45Å; F107-T125 HydrophobicContact CD2-CG2 3.48Å; F107-T125 VanDerWaalsContact CD2-CG2 3.48Å; F107-T125 HydrophobicContact CE2-CG2 3.77Å; F107-T125 HydrophobicContact CG-CG2 3.97Å; F107-T125 HydrophobicContact CZ-CG2 4.48Å; S113-T125 PolarHBondContact N-O 2.83Å; S113-T125 PolarHBondContact OG-N 3.29Å; T125-V163 HydrophobicContact CG2-CB 4.17Å; T125-V163 HydrophobicContact CG2-CG1 3.69Å
126	C	88.3	Confident	86.5	Confident	18 Å²	18	56.4 Å²	56.4	12%	0.122	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-135.1	158	171.4	-56.3	0	0	0	0	108.6	C109 E111 S113 D128	C109-C126 HydrophobicContact CB-CB 3.57Å; C109-C126 WeakPolarHBondContact CB-SG 3.49Å; C109-C126 WeakPolarHBondContact SG-CB 3.41Å; C109-C126 CovalentContact SG-SG 2.04Å; C109-C126 PolarHBondContact SG-SG 2.82Å; E111-C126 CarbonylContact O-C 3.55Å; E111-C126 WeakPolarHBondContact O-CA 3.45Å; E111-C126 WeakPolarHBondContact O-CB 3.39Å; S113-C126 VanDerWaalsContact OG-C 3.23Å; S113-C126 WeakPolarHBondContact OG-CA 3.44Å; S113-C126 PolarHBondContact OG-N 2.92Å; S113-C126 VanDerWaalsContact OG-N 3.13Å; S113-C126 PolarHBondContact OG-O 2.8Å; C126-D128 VanDerWaalsContact CB-O 3.24Å; C126-D128 WeakPolarHBondContact CB-O 3.33Å
127	K	86.9	Confident	86.1	Confident	132 Å²	132	50.1 Å²	50.1	57%	0.574	26%	0.255	S	S	*	.	S	Bend	trans	-82.9	-37.2	171.7	-52.3	-177.9	-166.8	163.5	0	111	E111 P112 S113	E111-K127 HydrophobicContact CB-CB 4.14Å; E111-K127 HydrophobicContact CB-CD 4.35Å; E111-K127 HydrophobicContact CB-CG 4.42Å; E111-K127 PolarHBondContact O-N 2.94Å; E111-K127 IonicContact OE2-NZ 3.31Å; P112-K127 WeakPolarHBondContact O-CE 3.37Å; S113-K127 VanDerWaalsContact O-CE 3.25Å; S113-K127 WeakPolarHBondContact O-CE 3.36Å
128	D	84.7	Confident	85.5	Confident	32 Å²	32	48 Å²	48	17%	0.171	24%	0.237	C	C	.	.	S	Bend	trans	-87.8	178.8	166.8	74.3	-52.3	0	0	0	111.6	C109 N110 E111 C126 S130	C109-D128 WeakPolarHBondContact CB-OD1 3.42Å; N110-D128 WeakPolarHBondContact CB-OD2 3.4Å; N110-D128 VanDerWaalsContact N-CG 3.31Å; N110-D128 PolarHBondContact N-OD1 3.08Å; N110-D128 PolarHBondContact N-OD2 3.06Å; N110-D128 PolarHBondContact ND2-OD2 2.95Å; E111-D128 PolarHBondContact N-OD1 2.94Å; C126-D128 VanDerWaalsContact CB-O 3.24Å; C126-D128 WeakPolarHBondContact CB-O 3.33Å; D128-S130 PolarHBondContact O-N 3.11Å; D128-S130 VanDerWaalsContact O-N 3.15Å
129	K	78.4	Confident	84.4	Confident	89 Å²	89	48.4 Å²	48.4	39%	0.387	25%	0.246	S	C	.	.			trans	-60.9	113.1	-173.6	-162.7	171.4	-128.9	153.3	0	111.8	N131 Y326 E533	K129-N131 PolarHBondContact O-N 2.9Å; K129-N131 VanDerWaalsContact O-N 3.13Å; K129-N131 PolarHBondContact O-ND2 3Å; K129-Y326 HydrophobicContact CD-CD1 4.36Å; K129-Y326 HydrophobicContact CD-CE1 4.07Å; K129-E533 IonicContact NZ-OE1 2.7Å; K129-E533 IonicContact NZ-OE2 2.86Å; K129-E533 PolarHBondContact NZ-OE2 2.77Å
130	S	84.2	Confident	83.4	Confident	51 Å²	51	48.7 Å²	48.7	36%	0.357	25%	0.251	S	S	.	.			trans	-77	94.7	-179.9	51.3	0	0	0	0	112.3	D128 I132	D128-S130 PolarHBondContact O-N 3.11Å; D128-S130 VanDerWaalsContact O-N 3.15Å; S130-I132 PolarHBondContact O-N 3.48Å
131	N	85.4	Confident	82.6	Confident	32 Å²	32	49.8 Å²	49.8	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	103.8	-179.5	-52.7	-83.9	0	0	0	109.8	F107 G108 K129 L133 Y326	F107-N131 CarbonylContact C-O 3.49Å; F107-N131 VanDerWaalsContact CA-O 3.31Å; F107-N131 WeakPolarHBondContact CA-O 3.28Å; G108-N131 PolarHBondContact N-O 3.35Å; G108-N131 WeakPolarHBondContact O-CB 3.29Å; G108-N131 PolarHBondContact O-N 3.45Å; G108-N131 PolarHBondContact O-ND2 2.83Å; K129-N131 PolarHBondContact O-N 2.9Å; K129-N131 VanDerWaalsContact O-N 3.13Å; K129-N131 PolarHBondContact O-ND2 3Å; N131-L133 PolarHBondContact O-N 3.42Å; N131-Y326 HydrophobicContact CB-CD2 4.36Å; N131-Y326 WeakPolarHBondContact OD1-CD2 3.46Å
132	I	87.6	Confident	81.7	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.3	177.3	-168.9	172.8	0	0	0	111	L105 F107 S130 A135 M199 F269 Y313	L105-I132 HydrophobicContact CD2-CD1 4.29Å; F107-I132 HydrophobicContact CD1-CB 3.85Å; F107-I132 HydrophobicContact CD1-CG1 4.3Å; F107-I132 HydrophobicContact CE1-CB 3.9Å; F107-I132 HydrophobicContact CE1-CD1 4.37Å; F107-I132 HydrophobicContact CE1-CG1 4.14Å; S130-I132 PolarHBondContact O-N 3.48Å; I132-A135 HydrophobicContact CD1-CB 4.41Å; I132-M199 HydrophobicContact CG2-CE 4.08Å; I132-M199 HydrophobicContact CG2-CG 4.07Å; I132-M199 HydrophobicContact CG2-SD 4.28Å; I132-M199 WeakPolarHBondContact O-CE 3.41Å; I132-F269 HydrophobicContact CD1-CE2 3.89Å; I132-F269 HydrophobicContact CD1-CZ 4.25Å; I132-F269 HydrophobicContact CG1-CE2 4.2Å; I132-F269 HydrophobicContact CG2-CZ 4.23Å; I132-Y313 HydrophobicContact CG2-CD1 3.54Å; I132-Y313 HydrophobicContact CG2-CE1 3.65Å; I132-Y313 HydrophobicContact CG2-CG 4.48Å
133	L	86.8	Confident	81.3	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.052	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-33.6	-179.3	-58.1	-179.7	0	0	0	112.1	F92 L106 N131 F151 F162 M315	F92-L133 HydrophobicContact CE1-CB 4.4Å; F92-L133 HydrophobicContact CZ-CB 4.26Å; L106-L133 HydrophobicContact CD2-CB 4.48Å; L106-L133 PolarHBondContact O-N 2.99Å; N131-L133 PolarHBondContact O-N 3.42Å; L133-F151 HydrophobicContact CD2-CB 4.35Å; L133-F151 HydrophobicContact CD2-CD1 3.84Å; L133-F151 HydrophobicContact CD2-CE1 4.22Å; L133-F151 HydrophobicContact CD2-CG 4.03Å; L133-F151 WeakPolarHBondContact O-CE2 3.38Å; L133-F162 HydrophobicContact CD1-CD1 3.89Å; L133-F162 HydrophobicContact CD1-CE1 3.65Å; L133-M315 VanDerWaalsContact O-CE 3.31Å; L133-M315 WeakPolarHBondContact O-CE 3.38Å
134	Y	87.8	Confident	81.4	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.02	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	147.3	-176.2	-179.8	-108	0	0	0	111.2	F92 P94 L106 W136 V184	F92-Y134 HydrophobicContact CB-CD1 4.42Å; F92-Y134 HydrophobicContact CB-CD2 3.59Å; F92-Y134 HydrophobicContact CB-CE1 4.41Å; F92-Y134 HydrophobicContact CB-CE2 3.59Å; F92-Y134 HydrophobicContact CB-CG 4.03Å; F92-Y134 HydrophobicContact CD1-CD1 4.37Å; F92-Y134 AromaticContact CD1-CD2 3.99Å; F92-Y134 HydrophobicContact CD1-CD2 3.99Å; F92-Y134 AromaticContact CD1-CG 3.76Å; F92-Y134 HydrophobicContact CD1-CG 3.76Å; F92-Y134 AromaticContact CD2-CD2 3.86Å; F92-Y134 HydrophobicContact CD2-CD2 3.86Å; F92-Y134 HydrophobicContact CD2-CE2 4.5Å; F92-Y134 HydrophobicContact CD2-CG 4.43Å; F92-Y134 HydrophobicContact CE1-CG 4.29Å; F92-Y134 AromaticContact CG-CD2 3.56Å; F92-Y134 HydrophobicContact CG-CD2 3.56Å; F92-Y134 HydrophobicContact CG-CE2 4.1Å; F92-Y134 AromaticContact CG-CG 3.84Å; F92-Y134 HydrophobicContact CG-CG 3.84Å; P94-Y134 HydrophobicContact CB-CE1 4.43Å; P94-Y134 WeakPolarHBondContact CD-OH 3.48Å; P94-Y134 WeakPolarHBondContact CG-OH 3.3Å; L106-Y134 PolarHBondContact N-O 3.15Å; L106-Y134 PolarHBondContact O-N 2.85Å; Y134-W136 HydrophobicContact CE1-CB 3.76Å; Y134-V184 HydrophobicContact CD1-CG2 4.16Å; Y134-V184 HydrophobicContact CE1-CG2 4.01Å
135	A	86.8	Confident	81.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.7	170.8	0	0	0	0	0	109.6	L105 I132 F269	L105-A135 HydrophobicContact CD2-CB 3.45Å; L105-A135 VanDerWaalsContact CD2-CB 3.45Å; I132-A135 HydrophobicContact CD1-CB 4.41Å; A135-F269 HydrophobicContact CB-CD2 3.58Å; A135-F269 HydrophobicContact CB-CE2 3.82Å
136	W	87.5	Confident	82	Confident	28 Å²	28	50.6 Å²	50.6	11%	0.106	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.7	170.1	178.5	89.8	0	0	0	109.3	P94 A96 M98 V101 H103 M104 Y134 R138	P94-W136 HydrophobicContact CB-CB 4.34Å; P94-W136 VanDerWaalsContact CB-CD1 3.44Å; P94-W136 HydrophobicContact CB-CG 3.87Å; P94-W136 HydrophobicContact CG-CG 4.47Å; A96-W136 HydrophobicContact CB-CD2 4.41Å; A96-W136 HydrophobicContact CB-CE3 4.12Å; A96-W136 HydrophobicContact CB-CH2 3.54Å; A96-W136 HydrophobicContact CB-CZ2 3.85Å; A96-W136 HydrophobicContact CB-CZ3 3.71Å; M98-W136 HydrophobicContact SD-CH2 3.93Å; M98-W136 HydrophobicContact SD-CZ2 3.7Å; V101-W136 HydrophobicContact CG1-CZ3 3.93Å; H103-W136 CarbonylContact C-O 3.44Å; H103-W136 VanDerWaalsContact CA-O 3.28Å; H103-W136 WeakPolarHBondContact CA-O 3.33Å; H103-W136 VanDerWaalsContact CB-O 3.3Å; H103-W136 WeakPolarHBondContact CB-O 3.32Å; M104-W136 HydrophobicContact CB-CB 4.46Å; M104-W136 HydrophobicContact CE-CB 4.1Å; M104-W136 HydrophobicContact CE-CD2 4.02Å; M104-W136 HydrophobicContact CE-CE3 4.02Å; M104-W136 HydrophobicContact CE-CG 4.07Å; M104-W136 HydrophobicContact CG-CE3 4.14Å; M104-W136 PolarHBondContact N-O 2.98Å; M104-W136 PolarHBondContact O-N 2.96Å; Y134-W136 HydrophobicContact CE1-CB 3.76Å; W136-R138 HydrophobicContact CH2-CB 3.89Å; W136-R138 HydrophobicContact CH2-CG 4.44Å; W136-R138 HydrophobicContact CZ3-CB 4.28Å
137	A	82.1	Confident	82.1	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.9	169.6	0	0	0	0	0	110.2	H103 N139 A140 P266 A268	H103-A137 HydrophobicContact CB-CB 4.02Å; A137-N139 PolarHBondContact O-N 3.32Å; A137-A140 HydrophobicContact CB-CB 4.2Å; A137-A140 WeakPolarHBondContact O-CB 3.35Å; A137-A140 PolarHBondContact O-N 3.23Å; A137-P266 HydrophobicContact CB-CB 3.7Å; A137-A268 HydrophobicContact CB-CB 4.06Å
138	R	75.3	Confident	82.4	Confident	92 Å²	92	54.6 Å²	54.6	35%	0.347	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	130.9	178.9	-170.7	177	177.4	169.2	5.8	109.9	M98 D99 H102 W136 A140	M98-R138 HydrophobicContact CE-CG 3.99Å; M98-R138 PolarHBondContact O-NE 2.86Å; M98-R138 VanDerWaalsContact O-NE 3.15Å; M98-R138 PolarHBondContact O-NH1 3.34Å; M98-R138 VanDerWaalsContact O-NH1 3.08Å; M98-R138 PolarHBondContact O-NH2 2.98Å; D99-R138 PolarHBondContact O-NH1 3.12Å; H102-R138 WeakPolarHBondContact O-CB 3.39Å; H102-R138 PolarHBondContact O-N 3.03Å; W136-R138 HydrophobicContact CH2-CB 3.89Å; W136-R138 HydrophobicContact CH2-CG 4.44Å; W136-R138 HydrophobicContact CZ3-CB 4.28Å; R138-A140 PolarHBondContact O-N 3.17Å
139	N	73.2	Confident	82.9	Confident	108 Å²	108	53.1 Å²	53.1	58%	0.578	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	5.3	-177.8	-45.7	-35.9	0	0	0	116.5	A137	A137-N139 PolarHBondContact O-N 3.32Å
140	A	72.6	Confident	83.6	Confident	17 Å²	17	48.9 Å²	48.9	14%	0.14	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-81.1	150.8	173.1	0	0	0	0	0	112.2	A137 R138 P266 A268	A137-A140 HydrophobicContact CB-CB 4.2Å; A137-A140 WeakPolarHBondContact O-CB 3.35Å; A137-A140 PolarHBondContact O-N 3.23Å; R138-A140 PolarHBondContact O-N 3.17Å; A140-P266 HydrophobicContact CB-CB 4.28Å; A140-A268 HydrophobicContact CB-CB 3.51Å
141	P	72.8	Confident	84.1	Confident	84 Å²	84	46.7 Å²	46.7	55%	0.545	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-60.8	136.8	169.9	-21.2	33.2	0	0	0	111.5	T143	P141-T143 PolarHBondContact O-N 2.97Å
142	P	68.6	Low	84.4	Confident	85 Å²	85	48.1 Å²	48.1	55%	0.552	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-75.2	116.2	179.2	29.1	-33.3	0	0	0	111	R144	P142-R144 PolarHBondContact O-N 3.42Å
143	T	71.1	Confident	84.6	Confident	10 Å²	10	48 Å²	48	6%	0.061	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-60.8	130.6	171.4	-27.6	0	0	0	0	109.9	P141 A233 F269 M315	P141-T143 PolarHBondContact O-N 2.97Å; T143-A233 HydrophobicContact CG2-CB 3.68Å; T143-F269 HydrophobicContact CG2-CB 3.83Å; T143-F269 WeakPolarHBondContact OG1-CB 3.37Å; T143-F269 PolarHBondContact OG1-O 2.71Å; T143-M315 HydrophobicContact CG2-SD 4.33Å
144	R	81.9	Confident	84.6	Confident	196 Å²	196	47.7 Å²	47.7	74%	0.74	24%	0.236	S	C	*	.			trans	-119.7	143.5	172.6	-67.9	-174.4	178.9	-175	-0.6	109.7	P142	P142-R144 PolarHBondContact O-N 3.42Å
145	L	88.8	Confident	84.5	Confident	24 Å²	24	48.6 Å²	48.6	13%	0.126	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70.8	141.5	173.1	-66.8	-179.4	0	0	0	110.7	V89 F92 V149 F151 F232	V89-L145 WeakPolarHBondContact O-CD1 3.3Å; F92-L145 HydrophobicContact CD2-CD1 4.5Å; F92-L145 HydrophobicContact CD2-CG 4.49Å; F92-L145 HydrophobicContact CE2-CD1 3.94Å; F92-L145 HydrophobicContact CE2-CG 4.17Å; L145-V149 HydrophobicContact CD2-CG1 4.43Å; L145-F151 HydrophobicContact CD1-CD2 4.29Å; L145-F151 HydrophobicContact CD2-CD2 4.47Å; L145-F151 HydrophobicContact CD2-CE2 3.97Å; L145-F232 HydrophobicContact CD2-CE2 3.89Å; L145-F232 HydrophobicContact CD2-CZ 3.6Å
146	P	91.3	Very high	84.1	Confident	45 Å²	45	57.8 Å²	57.8	29%	0.292	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.4	151.7	170.5	-20.5	31.7	0	0	0	111.6	G148 V149 F232 Y317	P146-G148 PolarHBondContact O-N 3.3Å; P146-V149 HydrophobicContact CB-CB 4.37Å; P146-V149 HydrophobicContact CB-CG2 3.8Å; P146-V149 HydrophobicContact CG-CG2 4.1Å; P146-V149 WeakPolarHBondContact O-CB 3.38Å; P146-V149 PolarHBondContact O-N 3.43Å; P146-F232 HydrophobicContact CG-CB 4.26Å; P146-F232 HydrophobicContact CG-CD1 4.43Å; P146-F232 HydrophobicContact CG-CD2 4.07Å; P146-F232 HydrophobicContact CG-CG 4.01Å; P146-Y317 HydrophobicContact CG-CD1 4.18Å; P146-Y317 HydrophobicContact CG-CE1 4.12Å
147	K	90.7	Very high	83.6	Confident	213 Å²	213	62.5 Å²	62.5	93%	0.926	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	122	-177.5	-176.2	-178.4	178.1	-177.8	0	111.3
148	G	92.7	Very high	83.6	Confident	20 Å²	20	62.8 Å²	62.8	21%	0.206	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	10.7	-178.5	0	0	0	0	0	114.4	P146 P194 L195	P146-G148 PolarHBondContact O-N 3.3Å; G148-P194 VanDerWaalsContact O-CD 3.31Å; G148-P194 WeakPolarHBondContact O-CD 3.34Å; G148-P194 WeakPolarHBondContact O-CG 3.44Å; G148-L195 WeakPolarHBondContact O-CB 3.25Å; G148-L195 PolarHBondContact O-N 3.41Å
149	V	95.1	Very high	84.2	Confident	2 Å²	2	59 Å²	59	1%	0.012	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.8	169.4	174.7	0	0	0	0	109	L145 P146 L195 A197 Y317	L145-V149 HydrophobicContact CD2-CG1 4.43Å; P146-V149 HydrophobicContact CB-CB 4.37Å; P146-V149 HydrophobicContact CB-CG2 3.8Å; P146-V149 HydrophobicContact CG-CG2 4.1Å; P146-V149 WeakPolarHBondContact O-CB 3.38Å; P146-V149 PolarHBondContact O-N 3.43Å; V149-L195 WeakPolarHBondContact CA-O 3.44Å; V149-L195 HydrophobicContact CG2-CB 3.76Å; V149-L195 HydrophobicContact CG2-CD1 3.9Å; V149-L195 HydrophobicContact CG2-CG 4.5Å; V149-A197 HydrophobicContact CG1-CB 3.67Å; V149-Y317 HydrophobicContact CG2-CD1 3.86Å; V149-Y317 HydrophobicContact CG2-CD2 4.3Å; V149-Y317 HydrophobicContact CG2-CG 3.71Å
150	G	94.3	Very high	85	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	151.4	170.2	0	0	0	0	0	113.6	V89 L195 I196 A197	V89-G150 CarbonylContact O-C 3.51Å; V89-G150 WeakPolarHBondContact O-CA 3.21Å; G150-L195 PolarHBondContact N-O 2.84Å; G150-I196 WeakPolarHBondContact O-CA 3.47Å; G150-A197 PolarHBondContact O-N 3.21Å
151	F	93.4	Very high	86	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.022	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.5	173.3	-70.8	-80.8	0	0	0	110	Y88 V89 F92 L133 L145 A197 M315	Y88-F151 CarbonylContact C-O 3.51Å; Y88-F151 VanDerWaalsContact CA-O 3.28Å; Y88-F151 WeakPolarHBondContact CA-O 3.39Å; V89-F151 HydrophobicContact CB-CB 4.37Å; V89-F151 PolarHBondContact N-O 3.02Å; V89-F151 PolarHBondContact O-N 3.26Å; F92-F151 HydrophobicContact CE2-CD2 4.06Å; F92-F151 AromaticContact CE2-CE2 3.96Å; F92-F151 HydrophobicContact CE2-CE2 3.96Å; F92-F151 AromaticContact CZ-CD2 3.83Å; F92-F151 HydrophobicContact CZ-CD2 3.83Å; F92-F151 AromaticContact CZ-CE2 3.95Å; F92-F151 HydrophobicContact CZ-CE2 3.95Å; L133-F151 HydrophobicContact CD2-CB 4.35Å; L133-F151 HydrophobicContact CD2-CD1 3.84Å; L133-F151 HydrophobicContact CD2-CE1 4.22Å; L133-F151 HydrophobicContact CD2-CG 4.03Å; L133-F151 WeakPolarHBondContact O-CE2 3.38Å; L145-F151 HydrophobicContact CD1-CD2 4.29Å; L145-F151 HydrophobicContact CD2-CD2 4.47Å; L145-F151 HydrophobicContact CD2-CE2 3.97Å; F151-A197 HydrophobicContact CD1-CB 3.52Å; F151-A197 WeakPolarHBondContact CD1-O 3.48Å; F151-A197 HydrophobicContact CD2-CB 3.9Å; F151-A197 HydrophobicContact CE1-CB 3.57Å; F151-A197 HydrophobicContact CE2-CB 3.95Å; F151-A197 HydrophobicContact CG-CB 3.7Å; F151-A197 HydrophobicContact CZ-CB 3.79Å; F151-M315 HydrophobicContact CZ-CE 4.25Å; F151-M315 HydrophobicContact CZ-SD 4.41Å
152	R	92.2	Very high	87.1	Confident	61 Å²	61	58.8 Å²	58.8	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.8	172.8	174	-175.7	-76.6	141.5	-0.7	110.1	E86 Y88 I196	E86-R152 HydrophobicContact CG-CG 4.13Å; E86-R152 IonicContact OE1-CZ 3.68Å; E86-R152 IonicContact OE1-NE 3.12Å; E86-R152 PolarHBondContact OE1-NE 3.22Å; E86-R152 IonicContact OE1-NH2 3.18Å; E86-R152 PolarHBondContact OE1-NH2 2.89Å; Y88-R152 HydrophobicContact CD1-CB 4.32Å; Y88-R152 HydrophobicContact CE1-CB 4.26Å; Y88-R152 HydrophobicContact CE1-CG 4.5Å; R152-I196 HydrophobicContact CB-CG2 4.25Å
153	V	91.2	Very high	88.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	159.6	175.5	-64.5	0	0	0	0	110.2	L81 A87 V89 F162 L188	L81-V153 HydrophobicContact CD1-CG2 4.21Å; L81-V153 HydrophobicContact CD2-CB 4.31Å; L81-V153 HydrophobicContact CD2-CG2 4.13Å; A87-V153 HydrophobicContact CB-CG2 4.18Å; A87-V153 PolarHBondContact N-O 3.09Å; A87-V153 WeakPolarHBondContact O-CG2 3.17Å; A87-V153 PolarHBondContact O-N 3.31Å; A87-V153 VanDerWaalsContact O-O 3.13Å; V89-V153 HydrophobicContact CG2-CG1 4.04Å; V89-V153 HydrophobicContact CG2-CG2 4.02Å; V153-F162 HydrophobicContact CB-CZ 4.42Å; V153-F162 HydrophobicContact CG1-CE1 4.07Å; V153-F162 HydrophobicContact CG1-CZ 4.08Å; V153-F162 HydrophobicContact CG2-CZ 4.27Å; V153-L188 HydrophobicContact CG2-CD2 3.98Å
154	G	87.8	Confident	89.6	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	67.8	-168.6	-175.9	0	0	0	0	0	114.7	G158 S159	G154-G158 WeakPolarHBondContact O-CA 3.37Å; G154-G158 PolarHBondContact O-N 3.46Å; G154-S159 PolarHBondContact N-O 3.47Å; G154-S159 VanDerWaalsContact N-O 3.07Å
155	G	85.5	Confident	90.2	Very high	25 Å²	25	46.1 Å²	46.1	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	-155.7	-172.5	0	0	0	0	0	113.2	D84	D84-G155 VanDerWaalsContact O-CA 3.29Å; D84-G155 WeakPolarHBondContact O-CA 3.4Å; D84-G155 PolarHBondContact O-N 3.28Å
156	E	79	Confident	90.4	Very high	194 Å²	194	45 Å²	45	91%	0.907	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-25.5	-175.4	-62.2	179.8	161.3	0	0	113.9
157	T	77.3	Confident	90.2	Very high	126 Å²	126	43.2 Å²	43.2	77%	0.773	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-8.6	-168.6	54.3	0	0	0	0	115.1
158	G	81.8	Confident	90	Very high	7 Å²	7	33 Å²	33	7%	0.072	17%	0.172	C	C	.	.	S	Bend	trans	-89.5	156.8	176.5	0	0	0	0	0	112.4	G154 K160	G154-G158 WeakPolarHBondContact O-CA 3.37Å; G154-G158 PolarHBondContact O-N 3.46Å; G158-K160 PolarHBondContact O-N 3.03Å
159	S	87.5	Confident	89.3	Confident	14 Å²	14	32.5 Å²	32.5	10%	0.098	17%	0.167	C	C	.	.			trans	-56.9	134.7	178.5	-53	0	0	0	0	112.4	G108 C109 G154	G108-S159 WeakPolarHBondContact CA-OG 3.34Å; G108-S159 PolarHBondContact O-OG 2.72Å; C109-S159 PolarHBondContact N-OG 2.76Å; G154-S159 PolarHBondContact N-O 3.47Å; G154-S159 VanDerWaalsContact N-O 3.07Å
160	K	90.8	Very high	88.5	Confident	117 Å²	117	36.4 Å²	36.4	51%	0.509	19%	0.187	S	C	.	.	S	Bend	trans	-92.7	-21	179	-65	178.4	-177.2	176.8	0	113.8	L81 C109 N110 G158	L81-K160 WeakPolarHBondContact CB-O 3.38Å; L81-K160 PolarHBondContact N-O 2.87Å; C109-K160 PolarHBondContact O-N 2.93Å; C109-K160 VanDerWaalsContact O-N 3.15Å; N110-K160 PolarHBondContact OD1-N 2.89Å; G158-K160 PolarHBondContact O-N 3.03Å
161	Y	93.4	Very high	88	Confident	86 Å²	86	38 Å²	38	34%	0.337	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.3	176	-71.3	-96.4	0	0	0	111	P80 G108 C109 N110 P112	P80-Y161 HydrophobicContact CB-CD1 3.98Å; P80-Y161 HydrophobicContact CB-CE1 3.69Å; P80-Y161 HydrophobicContact CG-CE1 4.47Å; G108-Y161 WeakPolarHBondContact CA-O 3.33Å; C109-Y161 PolarHBondContact N-O 2.82Å; C109-Y161 PolarHBondContact O-N 2.87Å; C109-Y161 VanDerWaalsContact O-O 3.12Å; N110-Y161 WeakPolarHBondContact O-CD2 3.48Å; N110-Y161 WeakPolarHBondContact O-CE2 3.36Å; P112-Y161 HydrophobicContact CG-CD1 3.76Å; P112-Y161 HydrophobicContact CG-CD2 4.37Å; P112-Y161 HydrophobicContact CG-CE1 4.42Å; P112-Y161 HydrophobicContact CG-CG 3.73Å
162	F	94.9	Very high	87.5	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.9	159.9	-61.3	-72.6	0	0	0	109.1	L59 I61 S78 A79 L81 V89 L106 F107 L133 V153 L186 L188	L59-F162 HydrophobicContact CD2-CD2 3.8Å; L59-F162 HydrophobicContact CD2-CE2 3.76Å; I61-F162 HydrophobicContact CD1-CB 3.62Å; I61-F162 HydrophobicContact CD1-CD2 3.84Å; I61-F162 HydrophobicContact CD1-CG 3.8Å; S78-F162 CarbonylContact C-O 3.59Å; S78-F162 VanDerWaalsContact CA-O 3.3Å; S78-F162 WeakPolarHBondContact CA-O 3.26Å; A79-F162 PolarHBondContact N-O 3.36Å; A79-F162 PolarHBondContact O-N 2.55Å; L81-F162 HydrophobicContact CD1-CE2 3.89Å; L81-F162 HydrophobicContact CD1-CZ 4.36Å; V89-F162 HydrophobicContact CG2-CE1 4.16Å; V89-F162 HydrophobicContact CG2-CZ 3.95Å; L106-F162 HydrophobicContact CD1-CB 4.25Å; L106-F162 HydrophobicContact CD2-CD1 4.25Å; F107-F162 CarbonylContact O-C 3.57Å; F107-F162 VanDerWaalsContact O-CA 3.28Å; F107-F162 WeakPolarHBondContact O-CA 3.23Å; L133-F162 HydrophobicContact CD1-CD1 3.89Å; L133-F162 HydrophobicContact CD1-CE1 3.65Å; V153-F162 HydrophobicContact CB-CZ 4.42Å; V153-F162 HydrophobicContact CG1-CE1 4.07Å; V153-F162 HydrophobicContact CG1-CZ 4.08Å; V153-F162 HydrophobicContact CG2-CZ 4.27Å; F162-L186 HydrophobicContact CD1-CD1 3.88Å; F162-L186 HydrophobicContact CD2-CD1 3.93Å; F162-L186 HydrophobicContact CE1-CD1 3.62Å; F162-L186 HydrophobicContact CE2-CD1 3.67Å; F162-L186 HydrophobicContact CG-CD1 4.02Å; F162-L186 HydrophobicContact CZ-CD1 3.5Å; F162-L188 HydrophobicContact CZ-CD2 4.35Å
163	V	96.1	Very high	86.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.7	168.6	-179.3	0	0	0	0	108.8	M77 L106 F107 P112 W119 T125	M77-V163 CarbonylContact O-C 3.53Å; M77-V163 WeakPolarHBondContact O-CA 3.48Å; L106-V163 WeakPolarHBondContact CA-O 3.33Å; F107-V163 PolarHBondContact N-O 2.83Å; F107-V163 PolarHBondContact O-N 2.96Å; P112-V163 HydrophobicContact CB-CG2 3.96Å; P112-V163 HydrophobicContact CG-CG2 4.02Å; W119-V163 HydrophobicContact CH2-CG1 3.95Å; W119-V163 HydrophobicContact CH2-CG2 4.45Å; W119-V163 HydrophobicContact CZ2-CG1 3.96Å; T125-V163 HydrophobicContact CG2-CB 4.17Å; T125-V163 HydrophobicContact CG2-CG1 3.69Å
164	L	95.8	Very high	86.5	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.8	175.8	169.9	70.1	0	0	0	108.9	I61 M63 C76 M77 M104 L106 V166	I61-L164 HydrophobicContact CG2-CB 3.85Å; I61-L164 HydrophobicContact CG2-CD2 4.14Å; I61-L164 WeakPolarHBondContact O-CD2 3.45Å; M63-L164 HydrophobicContact CE-CD2 4.43Å; M63-L164 HydrophobicContact CE-CG 4.38Å; M63-L164 WeakPolarHBondContact CE-O 3.33Å; C76-L164 CarbonylContact C-O 3.56Å; C76-L164 WeakPolarHBondContact CA-O 3.24Å; M77-L164 HydrophobicContact CG-CB 4.2Å; M77-L164 HydrophobicContact CG-CD2 4.23Å; M77-L164 PolarHBondContact N-O 2.83Å; M77-L164 PolarHBondContact O-N 3.03Å; M77-L164 HydrophobicContact SD-CB 3.97Å; M77-L164 HydrophobicContact SD-CD2 4.19Å; M104-L164 HydrophobicContact CB-CD1 4.41Å; L106-L164 HydrophobicContact CD1-CB 4.16Å; L164-V166 HydrophobicContact CD1-CG2 4.1Å; L164-V166 HydrophobicContact CD2-CG2 4.05Å; L164-V166 HydrophobicContact CG-CG2 3.9Å
165	Q	94.6	Very high	86.1	Confident	22 Å²	22	49.6 Å²	49.6	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.5	167.2	170.3	172.1	103.5	0	0	109.5	Y74 L75 M104 L105 F107 C121	Y74-Q165 HydrophobicContact CD1-CG 4.34Å; L75-Q165 CarbonylContact O-C 3.55Å; L75-Q165 WeakPolarHBondContact O-CA 3.39Å; M104-Q165 CarbonylContact C-O 3.55Å; M104-Q165 VanDerWaalsContact CA-O 3.23Å; M104-Q165 WeakPolarHBondContact CA-O 3.16Å; L105-Q165 HydrophobicContact CB-CB 4.32Å; L105-Q165 PolarHBondContact N-O 2.8Å; L105-Q165 PolarHBondContact O-N 2.79Å; F107-Q165 HydrophobicContact CE2-CB 4.13Å; C121-Q165 VanDerWaalsContact SG-CG 3.56Å; C121-Q165 PolarHBondContact SG-NE2 2.91Å; C121-Q165 VanDerWaalsContact SG-NE2 3.4Å
166	V	92.4	Very high	85.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.9	174.3	-176.6	0	0	0	0	109.2	M63 L75 V101 M104 L164 Y168	M63-V166 HydrophobicContact CE-CB 4.01Å; M63-V166 HydrophobicContact CE-CG2 3.68Å; M63-V166 HydrophobicContact CG-CB 4.42Å; M63-V166 HydrophobicContact CG-CG2 3.91Å; L75-V166 PolarHBondContact N-O 2.96Å; L75-V166 PolarHBondContact O-N 2.84Å; V101-V166 HydrophobicContact CB-CG1 4.43Å; V101-V166 HydrophobicContact CG1-CG1 3.7Å; V101-V166 HydrophobicContact CG2-CG1 3.85Å; M104-V166 HydrophobicContact CG-CB 4.49Å; M104-V166 HydrophobicContact CG-CG1 4.15Å; M104-V166 HydrophobicContact CG-CG2 4.08Å; M104-V166 HydrophobicContact SD-CG2 4.28Å; L164-V166 HydrophobicContact CD1-CG2 4.1Å; L164-V166 HydrophobicContact CD2-CG2 4.05Å; L164-V166 HydrophobicContact CG-CG2 3.9Å; V166-Y168 HydrophobicContact CB-CE2 3.83Å; V166-Y168 HydrophobicContact CG1-CD1 4.45Å; V166-Y168 HydrophobicContact CG1-CD2 4.06Å; V166-Y168 HydrophobicContact CG1-CE1 3.96Å; V166-Y168 HydrophobicContact CG1-CE2 3.5Å; V166-Y168 VanDerWaalsContact CG1-CZ 3.45Å
167	H	87.9	Confident	85.9	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.2	174.4	177.7	-135	0	0	0	110.4	D72 Y74 H102 H103	D72-H167 VanDerWaalsContact CA-NE2 3.34Å; D72-H167 WeakPolarHBondContact CA-NE2 3.5Å; D72-H167 IonicContact OD1-NE2 3.25Å; Y74-H167 HydrophobicContact CD1-CB 3.87Å; Y74-H167 AromaticContact CD2-CD2 3.57Å; Y74-H167 HydrophobicContact CE1-CB 3.67Å; Y74-H167 AromaticContact CE1-CD2 3.68Å; Y74-H167 AromaticContact CE1-CG 3.61Å; Y74-H167 AromaticContact CE2-CD2 3.17Å; Y74-H167 WeakPolarHBondContact CE2-CD2 3.46Å; Y74-H167 AromaticContact CE2-CG 3.95Å; Y74-H167 AromaticContact CE2-NE2 3.41Å; Y74-H167 WeakPolarHBondContact CE2-NE2 3.21Å; Y74-H167 HydrophobicContact CG-CB 4.48Å; Y74-H167 AromaticContact CG-CD2 3.95Å; Y74-H167 AromaticContact CZ-CD2 3.22Å; Y74-H167 AromaticContact CZ-CE1 3.94Å; Y74-H167 AromaticContact CZ-CG 3.5Å; Y74-H167 AromaticContact CZ-ND1 3.92Å; Y74-H167 AromaticContact CZ-NE2 3.54Å; Y74-H167 PolarHBondContact OH-CE1 2.96Å; Y74-H167 PolarHBondContact OH-NE2 3.2Å; H102-H167 AromaticContact CG-ND1 3.75Å; H102-H167 PolarHBondContact N-O 2.85Å; H103-H167 VanDerWaalsContact CE1-CB 3.49Å; H103-H167 WeakPolarHBondContact CE1-CB 3.4Å; H103-H167 AromaticContact CE1-CG 3.65Å; H103-H167 AromaticContact CE1-ND1 3.44Å; H103-H167 PolarHBondContact CE1-ND1 2.85Å; H103-H167 AromaticContact ND1-CG 3.91Å; H103-H167 AromaticContact ND1-ND1 3.41Å; H103-H167 PolarHBondContact ND1-ND1 3.45Å; H103-H167 PolarHBondContact O-N 2.83Å
168	Y	86.6	Confident	86.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.1	177.7	-64.4	-85.1	0	0	0	109.7	V66 P68 D72 T73 L75 V101 V166 F174 D180	V66-Y168 HydrophobicContact CG2-CE2 4.15Å; V66-Y168 VanDerWaalsContact CG2-OH 3.26Å; V66-Y168 WeakPolarHBondContact CG2-OH 3.41Å; P68-Y168 HydrophobicContact CB-CG 4.33Å; P68-Y168 HydrophobicContact CG-CD1 3.77Å; P68-Y168 HydrophobicContact CG-CD2 3.62Å; P68-Y168 HydrophobicContact CG-CE1 4.16Å; P68-Y168 HydrophobicContact CG-CE2 4.02Å; P68-Y168 HydrophobicContact CG-CG 3.47Å; P68-Y168 VanDerWaalsContact CG-CG 3.47Å; D72-Y168 CarbonylContact C-O 3.56Å; D72-Y168 VanDerWaalsContact CA-O 3.3Å; D72-Y168 WeakPolarHBondContact CA-O 3.3Å; D72-Y168 PolarHBondContact N-O 2.95Å; T73-Y168 PolarHBondContact N-O 2.85Å; T73-Y168 VanDerWaalsContact N-O 3.08Å; T73-Y168 PolarHBondContact O-N 3.47Å; L75-Y168 HydrophobicContact CB-CE2 4.23Å; L75-Y168 HydrophobicContact CD1-CD2 4.35Å; L75-Y168 HydrophobicContact CD1-CE2 3.96Å; L75-Y168 HydrophobicContact CG-CD2 4.38Å; L75-Y168 HydrophobicContact CG-CE2 4.24Å; V101-Y168 HydrophobicContact CG2-CD1 3.95Å; V101-Y168 HydrophobicContact CG2-CE1 3.65Å; V166-Y168 HydrophobicContact CB-CE2 3.83Å; V166-Y168 HydrophobicContact CG1-CD1 4.45Å; V166-Y168 HydrophobicContact CG1-CD2 4.06Å; V166-Y168 HydrophobicContact CG1-CE1 3.96Å; V166-Y168 HydrophobicContact CG1-CE2 3.5Å; V166-Y168 VanDerWaalsContact CG1-CZ 3.45Å; Y168-F174 HydrophobicContact CD1-CE2 4.03Å; Y168-F174 HydrophobicContact CD1-CZ 4.11Å; Y168-F174 HydrophobicContact CE1-CE2 4.49Å; Y168-F174 HydrophobicContact CE1-CZ 4.12Å; Y168-D180 HydrophobicContact CE1-CB 4.17Å; Y168-D180 WeakPolarHBondContact CE1-OD1 3.27Å; Y168-D180 PolarHBondContact OH-OD1 3.18Å
169	G	78.1	Confident	86.6	Confident	9 Å²	9	53.6 Å²	53.6	9%	0.093	25%	0.254	C	S	.	.			trans	-79	-84	-177.4	0	0	0	0	0	111.6	S71 D72 T100	S71-G169 VanDerWaalsContact CA-O 3.24Å; S71-G169 WeakPolarHBondContact CA-O 3.18Å; S71-G169 VanDerWaalsContact CB-O 3.24Å; S71-G169 WeakPolarHBondContact CB-O 3.41Å; D72-G169 PolarHBondContact N-O 2.72Å; T100-G169 PolarHBondContact O-N 2.79Å; T100-G169 VanDerWaalsContact O-N 3.11Å
170	D	77.7	Confident	86.7	Confident	83 Å²	83	53 Å²	53	44%	0.444	25%	0.25	S	S	.	.			trans	-80.1	124.4	173.3	-178.4	25.5	0	0	0	111.3	T100 S172	T100-D170 WeakPolarHBondContact CA-O 3.47Å; D170-S172 WeakPolarHBondContact OD1-CB 3.43Å; D170-S172 PolarHBondContact OD1-N 3.24Å; D170-S172 PolarHBondContact OD1-OG 3.31Å; D170-S172 VanDerWaalsContact OD2-CB 3.31Å; D170-S172 WeakPolarHBondContact OD2-CB 3.41Å; D170-S172 PolarHBondContact OD2-OG 3.46Å
171	I	83.6	Confident	86.8	Confident	35 Å²	35	48.6 Å²	48.6	18%	0.179	23%	0.234	C	C	.	.			trans	-100.8	8.6	174.6	61.2	154.5	0	0	0	113.6	P68 K69 Q70 A173 F174	P68-I171 HydrophobicContact CB-CG2 3.82Å; K69-I171 WeakPolarHBondContact O-CD1 3.23Å; Q70-I171 VanDerWaalsContact O-CG2 3.26Å; Q70-I171 WeakPolarHBondContact O-CG2 3.33Å; I171-A173 PolarHBondContact O-N 2.93Å; I171-A173 VanDerWaalsContact O-N 3.1Å; I171-F174 HydrophobicContact CB-CD2 3.9Å; I171-F174 HydrophobicContact CG2-CD2 3.99Å; I171-F174 HydrophobicContact CG2-CE2 4.39Å; I171-F174 WeakPolarHBondContact O-CB 3.43Å; I171-F174 PolarHBondContact O-N 2.79Å
172	S	82.9	Confident	86.8	Confident	49 Å²	49	44.6 Å²	44.6	34%	0.343	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-57	-28.5	-178	76.1	0	0	0	0	113.8	D170 R175	D170-S172 WeakPolarHBondContact OD1-CB 3.43Å; D170-S172 PolarHBondContact OD1-N 3.24Å; D170-S172 PolarHBondContact OD1-OG 3.31Å; D170-S172 VanDerWaalsContact OD2-CB 3.31Å; D170-S172 WeakPolarHBondContact OD2-CB 3.41Å; D170-S172 PolarHBondContact OD2-OG 3.46Å; S172-R175 WeakPolarHBondContact O-CD 3.16Å; S172-R175 WeakPolarHBondContact O-CG 3.34Å
173	A	79.9	Confident	86.7	Confident	37 Å²	37	44.5 Å²	44.5	31%	0.306	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.4	-28.2	174.3	0	0	0	0	0	113.5	T100 I171 R175 H178	T100-A173 HydrophobicContact CG2-CB 3.63Å; I171-A173 PolarHBondContact O-N 2.93Å; I171-A173 VanDerWaalsContact O-N 3.1Å; A173-R175 PolarHBondContact O-N 2.82Å; A173-R175 VanDerWaalsContact O-N 3.12Å; A173-H178 PolarHBondContact O-CE1 2.77Å; A173-H178 VanDerWaalsContact O-CE1 3.28Å; A173-H178 PolarHBondContact O-ND1 3.25Å
174	F	83.3	Confident	86.5	Confident	12 Å²	12	44.6 Å²	44.6	5%	0.053	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-75.6	7.7	-179.9	-66.5	-67.5	0	0	0	114	T67 P68 T100 Y168 I171 D176 K177 H178 D180	T67-F174 HydrophobicContact CG2-CB 4.33Å; T67-F174 HydrophobicContact CG2-CD1 4.17Å; T67-F174 HydrophobicContact CG2-CG 4.48Å; P68-F174 HydrophobicContact CB-CD2 4.39Å; P68-F174 HydrophobicContact CB-CE2 4.25Å; P68-F174 HydrophobicContact CG-CD2 4.26Å; P68-F174 HydrophobicContact CG-CE2 3.7Å; P68-F174 HydrophobicContact CG-CZ 3.99Å; T100-F174 HydrophobicContact CG2-CD2 4.06Å; T100-F174 HydrophobicContact CG2-CE2 3.63Å; T100-F174 HydrophobicContact CG2-CZ 4.1Å; Y168-F174 HydrophobicContact CD1-CE2 4.03Å; Y168-F174 HydrophobicContact CD1-CZ 4.11Å; Y168-F174 HydrophobicContact CE1-CE2 4.49Å; Y168-F174 HydrophobicContact CE1-CZ 4.12Å; I171-F174 HydrophobicContact CB-CD2 3.9Å; I171-F174 HydrophobicContact CG2-CD2 3.99Å; I171-F174 HydrophobicContact CG2-CE2 4.39Å; I171-F174 WeakPolarHBondContact O-CB 3.43Å; I171-F174 PolarHBondContact O-N 2.79Å; F174-D176 PolarHBondContact O-N 3.15Å; F174-K177 WeakPolarHBondContact O-CA 3.49Å; F174-K177 PolarHBondContact O-N 3.1Å; F174-H178 AromaticContact CD1-CD2 3.94Å; F174-H178 AromaticContact CD1-CE1 3.59Å; F174-H178 AromaticContact CD1-ND1 3.98Å; F174-H178 AromaticContact CD1-NE2 3.56Å; F174-H178 AromaticContact CE1-CD2 3.82Å; F174-H178 AromaticContact CE1-CE1 3.93Å; F174-H178 AromaticContact CE1-NE2 3.41Å; F174-H178 WeakPolarHBondContact CE1-NE2 3.38Å; F174-D180 HydrophobicContact CE1-CB 3.78Å; F174-D180 HydrophobicContact CZ-CB 3.76Å
175	R	78.4	Confident	86.3	Confident	215 Å²	215	45.4 Å²	45.4	81%	0.811	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-58.8	-27.3	177.1	-76	172.2	-176.7	-174.3	2.3	113.8	S172 A173 K177	S172-R175 WeakPolarHBondContact O-CD 3.16Å; S172-R175 WeakPolarHBondContact O-CG 3.34Å; A173-R175 PolarHBondContact O-N 2.82Å; A173-R175 VanDerWaalsContact O-N 3.12Å; R175-K177 VanDerWaalsContact C-N 3.31Å
176	D	81.5	Confident	86.1	Confident	112 Å²	112	44.4 Å²	44.4	60%	0.599	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-84.1	-4.3	173.9	69.5	-12.3	0	0	0	113.6	F174 H178	F174-D176 PolarHBondContact O-N 3.15Å; D176-H178 VanDerWaalsContact C-N 3.32Å; D176-H178 WeakPolarHBondContact OD1-CB 3.32Å; D176-H178 IonicContact OD1-CE1 2.83Å; D176-H178 IonicContact OD1-CG 2.69Å; D176-H178 PolarHBondContact OD1-N 3.24Å; D176-H178 IonicContact OD1-ND1 3.52Å; D176-H178 PolarHBondContact OD1-ND1 2.82Å; D176-H178 IonicContact OD2-ND1 3.47Å
177	K	80.1	Confident	86.1	Confident	172 Å²	172	47.2 Å²	47.2	75%	0.748	23%	0.232	S	C	*	.			trans	60	34.1	-173.8	-53.2	-178.9	-178.3	-179.9	0	113.9	F174 R175	F174-K177 WeakPolarHBondContact O-CA 3.49Å; F174-K177 PolarHBondContact O-N 3.1Å; R175-K177 VanDerWaalsContact C-N 3.31Å
178	H	83.2	Confident	86.3	Confident	38 Å²	38	46.8 Å²	46.8	18%	0.176	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-61.3	161.6	167.7	74.5	-93.7	0	0	0	111.9	T67 A173 F174 D176	T67-H178 PolarHBondContact OG1-O 3.23Å; A173-H178 PolarHBondContact O-CE1 2.77Å; A173-H178 VanDerWaalsContact O-CE1 3.28Å; A173-H178 PolarHBondContact O-ND1 3.25Å; F174-H178 AromaticContact CD1-CD2 3.94Å; F174-H178 AromaticContact CD1-CE1 3.59Å; F174-H178 AromaticContact CD1-ND1 3.98Å; F174-H178 AromaticContact CD1-NE2 3.56Å; F174-H178 AromaticContact CE1-CD2 3.82Å; F174-H178 AromaticContact CE1-CE1 3.93Å; F174-H178 AromaticContact CE1-NE2 3.41Å; F174-H178 WeakPolarHBondContact CE1-NE2 3.38Å; D176-H178 VanDerWaalsContact C-N 3.32Å; D176-H178 WeakPolarHBondContact OD1-CB 3.32Å; D176-H178 IonicContact OD1-CE1 2.83Å; D176-H178 IonicContact OD1-CG 2.69Å; D176-H178 PolarHBondContact OD1-N 3.24Å; D176-H178 IonicContact OD1-ND1 3.52Å; D176-H178 PolarHBondContact OD1-ND1 2.82Å; D176-H178 IonicContact OD2-ND1 3.47Å
179	K	89.4	Confident	86.6	Confident	113 Å²	113	47.1 Å²	47.1	49%	0.491	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-98.4	135.8	175.3	-73.8	179.4	162.8	-80	0	109.8	G65 V66	G65-K179 WeakPolarHBondContact O-CD 3.37Å; G65-K179 VanDerWaalsContact O-CG 3.3Å; G65-K179 WeakPolarHBondContact O-CG 3.37Å; G65-K179 PolarHBondContact O-NZ 2.73Å; V66-K179 WeakPolarHBondContact O-CA 3.22Å
180	D	90.8	Very high	87.2	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.011	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-99.5	142.3	170.1	179.6	-102.9	0	0	0	111.7	G65 V66 S97 Y168 F174 S182	G65-D180 CarbonylContact C-O 3.58Å; G65-D180 WeakPolarHBondContact CA-O 3.44Å; G65-D180 PolarHBondContact N-O 3.17Å; V66-D180 HydrophobicContact CG2-CB 4.4Å; V66-D180 PolarHBondContact N-O 2.84Å; V66-D180 PolarHBondContact O-N 2.86Å; S97-D180 VanDerWaalsContact CB-OD2 3.23Å; S97-D180 WeakPolarHBondContact CB-OD2 3.37Å; S97-D180 PolarHBondContact OG-OD2 2.84Å; Y168-D180 HydrophobicContact CE1-CB 4.17Å; Y168-D180 WeakPolarHBondContact CE1-OD1 3.27Å; Y168-D180 PolarHBondContact OH-OD1 3.18Å; F174-D180 HydrophobicContact CE1-CB 3.78Å; F174-D180 HydrophobicContact CZ-CB 3.76Å; D180-S182 VanDerWaalsContact CG-OG 3.27Å; D180-S182 WeakPolarHBondContact OD1-CB 3.4Å; D180-S182 PolarHBondContact OD1-N 3.27Å; D180-S182 PolarHBondContact OD1-OG 3.27Å; D180-S182 PolarHBondContact OD2-OG 2.56Å
181	C	92.2	Very high	87.9	Confident	25 Å²	25	52.2 Å²	52.2	17%	0.169	25%	0.251	C	S	.	.			trans	-134.1	46	176.8	-74.4	0	0	0	0	110.8	C42 R62 M63 G65	C42-C181 HydrophobicContact CB-CB 3.98Å; C42-C181 WeakPolarHBondContact CB-SG 3.42Å; C42-C181 WeakPolarHBondContact SG-CB 3.49Å; C42-C181 CovalentContact SG-SG 2.02Å; C42-C181 PolarHBondContact SG-SG 2.98Å; R62-C181 WeakPolarHBondContact CD-O 3.42Å; R62-C181 PolarHBondContact NH1-O 3.03Å; M63-C181 WeakPolarHBondContact O-CA 3.29Å; M63-C181 PolarHBondContact O-SG 2.81Å; G65-C181 WeakPolarHBondContact CA-SG 3.21Å; G65-C181 PolarHBondContact N-SG 3.01Å
182	S	92.8	Very high	88.3	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	27%	0.272	C	S	.	.			trans	-69	158.3	173.1	-64.8	0	0	0	0	111.8	R62 M63 H95 S97 V101 D180	R62-S182 WeakPolarHBondContact CA-O 3.1Å; M63-S182 PolarHBondContact N-O 3.16Å; H95-S182 CarbonylContact O-C 3.53Å; H95-S182 WeakPolarHBondContact O-CA 3.43Å; H95-S182 WeakPolarHBondContact O-CB 3.46Å; S97-S182 PolarHBondContact N-OG 3.06Å; S97-S182 PolarHBondContact OG-OG 2.94Å; V101-S182 WeakPolarHBondContact CG2-OG 3.24Å; D180-S182 VanDerWaalsContact CG-OG 3.27Å; D180-S182 WeakPolarHBondContact OD1-CB 3.4Å; D180-S182 PolarHBondContact OD1-N 3.27Å; D180-S182 PolarHBondContact OD1-OG 3.27Å; D180-S182 PolarHBondContact OD2-OG 2.56Å
183	G	92.6	Very high	88.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.3	-146.8	178.1	0	0	0	0	0	113	I61 H95 M104	I61-G183 CarbonylContact O-C 3.58Å; I61-G183 WeakPolarHBondContact O-CA 3.28Å; H95-G183 CarbonylContact C-O 3.47Å; H95-G183 WeakPolarHBondContact CA-O 3.42Å; H95-G183 PolarHBondContact N-O 3.15Å; H95-G183 PolarHBondContact O-N 3.24Å; M104-G183 VanDerWaalsContact CE-O 3.24Å; M104-G183 WeakPolarHBondContact CE-O 3.39Å
184	V	92.1	Very high	89.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.5	-175.2	71.8	0	0	0	0	111.2	I61 F92 K93 L106 Y134 L186	I61-V184 PolarHBondContact N-O 3.09Å; I61-V184 PolarHBondContact O-N 2.78Å; F92-V184 HydrophobicContact CB-CG2 4.38Å; K93-V184 WeakPolarHBondContact O-CA 3.19Å; K93-V184 WeakPolarHBondContact O-CG2 3.38Å; L106-V184 HydrophobicContact CD1-CG1 3.9Å; L106-V184 HydrophobicContact CD2-CG1 4.2Å; L106-V184 HydrophobicContact CG-CG1 4.49Å; Y134-V184 HydrophobicContact CD1-CG2 4.16Å; Y134-V184 HydrophobicContact CE1-CG2 4.01Å; V184-L186 HydrophobicContact CG1-CD2 3.93Å; V184-L186 HydrophobicContact CG2-CD2 4.35Å
185	T	91.8	Very high	90.1	Very high	19 Å²	19	60.3 Å²	60.3	12%	0.117	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.2	164.8	-41.4	0	0	0	0	108.9	A58 L59 D60 K93 H95	A58-T185 HydrophobicContact CB-CG2 3.96Å; L59-T185 WeakPolarHBondContact O-CA 3.27Å; D60-T185 HydrophobicContact CB-CG2 4.14Å; D60-T185 WeakPolarHBondContact OD1-CB 3.24Å; D60-T185 PolarHBondContact OD1-OG1 3.28Å; K93-T185 PolarHBondContact N-O 2.84Å; K93-T185 PolarHBondContact O-N 3.43Å; H95-T185 PolarHBondContact CD2-OG1 3.21Å; H95-T185 VanDerWaalsContact CD2-OG1 3.32Å
186	L	92	Very high	90.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.9	173.3	-52.8	-172	0	0	0	110	A58 L59 I61 V89 F92 L106 F162 V184 L188	A58-L186 CarbonylContact C-O 3.49Å; A58-L186 WeakPolarHBondContact CA-O 3.48Å; L59-L186 HydrophobicContact CB-CB 4.47Å; L59-L186 PolarHBondContact N-O 3.03Å; L59-L186 PolarHBondContact O-N 2.95Å; I61-L186 HydrophobicContact CD1-CD1 3.61Å; I61-L186 HydrophobicContact CD1-CG 3.91Å; V89-L186 HydrophobicContact CG1-CB 4.31Å; V89-L186 HydrophobicContact CG1-CD2 4.4Å; F92-L186 HydrophobicContact CD1-CD2 3.47Å; F92-L186 VanDerWaalsContact CD1-CD2 3.47Å; F92-L186 HydrophobicContact CE1-CD2 3.73Å; L106-L186 HydrophobicContact CD2-CD1 4.2Å; L106-L186 HydrophobicContact CD2-CD2 3.61Å; L106-L186 HydrophobicContact CD2-CG 4.48Å; F162-L186 HydrophobicContact CD1-CD1 3.88Å; F162-L186 HydrophobicContact CD2-CD1 3.93Å; F162-L186 HydrophobicContact CE1-CD1 3.62Å; F162-L186 HydrophobicContact CE2-CD1 3.67Å; F162-L186 HydrophobicContact CG-CD1 4.02Å; F162-L186 HydrophobicContact CZ-CD1 3.5Å; V184-L186 HydrophobicContact CG1-CD2 3.93Å; V184-L186 HydrophobicContact CG2-CD2 4.35Å; L186-L188 HydrophobicContact CB-CD1 3.61Å; L186-L188 HydrophobicContact CD1-CD1 4.46Å
187	H	92.3	Very high	91.5	Very high	58 Å²	58	44.8 Å²	44.8	27%	0.269	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120	163	-172.1	-169.2	0	0	0	108.8	V89 V90 D91	V89-H187 WeakPolarHBondContact CA-O 3.21Å; V90-H187 HydrophobicContact CG2-CB 4.27Å; V90-H187 WeakPolarHBondContact CG2-O 3.4Å; V90-H187 PolarHBondContact N-O 2.96Å; D91-H187 HydrophobicContact CB-CB 3.82Å; D91-H187 PolarHBondContact O-N 3.32Å
188	L	91.6	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.4	177.9	-62.3	96.6	0	0	0	111.3	D56 F57 L59 L81 A87 Y88 V89 V153 F162 L186	D56-L188 WeakPolarHBondContact CA-O 3.38Å; F57-L188 HydrophobicContact CD1-CB 4.23Å; F57-L188 HydrophobicContact CD2-CB 4.07Å; F57-L188 HydrophobicContact CD2-CD1 4.2Å; F57-L188 HydrophobicContact CE1-CB 3.84Å; F57-L188 HydrophobicContact CE2-CB 3.68Å; F57-L188 HydrophobicContact CE2-CD1 3.85Å; F57-L188 HydrophobicContact CE2-CD2 3.98Å; F57-L188 HydrophobicContact CE2-CG 4.05Å; F57-L188 HydrophobicContact CG-CB 4.35Å; F57-L188 HydrophobicContact CZ-CB 3.55Å; F57-L188 HydrophobicContact CZ-CD2 3.93Å; F57-L188 HydrophobicContact CZ-CG 4.2Å; F57-L188 PolarHBondContact N-O 2.63Å; F57-L188 PolarHBondContact O-N 3.44Å; F57-L188 VanDerWaalsContact O-O 3.06Å; L59-L188 HydrophobicContact CB-CD1 3.72Å; L81-L188 HydrophobicContact CD1-CD2 3.72Å; A87-L188 HydrophobicContact CB-CD2 4.42Å; Y88-L188 VanDerWaalsContact O-CA 3.28Å; Y88-L188 WeakPolarHBondContact O-CA 3.15Å; V89-L188 HydrophobicContact CG2-CD2 4.02Å; V89-L188 HydrophobicContact CG2-CG 4.15Å; V153-L188 HydrophobicContact CG2-CD2 3.98Å; F162-L188 HydrophobicContact CZ-CD2 4.35Å; L186-L188 HydrophobicContact CB-CD1 3.61Å; L186-L188 HydrophobicContact CD1-CD1 4.46Å
189	T	92	Very high	92.5	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.037	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.9	170.3	-177.8	0	0	0	0	111.3	S55 D56 Y88 V90 Q191	S55-T189 WeakPolarHBondContact O-CA 3.24Å; S55-T189 PolarHBondContact O-OG1 3.5Å; D56-T189 VanDerWaalsContact OD1-CB 3.27Å; D56-T189 WeakPolarHBondContact OD1-CB 3.3Å; D56-T189 PolarHBondContact OD1-OG1 3Å; Y88-T189 WeakPolarHBondContact CD2-O 3.12Å; Y88-T189 PolarHBondContact N-O 2.94Å; Y88-T189 PolarHBondContact O-N 2.82Å; V90-T189 HydrophobicContact CG1-CG2 3.94Å; V90-T189 HydrophobicContact CG2-CG2 4.27Å; T189-Q191 VanDerWaalsContact C-N 3.29Å; T189-Q191 HydrophobicContact CG2-CB 4.29Å; T189-Q191 WeakPolarHBondContact OG1-CB 3.4Å; T189-Q191 PolarHBondContact OG1-N 2.89Å
190	H	90.9	Very high	92.8	Very high	72 Å²	72	30 Å²	30	33%	0.333	15%	0.15	S	C	.	.	S	Bend	trans	-81.8	-6.8	165.8	-66	-72.5	0	0	0	112.9	S55 F57 E86 K192	S55-H190 PolarHBondContact O-N 3.33Å; F57-H190 AromaticContact CE1-CD2 3.98Å; F57-H190 AromaticContact CE1-NE2 3.59Å; E86-H190 PolarHBondContact O-ND1 3.17Å; H190-K192 PolarHBondContact O-N 2.87Å
191	Q	91.9	Very high	92.9	Very high	128 Å²	128	30.2 Å²	30.2	60%	0.598	15%	0.152	S	C	*	.	S	Bend	trans	-69.6	118.1	175.7	-174.8	175.4	4.3	0	0	110.2	Y88 T189 Q193	Y88-Q191 VanDerWaalsContact CD2-O 3.25Å; Y88-Q191 WeakPolarHBondContact CD2-O 3.07Å; T189-Q191 VanDerWaalsContact C-N 3.29Å; T189-Q191 HydrophobicContact CG2-CB 4.29Å; T189-Q191 WeakPolarHBondContact OG1-CB 3.4Å; T189-Q191 PolarHBondContact OG1-N 2.89Å; Q191-Q193 PolarHBondContact O-N 2.89Å; Q191-Q193 VanDerWaalsContact O-N 3.12Å; Q191-Q193 PolarHBondContact O-NE2 3.18Å
192	K	91.7	Very high	93.2	Very high	144 Å²	144	29 Å²	29	63%	0.626	14%	0.144	S	C	*	.	P	Polyproline II helix	trans	-56.9	116.3	178	-56.6	-144.5	175.8	-146.9	0	111.4	E86 Y88 H190	E86-K192 IonicContact OE2-NZ 2.82Å; E86-K192 PolarHBondContact OE2-NZ 2.92Å; Y88-K192 HydrophobicContact CE2-CB 4.16Å; Y88-K192 HydrophobicContact CE2-CG 4.01Å; Y88-K192 WeakPolarHBondContact OH-CD 3.41Å; Y88-K192 WeakPolarHBondContact OH-CG 3.35Å; H190-K192 PolarHBondContact O-N 2.87Å
193	Q	94.3	Very high	93.1	Very high	25 Å²	25	31.4 Å²	31.4	12%	0.117	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-74.5	138.9	177.4	-61.2	-54.6	-61.6	0	0	110.1	Y88 V90 Q191 L195 I196 A320	Y88-Q193 HydrophobicContact CD1-CG 4.43Å; Y88-Q193 HydrophobicContact CD2-CG 4.5Å; Y88-Q193 HydrophobicContact CG-CG 3.99Å; V90-Q193 HydrophobicContact CG1-CG 3.89Å; Q191-Q193 PolarHBondContact O-N 2.89Å; Q191-Q193 VanDerWaalsContact O-N 3.12Å; Q191-Q193 PolarHBondContact O-NE2 3.18Å; Q193-L195 WeakPolarHBondContact CB-O 3.22Å; Q193-L195 PolarHBondContact O-N 3.07Å; Q193-I196 HydrophobicContact CB-CD1 4.35Å; Q193-A320 WeakPolarHBondContact O-CB 3.18Å
194	P	94.6	Very high	93.1	Very high	87 Å²	87	31.7 Å²	31.7	57%	0.565	16%	0.157	S	C	*	.	S	Bend	trans	-68.1	-27.6	178.3	28.1	-35.4	0	0	0	112.4	G148 A320	G148-P194 VanDerWaalsContact O-CD 3.31Å; G148-P194 WeakPolarHBondContact O-CD 3.34Å; G148-P194 WeakPolarHBondContact O-CG 3.44Å; P194-A320 WeakPolarHBondContact O-CB 3.41Å; P194-A320 PolarHBondContact O-N 3.43Å
195	L	95.9	Very high	92.9	Very high	47 Å²	47	35.6 Å²	35.6	25%	0.246	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.7	177.1	-56.2	170.7	0	0	0	108.7	G148 V149 G150 Q193 Y317 M318	G148-L195 WeakPolarHBondContact O-CB 3.25Å; G148-L195 PolarHBondContact O-N 3.41Å; V149-L195 WeakPolarHBondContact CA-O 3.44Å; V149-L195 HydrophobicContact CG2-CB 3.76Å; V149-L195 HydrophobicContact CG2-CD1 3.9Å; V149-L195 HydrophobicContact CG2-CG 4.5Å; G150-L195 PolarHBondContact N-O 2.84Å; Q193-L195 WeakPolarHBondContact CB-O 3.22Å; Q193-L195 PolarHBondContact O-N 3.07Å; L195-Y317 HydrophobicContact CB-CD2 4.25Å; L195-Y317 HydrophobicContact CD1-CD2 3.74Å; L195-Y317 HydrophobicContact CD1-CE2 3.86Å; L195-Y317 HydrophobicContact CD1-CG 4.49Å; L195-Y317 HydrophobicContact CD2-CD2 4.13Å; L195-Y317 HydrophobicContact CG-CD2 4.26Å; L195-M318 CarbonylContact C-O 3.54Å; L195-M318 VanDerWaalsContact CA-O 3.3Å; L195-M318 WeakPolarHBondContact CA-O 3.39Å
196	I	95.3	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.8	178.2	-60	-63.2	0	0	0	108.4	Y88 G150 R152 Q193 Y317 M318 A320 A323	Y88-I196 HydrophobicContact CD1-CD1 3.66Å; Y88-I196 HydrophobicContact CE1-CD1 3.49Å; Y88-I196 VanDerWaalsContact CE1-CD1 3.49Å; G150-I196 WeakPolarHBondContact O-CA 3.47Å; R152-I196 HydrophobicContact CB-CG2 4.25Å; Q193-I196 HydrophobicContact CB-CD1 4.35Å; I196-Y317 VanDerWaalsContact O-CA 3.28Å; I196-Y317 WeakPolarHBondContact O-CA 3.3Å; I196-M318 PolarHBondContact N-O 3.38Å; I196-M318 PolarHBondContact O-N 2.96Å; I196-A320 HydrophobicContact CD1-CB 4.35Å; I196-A320 HydrophobicContact CG1-CB 3.73Å; I196-A323 HydrophobicContact CB-CB 3.58Å; I196-A323 HydrophobicContact CG1-CB 4.12Å; I196-A323 HydrophobicContact CG2-CB 4.06Å
197	A	94.4	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	146.5	172.8	0	0	0	0	0	110.9	V149 G150 F151 Y316	V149-A197 HydrophobicContact CG1-CB 3.67Å; G150-A197 PolarHBondContact O-N 3.21Å; F151-A197 HydrophobicContact CD1-CB 3.52Å; F151-A197 WeakPolarHBondContact CD1-O 3.48Å; F151-A197 HydrophobicContact CD2-CB 3.9Å; F151-A197 HydrophobicContact CE1-CB 3.57Å; F151-A197 HydrophobicContact CE2-CB 3.95Å; F151-A197 HydrophobicContact CG-CB 3.7Å; F151-A197 HydrophobicContact CZ-CB 3.79Å; A197-Y316 WeakPolarHBondContact CA-O 3.2Å
198	G	92.5	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	172	170.4	0	0	0	0	0	112.4	Y316 S325	G198-Y316 VanDerWaalsContact C-CZ 3.47Å; G198-Y316 PolarHBondContact N-O 2.73Å; G198-Y316 PolarHBondContact O-N 3.22Å; G198-S325 CarbonylContact C-O 3.18Å; G198-S325 WeakPolarHBondContact CA-O 3.34Å
199	M	92.1	Very high	92.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137	-179.4	-165.9	60.5	54.5	0	0	110.7	I132 F269 Y313 I314 M315 Y316 S325 Y326 M327	I132-M199 HydrophobicContact CG2-CE 4.08Å; I132-M199 HydrophobicContact CG2-CG 4.07Å; I132-M199 HydrophobicContact CG2-SD 4.28Å; I132-M199 WeakPolarHBondContact O-CE 3.41Å; M199-F269 HydrophobicContact CE-CE1 3.76Å; M199-F269 HydrophobicContact CE-CE2 4.4Å; M199-F269 HydrophobicContact CE-CZ 3.5Å; M199-F269 HydrophobicContact SD-CE1 3.83Å; M199-F269 HydrophobicContact SD-CZ 3.87Å; M199-Y313 HydrophobicContact CG-CD1 4.23Å; M199-Y313 HydrophobicContact SD-CD1 4.24Å; M199-I314 CarbonylContact C-O 3.54Å; M199-I314 WeakPolarHBondContact CA-O 3.28Å; M199-M315 HydrophobicContact CE-CE 4.16Å; M199-M315 HydrophobicContact CE-CG 3.49Å; M199-M315 VanDerWaalsContact CE-CG 3.49Å; M199-M315 HydrophobicContact SD-CG 4.34Å; M199-Y316 WeakPolarHBondContact O-CE1 3.19Å; M199-Y316 PolarHBondContact O-OH 3.21Å; M199-S325 PolarHBondContact N-O 3.13Å; M199-Y326 HydrophobicContact CB-CD2 3.87Å; M199-Y326 HydrophobicContact CB-CE2 4.13Å; M199-Y326 HydrophobicContact CG-CE2 4.27Å; M199-Y326 CarbonylContact O-C 3.6Å; M199-Y326 WeakPolarHBondContact O-CA 3.46Å; M199-M327 PolarHBondContact O-N 3.22Å
200	Y	95	Very high	93	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.039	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.1	166.5	-160.2	-74.3	0	0	0	107.2	M202 Y224 M229 L284 I314 M327 C329	Y200-M202 HydrophobicContact CD1-CG 3.84Å; Y200-M202 HydrophobicContact CE1-CG 3.81Å; Y200-Y224 HydrophobicContact CD2-CE2 4.45Å; Y200-Y224 HydrophobicContact CE2-CD2 4.02Å; Y200-Y224 HydrophobicContact CE2-CE2 4.26Å; Y200-M229 HydrophobicContact CD2-CE 3.85Å; Y200-M229 HydrophobicContact CD2-SD 4.46Å; Y200-M229 HydrophobicContact CE2-CE 4.44Å; Y200-M229 HydrophobicContact CG-CE 4.39Å; Y200-L284 HydrophobicContact CD1-CD1 4.03Å; Y200-L284 HydrophobicContact CD2-CD1 3.98Å; Y200-L284 HydrophobicContact CE1-CD1 3.75Å; Y200-L284 HydrophobicContact CE2-CD1 3.71Å; Y200-L284 HydrophobicContact CG-CD1 4.15Å; Y200-I314 PolarHBondContact N-O 3.24Å; Y200-I314 PolarHBondContact O-N 3.21Å; Y200-M327 WeakPolarHBondContact CA-O 3.26Å; Y200-M327 HydrophobicContact CD2-CB 3.4Å; Y200-M327 VanDerWaalsContact CD2-CB 3.4Å; Y200-M327 HydrophobicContact CD2-CE 4.2Å; Y200-M327 HydrophobicContact CD2-CG 4.32Å; Y200-M327 HydrophobicContact CD2-SD 4.12Å; Y200-M327 HydrophobicContact CE2-CB 3.71Å; Y200-M327 HydrophobicContact CE2-SD 4.13Å; Y200-M327 HydrophobicContact CG-CB 4.12Å; Y200-C329 HydrophobicContact CE1-CB 3.76Å
201	L	94	Very high	93.3	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.6	174.9	174.3	54.7	0	0	0	109.8	M203 N311 Y313 Y326 M327 T328 C329	L201-M203 HydrophobicContact CD1-CB 4.28Å; L201-M203 HydrophobicContact CD2-CE 3.99Å; L201-M203 HydrophobicContact CD2-SD 3.58Å; L201-M203 VanDerWaalsContact CD2-SD 3.58Å; L201-M203 HydrophobicContact CG-CB 4.23Å; L201-M203 HydrophobicContact CG-CG 4.45Å; L201-M203 HydrophobicContact CG-SD 3.97Å; L201-N311 HydrophobicContact CD1-CB 4.09Å; L201-Y313 HydrophobicContact CB-CD1 4.44Å; L201-Y313 HydrophobicContact CD1-CD1 3.79Å; L201-Y313 HydrophobicContact CD1-CD2 4.25Å; L201-Y313 HydrophobicContact CD1-CE1 3.68Å; L201-Y313 HydrophobicContact CD1-CE2 4.14Å; L201-Y313 HydrophobicContact CD1-CG 4.08Å; L201-Y313 HydrophobicContact CD2-CE1 4.06Å; L201-Y313 HydrophobicContact CG-CE1 4.32Å; L201-Y326 WeakPolarHBondContact CB-OH 3.4Å; L201-Y326 WeakPolarHBondContact CD2-OH 2.77Å; L201-M327 PolarHBondContact N-O 2.67Å; L201-T328 HydrophobicContact CB-CG2 4.4Å; L201-T328 CarbonylContact O-C 3.55Å; L201-T328 WeakPolarHBondContact O-CA 2.96Å; L201-T328 WeakPolarHBondContact O-CG2 3.43Å; L201-C329 PolarHBondContact O-N 3.21Å
202	M	96.4	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.5	162.1	-56.4	-171.6	67.9	0	0	108.3	Y200 I220 L284 A286 F312 I314 C329	Y200-M202 HydrophobicContact CD1-CG 3.84Å; Y200-M202 HydrophobicContact CE1-CG 3.81Å; M202-I220 HydrophobicContact CB-CD1 4.42Å; M202-I220 HydrophobicContact CB-CG2 4.07Å; M202-I220 HydrophobicContact CE-CB 4.13Å; M202-I220 HydrophobicContact CE-CG2 3.84Å; M202-I220 VanDerWaalsContact CE-O 3.28Å; M202-I220 WeakPolarHBondContact CE-O 3.33Å; M202-L284 HydrophobicContact CE-CB 4.18Å; M202-L284 VanDerWaalsContact CE-O 3.31Å; M202-L284 WeakPolarHBondContact CE-O 3.35Å; M202-L284 HydrophobicContact SD-CB 3.96Å; M202-A286 HydrophobicContact CB-CB 4.32Å; M202-A286 HydrophobicContact CE-CB 3.81Å; M202-A286 HydrophobicContact SD-CB 3.8Å; M202-F312 HydrophobicContact CB-CB 4.27Å; M202-F312 PolarHBondContact N-O 2.84Å; M202-F312 PolarHBondContact O-N 3.44Å; M202-I314 HydrophobicContact SD-CD1 4.31Å; M202-C329 WeakPolarHBondContact CA-O 3.4Å; M202-C329 HydrophobicContact CG-CB 4.3Å
203	M	92.6	Very high	93.4	Very high	51 Å²	51	36.7 Å²	36.7	25%	0.251	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.1	180	67.6	-158.6	-52.4	0	0	112.9	L201 I220 C310 N311 T328 C329 T330	L201-M203 HydrophobicContact CD1-CB 4.28Å; L201-M203 HydrophobicContact CD2-CE 3.99Å; L201-M203 HydrophobicContact CD2-SD 3.58Å; L201-M203 VanDerWaalsContact CD2-SD 3.58Å; L201-M203 HydrophobicContact CG-CB 4.23Å; L201-M203 HydrophobicContact CG-CG 4.45Å; L201-M203 HydrophobicContact CG-SD 3.97Å; M203-I220 VanDerWaalsContact C-CD1 3.41Å; M203-C310 WeakPolarHBondContact CA-O 3.49Å; M203-N311 WeakPolarHBondContact CB-OD1 3.5Å; M203-T328 HydrophobicContact CG-CG2 4.47Å; M203-T328 HydrophobicContact SD-CG2 3.95Å; M203-C329 PolarHBondContact N-O 2.98Å; M203-T330 HydrophobicContact CG-CG2 3.67Å; M203-T330 WeakPolarHBondContact O-CA 3.45Å; M203-T330 HydrophobicContact SD-CG2 4Å
204	S	92.1	Very high	93.3	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.035	24%	0.24	C	C	.	.			trans	-83.7	151.5	166.8	-171.8	0	0	0	0	110.1	T207 C310	S204-T207 PolarHBondContact OG-OG1 2.84Å; S204-C310 PolarHBondContact N-O 3.3Å
205	V	86.7	Confident	93.3	Very high	85 Å²	85	41.8 Å²	41.8	52%	0.515	24%	0.238	S	C	.	.	S	Bend	trans	-130.6	-14.1	179	-61.6	0	0	0	0	113.6	T330	V205-T330 HydrophobicContact CG1-CG2 3.93Å
206	N	87	Confident	93.3	Very high	131 Å²	131	40.5 Å²	40.5	70%	0.701	23%	0.232	S	C	*	.	S	Bend	trans	-131.3	9.1	-169.4	66.2	-18.3	0	0	0	114.2
207	T	90.4	Very high	93.4	Very high	15 Å²	15	43.6 Å²	43.6	9%	0.092	25%	0.248	C	C	.	.			trans	-67.5	133.8	174.5	-56	0	0	0	0	110.8	S204 I209 V216 A218 I301	S204-T207 PolarHBondContact OG-OG1 2.84Å; T207-I209 HydrophobicContact CG2-CG1 4.18Å; T207-V216 HydrophobicContact CG2-CG1 4.17Å; T207-A218 HydrophobicContact CG2-CB 4.02Å; T207-A218 WeakPolarHBondContact OG1-CB 3.3Å; T207-I301 PolarHBondContact O-N 3.39Å
208	V	94.9	Very high	93.5	Very high	60 Å²	60	43.7 Å²	43.7	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	165.9	-172.8	0	0	0	0	107.9	E298	V208-E298 HydrophobicContact CG1-CB 4.07Å; V208-E298 HydrophobicContact CG1-CG 4.39Å
209	I	95.9	Very high	93.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.1	177.9	-56.8	161.9	0	0	0	107.1	T207 V216 L241 F290 T299 E308	T207-I209 HydrophobicContact CG2-CG1 4.18Å; I209-V216 HydrophobicContact CG1-CB 4.41Å; I209-V216 HydrophobicContact CG1-CG1 4.15Å; I209-V216 HydrophobicContact CG2-CB 4.43Å; I209-V216 HydrophobicContact CG2-CG2 4.06Å; I209-L241 HydrophobicContact CD1-CD1 4.07Å; I209-L241 HydrophobicContact CG2-CD1 4.26Å; I209-F290 HydrophobicContact CD1-CB 3.71Å; I209-F290 HydrophobicContact CD1-CD1 3.76Å; I209-F290 HydrophobicContact CD1-CD2 4.02Å; I209-F290 HydrophobicContact CD1-CE1 4.4Å; I209-F290 HydrophobicContact CD1-CG 3.56Å; I209-F290 HydrophobicContact CG1-CB 4.08Å; I209-F290 HydrophobicContact CG1-CD2 4.43Å; I209-F290 HydrophobicContact CG1-CG 4.24Å; I209-T299 PolarHBondContact N-O 2.82Å; I209-T299 PolarHBondContact O-N 2.88Å; I209-E308 HydrophobicContact CD1-CB 3.97Å; I209-E308 HydrophobicContact CD1-CG 3.83Å
210	P	95.3	Very high	93.9	Very high	50 Å²	50	45.4 Å²	45.4	33%	0.325	26%	0.258	S	S	.	.			trans	-67.7	148.5	178.4	-21.5	34.5	0	0	0	112.3	G212 E213	P210-G212 PolarHBondContact O-N 2.89Å; P210-E213 HydrophobicContact CB-CB 4.25Å; P210-E213 PolarHBondContact O-N 2.84Å
211	P	95.4	Very high	94	Very high	56 Å²	56	44.9 Å²	44.9	36%	0.364	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	133.6	178.9	26.3	-32.8	0	0	0	111.2	E213 R295	P211-E213 PolarHBondContact O-N 2.04Å; P211-R295 WeakPolarHBondContact CB-O 3.47Å
212	G	91.3	Very high	94	Very high	46 Å²	46	45.3 Å²	45.3	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	-5.9	-179.7	0	0	0	0	0	116	P210 G292	P210-G212 PolarHBondContact O-N 2.89Å; G212-G292 PolarHBondContact N-O 2.94Å
213	E	94.6	Very high	93.9	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.43	28%	0.277	S	S	.	.			trans	-68.4	133.6	178.2	-173.9	50.2	-99	0	0	111	P210 P211 V216 S291 G292	P210-E213 HydrophobicContact CB-CB 4.25Å; P210-E213 PolarHBondContact O-N 2.84Å; P211-E213 PolarHBondContact O-N 2.04Å; E213-V216 HydrophobicContact CB-CG2 4.07Å; E213-V216 HydrophobicContact CG-CG2 3.66Å; E213-S291 PolarHBondContact O-OG 3.04Å; E213-G292 WeakPolarHBondContact O-CA 3.41Å; E213-G292 PolarHBondContact O-N 2.87Å
214	K	92.4	Very high	93.9	Very high	132 Å²	132	46.8 Å²	46.8	57%	0.574	27%	0.265	S	S	*	.	S	Bend	trans	-74.7	-40.8	-170.3	-69.7	-170.5	175.2	-69.7	0	112.6	S291 E293	K214-S291 WeakPolarHBondContact O-CB 3.46Å; K214-S291 PolarHBondContact O-OG 3.35Å; K214-E293 HydrophobicContact CG-CG 4.48Å; K214-E293 IonicContact NZ-OE1 2.75Å; K214-E293 PolarHBondContact NZ-OE1 3.37Å
215	V	95.2	Very high	93.8	Very high	87 Å²	87	48 Å²	48	53%	0.527	27%	0.27	S	S	.	.			trans	-140.4	121.3	-173.9	-177.6	0	0	0	0	108.8	V289 F290	V215-V289 HydrophobicContact CG1-CG1 3.84Å; V215-F290 WeakPolarHBondContact CA-O 3.31Å
216	V	96	Very high	93.9	Very high	20 Å²	20	51.2 Å²	51.2	12%	0.121	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.4	172.6	179.4	0	0	0	0	108.7	T207 I209 E213 F290	T207-V216 HydrophobicContact CG2-CG1 4.17Å; I209-V216 HydrophobicContact CG1-CB 4.41Å; I209-V216 HydrophobicContact CG1-CG1 4.15Å; I209-V216 HydrophobicContact CG2-CB 4.43Å; I209-V216 HydrophobicContact CG2-CG2 4.06Å; E213-V216 HydrophobicContact CB-CG2 4.07Å; E213-V216 HydrophobicContact CG-CG2 3.66Å; V216-F290 HydrophobicContact CB-CB 4.3Å; V216-F290 PolarHBondContact N-O 2.87Å; V216-F290 PolarHBondContact O-N 3.29Å
217	D	96.4	Very high	94.1	Very high	65 Å²	65	50.1 Å²	50.1	35%	0.348	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.5	178.1	-69.1	-40.2	0	0	0	111.1	R287	D217-R287 IonicContact OD1-CZ 2.62Å; D217-R287 IonicContact OD1-NE 2.82Å; D217-R287 IonicContact OD1-NH1 2.7Å; D217-R287 PolarHBondContact OD1-NH1 2.73Å; D217-R287 IonicContact OD2-CZ 2.87Å; D217-R287 IonicContact OD2-NH1 3.23Å; D217-R287 PolarHBondContact OD2-NH1 3.28Å; D217-R287 IonicContact OD2-NH2 2.77Å; D217-R287 PolarHBondContact OD2-NH2 3.4Å
218	A	96.5	Very high	94.4	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	101	167	0	0	0	0	0	109.5	T207 R287 C288 F290 C310	T207-A218 HydrophobicContact CG2-CB 4.02Å; T207-A218 WeakPolarHBondContact OG1-CB 3.3Å; A218-R287 WeakPolarHBondContact O-CA 3.28Å; A218-C288 HydrophobicContact CB-CB 4.23Å; A218-C288 PolarHBondContact N-O 2.92Å; A218-C288 PolarHBondContact O-N 2.77Å; A218-F290 HydrophobicContact CB-CD2 4.23Å; A218-F290 HydrophobicContact CB-CE2 3.7Å; A218-C310 HydrophobicContact CB-CB 4.09Å
219	D	97.3	Very high	94.4	Very high	36 Å²	36	48.9 Å²	48.9	19%	0.193	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.2	-177	-73.3	-25.8	0	0	0	111.9	R287 N332 F338	D219-R287 VanDerWaalsContact CG-NH2 3.33Å; D219-R287 WeakPolarHBondContact OD1-CB 3.44Å; D219-R287 WeakPolarHBondContact OD1-CG 3.4Å; D219-R287 IonicContact OD1-CZ 3.34Å; D219-R287 IonicContact OD1-NE 3.68Å; D219-R287 PolarHBondContact OD1-NE 2.83Å; D219-R287 IonicContact OD1-NH2 2.8Å; D219-R287 PolarHBondContact OD1-NH2 2.8Å; D219-R287 VanDerWaalsContact OD1-NH2 3.16Å; D219-R287 IonicContact OD2-CZ 3.34Å; D219-R287 IonicContact OD2-NE 2.72Å; D219-R287 IonicContact OD2-NH2 3.15Å; D219-R287 PolarHBondContact OD2-NH2 3.12Å; D219-N332 WeakPolarHBondContact CB-ND2 3.36Å; D219-N332 WeakPolarHBondContact O-CB 3.06Å; D219-N332 PolarHBondContact O-ND2 2.79Å; D219-F338 HydrophobicContact CB-CD1 3.83Å; D219-F338 HydrophobicContact CB-CD2 4.07Å; D219-F338 HydrophobicContact CB-CE1 3.68Å; D219-F338 HydrophobicContact CB-CE2 3.93Å; D219-F338 HydrophobicContact CB-CG 4.02Å; D219-F338 HydrophobicContact CB-CZ 3.74Å; D219-F338 WeakPolarHBondContact OD1-CD1 3.42Å; D219-F338 WeakPolarHBondContact OD1-CE1 3.49Å; D219-F338 WeakPolarHBondContact OD2-CB 3.29Å; D219-F338 WeakPolarHBondContact OD2-CD1 3.43Å; D219-F338 WeakPolarHBondContact OD2-CG 3.45Å
220	I	97.4	Very high	94.4	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.8	-177.7	-52.1	153.5	0	0	0	107.8	M202 M203 A285 A286 C310 C329 Q331	M202-I220 HydrophobicContact CB-CD1 4.42Å; M202-I220 HydrophobicContact CB-CG2 4.07Å; M202-I220 HydrophobicContact CE-CB 4.13Å; M202-I220 HydrophobicContact CE-CG2 3.84Å; M202-I220 VanDerWaalsContact CE-O 3.28Å; M202-I220 WeakPolarHBondContact CE-O 3.33Å; M203-I220 VanDerWaalsContact C-CD1 3.41Å; I220-A285 CarbonylContact O-C 3.59Å; I220-A285 VanDerWaalsContact O-CA 3.32Å; I220-A285 WeakPolarHBondContact O-CA 3.47Å; I220-A286 PolarHBondContact N-O 2.86Å; I220-A286 PolarHBondContact O-N 2.88Å; I220-C310 VanDerWaalsContact CD1-SG 3.55Å; I220-C329 HydrophobicContact CG2-CB 4.31Å; I220-C329 VanDerWaalsContact CG2-SG 3.57Å; I220-Q331 CarbonylContact C-O 3.55Å
221	A	96.3	Very high	94.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	130.3	177.8	0	0	0	0	0	113.3	I283 L284 A285 C329 Q331 A333 F338	A221-I283 HydrophobicContact CB-CG2 4.04Å; A221-L284 VanDerWaalsContact CA-O 3.25Å; A221-L284 WeakPolarHBondContact CA-O 3.13Å; A221-A285 HydrophobicContact CB-CB 4.34Å; A221-C329 VanDerWaalsContact C-SG 3.53Å; A221-Q331 CarbonylContact C-O 3.42Å; A221-Q331 PolarHBondContact N-O 2.61Å; A221-Q331 VanDerWaalsContact O-O 3.12Å; A221-A333 WeakPolarHBondContact O-CB 3.28Å; A221-A333 PolarHBondContact O-N 2.81Å; A221-F338 HydrophobicContact CB-CE2 3.7Å; A221-F338 HydrophobicContact CB-CZ 3.9Å
222	C	94.8	Very high	94.3	Very high	16 Å²	16	48.8 Å²	48.8	11%	0.108	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.2	173.8	-63.9	0	0	0	0	111.5	I283 L284 C329	C222-I283 WeakPolarHBondContact O-CA 3.33Å; C222-L284 PolarHBondContact N-O 2.89Å; C222-L284 PolarHBondContact O-N 2.86Å; C222-C329 HydrophobicContact CB-CB 3.7Å; C222-C329 WeakPolarHBondContact CB-SG 3.16Å; C222-C329 PolarHBondContact N-SG 3.23Å; C222-C329 VanDerWaalsContact N-SG 3.42Å; C222-C329 VanDerWaalsContact SG-CA 3.52Å; C222-C329 WeakPolarHBondContact SG-CB 3.12Å; C222-C329 CovalentContact SG-SG 2.03Å; C222-C329 PolarHBondContact SG-SG 2.86Å
223	H	93.6	Very high	94.4	Very high	80 Å²	80	46.6 Å²	46.6	37%	0.37	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.6	168.5	-72.8	-93.7	0	0	0	111	K225 D282 I283	H223-K225 HydrophobicContact CB-CG 4.13Å; H223-D282 CarbonylContact C-O 3.54Å; H223-D282 WeakPolarHBondContact CA-O 3.3Å; H223-I283 VanDerWaalsContact CE1-CG1 3.5Å; H223-I283 WeakPolarHBondContact CE1-CG1 3.46Å
224	Y	93.1	Very high	94.4	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.012	21%	0.205	C	C	.	.			trans	-83.7	127.3	172.7	-171.3	-95.6	0	0	0	111	Y200 R226 F227 M229 V278 H279 D281 D282 L284 M327	Y200-Y224 HydrophobicContact CD2-CE2 4.45Å; Y200-Y224 HydrophobicContact CE2-CD2 4.02Å; Y200-Y224 HydrophobicContact CE2-CE2 4.26Å; Y224-R226 HydrophobicContact CE1-CB 4.09Å; Y224-R226 WeakPolarHBondContact CE1-O 3.32Å; Y224-F227 WeakPolarHBondContact CE1-O 3.01Å; Y224-F227 PolarHBondContact OH-O 2.82Å; Y224-M229 HydrophobicContact CD2-CE 3.57Å; Y224-M229 HydrophobicContact CD2-SD 4.3Å; Y224-M229 HydrophobicContact CE1-CG 4.38Å; Y224-M229 HydrophobicContact CE2-CE 3.25Å; Y224-M229 HydrophobicContact CE2-CG 3.95Å; Y224-M229 HydrophobicContact CE2-SD 3.38Å; Y224-M229 WeakPolarHBondContact CE2-SD 3.44Å; Y224-M229 WeakPolarHBondContact OH-CB 3.36Å; Y224-M229 WeakPolarHBondContact OH-CG 3.39Å; Y224-M229 PolarHBondContact OH-SD 2.87Å; Y224-V278 HydrophobicContact CD1-CB 4.46Å; Y224-V278 HydrophobicContact CD1-CG1 3.76Å; Y224-V278 HydrophobicContact CD2-CG1 4Å; Y224-V278 HydrophobicContact CE1-CG1 4.41Å; Y224-V278 HydrophobicContact CG-CB 4.49Å; Y224-V278 HydrophobicContact CG-CG1 3.5Å; Y224-H279 WeakPolarHBondContact CD1-O 3.35Å; Y224-D281 PolarHBondContact O-N 2.76Å; Y224-D282 PolarHBondContact N-O 2.95Å; Y224-L284 HydrophobicContact CD2-CD1 4.07Å; Y224-M327 HydrophobicContact CE2-CE 3.81Å; Y224-M327 HydrophobicContact CE2-SD 3.89Å
225	K	88.5	Confident	94.4	Very high	31 Å²	31	37 Å²	37	14%	0.135	18%	0.179	C	C	.	.			trans	-139.3	31.3	-160	-69.5	-74.6	157.5	87	0	113.7	H223 F280 D281 P746	H223-K225 HydrophobicContact CB-CG 4.13Å; K225-F280 HydrophobicContact CB-CE2 4.29Å; K225-F280 HydrophobicContact CD-CD1 4.4Å; K225-F280 HydrophobicContact CD-CD2 4.31Å; K225-F280 HydrophobicContact CD-CE1 3.86Å; K225-F280 HydrophobicContact CD-CE2 3.75Å; K225-F280 HydrophobicContact CD-CZ 3.5Å; K225-F280 VanDerWaalsContact CD-CZ 3.5Å; K225-D281 WeakPolarHBondContact CE-OD1 3.45Å; K225-D281 IonicContact NZ-OD1 3.76Å; K225-D281 PolarHBondContact NZ-OD1 3.37Å; K225-P746 HydrophobicContact CB-CB 3.88Å; K225-P746 HydrophobicContact CD-CB 3.8Å; K225-P746 VanDerWaalsContact CD-O 3.23Å; K225-P746 WeakPolarHBondContact CD-O 3.31Å; K225-P746 WeakPolarHBondContact CE-O 3.32Å; K225-P746 HydrophobicContact CG-CB 3.47Å; K225-P746 VanDerWaalsContact CG-CB 3.47Å; K225-P746 PolarHBondContact NZ-O 3.33Å
226	R	90.2	Very high	94.4	Very high	152 Å²	152	32.9 Å²	32.9	57%	0.574	15%	0.154	S	C	*	.	S	Bend	trans	-128.2	180	178.3	-61.2	-63	-173.4	178.1	1.1	110	Y224 M327	Y224-R226 HydrophobicContact CE1-CB 4.09Å; Y224-R226 WeakPolarHBondContact CE1-O 3.32Å; R226-M327 HydrophobicContact CG-SD 3.94Å
227	F	91.7	Very high	94.1	Very high	107 Å²	107	33.3 Å²	33.3	47%	0.469	16%	0.155	S	C	.	.	S	Bend	trans	-57	158.3	169.3	-75	-87.1	0	0	0	111.4	Y224 M229 M318 H322	Y224-F227 WeakPolarHBondContact CE1-O 3.01Å; Y224-F227 PolarHBondContact OH-O 2.82Å; F227-M229 PolarHBondContact O-N 2.99Å; F227-M318 HydrophobicContact CB-CE 4Å; F227-M318 WeakPolarHBondContact O-CE 3.44Å; F227-H322 HydrophobicContact CB-CB 3.74Å; F227-H322 HydrophobicContact CD1-CB 4.29Å; F227-H322 AromaticContact CD1-CD2 3.45Å; F227-H322 VanDerWaalsContact CD1-CD2 3.45Å; F227-H322 WeakPolarHBondContact CD1-CD2 3.4Å; F227-H322 AromaticContact CD1-CG 3.75Å; F227-H322 HydrophobicContact CD2-CB 3.67Å; F227-H322 AromaticContact CD2-CG 3.67Å; F227-H322 AromaticContact CD2-ND1 3.86Å; F227-H322 AromaticContact CE1-CD2 3.74Å; F227-H322 HydrophobicContact CE2-CB 4.37Å; F227-H322 AromaticContact CE2-CE1 3.69Å; F227-H322 AromaticContact CE2-CG 3.95Å; F227-H322 AromaticContact CE2-ND1 3.67Å; F227-H322 HydrophobicContact CG-CB 3.63Å; F227-H322 AromaticContact CG-CD2 3.73Å; F227-H322 AromaticContact CG-CG 3.56Å; F227-H322 AromaticContact CZ-ND1 3.75Å; F227-H322 AromaticContact CZ-NE2 3.81Å
228	P	94.8	Very high	93.8	Very high	49 Å²	49	30.4 Å²	30.4	32%	0.318	14%	0.14	S	C	.	.			trans	-57.6	139.2	-174.9	-25.7	35.4	0	0	0	113.5	V278	P228-V278 VanDerWaalsContact CA-O 3.26Å; P228-V278 WeakPolarHBondContact CA-O 3.36Å
229	M	96.6	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.9	171.6	71.1	176.7	179.9	0	0	111	Y200 Y224 F227 L231 V278 L284 Y316 M318 M327	Y200-M229 HydrophobicContact CD2-CE 3.85Å; Y200-M229 HydrophobicContact CD2-SD 4.46Å; Y200-M229 HydrophobicContact CE2-CE 4.44Å; Y200-M229 HydrophobicContact CG-CE 4.39Å; Y224-M229 HydrophobicContact CD2-CE 3.57Å; Y224-M229 HydrophobicContact CD2-SD 4.3Å; Y224-M229 HydrophobicContact CE1-CG 4.38Å; Y224-M229 HydrophobicContact CE2-CE 3.25Å; Y224-M229 HydrophobicContact CE2-CG 3.95Å; Y224-M229 HydrophobicContact CE2-SD 3.38Å; Y224-M229 WeakPolarHBondContact CE2-SD 3.44Å; Y224-M229 WeakPolarHBondContact OH-CB 3.36Å; Y224-M229 WeakPolarHBondContact OH-CG 3.39Å; Y224-M229 PolarHBondContact OH-SD 2.87Å; F227-M229 PolarHBondContact O-N 2.99Å; M229-L231 HydrophobicContact CE-CD2 3.99Å; M229-L231 HydrophobicContact CG-CD2 4.19Å; M229-L231 HydrophobicContact SD-CD2 4.31Å; M229-V278 HydrophobicContact CE-CB 3.95Å; M229-V278 HydrophobicContact CE-CG1 4.15Å; M229-V278 HydrophobicContact CE-CG2 3.95Å; M229-V278 HydrophobicContact CG-CB 3.92Å; M229-V278 HydrophobicContact CG-CG2 4.33Å; M229-V278 PolarHBondContact N-O 3.34Å; M229-V278 PolarHBondContact O-N 2.94Å; M229-L284 HydrophobicContact CE-CD1 3.66Å; M229-Y316 HydrophobicContact CB-CD2 4Å; M229-Y316 HydrophobicContact CB-CG 4.06Å; M229-Y316 HydrophobicContact CE-CD1 4.39Å; M229-Y316 HydrophobicContact CG-CG 4.22Å; M229-Y316 HydrophobicContact SD-CD1 3.36Å; M229-Y316 WeakPolarHBondContact SD-CD1 3.38Å; M229-Y316 HydrophobicContact SD-CD2 4.02Å; M229-Y316 HydrophobicContact SD-CE1 3.82Å; M229-Y316 HydrophobicContact SD-CE2 4.46Å; M229-Y316 HydrophobicContact SD-CG 3.47Å; M229-M318 HydrophobicContact CB-CG 3.53Å; M229-M318 HydrophobicContact CB-SD 4.14Å; M229-M327 HydrophobicContact SD-CE 3.8Å
230	H	95.7	Very high	92.7	Very high	73 Å²	73	35.5 Å²	35.5	34%	0.338	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.6	-177.1	-58.5	-73.8	0	0	0	110	Y316 Y317	H230-Y316 CarbonylContact O-C 3.42Å; H230-Y316 WeakPolarHBondContact O-CA 3.28Å; H230-Y317 HydrophobicContact CB-CD1 4.33Å; H230-Y317 HydrophobicContact CB-CD2 3.99Å; H230-Y317 HydrophobicContact CB-CE1 3.87Å; H230-Y317 HydrophobicContact CB-CE2 3.5Å; H230-Y317 HydrophobicContact CB-CG 4.38Å; H230-Y317 VanDerWaalsContact CB-CZ 3.42Å; H230-Y317 AromaticContact CD2-CE2 3.62Å; H230-Y317 AromaticContact CG-CE2 3.79Å; H230-Y317 PolarHBondContact N-O 2.8Å; H230-Y317 PolarHBondContact O-N 2.91Å
231	L	95.5	Very high	92.4	Very high	7 Å²	7	36 Å²	36	4%	0.037	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.8	-175	-45.1	-173.7	0	0	0	109.8	M229 I258 V272 V276 V278 I314	M229-L231 HydrophobicContact CE-CD2 3.99Å; M229-L231 HydrophobicContact CG-CD2 4.19Å; M229-L231 HydrophobicContact SD-CD2 4.31Å; L231-I258 HydrophobicContact CD1-CB 4.22Å; L231-I258 HydrophobicContact CD1-CD1 3.56Å; L231-I258 HydrophobicContact CD1-CG1 3.65Å; L231-I258 HydrophobicContact CD1-CG2 3.55Å; L231-V272 HydrophobicContact CB-CG2 4.23Å; L231-V276 HydrophobicContact CB-CB 4.28Å; L231-V276 HydrophobicContact CD1-CB 3.99Å; L231-V276 HydrophobicContact CD1-CG1 3.83Å; L231-V276 HydrophobicContact CG-CB 4.2Å; L231-V276 HydrophobicContact CG-CG1 4.32Å; L231-V276 PolarHBondContact N-O 3.07Å; L231-V278 HydrophobicContact CD1-CG2 3.76Å; L231-V278 HydrophobicContact CD2-CG2 3.88Å; L231-V278 HydrophobicContact CG-CG2 3.87Å; L231-I314 HydrophobicContact CB-CG2 4.21Å; L231-I314 HydrophobicContact CD1-CG2 3.92Å; L231-I314 HydrophobicContact CD2-CG2 3.72Å; L231-I314 HydrophobicContact CG-CG2 4.15Å
232	F	92.9	Very high	92.3	Very high	25 Å²	25	36 Å²	36	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	-23.2	-179.4	72.4	-90.5	0	0	0	114.8	L145 P146 S271 V272 M315 Y317	L145-F232 HydrophobicContact CD2-CE2 3.89Å; L145-F232 HydrophobicContact CD2-CZ 3.6Å; P146-F232 HydrophobicContact CG-CB 4.26Å; P146-F232 HydrophobicContact CG-CD1 4.43Å; P146-F232 HydrophobicContact CG-CD2 4.07Å; P146-F232 HydrophobicContact CG-CG 4.01Å; F232-S271 WeakPolarHBondContact O-CA 3.39Å; F232-V272 PolarHBondContact O-N 3.23Å; F232-M315 HydrophobicContact CD1-CB 4.17Å; F232-M315 HydrophobicContact CD2-CB 4.48Å; F232-M315 HydrophobicContact CE1-CB 3.71Å; F232-M315 HydrophobicContact CE2-CB 4.02Å; F232-M315 HydrophobicContact CE2-SD 3.68Å; F232-M315 HydrophobicContact CZ-CB 3.63Å; F232-M315 HydrophobicContact CZ-CG 4.21Å; F232-M315 HydrophobicContact CZ-SD 3.68Å; F232-M315 PolarHBondContact N-O 2.91Å; F232-Y317 HydrophobicContact CB-CE1 4.39Å; F232-Y317 AromaticContact CD1-CD1 3.67Å; F232-Y317 HydrophobicContact CD1-CD1 3.67Å; F232-Y317 HydrophobicContact CD1-CE1 4.32Å; F232-Y317 HydrophobicContact CE1-CD1 4.23Å; F232-Y317 HydrophobicContact CG-CD1 4.4Å
233	A	93.1	Very high	92.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.3	170.2	0	0	0	0	0	112	T143 F269 Y270 M315	T143-A233 HydrophobicContact CG2-CB 3.68Å; A233-F269 HydrophobicContact CB-CB 4.18Å; A233-F269 HydrophobicContact CB-CD1 4.48Å; A233-Y270 CarbonylContact C-O 3.57Å; A233-Y270 WeakPolarHBondContact CA-O 3.45Å; A233-Y270 WeakPolarHBondContact CB-O 3.46Å; A233-M315 HydrophobicContact CB-CB 4.09Å; A233-M315 HydrophobicContact CB-CG 4.38Å; A233-M315 HydrophobicContact CB-SD 4.13Å; A233-M315 PolarHBondContact O-N 2.71Å
234	Y	94.1	Very high	92.4	Very high	14 Å²	14	35 Å²	35	6%	0.055	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.1	176.1	71.5	-79.7	0	0	0	111.2	V236 R260 Q261 F269 Y270 V272 F312 Y313	Y234-V236 HydrophobicContact CD2-CG1 4.26Å; Y234-V236 HydrophobicContact CE2-CG1 4.3Å; Y234-R260 PolarHBondContact OH-N 3.38Å; Y234-R260 PolarHBondContact OH-O 2.98Å; Y234-Q261 HydrophobicContact CE2-CB 4.05Å; Y234-F269 CarbonylContact O-C 3.45Å; Y234-F269 WeakPolarHBondContact O-CA 3.48Å; Y234-Y270 WeakPolarHBondContact CD1-O 3.41Å; Y234-Y270 PolarHBondContact N-O 3.21Å; Y234-Y270 PolarHBondContact O-N 2.99Å; Y234-V272 HydrophobicContact CD1-CG2 4.13Å; Y234-F312 AromaticContact CD2-CE2 3.69Å; Y234-F312 HydrophobicContact CD2-CE2 3.69Å; Y234-F312 AromaticContact CD2-CZ 3.76Å; Y234-F312 HydrophobicContact CD2-CZ 3.76Å; Y234-F312 HydrophobicContact CE2-CE2 4.33Å; Y234-F312 HydrophobicContact CG-CE2 4.44Å; Y234-F312 HydrophobicContact CG-CZ 4.07Å; Y234-Y313 CarbonylContact C-O 3.51Å; Y234-Y313 WeakPolarHBondContact CA-O 3.25Å; Y234-Y313 WeakPolarHBondContact CB-O 3.26Å
235	R	93.2	Very high	92.6	Very high	8 Å²	8	34.9 Å²	34.9	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.2	173.2	169.3	-177.5	-179.6	-98.5	-6.9	109	H237 Q267 A268 F269 Y313	R235-H237 PolarHBondContact NH2-ND1 3.03Å; R235-Q267 WeakPolarHBondContact CD-O 3.29Å; R235-Q267 PolarHBondContact NE-O 3.26Å; R235-Q267 VanDerWaalsContact NH2-OE1 3.11Å; R235-A268 WeakPolarHBondContact CB-O 3.21Å; R235-F269 HydrophobicContact CB-CD1 3.52Å; R235-F269 HydrophobicContact CB-CD2 4.14Å; R235-F269 HydrophobicContact CB-CE1 3.52Å; R235-F269 HydrophobicContact CB-CE2 4.14Å; R235-F269 HydrophobicContact CB-CG 3.83Å; R235-F269 HydrophobicContact CB-CZ 3.83Å; R235-Y313 HydrophobicContact CB-CD2 4.47Å; R235-Y313 HydrophobicContact CG-CD2 4.32Å; R235-Y313 PolarHBondContact N-O 3.49Å; R235-Y313 PolarHBondContact O-N 2.86Å
236	V	93.8	Very high	93.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	148.1	170.7	-55.1	0	0	0	0	109.9	Y234 V245 Q261 P263 F312	Y234-V236 HydrophobicContact CD2-CG1 4.26Å; Y234-V236 HydrophobicContact CE2-CG1 4.3Å; V236-V245 HydrophobicContact CB-CB 4Å; V236-V245 HydrophobicContact CB-CG2 4.29Å; V236-V245 HydrophobicContact CG1-CB 3.86Å; V236-V245 HydrophobicContact CG1-CG1 4.25Å; V236-Q261 HydrophobicContact CB-CB 4.5Å; V236-Q261 HydrophobicContact CG1-CB 3.86Å; V236-Q261 HydrophobicContact CG2-CB 3.75Å; V236-Q261 HydrophobicContact CG2-CG 3.81Å; V236-P263 HydrophobicContact CG2-CB 4.11Å; V236-F312 HydrophobicContact CG1-CD2 3.8Å; V236-F312 HydrophobicContact CG1-CE2 3.93Å
237	H	90.5	Very high	93.4	Very high	30 Å²	30	26.1 Å²	26.1	14%	0.139	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	130	171.9	169.8	83.2	0	0	0	111.2	R235 H239 Q267 N311 Y313	R235-H237 PolarHBondContact NH2-ND1 3.03Å; H237-H239 AromaticContact NE2-CD2 3.89Å; H237-H239 AromaticContact NE2-NE2 3.84Å; H237-Q267 PolarHBondContact ND1-OE1 2.94Å; H237-N311 HydrophobicContact CB-CB 4.14Å; H237-N311 PolarHBondContact N-O 3.42Å; H237-N311 PolarHBondContact O-N 2.91Å; H237-Y313 HydrophobicContact CB-CE2 4.24Å
238	T	90.3	Very high	93.7	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	10%	0.096	C	C	.	.			trans	-142.9	174.2	165.3	74.4	0	0	0	0	108.1	V245 P263 Q267 F290 E308 M309	T238-V245 HydrophobicContact CG2-CG2 3.72Å; T238-P263 HydrophobicContact CG2-CB 3.75Å; T238-P263 HydrophobicContact CG2-CG 3.67Å; T238-P263 WeakPolarHBondContact OG1-CB 3.42Å; T238-P263 WeakPolarHBondContact OG1-CG 3.36Å; T238-Q267 PolarHBondContact O-NE2 3.24Å; T238-Q267 VanDerWaalsContact O-NE2 3.12Å; T238-F290 HydrophobicContact CG2-CE1 3.92Å; T238-F290 HydrophobicContact CG2-CZ 4.14Å; T238-E308 WeakPolarHBondContact CB-OE2 3.4Å; T238-M309 VanDerWaalsContact CA-O 3.24Å; T238-M309 WeakPolarHBondContact CA-O 3.44Å; T238-M309 VanDerWaalsContact CB-O 3.22Å; T238-M309 WeakPolarHBondContact CB-O 3.46Å; T238-M309 VanDerWaalsContact CG2-O 3.25Å; T238-M309 WeakPolarHBondContact CG2-O 3.45Å
239	H	85.4	Confident	93.8	Very high	31 Å²	31	20 Å²	20	14%	0.144	9%	0.086	C	C	.	.			trans	-85.5	-150.9	161.9	-53.6	161	0	0	0	109.9	H237 L241 Q264 T304 D307 E308	H237-H239 AromaticContact NE2-CD2 3.89Å; H237-H239 AromaticContact NE2-NE2 3.84Å; H239-L241 PolarHBondContact O-N 2.63Å; H239-Q264 PolarHBondContact O-NE2 3.19Å; H239-T304 PolarHBondContact CE1-O 3.4Å; H239-T304 PolarHBondContact ND1-O 2.58Å; H239-D307 PolarHBondContact ND1-O 2.88Å; H239-E308 WeakPolarHBondContact CA-OE1 3.28Å; H239-E308 WeakPolarHBondContact CA-OE2 3.28Å; H239-E308 HydrophobicContact CB-CG 4.48Å; H239-E308 WeakPolarHBondContact CB-OE2 3.36Å; H239-E308 IonicContact CG-OE2 2.93Å; H239-E308 PolarHBondContact N-OE1 3.13Å; H239-E308 PolarHBondContact N-OE2 2.91Å
240	R	85.9	Confident	93.8	Very high	114 Å²	114	20.2 Å²	20.2	43%	0.43	9%	0.087	S	C	.	.	S	Bend	trans	-76.5	-15.2	-163.7	-56.5	-174.7	-174.5	-172.7	-0.5	115.8	E308 H362	R240-E308 PolarHBondContact N-OE1 3.49Å; R240-H362 PolarHBondContact NH2-NE2 2.99Å; R240-H362 VanDerWaalsContact NH2-NE2 3.19Å
241	L	91.2	Very high	93.8	Very high	11 Å²	11	20.1 Å²	20.1	6%	0.058	8%	0.083	C	C	.	.	S	Bend	trans	-88.6	-29.1	-175	-54.5	-173.1	0	0	0	112.4	I209 H239 K243 F290 S291 R295 T299 E308	I209-L241 HydrophobicContact CD1-CD1 4.07Å; I209-L241 HydrophobicContact CG2-CD1 4.26Å; H239-L241 PolarHBondContact O-N 2.63Å; L241-K243 WeakPolarHBondContact O-CD 3.26Å; L241-K243 WeakPolarHBondContact O-CE 3.45Å; L241-K243 PolarHBondContact O-N 3Å; L241-K243 PolarHBondContact O-NZ 2.81Å; L241-F290 HydrophobicContact CB-CD1 4.1Å; L241-S291 WeakPolarHBondContact CB-O 3.48Å; L241-S291 PolarHBondContact O-N 3.11Å; L241-R295 HydrophobicContact CD1-CG 3.94Å; L241-R295 HydrophobicContact CD2-CG 4Å; L241-T299 HydrophobicContact CD1-CG2 3.98Å; L241-E308 WeakPolarHBondContact CA-OE1 3.43Å; L241-E308 HydrophobicContact CB-CG 3.95Å; L241-E308 VanDerWaalsContact CB-OE1 3.26Å; L241-E308 WeakPolarHBondContact CB-OE1 3.31Å; L241-E308 HydrophobicContact CD1-CG 4.02Å; L241-E308 HydrophobicContact CG-CG 4.05Å; L241-E308 PolarHBondContact N-OE1 3.32Å
242	G	93.6	Very high	93.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.			trans	-61.5	128.7	-179	0	0	0	0	0	113.4	P263 Q264 E308	G242-P263 WeakPolarHBondContact O-CG 3.43Å; G242-Q264 PolarHBondContact O-NE2 3.19Å; G242-E308 PolarHBondContact N-OE1 3.5Å
243	K	94.4	Very high	93.4	Very high	76 Å²	76	29.3 Å²	29.3	33%	0.33	15%	0.147	S	C	.	.			trans	-101.5	-43.7	-176.9	-51.6	-53	179.3	-163.8	0	112.3	L241 S262 V289 P348	L241-K243 WeakPolarHBondContact O-CD 3.26Å; L241-K243 WeakPolarHBondContact O-CE 3.45Å; L241-K243 PolarHBondContact O-N 3Å; L241-K243 PolarHBondContact O-NZ 2.81Å; K243-S262 WeakPolarHBondContact O-CB 3.3Å; K243-S262 PolarHBondContact O-OG 3.1Å; K243-V289 PolarHBondContact N-O 3.48Å; K243-P348 HydrophobicContact CB-CG 4.49Å
244	V	96.4	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.1	175.3	60.1	0	0	0	0	109.5	R260 V289 A345 I349	V244-R260 HydrophobicContact CG2-CG 3.95Å; V244-V289 HydrophobicContact CG1-CB 3.85Å; V244-V289 HydrophobicContact CG1-CG2 3.74Å; V244-V289 PolarHBondContact O-N 3.36Å; V244-A345 WeakPolarHBondContact CG1-O 3.45Å; V244-I349 HydrophobicContact CG2-CD1 4.48Å
245	V	97.8	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.9	168.1	-172.4	0	0	0	0	108.4	V236 T238 R260 Q261 P263 R287 C288 F312	V236-V245 HydrophobicContact CB-CB 4Å; V236-V245 HydrophobicContact CB-CG2 4.29Å; V236-V245 HydrophobicContact CG1-CB 3.86Å; V236-V245 HydrophobicContact CG1-CG1 4.25Å; T238-V245 HydrophobicContact CG2-CG2 3.72Å; V245-R260 WeakPolarHBondContact O-CA 3.44Å; V245-Q261 PolarHBondContact N-O 3.26Å; V245-Q261 PolarHBondContact O-N 3.32Å; V245-P263 HydrophobicContact CG2-CB 4.3Å; V245-P263 HydrophobicContact CG2-CG 4.09Å; V245-R287 WeakPolarHBondContact CA-O 3.07Å; V245-C288 HydrophobicContact CG1-CB 4.45Å; V245-C288 VanDerWaalsContact CG1-SG 3.52Å; V245-C288 HydrophobicContact CG2-CB 4Å; V245-F312 HydrophobicContact CG1-CB 4.28Å; V245-F312 HydrophobicContact CG1-CD2 3.81Å
246	S	97.7	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137	-179.3	-51.8	0	0	0	0	110.7	G259 R260 A286 R287 A345	S246-G259 WeakPolarHBondContact CA-O 3.45Å; S246-R260 WeakPolarHBondContact OG-CD 3.44Å; S246-R260 WeakPolarHBondContact OG-CG 3.32Å; S246-A286 CarbonylContact O-C 3.41Å; S246-A286 VanDerWaalsContact O-CA 3.23Å; S246-A286 WeakPolarHBondContact O-CA 3.5Å; S246-R287 PolarHBondContact N-O 3.01Å; S246-R287 PolarHBondContact O-N 3.49Å; S246-A345 WeakPolarHBondContact OG-CA 3.23Å
247	G	97.5	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144	176.9	0	0	0	0	0	112.2	I258 G259 A285	G247-I258 WeakPolarHBondContact O-CB 3.31Å; G247-I258 PolarHBondContact O-N 2.96Å; G247-G259 PolarHBondContact N-O 3.24Å; G247-G259 PolarHBondContact O-N 3.18Å; G247-A285 CarbonylContact C-O 3.55Å; G247-A285 WeakPolarHBondContact CA-O 3.38Å
248	Y	97.6	Very high	94.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.5	-170.4	-60.8	-92.1	0	0	0	111.9	W255 T256 L257 A285 I341 P342 E344 A345	Y248-W255 HydrophobicContact CD1-CB 4.33Å; Y248-W255 HydrophobicContact CD1-CE3 4.16Å; Y248-W255 AromaticContact CD2-CE3 3.91Å; Y248-W255 HydrophobicContact CD2-CE3 3.91Å; Y248-W255 HydrophobicContact CD2-CZ3 4.05Å; Y248-W255 AromaticContact CG-CE3 3.65Å; Y248-W255 HydrophobicContact CG-CE3 3.65Å; Y248-W255 HydrophobicContact CG-CZ3 4.21Å; Y248-T256 CarbonylContact C-O 3.54Å; Y248-T256 VanDerWaalsContact CA-O 3.22Å; Y248-T256 WeakPolarHBondContact CA-O 3.24Å; Y248-L257 HydrophobicContact CD1-CB 4.19Å; Y248-L257 HydrophobicContact CD1-CD1 4.05Å; Y248-L257 HydrophobicContact CE1-CB 4.04Å; Y248-L257 HydrophobicContact CE1-CD1 3.52Å; Y248-L257 HydrophobicContact CE1-CG 4.39Å; Y248-A285 PolarHBondContact N-O 3.04Å; Y248-A285 PolarHBondContact O-N 2.97Å; Y248-I341 HydrophobicContact CD2-CD1 4.44Å; Y248-I341 HydrophobicContact CE2-CD1 4.09Å; Y248-I341 HydrophobicContact CE2-CG1 4.19Å; Y248-P342 HydrophobicContact CD1-CG 4.5Å; Y248-P342 HydrophobicContact CE1-CB 4.3Å; Y248-P342 HydrophobicContact CE1-CG 3.91Å; Y248-E344 VanDerWaalsContact OH-CG 3.28Å; Y248-E344 WeakPolarHBondContact OH-CG 3.49Å; Y248-A345 HydrophobicContact CE2-CB 3.97Å; Y248-A345 WeakPolarHBondContact OH-CB 3.37Å
249	R	97.3	Very high	94.5	Very high	25 Å²	25	39.8 Å²	39.8	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.9	159.9	175.6	-157	71.1	-178.2	-0.3	108.3	W255 T256 I258 V276 D277 D282 I283	R249-W255 CarbonylContact O-C 3.55Å; R249-T256 PolarHBondContact N-O 3.31Å; R249-T256 PolarHBondContact NE-OG1 2.96Å; R249-T256 PolarHBondContact NH2-OG1 3.46Å; R249-T256 WeakPolarHBondContact O-CB 3.25Å; R249-T256 PolarHBondContact O-N 3.22Å; R249-I258 HydrophobicContact CB-CD1 4.33Å; R249-V276 HydrophobicContact CB-CG1 4.17Å; R249-D277 WeakPolarHBondContact CD-O 3.43Å; R249-D277 IonicContact CZ-OD1 3.32Å; R249-D277 PolarHBondContact NH1-O 3.4Å; R249-D277 IonicContact NH1-OD1 2.73Å; R249-D277 PolarHBondContact NH1-OD1 3.3Å; R249-D277 IonicContact NH1-OD2 3.16Å; R249-D277 PolarHBondContact NH1-OD2 3.37Å; R249-D282 WeakPolarHBondContact CD-OD2 3.49Å; R249-D282 HydrophobicContact CG-CB 4.07Å; R249-I283 CarbonylContact C-O 3.57Å; R249-I283 WeakPolarHBondContact CA-O 3.25Å
250	V	96.5	Very high	95	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.3	173.5	-167.9	0	0	0	0	109.5	Q254 W255 I283 A285 M337	V250-Q254 WeakPolarHBondContact CA-O 3.33Å; V250-W255 HydrophobicContact CG2-CD2 3.51Å; V250-W255 HydrophobicContact CG2-CE3 3.47Å; V250-W255 VanDerWaalsContact CG2-CE3 3.47Å; V250-W255 HydrophobicContact CG2-CG 4.03Å; V250-W255 HydrophobicContact CG2-CH2 4.3Å; V250-W255 HydrophobicContact CG2-CZ2 4.35Å; V250-W255 HydrophobicContact CG2-CZ3 3.87Å; V250-I283 HydrophobicContact CB-CB 4.33Å; V250-I283 PolarHBondContact N-O 3.28Å; V250-I283 PolarHBondContact O-N 2.95Å; V250-A285 HydrophobicContact CG2-CB 4.21Å; V250-M337 HydrophobicContact CB-CE 4.42Å; V250-M337 HydrophobicContact CB-SD 4.07Å; V250-M337 HydrophobicContact CG1-SD 3.88Å; V250-M337 HydrophobicContact CG2-CE 3.88Å; V250-M337 HydrophobicContact CG2-SD 4.06Å
251	R	95	Very high	95.4	Very high	70 Å²	70	37 Å²	37	26%	0.264	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.7	177	-174.6	177.8	-66	161.1	7.3	108.6	G253 Q254 D277 H279 D282	R251-G253 PolarHBondContact O-N 3.02Å; R251-G253 VanDerWaalsContact O-N 3.13Å; R251-Q254 PolarHBondContact N-O 3.33Å; R251-Q254 WeakPolarHBondContact O-CB 3.42Å; R251-Q254 PolarHBondContact O-N 3.02Å; R251-D277 IonicContact CZ-OD2 2.72Å; R251-D277 VanDerWaalsContact CZ-OD2 3.25Å; R251-D277 IonicContact NH1-OD2 3.62Å; R251-D277 PolarHBondContact NH1-OD2 2.67Å; R251-D277 PolarHBondContact NH2-O 3.26Å; R251-D277 IonicContact NH2-OD2 3.34Å; R251-D277 PolarHBondContact NH2-OD2 3.04Å; R251-H279 PolarHBondContact NH2-ND1 3.17Å; R251-D282 VanDerWaalsContact CB-OD1 3.29Å; R251-D282 WeakPolarHBondContact CB-OD1 3.46Å; R251-D282 VanDerWaalsContact CG-OD1 3.28Å; R251-D282 WeakPolarHBondContact CG-OD1 3.37Å; R251-D282 IonicContact CZ-OD1 2.73Å; R251-D282 IonicContact CZ-OD2 3.62Å; R251-D282 IonicContact NE-OD1 3.78Å; R251-D282 PolarHBondContact NE-OD1 2.85Å; R251-D282 IonicContact NE-OD2 2.62Å; R251-D282 IonicContact NH2-OD1 2.57Å; R251-D282 PolarHBondContact NH2-OD1 3.16Å; R251-D282 IonicContact NH2-OD2 3.99Å; R251-D282 PolarHBondContact NH2-OD2 2.81Å
252	N	91.4	Very high	95.5	Very high	168 Å²	168	36.8 Å²	36.8	90%	0.898	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	33	-177.1	-56.5	-31.4	0	0	0	114	Q254	N252-Q254 VanDerWaalsContact C-N 3.26Å; N252-Q254 PolarHBondContact O-N 2.57Å
253	G	89.4	Confident	95.3	Very high	57 Å²	57	36.8 Å²	36.8	59%	0.588	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-6.7	-174.7	0	0	0	0	0	115.6	R251	R251-G253 PolarHBondContact O-N 3.02Å; R251-G253 VanDerWaalsContact O-N 3.13Å
254	Q	95.7	Very high	94.9	Very high	142 Å²	142	35.1 Å²	35.1	66%	0.664	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.8	174.2	-175.1	-179.5	1.6	0	0	110.7	V250 R251 N252	V250-Q254 WeakPolarHBondContact CA-O 3.33Å; R251-Q254 PolarHBondContact N-O 3.33Å; R251-Q254 WeakPolarHBondContact O-CB 3.42Å; R251-Q254 PolarHBondContact O-N 3.02Å; N252-Q254 VanDerWaalsContact C-N 3.26Å; N252-Q254 PolarHBondContact O-N 2.57Å
255	W	96.3	Very high	94.4	Very high	36 Å²	36	36.5 Å²	36.5	14%	0.136	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.8	173.1	-60.8	76.5	0	0	0	110.9	Y248 R249 V250 A285 M337 F338 N340 I341 P342	Y248-W255 HydrophobicContact CD1-CB 4.33Å; Y248-W255 HydrophobicContact CD1-CE3 4.16Å; Y248-W255 AromaticContact CD2-CE3 3.91Å; Y248-W255 HydrophobicContact CD2-CE3 3.91Å; Y248-W255 HydrophobicContact CD2-CZ3 4.05Å; Y248-W255 AromaticContact CG-CE3 3.65Å; Y248-W255 HydrophobicContact CG-CE3 3.65Å; Y248-W255 HydrophobicContact CG-CZ3 4.21Å; R249-W255 CarbonylContact O-C 3.55Å; V250-W255 HydrophobicContact CG2-CD2 3.51Å; V250-W255 HydrophobicContact CG2-CE3 3.47Å; V250-W255 VanDerWaalsContact CG2-CE3 3.47Å; V250-W255 HydrophobicContact CG2-CG 4.03Å; V250-W255 HydrophobicContact CG2-CH2 4.3Å; V250-W255 HydrophobicContact CG2-CZ2 4.35Å; V250-W255 HydrophobicContact CG2-CZ3 3.87Å; W255-A285 HydrophobicContact CH2-CB 4.17Å; W255-A285 HydrophobicContact CZ3-CB 3.72Å; W255-M337 HydrophobicContact CH2-CE 3.89Å; W255-M337 HydrophobicContact CH2-CG 4.48Å; W255-M337 HydrophobicContact CZ2-CE 4.12Å; W255-M337 HydrophobicContact CZ2-CG 3.84Å; W255-M337 HydrophobicContact CZ2-SD 4.47Å; W255-F338 HydrophobicContact CH2-CD1 4.11Å; W255-F338 HydrophobicContact CH2-CE1 4.32Å; W255-F338 HydrophobicContact CH2-CG 4.42Å; W255-N340 PolarHBondContact NE1-O 3.21Å; W255-N340 VanDerWaalsContact NE1-O 3.07Å; W255-I341 HydrophobicContact CE3-CG1 4.07Å; W255-I341 HydrophobicContact CH2-CB 3.85Å; W255-I341 HydrophobicContact CH2-CD1 4.06Å; W255-I341 HydrophobicContact CH2-CG1 3.76Å; W255-I341 HydrophobicContact CZ2-CB 3.98Å; W255-I341 HydrophobicContact CZ2-CG1 4.28Å; W255-I341 HydrophobicContact CZ3-CB 4.25Å; W255-I341 HydrophobicContact CZ3-CD1 3.9Å; W255-I341 HydrophobicContact CZ3-CG1 3.65Å; W255-P342 HydrophobicContact CB-CG 3.83Å; W255-P342 HydrophobicContact CG-CG 4.11Å
256	T	96.8	Very high	93.7	Very high	33 Å²	33	37.6 Å²	37.6	20%	0.202	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.7	174.5	-49.2	0	0	0	0	108	Y248 R249 I258 V276	Y248-T256 CarbonylContact C-O 3.54Å; Y248-T256 VanDerWaalsContact CA-O 3.22Å; Y248-T256 WeakPolarHBondContact CA-O 3.24Å; R249-T256 PolarHBondContact N-O 3.31Å; R249-T256 PolarHBondContact NE-OG1 2.96Å; R249-T256 PolarHBondContact NH2-OG1 3.46Å; R249-T256 WeakPolarHBondContact O-CB 3.25Å; R249-T256 PolarHBondContact O-N 3.22Å; T256-I258 PolarHBondContact O-N 3.04Å; T256-V276 HydrophobicContact CG2-CG2 4.23Å
257	L	96.6	Very high	93	Very high	59 Å²	59	39.3 Å²	39.3	31%	0.309	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.8	-179.4	-176.8	66	0	0	0	111	Y248 R260	Y248-L257 HydrophobicContact CD1-CB 4.19Å; Y248-L257 HydrophobicContact CD1-CD1 4.05Å; Y248-L257 HydrophobicContact CE1-CB 4.04Å; Y248-L257 HydrophobicContact CE1-CD1 3.52Å; Y248-L257 HydrophobicContact CE1-CG 4.39Å; L257-R260 HydrophobicContact CD1-CB 3.94Å
258	I	96.6	Very high	92.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-42.2	169.9	-59.5	171.4	0	0	0	109.4	L231 G247 R249 T256 V272 V276 L284 F312 I314	L231-I258 HydrophobicContact CD1-CB 4.22Å; L231-I258 HydrophobicContact CD1-CD1 3.56Å; L231-I258 HydrophobicContact CD1-CG1 3.65Å; L231-I258 HydrophobicContact CD1-CG2 3.55Å; G247-I258 WeakPolarHBondContact O-CB 3.31Å; G247-I258 PolarHBondContact O-N 2.96Å; R249-I258 HydrophobicContact CB-CD1 4.33Å; T256-I258 PolarHBondContact O-N 3.04Å; I258-V272 HydrophobicContact CG2-CG2 4.29Å; I258-V272 WeakPolarHBondContact O-CG1 3.3Å; I258-V276 HydrophobicContact CG1-CG1 4.38Å; I258-L284 HydrophobicContact CD1-CD2 3.58Å; I258-F312 HydrophobicContact CB-CE1 4.45Å; I258-F312 HydrophobicContact CB-CZ 4.48Å; I258-F312 HydrophobicContact CG2-CE1 4.13Å; I258-F312 HydrophobicContact CG2-CZ 4.32Å; I258-I314 HydrophobicContact CD1-CD1 4.16Å; I258-I314 HydrophobicContact CG2-CG2 4.1Å
259	G	95.3	Very high	92.1	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-180	148.3	-179.5	0	0	0	0	0	111.7	S246 G247 F312	S246-G259 WeakPolarHBondContact CA-O 3.45Å; G247-G259 PolarHBondContact N-O 3.24Å; G247-G259 PolarHBondContact O-N 3.18Å; G259-F312 WeakPolarHBondContact O-CE2 3.25Å
260	R	95.8	Very high	91.8	Very high	64 Å²	64	40.2 Å²	40.2	24%	0.242	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	122.4	179.9	165.4	172.7	170.1	-86.2	0.2	108.6	Y234 V244 V245 S246 L257 E344 T347 I349	Y234-R260 PolarHBondContact OH-N 3.38Å; Y234-R260 PolarHBondContact OH-O 2.98Å; V244-R260 HydrophobicContact CG2-CG 3.95Å; V245-R260 WeakPolarHBondContact O-CA 3.44Å; S246-R260 WeakPolarHBondContact OG-CD 3.44Å; S246-R260 WeakPolarHBondContact OG-CG 3.32Å; L257-R260 HydrophobicContact CD1-CB 3.94Å; R260-E344 PolarHBondContact NE-O 2.85Å; R260-E344 PolarHBondContact NH2-O 3.48Å; R260-T347 PolarHBondContact NH2-O 3.47Å; R260-I349 HydrophobicContact CG-CD1 4.2Å
261	Q	93.9	Very high	91.5	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.2	-173.5	-173.1	56.8	-81.5	0	0	111.3	Y234 V236 V245 L265 Y270	Y234-Q261 HydrophobicContact CE2-CB 4.05Å; V236-Q261 HydrophobicContact CB-CB 4.5Å; V236-Q261 HydrophobicContact CG1-CB 3.86Å; V236-Q261 HydrophobicContact CG2-CB 3.75Å; V236-Q261 HydrophobicContact CG2-CG 3.81Å; V245-Q261 PolarHBondContact N-O 3.26Å; V245-Q261 PolarHBondContact O-N 3.32Å; Q261-L265 VanDerWaalsContact OE1-CD1 3.32Å; Q261-Y270 HydrophobicContact CG-CD2 4.27Å; Q261-Y270 HydrophobicContact CG-CE2 3.9Å; Q261-Y270 VanDerWaalsContact NE2-CE1 3.33Å; Q261-Y270 VanDerWaalsContact NE2-CZ 3.28Å
262	S	93.8	Very high	91.2	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.042	23%	0.227	C	C	.	.			trans	-79.8	124.5	168.7	-173.2	0	0	0	0	108.7	K243 Q264 L265	K243-S262 WeakPolarHBondContact O-CB 3.3Å; K243-S262 PolarHBondContact O-OG 3.1Å; S262-Q264 PolarHBondContact O-N 3Å; S262-Q264 VanDerWaalsContact O-N 3.15Å; S262-L265 WeakPolarHBondContact O-CB 3.5Å; S262-L265 PolarHBondContact O-N 3.15Å
263	P	89.6	Confident	90.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7.9	-178.3	31.9	-37	0	0	0	113.4	V236 T238 G242 V245 L265 Q267	V236-P263 HydrophobicContact CG2-CB 4.11Å; T238-P263 HydrophobicContact CG2-CB 3.75Å; T238-P263 HydrophobicContact CG2-CG 3.67Å; T238-P263 WeakPolarHBondContact OG1-CB 3.42Å; T238-P263 WeakPolarHBondContact OG1-CG 3.36Å; G242-P263 WeakPolarHBondContact O-CG 3.43Å; V245-P263 HydrophobicContact CG2-CB 4.3Å; V245-P263 HydrophobicContact CG2-CG 4.09Å; P263-L265 VanDerWaalsContact C-N 3.33Å; P263-Q267 WeakPolarHBondContact O-CG 3.32Å; P263-Q267 PolarHBondContact O-NE2 2.96Å
264	Q	85.3	Confident	90.4	Very high	41 Å²	41	44.5 Å²	44.5	19%	0.192	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-8.6	171	-49.7	-51.2	-38.3	0	0	113	H239 G242 S262 T359	H239-Q264 PolarHBondContact O-NE2 3.19Å; G242-Q264 PolarHBondContact O-NE2 3.19Å; S262-Q264 PolarHBondContact O-N 3Å; S262-Q264 VanDerWaalsContact O-N 3.15Å; Q264-T359 WeakPolarHBondContact O-CG2 3.47Å
265	L	86.3	Confident	89.5	Confident	28 Å²	28	43.8 Å²	43.8	15%	0.147	23%	0.229	C	C	.	.	S	Bend	trans	-85.2	163.5	169.4	-73.1	172.5	0	0	0	110.8	Q261 S262 P263 Q267 V351	Q261-L265 VanDerWaalsContact OE1-CD1 3.32Å; S262-L265 WeakPolarHBondContact O-CB 3.5Å; S262-L265 PolarHBondContact O-N 3.15Å; P263-L265 VanDerWaalsContact C-N 3.33Å; L265-Q267 PolarHBondContact O-N 3.01Å; L265-V351 HydrophobicContact CD1-CG2 4.09Å; L265-V351 HydrophobicContact CD2-CG1 3.97Å; L265-V351 HydrophobicContact CD2-CG2 4.14Å; L265-V351 HydrophobicContact CG-CG2 4.01Å
266	P	83.7	Confident	89.3	Confident	23 Å²	23	42.3 Å²	42.3	15%	0.149	22%	0.224	C	C	.	.			trans	-52	109.4	-175.2	-30	37.2	0	0	0	113.6	A137 A140 A268 Y270	A137-P266 HydrophobicContact CB-CB 3.7Å; A140-P266 HydrophobicContact CB-CB 4.28Å; P266-A268 PolarHBondContact O-N 3.43Å; P266-Y270 WeakPolarHBondContact O-CE2 3.5Å; P266-Y270 PolarHBondContact O-OH 3.37Å
267	Q	83.7	Confident	89.1	Confident	37 Å²	37	42.8 Å²	42.8	17%	0.173	23%	0.225	C	C	.	.			trans	-75	56.5	-170.5	-60.8	-179.1	-1.8	0	0	114	R235 H237 T238 P263 L265	R235-Q267 WeakPolarHBondContact CD-O 3.29Å; R235-Q267 PolarHBondContact NE-O 3.26Å; R235-Q267 VanDerWaalsContact NH2-OE1 3.11Å; H237-Q267 PolarHBondContact ND1-OE1 2.94Å; T238-Q267 PolarHBondContact O-NE2 3.24Å; T238-Q267 VanDerWaalsContact O-NE2 3.12Å; P263-Q267 WeakPolarHBondContact O-CG 3.32Å; P263-Q267 PolarHBondContact O-NE2 2.96Å; L265-Q267 PolarHBondContact O-N 3.01Å
268	A	87.1	Confident	89.1	Confident	2 Å²	2	40 Å²	40	2%	0.017	21%	0.21	C	C	.	.	S	Bend	trans	-88.6	-179.9	169.6	0	0	0	0	0	111.7	A137 A140 R235 P266 Y270	A137-A268 HydrophobicContact CB-CB 4.06Å; A140-A268 HydrophobicContact CB-CB 3.51Å; R235-A268 WeakPolarHBondContact CB-O 3.21Å; P266-A268 PolarHBondContact O-N 3.43Å; A268-Y270 WeakPolarHBondContact O-CD2 3.33Å
269	F	88.6	Confident	88.9	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.009	23%	0.226	C	C	.	.			trans	-86	106.7	169.8	-79.2	-84.1	0	0	0	111.3	I132 A135 T143 M199 A233 Y234 R235 M315	I132-F269 HydrophobicContact CD1-CE2 3.89Å; I132-F269 HydrophobicContact CD1-CZ 4.25Å; I132-F269 HydrophobicContact CG1-CE2 4.2Å; I132-F269 HydrophobicContact CG2-CZ 4.23Å; A135-F269 HydrophobicContact CB-CD2 3.58Å; A135-F269 HydrophobicContact CB-CE2 3.82Å; T143-F269 HydrophobicContact CG2-CB 3.83Å; T143-F269 WeakPolarHBondContact OG1-CB 3.37Å; T143-F269 PolarHBondContact OG1-O 2.71Å; M199-F269 HydrophobicContact CE-CE1 3.76Å; M199-F269 HydrophobicContact CE-CE2 4.4Å; M199-F269 HydrophobicContact CE-CZ 3.5Å; M199-F269 HydrophobicContact SD-CE1 3.83Å; M199-F269 HydrophobicContact SD-CZ 3.87Å; A233-F269 HydrophobicContact CB-CB 4.18Å; A233-F269 HydrophobicContact CB-CD1 4.48Å; Y234-F269 CarbonylContact O-C 3.45Å; Y234-F269 WeakPolarHBondContact O-CA 3.48Å; R235-F269 HydrophobicContact CB-CD1 3.52Å; R235-F269 HydrophobicContact CB-CD2 4.14Å; R235-F269 HydrophobicContact CB-CE1 3.52Å; R235-F269 HydrophobicContact CB-CE2 4.14Å; R235-F269 HydrophobicContact CB-CG 3.83Å; R235-F269 HydrophobicContact CB-CZ 3.83Å; F269-M315 HydrophobicContact CB-CE 4.32Å; F269-M315 HydrophobicContact CD1-CE 3.97Å; F269-M315 HydrophobicContact CD1-CG 3.87Å; F269-M315 HydrophobicContact CD1-SD 4.28Å; F269-M315 HydrophobicContact CD2-CE 3.6Å; F269-M315 HydrophobicContact CE1-CE 4.15Å; F269-M315 HydrophobicContact CE1-CG 3.86Å; F269-M315 HydrophobicContact CE2-CE 3.8Å; F269-M315 HydrophobicContact CG-CE 3.71Å; F269-M315 HydrophobicContact CG-SD 4.36Å; F269-M315 HydrophobicContact CZ-CE 4.07Å; F269-M315 HydrophobicContact CZ-CG 4.48Å
270	Y	89.8	Confident	88.8	Confident	41 Å²	41	48.9 Å²	48.9	16%	0.161	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.1	173.4	-67.7	-92.3	0	0	0	110.2	A233 Y234 Q261 P266 A268	A233-Y270 CarbonylContact C-O 3.57Å; A233-Y270 WeakPolarHBondContact CA-O 3.45Å; A233-Y270 WeakPolarHBondContact CB-O 3.46Å; Y234-Y270 WeakPolarHBondContact CD1-O 3.41Å; Y234-Y270 PolarHBondContact N-O 3.21Å; Y234-Y270 PolarHBondContact O-N 2.99Å; Q261-Y270 HydrophobicContact CG-CD2 4.27Å; Q261-Y270 HydrophobicContact CG-CE2 3.9Å; Q261-Y270 VanDerWaalsContact NE2-CE1 3.33Å; Q261-Y270 VanDerWaalsContact NE2-CZ 3.28Å; P266-Y270 WeakPolarHBondContact O-CE2 3.5Å; P266-Y270 PolarHBondContact O-OH 3.37Å; A268-Y270 WeakPolarHBondContact O-CD2 3.33Å
271	S	89.9	Confident	88.4	Confident	82 Å²	82	50 Å²	50	57%	0.573	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.5	173.2	-56.8	0	0	0	0	111.2	F232	F232-S271 WeakPolarHBondContact O-CA 3.39Å
272	V	90.2	Very high	88.5	Confident	19 Å²	19	49.2 Å²	49.2	12%	0.115	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.4	167.6	179.8	0	0	0	0	108.1	L231 F232 Y234 I258 H274 V276	L231-V272 HydrophobicContact CB-CG2 4.23Å; F232-V272 PolarHBondContact O-N 3.23Å; Y234-V272 HydrophobicContact CD1-CG2 4.13Å; I258-V272 HydrophobicContact CG2-CG2 4.29Å; I258-V272 WeakPolarHBondContact O-CG1 3.3Å; V272-H274 VanDerWaalsContact C-N 3.35Å; V272-H274 WeakPolarHBondContact CG1-O 3.4Å; V272-H274 PolarHBondContact O-N 2.9Å; V272-V276 HydrophobicContact CG1-CG2 4.16Å
273	E	83.1	Confident	88.6	Confident	156 Å²	156	49.8 Å²	49.8	73%	0.729	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	-36.6	-173.3	-62.8	-179.8	168.4	0	0	113.5
274	H	80.5	Confident	89	Confident	133 Å²	133	49.8 Å²	49.8	62%	0.616	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.7	-175.7	-62.5	89.2	0	0	0	109	V272 V276	V272-H274 VanDerWaalsContact C-N 3.35Å; V272-H274 WeakPolarHBondContact CG1-O 3.4Å; V272-H274 PolarHBondContact O-N 2.9Å; H274-V276 PolarHBondContact O-N 2.99Å
275	P	77.4	Confident	89.6	Confident	128 Å²	128	47.8 Å²	47.8	83%	0.831	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	111.5	-179.3	-25.6	34.9	0	0	0	112.3
276	V	90.7	Very high	90.1	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.8	175.6	179.7	0	0	0	0	109.4	L231 R249 T256 I258 V272 H274 V278	L231-V276 HydrophobicContact CB-CB 4.28Å; L231-V276 HydrophobicContact CD1-CB 3.99Å; L231-V276 HydrophobicContact CD1-CG1 3.83Å; L231-V276 HydrophobicContact CG-CB 4.2Å; L231-V276 HydrophobicContact CG-CG1 4.32Å; L231-V276 PolarHBondContact N-O 3.07Å; R249-V276 HydrophobicContact CB-CG1 4.17Å; T256-V276 HydrophobicContact CG2-CG2 4.23Å; I258-V276 HydrophobicContact CG1-CG1 4.38Å; V272-V276 HydrophobicContact CG1-CG2 4.16Å; H274-V276 PolarHBondContact O-N 2.99Å; V276-V278 HydrophobicContact CG1-CG2 4.39Å
277	D	92.9	Very high	90.8	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.3	165.3	65.2	-69.3	0	0	0	110.4	R249 R251 H279	R249-D277 WeakPolarHBondContact CD-O 3.43Å; R249-D277 IonicContact CZ-OD1 3.32Å; R249-D277 PolarHBondContact NH1-O 3.4Å; R249-D277 IonicContact NH1-OD1 2.73Å; R249-D277 PolarHBondContact NH1-OD1 3.3Å; R249-D277 IonicContact NH1-OD2 3.16Å; R249-D277 PolarHBondContact NH1-OD2 3.37Å; R251-D277 IonicContact CZ-OD2 2.72Å; R251-D277 VanDerWaalsContact CZ-OD2 3.25Å; R251-D277 IonicContact NH1-OD2 3.62Å; R251-D277 PolarHBondContact NH1-OD2 2.67Å; R251-D277 PolarHBondContact NH2-O 3.26Å; R251-D277 IonicContact NH2-OD2 3.34Å; R251-D277 PolarHBondContact NH2-OD2 3.04Å; D277-H279 IonicContact OD2-CE1 3.08Å; D277-H279 PolarHBondContact OD2-CE1 2.77Å; D277-H279 VanDerWaalsContact OD2-CE1 3.23Å; D277-H279 IonicContact OD2-ND1 2.73Å; D277-H279 PolarHBondContact OD2-ND1 3.33Å
278	V	96.3	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.5	169	-167.4	0	0	0	0	107.9	Y224 P228 M229 L231 V276 D282 L284	Y224-V278 HydrophobicContact CD1-CB 4.46Å; Y224-V278 HydrophobicContact CD1-CG1 3.76Å; Y224-V278 HydrophobicContact CD2-CG1 4Å; Y224-V278 HydrophobicContact CE1-CG1 4.41Å; Y224-V278 HydrophobicContact CG-CB 4.49Å; Y224-V278 HydrophobicContact CG-CG1 3.5Å; P228-V278 VanDerWaalsContact CA-O 3.26Å; P228-V278 WeakPolarHBondContact CA-O 3.36Å; M229-V278 HydrophobicContact CE-CB 3.95Å; M229-V278 HydrophobicContact CE-CG1 4.15Å; M229-V278 HydrophobicContact CE-CG2 3.95Å; M229-V278 HydrophobicContact CG-CB 3.92Å; M229-V278 HydrophobicContact CG-CG2 4.33Å; M229-V278 PolarHBondContact N-O 3.34Å; M229-V278 PolarHBondContact O-N 2.94Å; L231-V278 HydrophobicContact CD1-CG2 3.76Å; L231-V278 HydrophobicContact CD2-CG2 3.88Å; L231-V278 HydrophobicContact CG-CG2 3.87Å; V276-V278 HydrophobicContact CG1-CG2 4.39Å; V278-D282 WeakPolarHBondContact CA-OD2 3.16Å; V278-D282 HydrophobicContact CG1-CB 3.92Å; V278-L284 HydrophobicContact CG1-CD1 4.43Å; V278-L284 HydrophobicContact CG1-CD2 4.19Å; V278-L284 HydrophobicContact CG1-CG 4.24Å; V278-L284 HydrophobicContact CG2-CD2 4.08Å
279	H	94.1	Very high	92	Very high	75 Å²	75	44.8 Å²	44.8	35%	0.347	23%	0.232	S	C	.	.			trans	-113.9	165.7	-176.8	-79.8	81.4	0	0	0	110.3	Y224 R251 D277 D282	Y224-H279 WeakPolarHBondContact CD1-O 3.35Å; R251-H279 PolarHBondContact NH2-ND1 3.17Å; D277-H279 IonicContact OD2-CE1 3.08Å; D277-H279 PolarHBondContact OD2-CE1 2.77Å; D277-H279 VanDerWaalsContact OD2-CE1 3.23Å; D277-H279 IonicContact OD2-ND1 2.73Å; D277-H279 PolarHBondContact OD2-ND1 3.33Å; H279-D282 PolarHBondContact N-OD2 3.48Å; H279-D282 WeakPolarHBondContact O-CB 3.28Å; H279-D282 PolarHBondContact O-N 2.9Å
280	F	91.3	Very high	92.3	Very high	119 Å²	119	44.7 Å²	44.7	52%	0.522	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.1	174.2	-165.1	-83.6	0	0	0	111.5	K225 D282	K225-F280 HydrophobicContact CB-CE2 4.29Å; K225-F280 HydrophobicContact CD-CD1 4.4Å; K225-F280 HydrophobicContact CD-CD2 4.31Å; K225-F280 HydrophobicContact CD-CE1 3.86Å; K225-F280 HydrophobicContact CD-CE2 3.75Å; K225-F280 HydrophobicContact CD-CZ 3.5Å; K225-F280 VanDerWaalsContact CD-CZ 3.5Å; F280-D282 VanDerWaalsContact C-N 3.26Å; F280-D282 PolarHBondContact O-N 3.2Å
281	D	88.4	Confident	92.6	Very high	89 Å²	89	43 Å²	43	48%	0.476	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-5.5	-174.2	-79.9	-49.5	0	0	0	117.9	Y224 K225	Y224-D281 PolarHBondContact O-N 2.76Å; K225-D281 WeakPolarHBondContact CE-OD1 3.45Å; K225-D281 IonicContact NZ-OD1 3.76Å; K225-D281 PolarHBondContact NZ-OD1 3.37Å
282	D	95.3	Very high	92.7	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-56.7	148.2	165.3	-74.6	-25	0	0	0	111	H223 Y224 R249 R251 V278 H279 F280	H223-D282 CarbonylContact C-O 3.54Å; H223-D282 WeakPolarHBondContact CA-O 3.3Å; Y224-D282 PolarHBondContact N-O 2.95Å; R249-D282 WeakPolarHBondContact CD-OD2 3.49Å; R249-D282 HydrophobicContact CG-CB 4.07Å; R251-D282 VanDerWaalsContact CB-OD1 3.29Å; R251-D282 WeakPolarHBondContact CB-OD1 3.46Å; R251-D282 VanDerWaalsContact CG-OD1 3.28Å; R251-D282 WeakPolarHBondContact CG-OD1 3.37Å; R251-D282 IonicContact CZ-OD1 2.73Å; R251-D282 IonicContact CZ-OD2 3.62Å; R251-D282 IonicContact NE-OD1 3.78Å; R251-D282 PolarHBondContact NE-OD1 2.85Å; R251-D282 IonicContact NE-OD2 2.62Å; R251-D282 IonicContact NH2-OD1 2.57Å; R251-D282 PolarHBondContact NH2-OD1 3.16Å; R251-D282 IonicContact NH2-OD2 3.99Å; R251-D282 PolarHBondContact NH2-OD2 2.81Å; V278-D282 WeakPolarHBondContact CA-OD2 3.16Å; V278-D282 HydrophobicContact CG1-CB 3.92Å; H279-D282 PolarHBondContact N-OD2 3.48Å; H279-D282 WeakPolarHBondContact O-CB 3.28Å; H279-D282 PolarHBondContact O-N 2.9Å; F280-D282 VanDerWaalsContact C-N 3.26Å; F280-D282 PolarHBondContact O-N 3.2Å
283	I	96.4	Very high	92.7	Very high	19 Å²	19	43 Å²	43	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.1	167.8	-59.2	169.2	0	0	0	108.3	A221 C222 H223 R249 V250 A285 M337	A221-I283 HydrophobicContact CB-CG2 4.04Å; C222-I283 WeakPolarHBondContact O-CA 3.33Å; H223-I283 VanDerWaalsContact CE1-CG1 3.5Å; H223-I283 WeakPolarHBondContact CE1-CG1 3.46Å; R249-I283 CarbonylContact C-O 3.57Å; R249-I283 WeakPolarHBondContact CA-O 3.25Å; V250-I283 HydrophobicContact CB-CB 4.33Å; V250-I283 PolarHBondContact N-O 3.28Å; V250-I283 PolarHBondContact O-N 2.95Å; I283-A285 HydrophobicContact CG2-CB 4.49Å; I283-M337 HydrophobicContact CD1-SD 3.85Å; I283-M337 HydrophobicContact CG2-CE 3.84Å; I283-M337 HydrophobicContact CG2-SD 4.47Å
284	L	97.8	Very high	92.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125	162.8	-71.7	169.7	0	0	0	107.6	Y200 M202 A221 C222 Y224 M229 I258 V278 I314	Y200-L284 HydrophobicContact CD1-CD1 4.03Å; Y200-L284 HydrophobicContact CD2-CD1 3.98Å; Y200-L284 HydrophobicContact CE1-CD1 3.75Å; Y200-L284 HydrophobicContact CE2-CD1 3.71Å; Y200-L284 HydrophobicContact CG-CD1 4.15Å; M202-L284 HydrophobicContact CE-CB 4.18Å; M202-L284 VanDerWaalsContact CE-O 3.31Å; M202-L284 WeakPolarHBondContact CE-O 3.35Å; M202-L284 HydrophobicContact SD-CB 3.96Å; A221-L284 VanDerWaalsContact CA-O 3.25Å; A221-L284 WeakPolarHBondContact CA-O 3.13Å; C222-L284 PolarHBondContact N-O 2.89Å; C222-L284 PolarHBondContact O-N 2.86Å; Y224-L284 HydrophobicContact CD2-CD1 4.07Å; M229-L284 HydrophobicContact CE-CD1 3.66Å; I258-L284 HydrophobicContact CD1-CD2 3.58Å; V278-L284 HydrophobicContact CG1-CD1 4.43Å; V278-L284 HydrophobicContact CG1-CD2 4.19Å; V278-L284 HydrophobicContact CG1-CG 4.24Å; V278-L284 HydrophobicContact CG2-CD2 4.08Å; L284-I314 HydrophobicContact CD2-CD1 4.48Å
285	A	97.8	Very high	93.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131	-176.7	0	0	0	0	0	110.5	I220 A221 G247 Y248 V250 W255 I283 M337 F338	I220-A285 CarbonylContact O-C 3.59Å; I220-A285 VanDerWaalsContact O-CA 3.32Å; I220-A285 WeakPolarHBondContact O-CA 3.47Å; A221-A285 HydrophobicContact CB-CB 4.34Å; G247-A285 CarbonylContact C-O 3.55Å; G247-A285 WeakPolarHBondContact CA-O 3.38Å; Y248-A285 PolarHBondContact N-O 3.04Å; Y248-A285 PolarHBondContact O-N 2.97Å; V250-A285 HydrophobicContact CG2-CB 4.21Å; W255-A285 HydrophobicContact CH2-CB 4.17Å; W255-A285 HydrophobicContact CZ3-CB 3.72Å; I283-A285 HydrophobicContact CG2-CB 4.49Å; A285-M337 HydrophobicContact CB-CE 3.73Å; A285-F338 HydrophobicContact CB-CE1 4.36Å; A285-F338 HydrophobicContact CB-CZ 3.97Å
286	A	97.9	Very high	93.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.5	176.8	0	0	0	0	0	111.1	M202 I220 S246 F312	M202-A286 HydrophobicContact CB-CB 4.32Å; M202-A286 HydrophobicContact CE-CB 3.81Å; M202-A286 HydrophobicContact SD-CB 3.8Å; I220-A286 PolarHBondContact N-O 2.86Å; I220-A286 PolarHBondContact O-N 2.88Å; S246-A286 CarbonylContact O-C 3.41Å; S246-A286 VanDerWaalsContact O-CA 3.23Å; S246-A286 WeakPolarHBondContact O-CA 3.5Å; A286-F312 HydrophobicContact CB-CB 4.21Å; A286-F312 HydrophobicContact CB-CG 4.42Å
287	R	97.9	Very high	93.7	Very high	20 Å²	20	40.3 Å²	40.3	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.2	175.9	173.9	173.5	-76	-138.1	-23.2	109.3	D217 A218 D219 V245 S246 V289 I341 N346	D217-R287 IonicContact OD1-CZ 2.62Å; D217-R287 IonicContact OD1-NE 2.82Å; D217-R287 IonicContact OD1-NH1 2.7Å; D217-R287 PolarHBondContact OD1-NH1 2.73Å; D217-R287 IonicContact OD2-CZ 2.87Å; D217-R287 IonicContact OD2-NH1 3.23Å; D217-R287 PolarHBondContact OD2-NH1 3.28Å; D217-R287 IonicContact OD2-NH2 2.77Å; D217-R287 PolarHBondContact OD2-NH2 3.4Å; A218-R287 WeakPolarHBondContact O-CA 3.28Å; D219-R287 VanDerWaalsContact CG-NH2 3.33Å; D219-R287 WeakPolarHBondContact OD1-CB 3.44Å; D219-R287 WeakPolarHBondContact OD1-CG 3.4Å; D219-R287 IonicContact OD1-CZ 3.34Å; D219-R287 IonicContact OD1-NE 3.68Å; D219-R287 PolarHBondContact OD1-NE 2.83Å; D219-R287 IonicContact OD1-NH2 2.8Å; D219-R287 PolarHBondContact OD1-NH2 2.8Å; D219-R287 VanDerWaalsContact OD1-NH2 3.16Å; D219-R287 IonicContact OD2-CZ 3.34Å; D219-R287 IonicContact OD2-NE 2.72Å; D219-R287 IonicContact OD2-NH2 3.15Å; D219-R287 PolarHBondContact OD2-NH2 3.12Å; V245-R287 WeakPolarHBondContact CA-O 3.07Å; S246-R287 PolarHBondContact N-O 3.01Å; S246-R287 PolarHBondContact O-N 3.49Å; R287-V289 HydrophobicContact CG-CG2 4.09Å; R287-I341 HydrophobicContact CB-CD1 3.99Å; R287-N346 WeakPolarHBondContact CD-OD1 3.42Å; R287-N346 PolarHBondContact NH1-OD1 3.19Å
288	C	97.9	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137	159.6	-53	0	0	0	0	109.4	A218 V245 F290 C310	A218-C288 HydrophobicContact CB-CB 4.23Å; A218-C288 PolarHBondContact N-O 2.92Å; A218-C288 PolarHBondContact O-N 2.77Å; V245-C288 HydrophobicContact CG1-CB 4.45Å; V245-C288 VanDerWaalsContact CG1-SG 3.52Å; V245-C288 HydrophobicContact CG2-CB 4Å; C288-F290 HydrophobicContact CB-CD2 4.24Å; C288-F290 HydrophobicContact CB-CE2 3.51Å; C288-F290 HydrophobicContact CB-CZ 3.74Å; C288-C310 HydrophobicContact CB-CB 3.77Å; C288-C310 WeakPolarHBondContact CB-SG 3.27Å; C288-C310 WeakPolarHBondContact SG-CA 3.19Å; C288-C310 WeakPolarHBondContact SG-CB 3.24Å; C288-C310 CovalentContact SG-SG 2.02Å; C288-C310 PolarHBondContact SG-SG 2.81Å
289	V	97.4	Very high	93.5	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.8	175.2	-173.6	0	0	0	0	108.8	V215 K243 V244 R287	V215-V289 HydrophobicContact CG1-CG1 3.84Å; K243-V289 PolarHBondContact N-O 3.48Å; V244-V289 HydrophobicContact CG1-CB 3.85Å; V244-V289 HydrophobicContact CG1-CG2 3.74Å; V244-V289 PolarHBondContact O-N 3.36Å; R287-V289 HydrophobicContact CG-CG2 4.09Å
290	F	96.4	Very high	93.3	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	169.5	179.6	-63.1	-79.2	0	0	0	112	I209 V215 V216 A218 T238 L241 C288 E308 M309 C310	I209-F290 HydrophobicContact CD1-CB 3.71Å; I209-F290 HydrophobicContact CD1-CD1 3.76Å; I209-F290 HydrophobicContact CD1-CD2 4.02Å; I209-F290 HydrophobicContact CD1-CE1 4.4Å; I209-F290 HydrophobicContact CD1-CG 3.56Å; I209-F290 HydrophobicContact CG1-CB 4.08Å; I209-F290 HydrophobicContact CG1-CD2 4.43Å; I209-F290 HydrophobicContact CG1-CG 4.24Å; V215-F290 WeakPolarHBondContact CA-O 3.31Å; V216-F290 HydrophobicContact CB-CB 4.3Å; V216-F290 PolarHBondContact N-O 2.87Å; V216-F290 PolarHBondContact O-N 3.29Å; A218-F290 HydrophobicContact CB-CD2 4.23Å; A218-F290 HydrophobicContact CB-CE2 3.7Å; T238-F290 HydrophobicContact CG2-CE1 3.92Å; T238-F290 HydrophobicContact CG2-CZ 4.14Å; L241-F290 HydrophobicContact CB-CD1 4.1Å; C288-F290 HydrophobicContact CB-CD2 4.24Å; C288-F290 HydrophobicContact CB-CE2 3.51Å; C288-F290 HydrophobicContact CB-CZ 3.74Å; F290-E308 HydrophobicContact CD1-CG 4.03Å; F290-E308 HydrophobicContact CE1-CB 4.21Å; F290-E308 VanDerWaalsContact CE1-CD 3.42Å; F290-E308 HydrophobicContact CE1-CG 3.85Å; F290-E308 WeakPolarHBondContact CE1-OE2 3.43Å; F290-M309 WeakPolarHBondContact CZ-O 3.37Å; F290-C310 HydrophobicContact CE2-CB 3.98Å; F290-C310 HydrophobicContact CZ-CB 3.81Å
291	S	94.4	Very high	93.2	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.028	23%	0.231	C	C	.	.			trans	-141.6	130.2	167.3	-169.8	0	0	0	0	109.5	E213 K214 L241 E293	E213-S291 PolarHBondContact O-OG 3.04Å; K214-S291 WeakPolarHBondContact O-CB 3.46Å; K214-S291 PolarHBondContact O-OG 3.35Å; L241-S291 WeakPolarHBondContact CB-O 3.48Å; L241-S291 PolarHBondContact O-N 3.11Å; S291-E293 VanDerWaalsContact C-N 3.3Å
292	G	92	Very high	92.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.			trans	-83.6	0.6	173.6	0	0	0	0	0	114	G212 E213 G294 R295	G212-G292 PolarHBondContact N-O 2.94Å; E213-G292 WeakPolarHBondContact O-CA 3.41Å; E213-G292 PolarHBondContact O-N 2.87Å; G292-G294 PolarHBondContact O-N 2.89Å; G292-R295 PolarHBondContact O-N 2.97Å
293	E	91.4	Very high	90.6	Very high	103 Å²	103	40.6 Å²	40.6	48%	0.481	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	122.8	174.1	-69.4	-169.7	145.5	0	0	111	K214 S291	K214-E293 HydrophobicContact CG-CG 4.48Å; K214-E293 IonicContact NZ-OE1 2.75Å; K214-E293 PolarHBondContact NZ-OE1 3.37Å; S291-E293 VanDerWaalsContact C-N 3.3Å
294	G	87.1	Confident	89.2	Confident	82 Å²	82	43.1 Å²	43.1	85%	0.845	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-3.8	-176.4	0	0	0	0	0	115.5	G292	G292-G294 PolarHBondContact O-N 2.89Å
295	R	86.5	Confident	87.7	Confident	53 Å²	53	46.2 Å²	46.2	20%	0.2	29%	0.292	C	S	.	.			trans	-93	143.8	167.1	-64.7	-61.4	-173.2	96.2	-12.6	111	P211 L241 G292 T299 N306	P211-R295 WeakPolarHBondContact CB-O 3.47Å; L241-R295 HydrophobicContact CD1-CG 3.94Å; L241-R295 HydrophobicContact CD2-CG 4Å; G292-R295 PolarHBondContact O-N 2.97Å; R295-T299 PolarHBondContact NH1-OG1 2.78Å; R295-N306 PolarHBondContact NH1-O 2.85Å; R295-N306 PolarHBondContact NH2-O 3.45Å; R295-N306 VanDerWaalsContact NH2-O 3.07Å
296	T	88.8	Confident	86.6	Confident	136 Å²	136	52.1 Å²	52.1	83%	0.834	32%	0.323	S	S	*	.	S	Bend	trans	-100.7	-18.8	177.1	48.3	0	0	0	0	113.4
297	T	90.6	Very high	85.8	Confident	93 Å²	93	54.2 Å²	54.2	57%	0.571	33%	0.334	S	S	*	.	S	Bend	trans	-121.7	165.8	176.3	61.1	0	0	0	0	110.4
298	E	93	Very high	85.4	Confident	108 Å²	108	53.2 Å²	53.2	51%	0.505	33%	0.331	S	S	.	.			trans	-57.4	151.3	166	-61.5	-169.8	162.6	0	0	110.9	V208 H300	V208-E298 HydrophobicContact CG1-CB 4.07Å; V208-E298 HydrophobicContact CG1-CG 4.39Å; E298-H300 IonicContact OE2-CE1 3.35Å
299	T	90.2	Very high	85	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.025	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.6	176.8	-54.3	0	0	0	0	108.8	I209 L241 R295 E308	I209-T299 PolarHBondContact N-O 2.82Å; I209-T299 PolarHBondContact O-N 2.88Å; L241-T299 HydrophobicContact CD1-CG2 3.98Å; R295-T299 PolarHBondContact NH1-OG1 2.78Å; T299-E308 HydrophobicContact CG2-CB 4.21Å; T299-E308 HydrophobicContact CG2-CG 4.25Å
300	H	91.8	Very high	84.9	Confident	94 Å²	94	55.2 Å²	55.2	44%	0.435	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	171.1	-178.1	-52.9	-79.9	0	0	0	110.8	E298 E308	E298-H300 IonicContact OE2-CE1 3.35Å; H300-E308 PolarHBondContact O-N 2.9Å
301	I	88.6	Confident	84.8	Confident	43 Å²	43	55.4 Å²	55.4	22%	0.221	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-69.4	131.4	166.7	-59.8	-60.6	0	0	0	109.7	T207 E308	T207-I301 PolarHBondContact O-N 3.39Å; I301-E308 CarbonylContact C-O 3.54Å; I301-E308 VanDerWaalsContact CA-O 3.25Å; I301-E308 WeakPolarHBondContact CA-O 3.46Å
302	G	69.8	Low	84.9	Confident	22 Å²	22	55.3 Å²	55.3	23%	0.227	34%	0.34	C	S	.	.			trans	-173.5	-178.9	-176.8	0	0	0	0	0	114.1	D307 E308 M309	G302-D307 VanDerWaalsContact CA-CB 3.46Å; G302-E308 PolarHBondContact N-O 3.48Å; G302-M309 VanDerWaalsContact O-CE 3.29Å; G302-M309 WeakPolarHBondContact O-CE 3.36Å; G302-M309 WeakPolarHBondContact O-CG 3.47Å
303	G	59.1	Low	85.1	Confident	64 Å²	64	56.7 Å²	56.7	66%	0.66	35%	0.346	S	S	*	.	S	Bend	trans	-90.5	-17.6	-170.9	0	0	0	0	0	115.7	D307	G303-D307 PolarHBondContact N-OD2 2.84Å
304	T	67.8	Low	85.3	Confident	73 Å²	73	51.8 Å²	51.8	45%	0.448	32%	0.323	S	S	.	.	S	Bend	trans	-95	160.9	-171.7	76.3	0	0	0	0	112.2	H239 N306 D307	H239-T304 PolarHBondContact CE1-O 3.4Å; H239-T304 PolarHBondContact ND1-O 2.58Å; T304-N306 PolarHBondContact O-N 2.89Å; T304-N306 PolarHBondContact OG1-N 2.94Å; T304-D307 WeakPolarHBondContact CA-OD2 3.36Å; T304-D307 VanDerWaalsContact CB-OD2 3.31Å; T304-D307 WeakPolarHBondContact CB-OD2 3.4Å; T304-D307 WeakPolarHBondContact CG2-OD2 3.37Å; T304-D307 PolarHBondContact N-OD2 2.74Å; T304-D307 WeakPolarHBondContact O-CB 3.35Å; T304-D307 PolarHBondContact O-N 3.14Å; T304-D307 PolarHBondContact OG1-N 3.37Å; T304-D307 PolarHBondContact OG1-OD2 2.62Å
305	A	65.8	Low	85.6	Confident	64 Å²	64	48 Å²	48	53%	0.529	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.6	174.2	0	0	0	0	0	114.7
306	N	74.3	Confident	86	Confident	124 Å²	124	45.5 Å²	45.5	66%	0.663	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-30	171.8	-68.5	-31.9	0	0	0	112	R295 T304	R295-N306 PolarHBondContact NH1-O 2.85Å; R295-N306 PolarHBondContact NH2-O 3.45Å; R295-N306 VanDerWaalsContact NH2-O 3.07Å; T304-N306 PolarHBondContact O-N 2.89Å; T304-N306 PolarHBondContact OG1-N 2.94Å
307	D	81.9	Confident	86.3	Confident	44 Å²	44	41.8 Å²	41.8	24%	0.235	25%	0.245	C	C	.	.	S	Bend	trans	-75.7	-174.6	173.4	-49.7	-50.2	0	0	0	111	H239 G302 G303 T304	H239-D307 PolarHBondContact ND1-O 2.88Å; G302-D307 VanDerWaalsContact CA-CB 3.46Å; G303-D307 PolarHBondContact N-OD2 2.84Å; T304-D307 WeakPolarHBondContact CA-OD2 3.36Å; T304-D307 VanDerWaalsContact CB-OD2 3.31Å; T304-D307 WeakPolarHBondContact CB-OD2 3.4Å; T304-D307 WeakPolarHBondContact CG2-OD2 3.37Å; T304-D307 PolarHBondContact N-OD2 2.74Å; T304-D307 WeakPolarHBondContact O-CB 3.35Å; T304-D307 PolarHBondContact O-N 3.14Å; T304-D307 PolarHBondContact OG1-N 3.37Å; T304-D307 PolarHBondContact OG1-OD2 2.62Å
308	E	89.2	Confident	86.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-124.2	166.1	166	-100.1	-65.8	-179.4	0	0	112.7	I209 T238 H239 R240 L241 G242 F290 T299 H300 I301 G302	I209-E308 HydrophobicContact CD1-CB 3.97Å; I209-E308 HydrophobicContact CD1-CG 3.83Å; T238-E308 WeakPolarHBondContact CB-OE2 3.4Å; H239-E308 WeakPolarHBondContact CA-OE1 3.28Å; H239-E308 WeakPolarHBondContact CA-OE2 3.28Å; H239-E308 HydrophobicContact CB-CG 4.48Å; H239-E308 WeakPolarHBondContact CB-OE2 3.36Å; H239-E308 IonicContact CG-OE2 2.93Å; H239-E308 PolarHBondContact N-OE1 3.13Å; H239-E308 PolarHBondContact N-OE2 2.91Å; R240-E308 PolarHBondContact N-OE1 3.49Å; L241-E308 WeakPolarHBondContact CA-OE1 3.43Å; L241-E308 HydrophobicContact CB-CG 3.95Å; L241-E308 VanDerWaalsContact CB-OE1 3.26Å; L241-E308 WeakPolarHBondContact CB-OE1 3.31Å; L241-E308 HydrophobicContact CD1-CG 4.02Å; L241-E308 HydrophobicContact CG-CG 4.05Å; L241-E308 PolarHBondContact N-OE1 3.32Å; G242-E308 PolarHBondContact N-OE1 3.5Å; F290-E308 HydrophobicContact CD1-CG 4.03Å; F290-E308 HydrophobicContact CE1-CB 4.21Å; F290-E308 VanDerWaalsContact CE1-CD 3.42Å; F290-E308 HydrophobicContact CE1-CG 3.85Å; F290-E308 WeakPolarHBondContact CE1-OE2 3.43Å; T299-E308 HydrophobicContact CG2-CB 4.21Å; T299-E308 HydrophobicContact CG2-CG 4.25Å; H300-E308 PolarHBondContact O-N 2.9Å; I301-E308 CarbonylContact C-O 3.54Å; I301-E308 VanDerWaalsContact CA-O 3.25Å; I301-E308 WeakPolarHBondContact CA-O 3.46Å; G302-E308 PolarHBondContact N-O 3.48Å
309	M	88.8	Confident	86.6	Confident	47 Å²	47	37 Å²	37	23%	0.232	22%	0.216	C	C	.	.			trans	-132.7	145.4	166.3	-68.6	-160.9	-167.6	0	0	109.7	T238 F290 G302 N311	T238-M309 VanDerWaalsContact CA-O 3.24Å; T238-M309 WeakPolarHBondContact CA-O 3.44Å; T238-M309 VanDerWaalsContact CB-O 3.22Å; T238-M309 WeakPolarHBondContact CB-O 3.46Å; T238-M309 VanDerWaalsContact CG2-O 3.25Å; T238-M309 WeakPolarHBondContact CG2-O 3.45Å; F290-M309 WeakPolarHBondContact CZ-O 3.37Å; G302-M309 VanDerWaalsContact O-CE 3.29Å; G302-M309 WeakPolarHBondContact O-CE 3.36Å; G302-M309 WeakPolarHBondContact O-CG 3.47Å; M309-N311 PolarHBondContact SD-ND2 3.16Å
310	C	96	Very high	86.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.228	C	C	.	.			trans	-119	93.1	166.1	174	0	0	0	0	108.1	M203 S204 A218 I220 C288 F290	M203-C310 WeakPolarHBondContact CA-O 3.49Å; S204-C310 PolarHBondContact N-O 3.3Å; A218-C310 HydrophobicContact CB-CB 4.09Å; I220-C310 VanDerWaalsContact CD1-SG 3.55Å; C288-C310 HydrophobicContact CB-CB 3.77Å; C288-C310 WeakPolarHBondContact CB-SG 3.27Å; C288-C310 WeakPolarHBondContact SG-CA 3.19Å; C288-C310 WeakPolarHBondContact SG-CB 3.24Å; C288-C310 CovalentContact SG-SG 2.02Å; C288-C310 PolarHBondContact SG-SG 2.81Å; F290-C310 HydrophobicContact CE2-CB 3.98Å; F290-C310 HydrophobicContact CZ-CB 3.81Å
311	N	94.6	Very high	86.4	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.032	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.8	-177.5	-70.9	-24.4	0	0	0	111.5	L201 M203 H237 M309 Y313	L201-N311 HydrophobicContact CD1-CB 4.09Å; M203-N311 WeakPolarHBondContact CB-OD1 3.5Å; H237-N311 HydrophobicContact CB-CB 4.14Å; H237-N311 PolarHBondContact N-O 3.42Å; H237-N311 PolarHBondContact O-N 2.91Å; M309-N311 PolarHBondContact SD-ND2 3.16Å; N311-Y313 HydrophobicContact CB-CD2 4.25Å; N311-Y313 HydrophobicContact CB-CE2 3.64Å
312	F	96.6	Very high	86.5	Confident	1 Å²	1	42.5 Å²	42.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	102.7	171.1	-168.2	-93.7	0	0	0	109.2	M202 Y234 V236 V245 I258 G259 A286 I314	M202-F312 HydrophobicContact CB-CB 4.27Å; M202-F312 PolarHBondContact N-O 2.84Å; M202-F312 PolarHBondContact O-N 3.44Å; Y234-F312 AromaticContact CD2-CE2 3.69Å; Y234-F312 HydrophobicContact CD2-CE2 3.69Å; Y234-F312 AromaticContact CD2-CZ 3.76Å; Y234-F312 HydrophobicContact CD2-CZ 3.76Å; Y234-F312 HydrophobicContact CE2-CE2 4.33Å; Y234-F312 HydrophobicContact CG-CE2 4.44Å; Y234-F312 HydrophobicContact CG-CZ 4.07Å; V236-F312 HydrophobicContact CG1-CD2 3.8Å; V236-F312 HydrophobicContact CG1-CE2 3.93Å; V245-F312 HydrophobicContact CG1-CB 4.28Å; V245-F312 HydrophobicContact CG1-CD2 3.81Å; I258-F312 HydrophobicContact CB-CE1 4.45Å; I258-F312 HydrophobicContact CB-CZ 4.48Å; I258-F312 HydrophobicContact CG2-CE1 4.13Å; I258-F312 HydrophobicContact CG2-CZ 4.32Å; G259-F312 WeakPolarHBondContact O-CE2 3.25Å; A286-F312 HydrophobicContact CB-CB 4.21Å; A286-F312 HydrophobicContact CB-CG 4.42Å; F312-I314 HydrophobicContact CD1-CD1 3.92Å; F312-I314 HydrophobicContact CD1-CG1 3.62Å; F312-I314 HydrophobicContact CE1-CD1 3.86Å; F312-I314 HydrophobicContact CE1-CG1 3.64Å
313	Y	95	Very high	87.4	Confident	30 Å²	30	42.1 Å²	42.1	12%	0.118	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.6	178.6	-63.3	-94.8	0	0	0	109.9	I132 M199 L201 Y234 R235 H237 N311	I132-Y313 HydrophobicContact CG2-CD1 3.54Å; I132-Y313 HydrophobicContact CG2-CE1 3.65Å; I132-Y313 HydrophobicContact CG2-CG 4.48Å; M199-Y313 HydrophobicContact CG-CD1 4.23Å; M199-Y313 HydrophobicContact SD-CD1 4.24Å; L201-Y313 HydrophobicContact CB-CD1 4.44Å; L201-Y313 HydrophobicContact CD1-CD1 3.79Å; L201-Y313 HydrophobicContact CD1-CD2 4.25Å; L201-Y313 HydrophobicContact CD1-CE1 3.68Å; L201-Y313 HydrophobicContact CD1-CE2 4.14Å; L201-Y313 HydrophobicContact CD1-CG 4.08Å; L201-Y313 HydrophobicContact CD2-CE1 4.06Å; L201-Y313 HydrophobicContact CG-CE1 4.32Å; Y234-Y313 CarbonylContact C-O 3.51Å; Y234-Y313 WeakPolarHBondContact CA-O 3.25Å; Y234-Y313 WeakPolarHBondContact CB-O 3.26Å; R235-Y313 HydrophobicContact CB-CD2 4.47Å; R235-Y313 HydrophobicContact CG-CD2 4.32Å; R235-Y313 PolarHBondContact N-O 3.49Å; R235-Y313 PolarHBondContact O-N 2.86Å; H237-Y313 HydrophobicContact CB-CE2 4.24Å; N311-Y313 HydrophobicContact CB-CD2 4.25Å; N311-Y313 HydrophobicContact CB-CE2 3.64Å
314	I	95.4	Very high	88.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117	179.6	-40	178.8	0	0	0	109.5	M199 Y200 M202 L231 I258 L284 F312	M199-I314 CarbonylContact C-O 3.54Å; M199-I314 WeakPolarHBondContact CA-O 3.28Å; Y200-I314 PolarHBondContact N-O 3.24Å; Y200-I314 PolarHBondContact O-N 3.21Å; M202-I314 HydrophobicContact SD-CD1 4.31Å; L231-I314 HydrophobicContact CB-CG2 4.21Å; L231-I314 HydrophobicContact CD1-CG2 3.92Å; L231-I314 HydrophobicContact CD2-CG2 3.72Å; L231-I314 HydrophobicContact CG-CG2 4.15Å; I258-I314 HydrophobicContact CD1-CD1 4.16Å; I258-I314 HydrophobicContact CG2-CG2 4.1Å; L284-I314 HydrophobicContact CD2-CD1 4.48Å; F312-I314 HydrophobicContact CD1-CD1 3.92Å; F312-I314 HydrophobicContact CD1-CG1 3.62Å; F312-I314 HydrophobicContact CE1-CD1 3.86Å; F312-I314 HydrophobicContact CE1-CG1 3.64Å
315	M	93.6	Very high	89.6	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.3	166.1	-73.7	-169.3	-179.8	0	0	110.1	L133 T143 F151 M199 F232 A233 F269	L133-M315 VanDerWaalsContact O-CE 3.31Å; L133-M315 WeakPolarHBondContact O-CE 3.38Å; T143-M315 HydrophobicContact CG2-SD 4.33Å; F151-M315 HydrophobicContact CZ-CE 4.25Å; F151-M315 HydrophobicContact CZ-SD 4.41Å; M199-M315 HydrophobicContact CE-CE 4.16Å; M199-M315 HydrophobicContact CE-CG 3.49Å; M199-M315 VanDerWaalsContact CE-CG 3.49Å; M199-M315 HydrophobicContact SD-CG 4.34Å; F232-M315 HydrophobicContact CD1-CB 4.17Å; F232-M315 HydrophobicContact CD2-CB 4.48Å; F232-M315 HydrophobicContact CE1-CB 3.71Å; F232-M315 HydrophobicContact CE2-CB 4.02Å; F232-M315 HydrophobicContact CE2-SD 3.68Å; F232-M315 HydrophobicContact CZ-CB 3.63Å; F232-M315 HydrophobicContact CZ-CG 4.21Å; F232-M315 HydrophobicContact CZ-SD 3.68Å; F232-M315 PolarHBondContact N-O 2.91Å; A233-M315 HydrophobicContact CB-CB 4.09Å; A233-M315 HydrophobicContact CB-CG 4.38Å; A233-M315 HydrophobicContact CB-SD 4.13Å; A233-M315 PolarHBondContact O-N 2.71Å; F269-M315 HydrophobicContact CB-CE 4.32Å; F269-M315 HydrophobicContact CD1-CE 3.97Å; F269-M315 HydrophobicContact CD1-CG 3.87Å; F269-M315 HydrophobicContact CD1-SD 4.28Å; F269-M315 HydrophobicContact CD2-CE 3.6Å; F269-M315 HydrophobicContact CE1-CE 4.15Å; F269-M315 HydrophobicContact CE1-CG 3.86Å; F269-M315 HydrophobicContact CE2-CE 3.8Å; F269-M315 HydrophobicContact CG-CE 3.71Å; F269-M315 HydrophobicContact CG-SD 4.36Å; F269-M315 HydrophobicContact CZ-CE 4.07Å; F269-M315 HydrophobicContact CZ-CG 4.48Å
316	Y	95.1	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	165.1	172.7	60.4	-102.7	0	0	0	111.6	A197 G198 M199 M229 H230 M318 V324 Y326 M327	A197-Y316 WeakPolarHBondContact CA-O 3.2Å; G198-Y316 VanDerWaalsContact C-CZ 3.47Å; G198-Y316 PolarHBondContact N-O 2.73Å; G198-Y316 PolarHBondContact O-N 3.22Å; M199-Y316 WeakPolarHBondContact O-CE1 3.19Å; M199-Y316 PolarHBondContact O-OH 3.21Å; M229-Y316 HydrophobicContact CB-CD2 4Å; M229-Y316 HydrophobicContact CB-CG 4.06Å; M229-Y316 HydrophobicContact CE-CD1 4.39Å; M229-Y316 HydrophobicContact CG-CG 4.22Å; M229-Y316 HydrophobicContact SD-CD1 3.36Å; M229-Y316 WeakPolarHBondContact SD-CD1 3.38Å; M229-Y316 HydrophobicContact SD-CD2 4.02Å; M229-Y316 HydrophobicContact SD-CE1 3.82Å; M229-Y316 HydrophobicContact SD-CE2 4.46Å; M229-Y316 HydrophobicContact SD-CG 3.47Å; H230-Y316 CarbonylContact O-C 3.42Å; H230-Y316 WeakPolarHBondContact O-CA 3.28Å; Y316-M318 HydrophobicContact CD2-CG 3.88Å; Y316-M318 HydrophobicContact CD2-SD 4.17Å; Y316-M318 HydrophobicContact CE2-CG 4.06Å; Y316-M318 HydrophobicContact CE2-SD 3.78Å; Y316-V324 WeakPolarHBondContact CE2-O 3.36Å; Y316-V324 PolarHBondContact OH-O 2.97Å; Y316-V324 VanDerWaalsContact OH-O 3.04Å; Y316-Y326 PolarHBondContact OH-N 3.24Å; Y316-M327 HydrophobicContact CE1-CE 3.69Å; Y316-M327 HydrophobicContact CE2-CE 3.97Å; Y316-M327 VanDerWaalsContact OH-CE 3.3Å; Y316-M327 WeakPolarHBondContact OH-CE 3.23Å
317	Y	95.7	Very high	91.3	Very high	58 Å²	58	34.7 Å²	34.7	23%	0.227	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.5	161.2	61.4	-97.3	0	0	0	111.9	P146 V149 L195 I196 H230 F232	P146-Y317 HydrophobicContact CG-CD1 4.18Å; P146-Y317 HydrophobicContact CG-CE1 4.12Å; V149-Y317 HydrophobicContact CG2-CD1 3.86Å; V149-Y317 HydrophobicContact CG2-CD2 4.3Å; V149-Y317 HydrophobicContact CG2-CG 3.71Å; L195-Y317 HydrophobicContact CB-CD2 4.25Å; L195-Y317 HydrophobicContact CD1-CD2 3.74Å; L195-Y317 HydrophobicContact CD1-CE2 3.86Å; L195-Y317 HydrophobicContact CD1-CG 4.49Å; L195-Y317 HydrophobicContact CD2-CD2 4.13Å; L195-Y317 HydrophobicContact CG-CD2 4.26Å; I196-Y317 VanDerWaalsContact O-CA 3.28Å; I196-Y317 WeakPolarHBondContact O-CA 3.3Å; H230-Y317 HydrophobicContact CB-CD1 4.33Å; H230-Y317 HydrophobicContact CB-CD2 3.99Å; H230-Y317 HydrophobicContact CB-CE1 3.87Å; H230-Y317 HydrophobicContact CB-CE2 3.5Å; H230-Y317 HydrophobicContact CB-CG 4.38Å; H230-Y317 VanDerWaalsContact CB-CZ 3.42Å; H230-Y317 AromaticContact CD2-CE2 3.62Å; H230-Y317 AromaticContact CG-CE2 3.79Å; H230-Y317 PolarHBondContact N-O 2.8Å; H230-Y317 PolarHBondContact O-N 2.91Å; F232-Y317 HydrophobicContact CB-CE1 4.39Å; F232-Y317 AromaticContact CD1-CD1 3.67Å; F232-Y317 HydrophobicContact CD1-CD1 3.67Å; F232-Y317 HydrophobicContact CD1-CE1 4.32Å; F232-Y317 HydrophobicContact CE1-CD1 4.23Å; F232-Y317 HydrophobicContact CG-CD1 4.4Å
318	M	95.8	Very high	91.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.2	179.3	-67.1	177.3	75.8	0	0	110.2	L195 I196 F227 M229 Y316 A320 H322 A323 M327	L195-M318 CarbonylContact C-O 3.54Å; L195-M318 VanDerWaalsContact CA-O 3.3Å; L195-M318 WeakPolarHBondContact CA-O 3.39Å; I196-M318 PolarHBondContact N-O 3.38Å; I196-M318 PolarHBondContact O-N 2.96Å; F227-M318 HydrophobicContact CB-CE 4Å; F227-M318 WeakPolarHBondContact O-CE 3.44Å; M229-M318 HydrophobicContact CB-CG 3.53Å; M229-M318 HydrophobicContact CB-SD 4.14Å; Y316-M318 HydrophobicContact CD2-CG 3.88Å; Y316-M318 HydrophobicContact CD2-SD 4.17Å; Y316-M318 HydrophobicContact CE2-CG 4.06Å; Y316-M318 HydrophobicContact CE2-SD 3.78Å; M318-A320 PolarHBondContact O-N 3.47Å; M318-H322 WeakPolarHBondContact CE-O 3.37Å; M318-A323 HydrophobicContact CB-CB 3.7Å; M318-M327 HydrophobicContact SD-CE 4.19Å
319	E	93.5	Very high	92	Very high	100 Å²	100	35.1 Å²	35.1	47%	0.467	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	132.5	170.9	-64.8	-171.9	157.5	0	0	111.2	K321 H322 A323	E319-K321 HydrophobicContact CB-CG 4.36Å; E319-K321 PolarHBondContact O-N 3.49Å; E319-K321 WeakPolarHBondContact OE2-CE 3.39Å; E319-K321 IonicContact OE2-NZ 4Å; E319-K321 PolarHBondContact OE2-NZ 2.76Å; E319-H322 PolarHBondContact O-N 3.05Å; E319-H322 IonicContact OE2-CD2 3.55Å; E319-A323 PolarHBondContact O-N 3.09Å
320	A	89.6	Confident	92	Very high	33 Å²	33	36 Å²	36	27%	0.273	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.9	-169.5	0	0	0	0	0	116.1	Q193 P194 I196 M318	Q193-A320 WeakPolarHBondContact O-CB 3.18Å; P194-A320 WeakPolarHBondContact O-CB 3.41Å; P194-A320 PolarHBondContact O-N 3.43Å; I196-A320 HydrophobicContact CD1-CB 4.35Å; I196-A320 HydrophobicContact CG1-CB 3.73Å; M318-A320 PolarHBondContact O-N 3.47Å
321	K	88.8	Confident	91.6	Very high	145 Å²	145	41.7 Å²	41.7	63%	0.63	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.5	174.9	58.4	175.4	164.1	82.8	0	114.8	E319	E319-K321 HydrophobicContact CB-CG 4.36Å; E319-K321 PolarHBondContact O-N 3.49Å; E319-K321 WeakPolarHBondContact OE2-CE 3.39Å; E319-K321 IonicContact OE2-NZ 4Å; E319-K321 PolarHBondContact OE2-NZ 2.76Å
322	H	90.4	Very high	91.4	Very high	78 Å²	78	43.8 Å²	43.8	36%	0.361	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-5.4	-176.6	-61.1	-36.6	0	0	0	113	F227 M318 E319	F227-H322 HydrophobicContact CB-CB 3.74Å; F227-H322 HydrophobicContact CD1-CB 4.29Å; F227-H322 AromaticContact CD1-CD2 3.45Å; F227-H322 VanDerWaalsContact CD1-CD2 3.45Å; F227-H322 WeakPolarHBondContact CD1-CD2 3.4Å; F227-H322 AromaticContact CD1-CG 3.75Å; F227-H322 HydrophobicContact CD2-CB 3.67Å; F227-H322 AromaticContact CD2-CG 3.67Å; F227-H322 AromaticContact CD2-ND1 3.86Å; F227-H322 AromaticContact CE1-CD2 3.74Å; F227-H322 HydrophobicContact CE2-CB 4.37Å; F227-H322 AromaticContact CE2-CE1 3.69Å; F227-H322 AromaticContact CE2-CG 3.95Å; F227-H322 AromaticContact CE2-ND1 3.67Å; F227-H322 HydrophobicContact CG-CB 3.63Å; F227-H322 AromaticContact CG-CD2 3.73Å; F227-H322 AromaticContact CG-CG 3.56Å; F227-H322 AromaticContact CZ-ND1 3.75Å; F227-H322 AromaticContact CZ-NE2 3.81Å; M318-H322 WeakPolarHBondContact CE-O 3.37Å; E319-H322 PolarHBondContact O-N 3.05Å; E319-H322 IonicContact OE2-CD2 3.55Å
323	A	88.6	Confident	90.5	Very high	14 Å²	14	46.3 Å²	46.3	12%	0.116	25%	0.246	C	C	.	.			trans	-70.9	128.6	-172.4	0	0	0	0	0	113.2	I196 M318 E319	I196-A323 HydrophobicContact CB-CB 3.58Å; I196-A323 HydrophobicContact CG1-CB 4.12Å; I196-A323 HydrophobicContact CG2-CB 4.06Å; M318-A323 HydrophobicContact CB-CB 3.7Å; E319-A323 PolarHBondContact O-N 3.09Å
324	V	87.4	Confident	90	Very high	53 Å²	53	47.7 Å²	47.7	32%	0.321	26%	0.255	S	S	.	.			trans	-100	139.4	162.3	-170.2	0	0	0	0	106.9	Y316 Y326 M327	Y316-V324 WeakPolarHBondContact CE2-O 3.36Å; Y316-V324 PolarHBondContact OH-O 2.97Å; Y316-V324 VanDerWaalsContact OH-O 3.04Å; V324-Y326 VanDerWaalsContact CG1-O 3.28Å; V324-Y326 WeakPolarHBondContact CG1-O 3.45Å; V324-M327 HydrophobicContact CG1-CG 4.43Å
325	S	85.3	Confident	89.7	Confident	46 Å²	46	51.2 Å²	51.2	32%	0.322	28%	0.278	S	S	.	.	S	Bend	trans	-84.5	-17	-178.3	-65.2	0	0	0	0	114	G198 M199	G198-S325 CarbonylContact C-O 3.18Å; G198-S325 WeakPolarHBondContact CA-O 3.34Å; M199-S325 PolarHBondContact N-O 3.13Å
326	Y	86.6	Confident	89.5	Confident	46 Å²	46	56.3 Å²	56.3	18%	0.18	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	139.3	-177.1	-168.2	-95.2	0	0	0	112.1	K129 N131 M199 L201 Y316 V324 T328	K129-Y326 HydrophobicContact CD-CD1 4.36Å; K129-Y326 HydrophobicContact CD-CE1 4.07Å; N131-Y326 HydrophobicContact CB-CD2 4.36Å; N131-Y326 WeakPolarHBondContact OD1-CD2 3.46Å; M199-Y326 HydrophobicContact CB-CD2 3.87Å; M199-Y326 HydrophobicContact CB-CE2 4.13Å; M199-Y326 HydrophobicContact CG-CE2 4.27Å; M199-Y326 CarbonylContact O-C 3.6Å; M199-Y326 WeakPolarHBondContact O-CA 3.46Å; L201-Y326 WeakPolarHBondContact CB-OH 3.4Å; L201-Y326 WeakPolarHBondContact CD2-OH 2.77Å; Y316-Y326 PolarHBondContact OH-N 3.24Å; V324-Y326 VanDerWaalsContact CG1-O 3.28Å; V324-Y326 WeakPolarHBondContact CG1-O 3.45Å; Y326-T328 WeakPolarHBondContact CE1-OG1 3.28Å
327	M	90.5	Very high	89.4	Confident	24 Å²	24	57.3 Å²	57.3	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158	176.3	-75.4	-175.1	-85.9	0	0	110.3	M199 Y200 L201 Y224 R226 M229 Y316 M318 V324	M199-M327 PolarHBondContact O-N 3.22Å; Y200-M327 WeakPolarHBondContact CA-O 3.26Å; Y200-M327 HydrophobicContact CD2-CB 3.4Å; Y200-M327 VanDerWaalsContact CD2-CB 3.4Å; Y200-M327 HydrophobicContact CD2-CE 4.2Å; Y200-M327 HydrophobicContact CD2-CG 4.32Å; Y200-M327 HydrophobicContact CD2-SD 4.12Å; Y200-M327 HydrophobicContact CE2-CB 3.71Å; Y200-M327 HydrophobicContact CE2-SD 4.13Å; Y200-M327 HydrophobicContact CG-CB 4.12Å; L201-M327 PolarHBondContact N-O 2.67Å; Y224-M327 HydrophobicContact CE2-CE 3.81Å; Y224-M327 HydrophobicContact CE2-SD 3.89Å; R226-M327 HydrophobicContact CG-SD 3.94Å; M229-M327 HydrophobicContact SD-CE 3.8Å; Y316-M327 HydrophobicContact CE1-CE 3.69Å; Y316-M327 HydrophobicContact CE2-CE 3.97Å; Y316-M327 VanDerWaalsContact OH-CE 3.3Å; Y316-M327 WeakPolarHBondContact OH-CE 3.23Å; M318-M327 HydrophobicContact SD-CE 4.19Å; V324-M327 HydrophobicContact CG1-CG 4.43Å
328	T	91.3	Very high	89.4	Confident	53 Å²	53	54.9 Å²	54.9	33%	0.325	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.4	-178.8	-50.1	0	0	0	0	112	L201 M203 Y326 T330	L201-T328 HydrophobicContact CB-CG2 4.4Å; L201-T328 CarbonylContact O-C 3.55Å; L201-T328 WeakPolarHBondContact O-CA 2.96Å; L201-T328 WeakPolarHBondContact O-CG2 3.43Å; M203-T328 HydrophobicContact CG-CG2 4.47Å; M203-T328 HydrophobicContact SD-CG2 3.95Å; Y326-T328 WeakPolarHBondContact CE1-OG1 3.28Å; T328-T330 HydrophobicContact CG2-CG2 4.08Å
329	C	92.6	Very high	89.3	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.007	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.4	165.1	178.4	0	0	0	0	109.4	Y200 L201 M202 M203 I220 A221 C222	Y200-C329 HydrophobicContact CE1-CB 3.76Å; L201-C329 PolarHBondContact O-N 3.21Å; M202-C329 WeakPolarHBondContact CA-O 3.4Å; M202-C329 HydrophobicContact CG-CB 4.3Å; M203-C329 PolarHBondContact N-O 2.98Å; I220-C329 HydrophobicContact CG2-CB 4.31Å; I220-C329 VanDerWaalsContact CG2-SG 3.57Å; A221-C329 VanDerWaalsContact C-SG 3.53Å; C222-C329 HydrophobicContact CB-CB 3.7Å; C222-C329 WeakPolarHBondContact CB-SG 3.16Å; C222-C329 PolarHBondContact N-SG 3.23Å; C222-C329 VanDerWaalsContact N-SG 3.42Å; C222-C329 VanDerWaalsContact SG-CA 3.52Å; C222-C329 WeakPolarHBondContact SG-CB 3.12Å; C222-C329 CovalentContact SG-SG 2.03Å; C222-C329 PolarHBondContact SG-SG 2.86Å
330	T	90.6	Very high	89.3	Confident	64 Å²	64	64.7 Å²	64.7	39%	0.393	34%	0.339	S	S	.	.			trans	-110	4.7	176.5	45.4	0	0	0	0	113	M203 V205 T328	M203-T330 HydrophobicContact CG-CG2 3.67Å; M203-T330 WeakPolarHBondContact O-CA 3.45Å; M203-T330 HydrophobicContact SD-CG2 4Å; V205-T330 HydrophobicContact CG1-CG2 3.93Å; T328-T330 HydrophobicContact CG2-CG2 4.08Å
331	Q	87.2	Confident	89.6	Confident	120 Å²	120	63.5 Å²	63.5	56%	0.561	33%	0.328	S	S	*	.			trans	-118	162.7	-165.4	-58.5	179.4	7.7	0	0	111.4	I220 A221	I220-Q331 CarbonylContact C-O 3.55Å; A221-Q331 CarbonylContact C-O 3.42Å; A221-Q331 PolarHBondContact N-O 2.61Å; A221-Q331 VanDerWaalsContact O-O 3.12Å
332	N	89.4	Confident	90	Very high	50 Å²	50	58.2 Å²	58.2	27%	0.267	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-118.1	86.1	162.2	-170.6	-13.1	0	0	0	109.6	D219 N334 P335 F338	D219-N332 WeakPolarHBondContact CB-ND2 3.36Å; D219-N332 WeakPolarHBondContact O-CB 3.06Å; D219-N332 PolarHBondContact O-ND2 2.79Å; N332-N334 PolarHBondContact O-N 3.1Å; N332-N334 VanDerWaalsContact OD1-C 3.31Å; N332-N334 PolarHBondContact OD1-N 2.96Å; N332-P335 HydrophobicContact CB-CG 4.42Å; N332-P335 WeakPolarHBondContact OD1-CA 3.27Å; N332-F338 WeakPolarHBondContact OD1-CE2 3.38Å
333	A	78.7	Confident	90.1	Very high	55 Å²	55	60.9 Å²	60.9	46%	0.455	32%	0.321	S	S	.	.	S	Bend	trans	-71.2	-11.3	-176.2	0	0	0	0	0	114	A221	A221-A333 WeakPolarHBondContact O-CB 3.28Å; A221-A333 PolarHBondContact O-N 2.81Å
334	N	84.3	Confident	90.3	Very high	58 Å²	58	64.1 Å²	64.1	31%	0.31	33%	0.334	S	S	.	.			trans	-151.3	75	178	-167.7	-12.5	0	0	0	112.2	N332 E336 M337	N332-N334 PolarHBondContact O-N 3.1Å; N332-N334 VanDerWaalsContact OD1-C 3.31Å; N332-N334 PolarHBondContact OD1-N 2.96Å; N334-E336 VanDerWaalsContact C-N 3.32Å; N334-E336 PolarHBondContact O-N 3.43Å; N334-M337 HydrophobicContact CB-CB 4.28Å; N334-M337 VanDerWaalsContact O-CB 3.3Å; N334-M337 WeakPolarHBondContact O-CB 3.49Å; N334-M337 PolarHBondContact O-N 3.1Å; N334-M337 PolarHBondContact OD1-N 2.88Å
335	P	88.9	Confident	90.6	Very high	75 Å²	75	61.6 Å²	61.6	49%	0.487	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63.3	-35.9	-177.4	-22.3	33.8	0	0	0	113.1	N332 M337 F338	N332-P335 HydrophobicContact CB-CG 4.42Å; N332-P335 WeakPolarHBondContact OD1-CA 3.27Å; P335-M337 PolarHBondContact O-N 2.77Å; P335-M337 VanDerWaalsContact O-N 3.17Å; P335-F338 PolarHBondContact O-N 2.84Å; P335-F338 VanDerWaalsContact O-N 3.13Å
336	E	90	Very high	90.9	Very high	109 Å²	109	61.6 Å²	61.6	51%	0.509	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-59.7	-28.7	179.9	-67.9	-68.2	97.4	0	0	112.8	N334 F338 R339	N334-E336 VanDerWaalsContact C-N 3.32Å; N334-E336 PolarHBondContact O-N 3.43Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 2.99Å; E336-R339 VanDerWaalsContact CD-CZ 3.45Å; E336-R339 PolarHBondContact O-N 2.7Å; E336-R339 IonicContact OE1-CZ 2.76Å; E336-R339 IonicContact OE1-NE 3.76Å; E336-R339 IonicContact OE1-NH1 3.52Å; E336-R339 IonicContact OE1-NH2 3.21Å; E336-R339 PolarHBondContact OE1-NH2 3.39Å; E336-R339 IonicContact OE2-CZ 2.7Å; E336-R339 IonicContact OE2-NH1 3.83Å; E336-R339 PolarHBondContact OE2-NH1 3.23Å; E336-R339 IonicContact OE2-NH2 3.88Å; E336-R339 PolarHBondContact OE2-NH2 2.71Å; E336-R339 VanDerWaalsContact OE2-NH2 3.08Å
337	M	93.3	Very high	91.1	Very high	21 Å²	21	63 Å²	63	10%	0.103	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-60.2	-36.5	178	-170.1	179.6	68.7	0	0	112.4	V250 W255 I283 A285 N334 P335 R339 N340	V250-M337 HydrophobicContact CB-CE 4.42Å; V250-M337 HydrophobicContact CB-SD 4.07Å; V250-M337 HydrophobicContact CG1-SD 3.88Å; V250-M337 HydrophobicContact CG2-CE 3.88Å; V250-M337 HydrophobicContact CG2-SD 4.06Å; W255-M337 HydrophobicContact CH2-CE 3.89Å; W255-M337 HydrophobicContact CH2-CG 4.48Å; W255-M337 HydrophobicContact CZ2-CE 4.12Å; W255-M337 HydrophobicContact CZ2-CG 3.84Å; W255-M337 HydrophobicContact CZ2-SD 4.47Å; I283-M337 HydrophobicContact CD1-SD 3.85Å; I283-M337 HydrophobicContact CG2-CE 3.84Å; I283-M337 HydrophobicContact CG2-SD 4.47Å; A285-M337 HydrophobicContact CB-CE 3.73Å; N334-M337 HydrophobicContact CB-CB 4.28Å; N334-M337 VanDerWaalsContact O-CB 3.3Å; N334-M337 WeakPolarHBondContact O-CB 3.49Å; N334-M337 PolarHBondContact O-N 3.1Å; N334-M337 PolarHBondContact OD1-N 2.88Å; P335-M337 PolarHBondContact O-N 2.77Å; P335-M337 VanDerWaalsContact O-N 3.17Å; M337-R339 PolarHBondContact O-N 3.06Å; M337-R339 VanDerWaalsContact O-N 3.13Å; M337-N340 PolarHBondContact O-N 2.86Å
338	F	95.4	Very high	90.9	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.035	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-65	-17.4	-174.9	-73.9	-96.7	0	0	0	113.7	D219 A221 W255 A285 N332 P335 E336 N340 I341	D219-F338 HydrophobicContact CB-CD1 3.83Å; D219-F338 HydrophobicContact CB-CD2 4.07Å; D219-F338 HydrophobicContact CB-CE1 3.68Å; D219-F338 HydrophobicContact CB-CE2 3.93Å; D219-F338 HydrophobicContact CB-CG 4.02Å; D219-F338 HydrophobicContact CB-CZ 3.74Å; D219-F338 WeakPolarHBondContact OD1-CD1 3.42Å; D219-F338 WeakPolarHBondContact OD1-CE1 3.49Å; D219-F338 WeakPolarHBondContact OD2-CB 3.29Å; D219-F338 WeakPolarHBondContact OD2-CD1 3.43Å; D219-F338 WeakPolarHBondContact OD2-CG 3.45Å; A221-F338 HydrophobicContact CB-CE2 3.7Å; A221-F338 HydrophobicContact CB-CZ 3.9Å; W255-F338 HydrophobicContact CH2-CD1 4.11Å; W255-F338 HydrophobicContact CH2-CE1 4.32Å; W255-F338 HydrophobicContact CH2-CG 4.42Å; A285-F338 HydrophobicContact CB-CE1 4.36Å; A285-F338 HydrophobicContact CB-CZ 3.97Å; N332-F338 WeakPolarHBondContact OD1-CE2 3.38Å; P335-F338 PolarHBondContact O-N 2.84Å; P335-F338 VanDerWaalsContact O-N 3.13Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 2.99Å; F338-N340 PolarHBondContact O-N 3Å; F338-N340 VanDerWaalsContact O-N 3.09Å; F338-I341 HydrophobicContact CD1-CD1 3.94Å; F338-I341 HydrophobicContact CE1-CD1 4.3Å; F338-I341 WeakPolarHBondContact O-CB 3.29Å; F338-I341 WeakPolarHBondContact O-CG2 3.21Å; F338-I341 PolarHBondContact O-N 2.91Å
339	R	92.4	Very high	90.7	Very high	182 Å²	182	65.1 Å²	65.1	69%	0.687	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.3	168.8	-63.5	-175.6	-177.2	153	7.3	113.4	E336 M337	E336-R339 VanDerWaalsContact CD-CZ 3.45Å; E336-R339 PolarHBondContact O-N 2.7Å; E336-R339 IonicContact OE1-CZ 2.76Å; E336-R339 IonicContact OE1-NE 3.76Å; E336-R339 IonicContact OE1-NH1 3.52Å; E336-R339 IonicContact OE1-NH2 3.21Å; E336-R339 PolarHBondContact OE1-NH2 3.39Å; E336-R339 IonicContact OE2-CZ 2.7Å; E336-R339 IonicContact OE2-NH1 3.83Å; E336-R339 PolarHBondContact OE2-NH1 3.23Å; E336-R339 IonicContact OE2-NH2 3.88Å; E336-R339 PolarHBondContact OE2-NH2 2.71Å; E336-R339 VanDerWaalsContact OE2-NH2 3.08Å; M337-R339 PolarHBondContact O-N 3.06Å; M337-R339 VanDerWaalsContact O-N 3.13Å
340	N	93.4	Very high	89.9	Confident	123 Å²	123	73.3 Å²	73.3	66%	0.658	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-107.3	16.1	178.4	-57.4	-58.3	0	0	0	113.1	W255 M337 F338	W255-N340 PolarHBondContact NE1-O 3.21Å; W255-N340 VanDerWaalsContact NE1-O 3.07Å; M337-N340 PolarHBondContact O-N 2.86Å; F338-N340 PolarHBondContact O-N 3Å; F338-N340 VanDerWaalsContact O-N 3.09Å
341	I	96.3	Very high	88.6	Confident	8 Å²	8	72 Å²	72	4%	0.041	38%	0.376	C	S	.	.			trans	-64.4	142.5	178	-163.1	166.4	0	0	0	111.3	Y248 W255 R287 F338 Q343 A345	Y248-I341 HydrophobicContact CD2-CD1 4.44Å; Y248-I341 HydrophobicContact CE2-CD1 4.09Å; Y248-I341 HydrophobicContact CE2-CG1 4.19Å; W255-I341 HydrophobicContact CE3-CG1 4.07Å; W255-I341 HydrophobicContact CH2-CB 3.85Å; W255-I341 HydrophobicContact CH2-CD1 4.06Å; W255-I341 HydrophobicContact CH2-CG1 3.76Å; W255-I341 HydrophobicContact CZ2-CB 3.98Å; W255-I341 HydrophobicContact CZ2-CG1 4.28Å; W255-I341 HydrophobicContact CZ3-CB 4.25Å; W255-I341 HydrophobicContact CZ3-CD1 3.9Å; W255-I341 HydrophobicContact CZ3-CG1 3.65Å; R287-I341 HydrophobicContact CB-CD1 3.99Å; F338-I341 HydrophobicContact CD1-CD1 3.94Å; F338-I341 HydrophobicContact CE1-CD1 4.3Å; F338-I341 WeakPolarHBondContact O-CB 3.29Å; F338-I341 WeakPolarHBondContact O-CG2 3.21Å; F338-I341 PolarHBondContact O-N 2.91Å; I341-Q343 PolarHBondContact O-N 3.05Å; I341-A345 HydrophobicContact CD1-CB 3.57Å; I341-A345 HydrophobicContact CG1-CB 3.75Å
342	P	96.6	Very high	87.1	Confident	34 Å²	34	74.6 Å²	74.6	22%	0.221	39%	0.386	C	S	.	.			trans	-55.1	132.8	172.2	-29.3	37.8	0	0	0	112.2	Y248 W255 E344 A345	Y248-P342 HydrophobicContact CD1-CG 4.5Å; Y248-P342 HydrophobicContact CE1-CB 4.3Å; Y248-P342 HydrophobicContact CE1-CG 3.91Å; W255-P342 HydrophobicContact CB-CG 3.83Å; W255-P342 HydrophobicContact CG-CG 4.11Å; P342-E344 HydrophobicContact CB-CG 3.91Å; P342-E344 PolarHBondContact O-N 2.74Å; P342-E344 VanDerWaalsContact O-N 3.1Å; P342-A345 WeakPolarHBondContact O-CB 3.3Å; P342-A345 PolarHBondContact O-N 3.09Å
343	Q	92.6	Very high	84.8	Confident	134 Å²	134	75.7 Å²	75.7	63%	0.626	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.6	-172.9	-67.6	-63.1	-21.4	0	0	114	I341 A345 N346 T347	I341-Q343 PolarHBondContact O-N 3.05Å; Q343-A345 PolarHBondContact O-N 3.13Å; Q343-N346 PolarHBondContact O-N 3.43Å; Q343-N346 PolarHBondContact OE1-ND2 2.66Å; Q343-N346 VanDerWaalsContact OE1-ND2 3.17Å; Q343-T347 PolarHBondContact O-N 2.76Å; Q343-T347 PolarHBondContact O-OG1 2.93Å
344	E	92.7	Very high	83.3	Confident	83 Å²	83	78.1 Å²	78.1	39%	0.388	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-55.9	-32.6	168.6	67.8	-148	-135.4	0	0	112.6	Y248 R260 P342 N346 T347	Y248-E344 VanDerWaalsContact OH-CG 3.28Å; Y248-E344 WeakPolarHBondContact OH-CG 3.49Å; R260-E344 PolarHBondContact NE-O 2.85Å; R260-E344 PolarHBondContact NH2-O 3.48Å; P342-E344 HydrophobicContact CB-CG 3.91Å; P342-E344 PolarHBondContact O-N 2.74Å; P342-E344 VanDerWaalsContact O-N 3.1Å; E344-N346 PolarHBondContact O-N 3.36Å; E344-T347 PolarHBondContact O-N 2.86Å; E344-T347 VanDerWaalsContact O-N 3.14Å
345	A	94.4	Very high	81.4	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-59.6	-35.9	178.5	0	0	0	0	0	112.8	V244 S246 Y248 I341 P342 Q343	V244-A345 WeakPolarHBondContact CG1-O 3.45Å; S246-A345 WeakPolarHBondContact OG-CA 3.23Å; Y248-A345 HydrophobicContact CE2-CB 3.97Å; Y248-A345 WeakPolarHBondContact OH-CB 3.37Å; I341-A345 HydrophobicContact CD1-CB 3.57Å; I341-A345 HydrophobicContact CG1-CB 3.75Å; P342-A345 WeakPolarHBondContact O-CB 3.3Å; P342-A345 PolarHBondContact O-N 3.09Å; Q343-A345 PolarHBondContact O-N 3.13Å
346	N	92.5	Very high	79.2	Confident	46 Å²	46	80.4 Å²	80.4	25%	0.246	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-86.9	-14.3	-177.3	-53.8	-30.4	0	0	0	112.1	R287 Q343 E344 P348	R287-N346 WeakPolarHBondContact CD-OD1 3.42Å; R287-N346 PolarHBondContact NH1-OD1 3.19Å; Q343-N346 PolarHBondContact O-N 3.43Å; Q343-N346 PolarHBondContact OE1-ND2 2.66Å; Q343-N346 VanDerWaalsContact OE1-ND2 3.17Å; E344-N346 PolarHBondContact O-N 3.36Å; N346-P348 WeakPolarHBondContact O-CD 3.47Å
347	T	89.2	Confident	76.8	Confident	74 Å²	74	82.3 Å²	82.3	45%	0.454	42%	0.415	S	S	.	.	S	Bend	trans	-92.1	120.2	-172.6	-55.8	0	0	0	0	110.2	R260 Q343 E344	R260-T347 PolarHBondContact NH2-O 3.47Å; Q343-T347 PolarHBondContact O-N 2.76Å; Q343-T347 PolarHBondContact O-OG1 2.93Å; E344-T347 PolarHBondContact O-N 2.86Å; E344-T347 VanDerWaalsContact O-N 3.14Å
348	P	87.3	Confident	74.4	Confident	75 Å²	75	87.5 Å²	87.5	49%	0.487	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-59	150.2	174.2	-24.5	35	0	0	0	112.7	K243 N346	K243-P348 HydrophobicContact CB-CG 4.49Å; N346-P348 WeakPolarHBondContact O-CD 3.47Å
349	I	87.7	Confident	71.9	Confident	47 Å²	47	88.9 Å²	88.9	24%	0.241	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-83.4	129.6	171.6	-68.9	167	0	0	0	109.1	V244 R260 V351	V244-I349 HydrophobicContact CG2-CD1 4.48Å; R260-I349 HydrophobicContact CG-CD1 4.2Å; I349-V351 PolarHBondContact O-N 2.69Å
350	L	74.9	Confident	69.4	Low	174 Å²	174	85 Å²	85	91%	0.911	44%	0.439	S	S	*	.			trans	-70.7	95.3	178.6	-79.9	162.1	0	0	0	111.5
351	V	64	Low	66.2	Low	36 Å²	36	81.7 Å²	81.7	22%	0.218	44%	0.435	C	S	.	.			trans	-80.3	121.6	173.5	-176.5	0	0	0	0	110	L265 I349 M355 L356	L265-V351 HydrophobicContact CD1-CG2 4.09Å; L265-V351 HydrophobicContact CD2-CG1 3.97Å; L265-V351 HydrophobicContact CD2-CG2 4.14Å; L265-V351 HydrophobicContact CG-CG2 4.01Å; I349-V351 PolarHBondContact O-N 2.69Å; V351-M355 HydrophobicContact CG1-CB 3.97Å; V351-L356 HydrophobicContact CB-CD1 4.02Å; V351-L356 HydrophobicContact CB-CG 4.36Å; V351-L356 HydrophobicContact CG1-CD1 3.99Å; V351-L356 HydrophobicContact CG1-CG 3.87Å
352	K	55.2	Low	63.2	Low	174 Å²	174	86.8 Å²	86.8	76%	0.757	46%	0.458	S	S	*	.			trans	-65.8	136.2	173.9	-68.6	-172.7	177.3	-174.9	0	110.1	D354 M355	K352-D354 PolarHBondContact O-N 3.36Å; K352-M355 PolarHBondContact O-N 3.33Å
353	S	41.6	Very low	59.9	Low	73 Å²	73	94.3 Å²	94.3	51%	0.51	49%	0.49	S	S	.	.	H	α-helix	trans	-52.9	-32.7	-168.9	-178	0	0	0	0	114.7	M355 L356 K357	S353-M355 PolarHBondContact O-N 3.28Å; S353-L356 WeakPolarHBondContact O-CB 3.47Å; S353-L356 PolarHBondContact O-N 2.92Å; S353-L356 VanDerWaalsContact O-N 3.1Å; S353-K357 PolarHBondContact O-N 2.93Å; S353-K357 VanDerWaalsContact O-N 3.12Å
354	D	46.4	Very low	56.8	Low	106 Å²	106	96 Å²	96	57%	0.567	50%	0.498	S	S	*	.	H	α-helix	trans	-70.4	-16.1	-179.8	-59.3	-39	0	0	0	114	K352 K357	K352-D354 PolarHBondContact O-N 3.36Å; D354-K357 IonicContact OD1-NZ 2.73Å; D354-K357 PolarHBondContact OD1-NZ 2.77Å
355	M	45.2	Very low	53.7	Low	94 Å²	94	99.4 Å²	99.4	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-85.1	-31.4	168.3	-59.3	-159.1	76.7	0	0	112.4	V351 K352 S353 K357 M358	V351-M355 HydrophobicContact CG1-CB 3.97Å; K352-M355 PolarHBondContact O-N 3.33Å; S353-M355 PolarHBondContact O-N 3.28Å; M355-K357 VanDerWaalsContact C-N 3.33Å; M355-K357 PolarHBondContact O-N 3.47Å; M355-M358 PolarHBondContact O-N 2.86Å
356	L	42.3	Very low	50.4	Low	88 Å²	88	104.5 Å²	104.5	46%	0.461	55%	0.549	S	S	.	.	H	α-helix	trans	-69.5	-27	175.3	-94.3	156.4	0	0	0	113.1	V351 S353 M358 T359	V351-L356 HydrophobicContact CB-CD1 4.02Å; V351-L356 HydrophobicContact CB-CG 4.36Å; V351-L356 HydrophobicContact CG1-CD1 3.99Å; V351-L356 HydrophobicContact CG1-CG 3.87Å; S353-L356 WeakPolarHBondContact O-CB 3.47Å; S353-L356 PolarHBondContact O-N 2.92Å; S353-L356 VanDerWaalsContact O-N 3.1Å; L356-M358 PolarHBondContact O-N 2.8Å; L356-M358 VanDerWaalsContact O-N 3.16Å; L356-T359 PolarHBondContact O-N 3.49Å; L356-T359 PolarHBondContact O-OG1 2.86Å; L356-T359 VanDerWaalsContact O-OG1 3.05Å
357	K	39.8	Very low	47.3	Very low	148 Å²	148	110.3 Å²	110.3	64%	0.643	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-0.5	173.5	-67.8	172.1	-166.4	155.4	0	114	S353 D354 M355	S353-K357 PolarHBondContact O-N 2.93Å; S353-K357 VanDerWaalsContact O-N 3.12Å; D354-K357 IonicContact OD1-NZ 2.73Å; D354-K357 PolarHBondContact OD1-NZ 2.77Å; M355-K357 VanDerWaalsContact C-N 3.33Å; M355-K357 PolarHBondContact O-N 3.47Å
358	M	42.3	Very low	44.3	Very low	130 Å²	130	114.7 Å²	114.7	64%	0.64	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	0.7	-179.1	-57.3	-172.1	-176.1	0	0	113.5	M355 L356	M355-M358 PolarHBondContact O-N 2.86Å; L356-M358 PolarHBondContact O-N 2.8Å; L356-M358 VanDerWaalsContact O-N 3.16Å
359	T	43.2	Very low	41.4	Very low	38 Å²	38	115.5 Å²	115.5	23%	0.233	61%	0.606	C	S	.	*	S	Bend	trans	-107.5	-17.4	-169.6	57.3	0	0	0	0	115.2	Q264 L356	Q264-T359 WeakPolarHBondContact O-CG2 3.47Å; L356-T359 PolarHBondContact O-N 3.49Å; L356-T359 PolarHBondContact O-OG1 2.86Å; L356-T359 VanDerWaalsContact O-OG1 3.05Å
360	H	38.9	Very low	38.5	Very low	100 Å²	100	120.4 Å²	120.4	46%	0.463	63%	0.633	S	S	.	*			trans	-134.4	107.6	177.7	-75.2	-3.4	0	0	0	111.2	H362	H360-H362 PolarHBondContact O-N 2.86Å
361	G	27.6	Very low	36.3	Very low	54 Å²	54	120.2 Å²	120.2	56%	0.557	63%	0.625	S	S	*	*			trans	-82.9	29.6	179.5	0	0	0	0	0	115.3	H363	G361-H363 PolarHBondContact O-N 2.99Å
362	H	32.1	Very low	34.5	Very low	115 Å²	115	125.9 Å²	125.9	53%	0.532	65%	0.654	S	S	.	*			trans	-80.6	104.4	-175.9	-79.6	-77.8	0	0	0	111.9	D72 R240 H360 E364	D72-H362 IonicContact OD2-NE2 3.68Å; R240-H362 PolarHBondContact NH2-NE2 2.99Å; R240-H362 VanDerWaalsContact NH2-NE2 3.19Å; H360-H362 PolarHBondContact O-N 2.86Å; H362-E364 PolarHBondContact O-N 3.25Å
363	H	28.2	Very low	33.1	Very low	191 Å²	191	122.1 Å²	122.1	88%	0.884	65%	0.649	S	S	*	*			trans	-76.3	98.9	162.3	-97.2	-72.3	0	0	0	109.8	G361	G361-H363 PolarHBondContact O-N 2.99Å
364	E	26.6	Very low	32.4	Very low	171 Å²	171	125.7 Å²	125.7	80%	0.799	66%	0.662	S	S	*	*			trans	-79.2	118.8	154.9	-71.9	-165.7	141.3	0	0	109.2	H362 S366	H362-E364 PolarHBondContact O-N 3.25Å; E364-S366 PolarHBondContact O-N 3.22Å
365	E	27.4	Very low	31.3	Very low	153 Å²	153	127.6 Å²	127.6	72%	0.715	67%	0.667	S	S	*	*			trans	-74.8	77.2	164	-78.8	-152.9	143.2	0	0	109.7	K367	E365-K367 PolarHBondContact O-N 3.41Å; E365-K367 IonicContact OE2-NZ 3.52Å; E365-K367 PolarHBondContact OE2-NZ 2.85Å
366	S	26.3	Very low	30.2	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	68%	0.684	S	S	*	*			trans	-70.3	81.5	165.9	48.7	0	0	0	0	110.3	E364 D368	E364-S366 PolarHBondContact O-N 3.22Å; S366-D368 VanDerWaalsContact C-N 3.27Å; S366-D368 PolarHBondContact O-N 3.49Å
367	K	26.6	Very low	29.5	Very low	168 Å²	168	136 Å²	136	73%	0.73	70%	0.703	S	S	*	*			trans	-70.3	86.7	164.5	-77.5	179.3	-177.3	118.5	0	109.4	E365	E365-K367 PolarHBondContact O-N 3.41Å; E365-K367 IonicContact OE2-NZ 3.52Å; E365-K367 PolarHBondContact OE2-NZ 2.85Å
368	D	26.6	Very low	29	Very low	165 Å²	165	135 Å²	135	88%	0.882	71%	0.712	S	S	*	*			trans	-138.3	142.5	144.6	-126.4	-30.6	0	0	0	110.6	S366	S366-D368 VanDerWaalsContact C-N 3.27Å; S366-D368 PolarHBondContact O-N 3.49Å
369	A	26.7	Very low	28.1	Very low	93 Å²	93	138 Å²	138	77%	0.769	72%	0.721	S	S	*	*			trans	-134.8	101.2	-166.6	0	0	0	0	0	111.9
370	D	26.7	Very low	27.2	Very low	150 Å²	150	146 Å²	146	80%	0.802	75%	0.747	S	S	*	*			trans	-143.8	169.2	150.1	-134.2	-26.3	0	0	0	113.9
371	K	29.4	Very low	26.6	Very low	169 Å²	169	147.2 Å²	147.2	74%	0.735	75%	0.753	S	S	*	*			trans	-109.4	145.7	-150.8	-60.7	156.8	-173.1	135.8	0	114
372	N	25.8	Very low	26.6	Very low	155 Å²	155	154 Å²	154	83%	0.829	77%	0.771	S	S	*	*			trans	59.9	136.4	146.2	-64.3	-17.9	0	0	0	116.9
373	S	25.9	Very low	26.3	Very low	95 Å²	95	158.1 Å²	158.1	66%	0.664	79%	0.79	S	S	*	*			cis	-171	160.9	38.6	46.2	0	0	0	0	111.4
374	L	25.6	Very low	26.2	Very low	149 Å²	149	157.8 Å²	157.8	78%	0.78	79%	0.789	S	S	*	*			trans	44.2	135.3	142	-60.2	165.3	0	0	0	118.4
375	Q	23.7	Very low	26.3	Very low	145 Å²	145	156.5 Å²	156.5	68%	0.678	79%	0.792	S	S	*	*			cis	-173.4	148.2	39.4	-143.6	163.2	-10.9	0	0	112.4
376	Q	23.6	Very low	26.2	Very low	173 Å²	173	157.1 Å²	157.1	81%	0.808	80%	0.8	S	S	*	*			trans	58.1	139.3	148.3	-78.1	164.2	-26.2	0	0	124.4
377	Q	25.8	Very low	26.3	Very low	185 Å²	185	158.9 Å²	158.9	86%	0.864	80%	0.801	S	S	*	*			trans	-67.9	167.4	166.6	-91.6	178.4	1	0	0	113.2
378	P	29.4	Very low	26.3	Very low	127 Å²	127	160.4 Å²	160.4	83%	0.825	81%	0.81	S	S	*	*				-151.3	-168.8	50.9	42.6	-19.7	0	0	0	119.1
379	K	24.5	Very low	26.5	Very low	194 Å²	194	155.1 Å²	155.1	84%	0.843	80%	0.795	S	S	*	*			trans	-83.6	162.5	-175.7	-56	177.8	173.2	-172.1	0	115.1
380	R	24.7	Very low	26.9	Very low	205 Å²	205	155.8 Å²	155.8	77%	0.774	79%	0.786	S	S	*	*				-158.8	131.5	122	-100.9	-165.3	134.8	145.6	0.3	109.9
381	E	26.5	Very low	27.2	Very low	127 Å²	127	156.4 Å²	156.4	59%	0.593	78%	0.781	S	S	*	*				58.9	100.4	93.1	-69.5	162.5	-140.3	0	0	111.1
382	E	27.1	Very low	27.6	Very low	197 Å²	197	157.3 Å²	157.3	92%	0.921	78%	0.782	S	S	*	*				76.3	127.6	59.5	-68.2	-169.6	149.2	0	0	114.6
383	E	26.1	Very low	28.2	Very low	200 Å²	200	152.2 Å²	152.2	94%	0.935	76%	0.758	S	S	*	*			trans	-141.6	156.7	168.2	-164.4	167.2	-127.6	0	0	108.6
384	E	25.6	Very low	28.8	Very low	184 Å²	184	152.5 Å²	152.5	86%	0.86	75%	0.751	S	S	*	*			trans	-94.9	155.8	-151.1	-56.7	177.8	121.8	0	0	116.4
385	V	27.9	Very low	29.3	Very low	144 Å²	144	151 Å²	151	87%	0.873	74%	0.744	S	S	*	*			trans	-135.9	138.2	157.2	-179.6	0	0	0	0	108.6
386	L	25.7	Very low	30.2	Very low	167 Å²	167	148.8 Å²	148.8	87%	0.874	74%	0.744	S	S	*	*			trans	-76.3	148	-173.5	-72.5	81.1	0	0	0	113.5
387	D	28.2	Very low	30.8	Very low	145 Å²	145	147.5 Å²	147.5	78%	0.775	74%	0.736	S	S	*	*			trans	-95	147.8	170.9	-179.4	24.7	0	0	0	111.8
388	Q	27.9	Very low	31.4	Very low	200 Å²	200	144.8 Å²	144.8	94%	0.935	73%	0.727	S	S	*	*			trans	-126.5	71	172.2	-76.9	-163.6	-13.4	0	0	110.9
389	G	29.4	Very low	31.8	Very low	54 Å²	54	146.5 Å²	146.5	56%	0.557	73%	0.728	S	S	*	*			trans	-109.5	-2.6	-177.3	0	0	0	0	0	117.4	F391	G389-F391 PolarHBondContact O-N 2.62Å
390	D	35	Very low	32	Very low	107 Å²	107	140.1 Å²	140.1	57%	0.572	72%	0.717	S	S	*	*			trans	-99.1	78	-164.1	-151.3	15.1	0	0	0	115.1	S393	D390-S393 WeakPolarHBondContact OD1-CB 3.41Å; D390-S393 PolarHBondContact OD1-OG 2.94Å
391	F	34.5	Very low	32.4	Very low	163 Å²	163	139.2 Å²	139.2	72%	0.715	72%	0.722	S	S	*	*	S	Bend	trans	-131.8	-45.1	160.7	-164.3	-107.8	0	0	0	112.3	G389 L394	G389-F391 PolarHBondContact O-N 2.62Å; F391-L394 WeakPolarHBondContact O-CB 3.2Å; F391-L394 PolarHBondContact O-N 3.2Å
392	Y	36.3	Very low	32.5	Very low	188 Å²	188	143.8 Å²	143.8	74%	0.737	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-18.6	178.4	-76.1	-81.2	0	0	0	114.2	L394 L395	Y392-L394 PolarHBondContact O-N 2.99Å; Y392-L395 PolarHBondContact O-N 2.86Å
393	S	37.9	Very low	32.7	Very low	47 Å²	47	142.1 Å²	142.1	33%	0.329	73%	0.726	S	S	.	*	H	α-helix	trans	-64.1	-23.4	170.3	117.7	0	0	0	0	112.3	D390 K397	D390-S393 WeakPolarHBondContact OD1-CB 3.41Å; D390-S393 PolarHBondContact OD1-OG 2.94Å; S393-K397 WeakPolarHBondContact O-CD 3.31Å; S393-K397 WeakPolarHBondContact O-CG 3.41Å; S393-K397 PolarHBondContact OG-NZ 3.03Å
394	L	39	Very low	32.9	Very low	101 Å²	101	139 Å²	139	53%	0.529	72%	0.716	S	S	.	*	H	α-helix	trans	-78.4	-23.1	-176.5	-144.2	135.1	0	0	0	113.1	F391 Y392	F391-L394 WeakPolarHBondContact O-CB 3.2Å; F391-L394 PolarHBondContact O-N 3.2Å; Y392-L394 PolarHBondContact O-N 2.99Å
395	L	37.7	Very low	33	Very low	118 Å²	118	135.9 Å²	135.9	62%	0.618	71%	0.709	S	S	*	*	H	α-helix	trans	-79.7	-39	178.6	-129.6	75	0	0	0	112.8	Y392 K397 L398	Y392-L395 PolarHBondContact O-N 2.86Å; L395-K397 PolarHBondContact O-N 3.3Å; L395-L398 WeakPolarHBondContact O-CB 3.49Å; L395-L398 PolarHBondContact O-N 3.23Å; L395-L398 VanDerWaalsContact O-N 3.15Å
396	S	41.1	Very low	33	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	70%	0.702	S	S	*	*	H	α-helix	trans	-67.7	-26	175.2	-60.5	0	0	0	0	112.7	L398	S396-L398 PolarHBondContact O-N 3.15Å
397	K	37.6	Very low	32.9	Very low	146 Å²	146	134.5 Å²	134.5	64%	0.635	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-9.3	173.9	-72.6	166.1	-177.3	154.7	0	113.6	S393 L395	S393-K397 WeakPolarHBondContact O-CD 3.31Å; S393-K397 WeakPolarHBondContact O-CG 3.41Å; S393-K397 PolarHBondContact OG-NZ 3.03Å; L395-K397 PolarHBondContact O-N 3.3Å
398	L	37.6	Very low	32.9	Very low	129 Å²	129	133.2 Å²	133.2	68%	0.675	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-7.2	179	-104.5	164.3	0	0	0	114.7	L395 S396	L395-L398 WeakPolarHBondContact O-CB 3.49Å; L395-L398 PolarHBondContact O-N 3.23Å; L395-L398 VanDerWaalsContact O-N 3.15Å; S396-L398 PolarHBondContact O-N 3.15Å
399	L	38.1	Very low	32.8	Very low	163 Å²	163	131.2 Å²	131.2	85%	0.853	68%	0.683	S	S	*	*	S	Bend	trans	-124.4	31.1	-178.7	-62.8	175.4	0	0	0	112.4
400	G	28.6	Very low	32.5	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	69%	0.694	S	S	*	*			trans	-73.4	145.6	-155.7	0	0	0	0	0	119.3
401	E	32.1	Very low	31.9	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	70%	0.702	S	S	*	*			trans	-135.6	122.4	145	-81.6	172.3	171.3	0	0	104.6
402	R	30.3	Very low	31.3	Very low	224 Å²	224	139.1 Å²	139.1	85%	0.845	70%	0.699	S	S	*	*				58.2	124.9	67.7	-73.7	-165	-176.7	-139.8	2.4	111.3
403	E	31.3	Very low	31.6	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	69%	0.691	S	S	*	*			cis	-158.2	167	28.6	-103.1	158.2	-156.4	0	0	108.9
404	D	28.5	Very low	31	Very low	135 Å²	135	138 Å²	138	72%	0.722	71%	0.711	S	S	*	*			cis	-174.1	179.5	-22.8	-148.3	-13	0	0	0	110.2
405	V	28.6	Very low	30.6	Very low	117 Å²	117	140.2 Å²	140.2	71%	0.709	72%	0.719	S	S	*	*			trans	66.8	138.6	147	158.6	0	0	0	0	118.4
406	V	26.7	Very low	30.2	Very low	121 Å²	121	141.7 Å²	141.7	73%	0.733	72%	0.72	S	S	*	*			cis	-171	167.6	-2.3	129.8	0	0	0	0	107.3
407	H	25.5	Very low	29.6	Very low	162 Å²	162	140.5 Å²	140.5	75%	0.75	72%	0.716	S	S	*	*			cis	171.8	155.1	-39.2	-135.8	47.3	0	0	0	109
408	V	26.5	Very low	29.2	Very low	117 Å²	117	141.1 Å²	141.1	71%	0.709	72%	0.722	S	S	*	*			trans	69.8	138.3	149.8	164.6	0	0	0	0	117.9
409	H	25.9	Very low	28.7	Very low	158 Å²	158	139.7 Å²	139.7	73%	0.731	72%	0.722	S	S	*	*			cis	-159	-160.9	3.3	-132.2	-14.7	0	0	0	109.1
410	K	24.1	Very low	28.3	Very low	179 Å²	179	138.9 Å²	138.9	78%	0.778	72%	0.719	S	S	*	*			cis	-142.3	-135.3	7.5	-150.7	175.9	-179.5	-179.8	0	113.8
411	Y	22.1	Very low	28.2	Very low	193 Å²	193	143.9 Å²	143.9	76%	0.757	73%	0.73	S	S	*	*			trans	-165.6	134.6	-153.6	-165.7	-124.2	0	0	0	116.1
412	N	21.3	Very low	27.9	Very low	119 Å²	119	141.3 Å²	141.3	64%	0.636	73%	0.727	S	S	*	*			trans	62.3	173.4	149.3	-110	0.6	0	0	0	121.5
413	P	42.4	Very low	27.8	Very low	89 Å²	89	134.8 Å²	134.8	58%	0.578	72%	0.721	S	S	*	*			cis	-139.5	-170.2	-11.6	37.5	-16.9	0	0	0	116.6
414	T	26.5	Very low	27.7	Very low	123 Å²	123	136 Å²	136	76%	0.755	73%	0.727	S	S	*	*			trans	68.5	148.5	158.2	58.7	0	0	0	0	119
415	E	30.4	Very low	27.6	Very low	147 Å²	147	137 Å²	137	69%	0.687	73%	0.73	S	S	*	*			cis	-164.2	175.5	-15.9	-107.3	-161.7	151.8	0	0	106.2
416	K	28.6	Very low	27.5	Very low	148 Å²	148	135.4 Å²	135.4	64%	0.643	73%	0.729	S	S	*	*			cis	-160.3	-175.4	6.7	-131.3	-176.7	177.8	70.3	0	106.1
417	A	29.9	Very low	27.7	Very low	73 Å²	73	135.7 Å²	135.7	60%	0.603	73%	0.727	S	S	*	*			cis	-163.3	-153.9	-4.5	0	0	0	0	0	106.9
418	E	28.3	Very low	27.7	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	74%	0.736	S	S	*	*			cis	-163.6	170.9	-6.6	-151.4	76.5	-85.3	0	0	108
419	S	28.1	Very low	27.9	Very low	98 Å²	98	133.9 Å²	133.9	69%	0.685	73%	0.727	S	S	*	*			trans	52.9	98.6	162.7	-165.3	0	0	0	0	119.2
420	D	29.8	Very low	28.1	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	73%	0.727	S	S	*	*				55.6	126	82.8	-71.8	-23.1	0	0	0	114.9
421	L	25	Very low	28.3	Very low	164 Å²	164	134.1 Å²	134.1	86%	0.859	73%	0.728	S	S	*	*				-159.8	-162.6	52.6	-152.3	76.4	0	0	0	113.2
422	V	26.8	Very low	28.6	Very low	132 Å²	132	134.4 Å²	134.4	80%	0.8	73%	0.733	S	S	*	*			trans	-130.1	145.5	-168.4	177.9	0	0	0	0	112.1
423	A	27.5	Very low	28.9	Very low	86 Å²	86	134.9 Å²	134.9	71%	0.711	74%	0.736	S	S	*	*			trans	149.7	119.2	133.6	0	0	0	0	0	117.5
424	E	28.5	Very low	28.3	Very low	188 Å²	188	139.3 Å²	139.3	88%	0.879	75%	0.754	S	S	*	*				60.4	-163.3	128.6	-132.8	167.3	-172.7	0	0	122.5
425	I	26.5	Very low	28.3	Very low	155 Å²	155	137.4 Å²	137.4	80%	0.795	75%	0.751	S	S	*	*			trans	-129.3	157	-143.1	-59	170.5	0	0	0	112.8
426	A	27.5	Very low	28.1	Very low	84 Å²	84	140.8 Å²	140.8	69%	0.694	76%	0.757	S	S	*	*			trans	82.3	168.4	166.5	0	0	0	0	0	115.7
427	N	30.1	Very low	28	Very low	128 Å²	128	140.2 Å²	140.2	68%	0.684	76%	0.757	S	S	*	*			cis	-160.6	152.9	8.6	-145.5	-11.1	0	0	0	112.4	V429	N427-V429 HydrophobicContact CB-CG2 4.41Å; N427-V429 VanDerWaalsContact CG-CG2 3.47Å; N427-V429 WeakPolarHBondContact ND2-CG2 3.25Å; N427-V429 WeakPolarHBondContact OD1-CG2 3.41Å
428	V	27.1	Very low	27.9	Very low	153 Å²	153	141.9 Å²	141.9	93%	0.927	76%	0.759	S	S	*	*			trans	-141.8	137	156	-179.5	0	0	0	0	108.8
429	V	30.1	Very low	27.9	Very low	88 Å²	88	139.5 Å²	139.5	53%	0.533	76%	0.756	S	S	.	*			trans	-136.7	127.3	-147.6	152.3	0	0	0	0	115.2	N427	N427-V429 HydrophobicContact CB-CG2 4.41Å; N427-V429 VanDerWaalsContact CG-CG2 3.47Å; N427-V429 WeakPolarHBondContact ND2-CG2 3.25Å; N427-V429 WeakPolarHBondContact OD1-CG2 3.41Å
430	Q	30.7	Very low	27.9	Very low	157 Å²	157	140.8 Å²	140.8	73%	0.734	76%	0.755	S	S	*	*			trans	58.9	126.5	146	-66.6	177.1	23.7	0	0	123.5
431	K	28	Very low	27.9	Very low	184 Å²	184	141 Å²	141	80%	0.8	75%	0.751	S	S	*	*				48.4	126	128	-60.3	-176.9	174.4	-173.9	0	120.7
432	K	26.8	Very low	28.1	Very low	199 Å²	199	140 Å²	140	87%	0.865	75%	0.746	S	S	*	*				-153.8	166.1	110	-131.1	174.6	179.9	178.6	0	113.7
433	D	29	Very low	28.4	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	74%	0.737	S	S	*	*			trans	-91.2	153.1	-167.6	-30.8	-99.4	0	0	0	113.2
434	L	29.7	Very low	28.5	Very low	182 Å²	182	145.2 Å²	145.2	95%	0.953	74%	0.739	S	S	*	*				-176.4	169.8	118.9	-98.9	158.4	0	0	0	112
435	A	26.9	Very low	28.6	Very low	83 Å²	83	142.2 Å²	142.2	69%	0.686	73%	0.729	S	S	*	*			trans	-124	-175.3	-170.6	0	0	0	0	0	112.4
436	R	25.7	Very low	28.8	Very low	217 Å²	217	141.3 Å²	141.3	82%	0.819	73%	0.726	S	S	*	*			trans	84.3	154.6	176.1	-57.6	-164.1	91	160.8	10.7	115.6
437	E	26.9	Very low	29	Very low	136 Å²	136	140.8 Å²	140.8	64%	0.636	72%	0.722	S	S	*	*			cis	179.2	169	-34	-126.6	178.2	157	0	0	107.9
438	V	27.3	Very low	29	Very low	109 Å²	109	141.5 Å²	141.5	66%	0.661	72%	0.724	S	S	*	*			trans	76.9	96.1	143.2	166.6	0	0	0	0	121.1
439	T	27.5	Very low	29.1	Very low	110 Å²	110	141.1 Å²	141.1	68%	0.675	72%	0.716	S	S	*	*				78.3	133	123.5	66.4	0	0	0	0	126.6
440	N	27.7	Very low	29	Very low	125 Å²	125	141.4 Å²	141.4	67%	0.668	72%	0.718	S	S	*	*				88.6	128.9	126.6	-73.2	10	0	0	0	124.8
441	H	31.1	Very low	29	Very low	151 Å²	151	142.5 Å²	142.5	70%	0.699	72%	0.715	S	S	*	*			trans	57.9	160	142.4	-66.9	-45.9	0	0	0	120.2
442	D	28.3	Very low	28.9	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	71%	0.712	S	S	*	*			cis	-110.4	168	4	-76.5	-53.9	0	0	0	111.6
443	E	32.8	Very low	29.1	Very low	130 Å²	130	140 Å²	140	61%	0.607	71%	0.705	S	S	*	*			cis	109.2	139.9	21.5	-149.1	-162	-119	0	0	113.6
444	R	30	Very low	29	Very low	198 Å²	198	141 Å²	141	75%	0.747	71%	0.71	S	S	*	*			trans	70.1	154.8	-179.8	-62.3	-165.5	168.2	69.1	12.9	115.8
445	D	30.8	Very low	28.9	Very low	125 Å²	125	140.4 Å²	140.4	67%	0.668	70%	0.702	S	S	*	*			cis	-164.3	159	-9.9	-114.6	28.2	0	0	0	107.6
446	N	30.4	Very low	28.9	Very low	136 Å²	136	143.5 Å²	143.5	73%	0.727	70%	0.699	S	S	*	*			cis	-154.4	-143.2	-7.9	-151.7	-65.3	0	0	0	110.3
447	A	31.5	Very low	28.9	Very low	74 Å²	74	143.3 Å²	143.3	61%	0.612	71%	0.705	S	S	*	*			trans	-98.9	-169.6	-171.3	0	0	0	0	0	114.1
448	I	31.2	Very low	28.9	Very low	143 Å²	143	143.3 Å²	143.3	73%	0.733	71%	0.705	S	S	*	*			cis	-172.9	162.1	37.7	-149.8	170.6	0	0	0	114.5
449	L	28.1	Very low	28.8	Very low	144 Å²	144	147.6 Å²	147.6	75%	0.754	71%	0.709	S	S	*	*			trans	69	157.4	162.1	-62.5	176.9	0	0	0	121
450	V	29.3	Very low	28.7	Very low	95 Å²	95	149.6 Å²	149.6	58%	0.576	72%	0.715	S	S	*	*			cis	-169.8	145.6	-43.6	102	0	0	0	0	113.3
451	R	29.2	Very low	28.6	Very low	179 Å²	179	150.9 Å²	150.9	68%	0.675	72%	0.717	S	S	*	*			trans	66.4	158.9	160.5	-76.2	176.3	-175.1	87.7	-2.1	117
452	D	27.2	Very low	28.3	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	73%	0.725	S	S	*	*			cis	-132	-175.2	26.6	-149.1	2.6	0	0	0	117.7
453	R	29.5	Very low	28.1	Very low	191 Å²	191	148.6 Å²	148.6	72%	0.721	72%	0.724	S	S	*	*			trans	-119.4	167.8	-168.8	-56.1	168.4	171.1	176.8	-4.6	111.3
454	I	28.6	Very low	27.8	Very low	152 Å²	152	150.5 Å²	150.5	78%	0.779	74%	0.737	S	S	*	*			trans	154.8	130.2	140.1	-82.7	154.5	0	0	0	106.9
455	H	27.8	Very low	27.6	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.787	74%	0.744	S	S	*	*			cis	-144.6	165.2	-5.4	-132.1	-141.7	0	0	0	110.5
456	K	26	Very low	27.7	Very low	147 Å²	147	151.9 Å²	151.9	64%	0.639	75%	0.748	S	S	*	*			trans	-90	149.4	168	-79.5	-171	171.8	-169.7	0	110.9	H458	K456-H458 PolarHBondContact NZ-NE2 2.74Å
457	F	25.1	Very low	27.8	Very low	213 Å²	213	151.2 Å²	151.2	93%	0.934	75%	0.751	S	S	*	*			trans	-125.7	164.1	131.5	-106.5	-87	0	0	0	109.9
458	H	27.2	Very low	27.6	Very low	136 Å²	136	151.3 Å²	151.3	63%	0.63	76%	0.759	S	S	*	*			trans	-140.5	137.6	-161.2	-123.5	-41.6	0	0	0	111.3	K456	K456-H458 PolarHBondContact NZ-NE2 2.74Å
459	R	26	Very low	27.3	Very low	200 Å²	200	151.5 Å²	151.5	76%	0.755	76%	0.762	S	S	*	*			trans	66.6	116.9	135.8	-163.7	-163.3	-174.6	-173	3.2	117.7
460	L	25.3	Very low	27.2	Very low	151 Å²	151	154.9 Å²	154.9	79%	0.791	77%	0.765	S	S	*	*				-165.5	152.6	101.4	-98.8	168.8	0	0	0	112.3
461	E	25.9	Very low	27	Very low	153 Å²	153	159 Å²	159	72%	0.715	78%	0.778	S	S	*	*			trans	-91.2	160.2	179.4	-61.3	149.2	102	0	0	110.6
462	S	24.5	Very low	26.7	Very low	124 Å²	124	160.6 Å²	160.6	87%	0.867	79%	0.79	S	S	*	*			trans	-131.3	133.8	142.5	67.4	0	0	0	0	109.1
463	T	24.2	Very low	26.6	Very low	121 Å²	121	159.1 Å²	159.1	74%	0.742	79%	0.79	S	S	*	*			trans	-105.8	141.7	-176	42.7	0	0	0	0	110.1
464	L	25.4	Very low	26.4	Very low	169 Å²	169	156.2 Å²	156.2	89%	0.885	79%	0.793	S	S	*	*			trans	-159.7	122.9	155.4	-108.2	164.5	0	0	0	110.5
465	R	27.2	Very low	26.2	Very low	235 Å²	235	157.3 Å²	157.3	89%	0.887	80%	0.795	S	S	*	*			trans	-111.1	150.2	157.2	-72	-177.9	174.5	-179.3	-1.8	106.7
466	P	32.4	Very low	26.1	Very low	117 Å²	117	158.1 Å²	158.1	76%	0.76	80%	0.799	S	S	*	*				-146.1	-163	102.2	40.1	-22.1	0	0	0	111.5
467	P	32.3	Very low	26.1	Very low	122 Å²	122	157 Å²	157	79%	0.792	81%	0.807	S	S	*	*				-125.5	142.2	-78.6	37	-22.7	0	0	0	112.9
468	G	26.3	Very low	26.1	Very low	76 Å²	76	156.5 Å²	156.5	78%	0.784	80%	0.804	S	S	*	*			trans	-93.3	140.5	169.1	0	0	0	0	0	112.2
469	N	25.6	Very low	26.1	Very low	147 Å²	147	159.4 Å²	159.4	79%	0.786	82%	0.818	S	S	*	*			trans	-160.1	145.2	155	-133.2	-32.9	0	0	0	115.6
470	R	25.4	Very low	26.1	Very low	216 Å²	216	153.4 Å²	153.4	82%	0.815	82%	0.818	S	S	*	*			trans	74	110.7	160.5	-58.7	-174.4	178	-179.5	-3	120
471	H	25.9	Very low	26.5	Very low	182 Å²	182	156.1 Å²	156.1	84%	0.843	83%	0.827	S	S	*	*			trans	-51.1	147.8	151.4	-69.1	-100	0	0	0	112.6
472	F	22.8	Very low	26.5	Very low	212 Å²	212	151.7 Å²	151.7	93%	0.93	82%	0.822	S	S	*	*			trans	-128.9	147.4	133.3	-102.8	-91.9	0	0	0	108.2
473	S	25.2	Very low	26.6	Very low	108 Å²	108	151 Å²	151	76%	0.755	82%	0.817	S	S	*	*			trans	-107.1	139.7	169.8	50.2	0	0	0	0	109.6
474	V	25	Very low	26.7	Very low	130 Å²	130	156.8 Å²	156.8	79%	0.788	83%	0.826	S	S	*	*			trans	-166.6	130	151.2	133	0	0	0	0	110
475	Q	24.8	Very low	26.8	Very low	175 Å²	175	157 Å²	157	82%	0.818	82%	0.823	S	S	*	*			trans	19.6	137.3	155.9	-63	163.2	-28.5	0	0	122.5
476	Q	25.7	Very low	27.1	Very low	187 Å²	187	153.9 Å²	153.9	87%	0.874	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.1	148.1	158.5	-61.6	172.2	-55.2	0	0	112.5
477	P	25.4	Very low	27.1	Very low	124 Å²	124	157.6 Å²	157.6	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-93.8	164.1	141.4	-2.7	22.9	0	0	0	111.3
478	K	25	Very low	27.3	Very low	201 Å²	201	158 Å²	158	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-93.6	166.4	172.6	-70.4	-175.7	177.2	-176.8	0	111.7
479	H	28.1	Very low	27.7	Very low	197 Å²	197	161.3 Å²	161.3	91%	0.912	82%	0.819	S	S	*	*			trans	-17.6	130.7	169.3	-74.5	-92.1	0	0	0	117.5
480	G	24.9	Very low	28.4	Very low	74 Å²	74	157.1 Å²	157.1	76%	0.763	81%	0.81	S	S	*	*			trans	-135.9	146.9	145.2	0	0	0	0	0	108
481	E	35.7	Very low	30	Very low	208 Å²	208	153.1 Å²	153.1	97%	0.972	81%	0.805	S	S	*	*			trans	-75.3	140.2	179.1	-67.7	162.7	115.1	0	0	111
482	G	24.6	Very low	32.5	Very low	60 Å²	60	146.5 Å²	146.5	62%	0.619	77%	0.774	S	S	*	*			trans	-172.2	140.6	178.3	0	0	0	0	0	111
483	S	26.7	Very low	35.6	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	75%	0.745	S	S	*	*			trans	-68.2	136.7	178.3	-170.1	0	0	0	0	110.9	E485	S483-E485 PolarHBondContact O-N 3.28Å
484	W	25.9	Very low	38.8	Very low	243 Å²	243	134.7 Å²	134.7	92%	0.92	71%	0.71	S	S	*	*			trans	-94.4	69.6	171.4	-70.6	95.6	0	0	0	110.4	K486	W484-K486 PolarHBondContact O-N 3.5Å
485	E	28.1	Very low	42	Very low	175 Å²	175	131.5 Å²	131.5	82%	0.818	69%	0.688	S	S	*	*			trans	-64	128.8	157.9	-71.7	177.3	179.8	0	0	108.2	S483	S483-E485 PolarHBondContact O-N 3.28Å
486	K	33.6	Very low	45.1	Very low	169 Å²	169	124.5 Å²	124.5	74%	0.735	66%	0.656	S	S	*	*			trans	-82.8	136.9	171.2	-75.4	-179.4	178.9	174.5	0	109.2	W484 H488	W484-K486 PolarHBondContact O-N 3.5Å; K486-H488 PolarHBondContact O-N 2.9Å
487	E	31.6	Very low	48.2	Very low	195 Å²	195	117.5 Å²	117.5	91%	0.911	63%	0.626	S	S	*	*			trans	-65.9	98.4	164.6	-67.7	179.7	116.1	0	0	109.4
488	H	36.5	Very low	51	Low	129 Å²	129	114 Å²	114	60%	0.597	60%	0.602	S	S	*	*			trans	-84.6	127.1	167.2	-82.5	-111.5	0	0	0	109.7	K486	K486-H488 PolarHBondContact O-N 2.9Å
489	T	34.3	Very low	53.6	Low	146 Å²	146	111 Å²	111	90%	0.896	60%	0.595	S	S	*	*			trans	-95.7	91.2	179.8	52.5	0	0	0	0	111.2
490	G	41.7	Very low	56.4	Low	59 Å²	59	102.9 Å²	102.9	61%	0.608	56%	0.557	S	S	*	*	S	Bend	trans	169.8	142.6	171	0	0	0	0	0	113.5	F492	G490-F492 PolarHBondContact O-N 2.88Å
491	D	59	Low	58.7	Low	133 Å²	133	103.8 Å²	103.8	71%	0.711	55%	0.549	S	S	*	.	S	Bend	trans	-79.7	25	-177.6	-59.6	-63.4	0	0	0	114.1
492	F	77.1	Confident	60.1	Low	42 Å²	42	95.2 Å²	95.2	18%	0.184	52%	0.516	C	S	.	.			trans	-127.6	119	-172.4	174.2	-101.8	0	0	0	111	G490 I494 L736 V756 I765 D766 K787 S804	G490-F492 PolarHBondContact O-N 2.88Å; F492-I494 HydrophobicContact CE1-CG1 4.49Å; F492-I494 HydrophobicContact CE2-CD1 4.06Å; F492-I494 HydrophobicContact CZ-CD1 3.81Å; F492-I494 HydrophobicContact CZ-CG1 4.02Å; F492-L736 HydrophobicContact CZ-CD1 4.49Å; F492-V756 HydrophobicContact CE1-CB 4.25Å; F492-V756 HydrophobicContact CE1-CG1 3.89Å; F492-V756 HydrophobicContact CE1-CG2 4.4Å; F492-V756 HydrophobicContact CZ-CG1 4.13Å; F492-I765 HydrophobicContact CD1-CG2 3.85Å; F492-I765 HydrophobicContact CE1-CG2 4.34Å; F492-D766 HydrophobicContact CD1-CB 4.36Å; F492-D766 HydrophobicContact CE1-CB 4.25Å; F492-K787 HydrophobicContact CD2-CD 4.38Å; F492-K787 HydrophobicContact CE2-CD 3.58Å; F492-K787 HydrophobicContact CZ-CD 4.36Å; F492-S804 WeakPolarHBondContact CD2-OG 3.36Å; F492-S804 WeakPolarHBondContact CE2-OG 3.48Å
493	H	89.5	Confident	62.3	Low	70 Å²	70	93.7 Å²	93.7	32%	0.324	49%	0.494	S	S	.	.			trans	-141.1	157.6	173.4	-171.6	47.8	0	0	0	110.2	D495 D766 S804 T805	H493-D495 IonicContact CD2-OD1 3.65Å; H493-D495 IonicContact CD2-OD2 2.84Å; H493-D495 IonicContact NE2-OD1 3.36Å; H493-D766 VanDerWaalsContact CA-OD2 3.3Å; H493-D766 WeakPolarHBondContact CA-OD2 3.45Å; H493-D766 IonicContact CE1-OD1 3.06Å; H493-D766 IonicContact CE1-OD2 2.63Å; H493-D766 IonicContact CG-OD1 3.25Å; H493-D766 IonicContact CG-OD2 2.75Å; H493-D766 VanDerWaalsContact ND1-CG 3.3Å; H493-D766 IonicContact ND1-OD1 3.9Å; H493-D766 PolarHBondContact ND1-OD1 2.88Å; H493-D766 IonicContact ND1-OD2 3.12Å; H493-D766 PolarHBondContact ND1-OD2 2.87Å; H493-D766 VanDerWaalsContact ND1-OD2 3.08Å; H493-S804 VanDerWaalsContact O-CA 3.27Å; H493-S804 WeakPolarHBondContact O-CA 3.47Å; H493-S804 PolarHBondContact O-OG 2.58Å; H493-T805 PolarHBondContact O-N 2.82Å
494	I	92	Very high	64.4	Low	3 Å²	3	96.6 Å²	96.6	2%	0.015	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	107.1	176.1	-63.9	-60.4	0	0	0	109.9	F492 V756 D766 F768 V789 F802 T803	F492-I494 HydrophobicContact CE1-CG1 4.49Å; F492-I494 HydrophobicContact CE2-CD1 4.06Å; F492-I494 HydrophobicContact CZ-CD1 3.81Å; F492-I494 HydrophobicContact CZ-CG1 4.02Å; I494-V756 HydrophobicContact CG1-CG2 3.72Å; I494-D766 PolarHBondContact N-OD2 2.74Å; I494-F768 HydrophobicContact CB-CB 3.99Å; I494-F768 HydrophobicContact CB-CD1 4.22Å; I494-F768 HydrophobicContact CB-CG 4.24Å; I494-F768 HydrophobicContact CG2-CB 3.77Å; I494-F768 HydrophobicContact CG2-CD1 3.96Å; I494-F768 HydrophobicContact CG2-CD2 4.17Å; I494-F768 HydrophobicContact CG2-CG 3.72Å; I494-F768 WeakPolarHBondContact O-CB 3.3Å; I494-V789 HydrophobicContact CG2-CG2 4.45Å; I494-F802 HydrophobicContact CG2-CB 3.4Å; I494-F802 VanDerWaalsContact CG2-CB 3.4Å; I494-F802 HydrophobicContact CG2-CG 4.17Å; I494-T803 WeakPolarHBondContact CA-O 3.39Å
495	D	90.9	Very high	66.8	Low	63 Å²	63	88 Å²	88	34%	0.337	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	149.9	-179.3	-82.8	-71.4	0	0	0	112.2	H493 V497 F802 T803 T805	H493-D495 IonicContact CD2-OD1 3.65Å; H493-D495 IonicContact CD2-OD2 2.84Å; H493-D495 IonicContact NE2-OD1 3.36Å; D495-V497 PolarHBondContact O-N 2.78Å; D495-F802 CarbonylContact O-C 3.53Å; D495-F802 WeakPolarHBondContact O-CA 3.28Å; D495-F802 WeakPolarHBondContact O-CB 3.4Å; D495-T803 PolarHBondContact N-O 2.71Å; D495-T803 PolarHBondContact O-N 3.34Å; D495-T805 HydrophobicContact CB-CG2 3.97Å; D495-T805 WeakPolarHBondContact OD2-CB 3.3Å; D495-T805 WeakPolarHBondContact OD2-CG2 3.16Å; D495-T805 PolarHBondContact OD2-OG1 3.45Å
496	E	91.8	Very high	69.5	Low	28 Å²	28	89.7 Å²	89.7	13%	0.131	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	129.1	170	-173.8	-173.1	-174	0	0	110.2	V498 V771 R772 F802	E496-V498 HydrophobicContact CB-CG1 4.38Å; E496-V498 VanDerWaalsContact CD-CG1 3.5Å; E496-V498 HydrophobicContact CG-CG1 3.97Å; E496-V498 PolarHBondContact O-N 3.03Å; E496-V498 WeakPolarHBondContact OE2-CG1 3.36Å; E496-V771 HydrophobicContact CB-CG2 4.23Å; E496-V771 PolarHBondContact OE2-N 3.44Å; E496-R772 PolarHBondContact OE2-N 3.41Å; E496-F802 HydrophobicContact CB-CD1 4.06Å; E496-F802 HydrophobicContact CB-CE1 4.04Å; E496-F802 HydrophobicContact CG-CE1 4.39Å
497	V	90.2	Very high	72.2	Confident	40 Å²	40	82.6 Å²	82.6	24%	0.242	45%	0.447	C	S	.	.			trans	-79.2	70.7	172.5	-170.7	0	0	0	0	108.6	D495 D499 W500 K801 T803	D495-V497 PolarHBondContact O-N 2.78Å; V497-D499 PolarHBondContact O-N 3.23Å; V497-W500 HydrophobicContact CB-CB 4.3Å; V497-W500 HydrophobicContact CG1-CB 4.02Å; V497-W500 WeakPolarHBondContact O-CB 3.26Å; V497-W500 PolarHBondContact O-N 3.43Å; V497-K801 HydrophobicContact CB-CB 4.32Å; V497-K801 HydrophobicContact CB-CD 4.06Å; V497-K801 HydrophobicContact CB-CG 4.04Å; V497-K801 HydrophobicContact CG1-CD 4.31Å; V497-K801 HydrophobicContact CG2-CD 4.08Å; V497-K801 HydrophobicContact CG2-CG 3.88Å; V497-K801 PolarHBondContact N-O 3.34Å; V497-T803 HydrophobicContact CG2-CG2 3.63Å
498	V	83.1	Confident	75.1	Confident	50 Å²	50	73.3 Å²	73.3	30%	0.303	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.5	-170.8	-101.7	0	0	0	0	114.4	E496 R772	E496-V498 HydrophobicContact CB-CG1 4.38Å; E496-V498 VanDerWaalsContact CD-CG1 3.5Å; E496-V498 HydrophobicContact CG-CG1 3.97Å; E496-V498 PolarHBondContact O-N 3.03Å; E496-V498 WeakPolarHBondContact OE2-CG1 3.36Å; V498-R772 HydrophobicContact CG1-CG 3.77Å; V498-R772 PolarHBondContact O-NH1 3.12Å; V498-R772 PolarHBondContact O-NH2 2.82Å
499	D	80.9	Confident	77.9	Confident	139 Å²	139	67.9 Å²	67.9	74%	0.743	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	11.4	177.1	-63.4	-22.5	0	0	0	113.4	V497 R772	V497-D499 PolarHBondContact O-N 3.23Å; D499-R772 IonicContact OD1-NH2 3.48Å; D499-R772 PolarHBondContact OD1-NH2 2.8Å; D499-R772 VanDerWaalsContact OD1-NH2 3.12Å
500	W	86.1	Confident	80.9	Confident	25 Å²	25	60.9 Å²	60.9	10%	0.095	34%	0.336	C	S	.	.	S	Bend	trans	-61.9	130	159.9	-165.2	58.9	0	0	0	107.8	V497 G502 L521 P560 A563 F790 V799 K801	V497-W500 HydrophobicContact CB-CB 4.3Å; V497-W500 HydrophobicContact CG1-CB 4.02Å; V497-W500 WeakPolarHBondContact O-CB 3.26Å; V497-W500 PolarHBondContact O-N 3.43Å; W500-G502 PolarHBondContact O-N 3.28Å; W500-L521 HydrophobicContact CH2-CD2 4.04Å; W500-L521 HydrophobicContact CZ2-CD2 4.2Å; W500-P560 PolarHBondContact NE1-O 2.91Å; W500-A563 HydrophobicContact CH2-CB 4.4Å; W500-A563 HydrophobicContact CZ2-CB 3.78Å; W500-F790 HydrophobicContact CH2-CD1 4.42Å; W500-F790 HydrophobicContact CH2-CE1 4.24Å; W500-F790 AromaticContact CZ2-CE1 3.92Å; W500-F790 HydrophobicContact CZ2-CE1 3.92Å; W500-V799 HydrophobicContact CH2-CB 4.36Å; W500-V799 HydrophobicContact CH2-CG1 4.29Å; W500-V799 HydrophobicContact CZ3-CB 4.39Å; W500-V799 HydrophobicContact CZ3-CG1 4.46Å; W500-K801 HydrophobicContact CB-CD 4.32Å; W500-K801 HydrophobicContact CD2-CB 3.81Å; W500-K801 HydrophobicContact CD2-CD 3.93Å; W500-K801 HydrophobicContact CD2-CG 4.48Å; W500-K801 HydrophobicContact CE3-CB 3.71Å; W500-K801 HydrophobicContact CG-CB 4.2Å; W500-K801 HydrophobicContact CG-CD 3.75Å; W500-K801 HydrophobicContact CZ3-CB 4.15Å
501	P	72.8	Confident	83.5	Confident	94 Å²	94	58.1 Å²	58.1	61%	0.61	31%	0.307	S	S	*	.			trans	-68.6	-4.4	-167.4	26	-34.7	0	0	0	114.6	N562 A563	P501-N562 WeakPolarHBondContact CG-O 3.38Å; P501-A563 HydrophobicContact CG-CB 4.17Å
502	G	65.7	Low	85.3	Confident	27 Å²	27	51.8 Å²	51.8	28%	0.278	27%	0.273	S	S	.	.			trans	68.7	-173.2	-170.9	0	0	0	0	0	111.7	W500 A563	W500-G502 PolarHBondContact O-N 3.28Å; G502-A563 WeakPolarHBondContact O-CB 3.47Å
503	L	71.6	Confident	86.3	Confident	29 Å²	29	50.1 Å²	50.1	15%	0.152	27%	0.266	C	S	.	.			trans	-102.4	109.6	-179.7	-77.5	158.5	0	0	0	110.3	L505 L507 L558 A563 V799	L503-L505 HydrophobicContact CD2-CD1 4.04Å; L503-L505 PolarHBondContact O-N 2.96Å; L503-L507 HydrophobicContact CB-CD1 4.34Å; L503-L507 HydrophobicContact CD1-CD1 3.81Å; L503-L558 HydrophobicContact CD1-CD1 3.74Å; L503-L558 HydrophobicContact CD2-CD1 3.5Å; L503-L558 VanDerWaalsContact CD2-CD1 3.5Å; L503-L558 HydrophobicContact CD2-CD2 3.6Å; L503-L558 HydrophobicContact CD2-CG 4.17Å; L503-L558 HydrophobicContact CG-CD1 4.21Å; L503-A563 HydrophobicContact CD2-CB 4.17Å; L503-A563 HydrophobicContact CG-CB 4.46Å; L503-V799 HydrophobicContact CD1-CB 4.28Å; L503-V799 HydrophobicContact CD1-CG2 4.12Å
504	D	70.3	Confident	86.7	Confident	169 Å²	169	47 Å²	47	90%	0.904	25%	0.253	S	S	*	.			trans	-76.2	45.5	168.4	-165.6	26.6	0	0	0	110.8
505	L	76.9	Confident	86.9	Confident	62 Å²	62	48.4 Å²	48.4	33%	0.325	26%	0.26	S	S	.	.	S	Bend	trans	-134.6	136.4	-178.2	-62.2	177.8	0	0	0	107.9	L503 L507 L556 L558 L565	L503-L505 HydrophobicContact CD2-CD1 4.04Å; L503-L505 PolarHBondContact O-N 2.96Å; L505-L507 HydrophobicContact CB-CD2 4.42Å; L505-L507 PolarHBondContact O-N 2.76Å; L505-L556 HydrophobicContact CD1-CD1 4.05Å; L505-L558 HydrophobicContact CD1-CD2 4.19Å; L505-L565 HydrophobicContact CD1-CB 4.36Å; L505-L565 HydrophobicContact CD1-CD1 4.23Å; L505-L565 HydrophobicContact CD1-CD2 4.48Å
506	K	83.9	Confident	87.1	Confident	211 Å²	211	46 Å²	46	92%	0.917	25%	0.247	S	C	*	.			trans	-77.6	92.4	175.3	-71	-170.6	175.4	-171.8	0	110.1
507	L	89.5	Confident	87.1	Confident	20 Å²	20	48.1 Å²	48.1	11%	0.105	26%	0.264	C	S	.	.			trans	-75.1	153.5	176.1	-56.9	177.5	0	0	0	112	L503 L505 V510 L556	L503-L507 HydrophobicContact CB-CD1 4.34Å; L503-L507 HydrophobicContact CD1-CD1 3.81Å; L505-L507 HydrophobicContact CB-CD2 4.42Å; L505-L507 PolarHBondContact O-N 2.76Å; L507-V510 HydrophobicContact CB-CG2 4.08Å; L507-V510 HydrophobicContact CD1-CG2 3.77Å; L507-V510 HydrophobicContact CG-CG2 4.45Å; L507-L556 HydrophobicContact CD2-CD1 3.59Å
508	G	92.8	Very high	87.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.			trans	-83.1	-157.8	165.4	0	0	0	0	0	111.7	V510 H525 G527 R797	G508-V510 PolarHBondContact O-N 2.87Å; G508-H525 PolarHBondContact N-ND1 2.83Å; G508-G527 WeakPolarHBondContact CA-O 3.35Å; G508-R797 WeakPolarHBondContact O-CB 3.4Å; G508-R797 WeakPolarHBondContact O-CG 3.2Å
509	Q	96.2	Very high	87.8	Confident	15 Å²	15	54.4 Å²	54.4	7%	0.07	29%	0.29	C	S	.	.			trans	-61.2	118	159.1	-64.8	-176.2	-40.4	0	0	108.3	S511 H525 R526 W531 V794	Q509-S511 PolarHBondContact O-N 3.13Å; Q509-H525 VanDerWaalsContact O-CA 3.26Å; Q509-H525 WeakPolarHBondContact O-CA 3.08Å; Q509-H525 WeakPolarHBondContact O-CB 3.43Å; Q509-R526 HydrophobicContact CB-CB 4.32Å; Q509-R526 HydrophobicContact CB-CG 4.28Å; Q509-R526 PolarHBondContact O-N 2.79Å; Q509-R526 VanDerWaalsContact OE1-CD 3.27Å; Q509-W531 PolarHBondContact NE2-O 2.83Å; Q509-V794 HydrophobicContact CB-CB 3.93Å; Q509-V794 HydrophobicContact CB-CG1 4.01Å; Q509-V794 HydrophobicContact CG-CB 4.36Å; Q509-V794 WeakPolarHBondContact CG-O 3.35Å
510	V	96.8	Very high	88.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.8	179.1	178.4	0	0	0	0	109.2	L507 G508 L513 V523 H525 V794 V799	L507-V510 HydrophobicContact CB-CG2 4.08Å; L507-V510 HydrophobicContact CD1-CG2 3.77Å; L507-V510 HydrophobicContact CG-CG2 4.45Å; G508-V510 PolarHBondContact O-N 2.87Å; V510-L513 HydrophobicContact CG1-CD2 4.05Å; V510-V523 HydrophobicContact CG1-CG1 3.67Å; V510-V523 HydrophobicContact CG2-CG1 4.33Å; V510-H525 HydrophobicContact CG2-CB 4.3Å; V510-V794 WeakPolarHBondContact O-CG1 3.26Å; V510-V799 HydrophobicContact CG1-CG2 4.11Å
511	S	96.2	Very high	89	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-23.1	-167.2	61.1	0	0	0	0	115.1	Q509 F524 P577 H578 H779	Q509-S511 PolarHBondContact O-N 3.13Å; S511-F524 PolarHBondContact N-O 3.08Å; S511-P577 PolarHBondContact OG-O 2.96Å; S511-H578 CarbonylContact C-O 3.59Å; S511-H578 VanDerWaalsContact CB-O 3.3Å; S511-H578 WeakPolarHBondContact CB-O 3.2Å; S511-H578 WeakPolarHBondContact OG-CA 3.46Å; S511-H578 PolarHBondContact OG-O 2.93Å; S511-H779 PolarHBondContact O-CE1 2.79Å; S511-H779 PolarHBondContact O-ND1 3.46Å
512	G	97.5	Very high	90.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	147.5	-178.2	0	0	0	0	0	112.6	F524 H578 D780	G512-F524 PolarHBondContact N-O 2.7Å; G512-F524 PolarHBondContact O-N 2.72Å; G512-H578 PolarHBondContact N-O 2.84Å; G512-D780 VanDerWaalsContact CA-OD2 3.24Å; G512-D780 WeakPolarHBondContact CA-OD2 3.41Å
513	L	98.3	Very high	91.7	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142	179.6	-64.2	-175.1	0	0	0	111	V510 L521 V522 V523 D780 V782 F790 G792 V799	V510-L513 HydrophobicContact CG1-CD2 4.05Å; L513-L521 HydrophobicContact CD2-CD1 4.3Å; L513-V522 WeakPolarHBondContact CA-O 3.3Å; L513-V523 HydrophobicContact CD2-CB 4.18Å; L513-V523 HydrophobicContact CD2-CG1 4.06Å; L513-V523 HydrophobicContact CD2-CG2 3.83Å; L513-D780 PolarHBondContact N-OD2 3.4Å; L513-V782 HydrophobicContact CB-CB 4.28Å; L513-V782 HydrophobicContact CB-CG1 3.74Å; L513-V782 HydrophobicContact CD1-CG1 4.33Å; L513-F790 HydrophobicContact CD1-CB 3.91Å; L513-G792 VanDerWaalsContact CD1-N 3.3Å; L513-V799 HydrophobicContact CD1-CG1 4.22Å; L513-V799 HydrophobicContact CD2-CG2 3.99Å
514	A	97.8	Very high	92.9	Very high	6 Å²	6	40.8 Å²	40.8	5%	0.05	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	172	168.6	0	0	0	0	0	111.5	V522 L580 I582	A514-V522 HydrophobicContact CB-CB 4.44Å; A514-V522 PolarHBondContact N-O 2.77Å; A514-V522 PolarHBondContact O-N 3.38Å; A514-L580 HydrophobicContact CB-CD2 3.88Å; A514-L580 HydrophobicContact CB-CG 3.8Å; A514-I582 HydrophobicContact CB-CD1 3.83Å; A514-I582 HydrophobicContact CB-CG1 3.87Å
515	L	96.4	Very high	94.2	Very high	31 Å²	31	33.1 Å²	33.1	16%	0.162	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.2	166.2	-64.6	170.7	0	0	0	108.5	N520 V782 F790	L515-N520 WeakPolarHBondContact CA-O 3.2Å; L515-V782 HydrophobicContact CD1-CG2 4.11Å; L515-V782 HydrophobicContact CG-CG1 4.37Å; L515-V782 HydrophobicContact CG-CG2 3.9Å; L515-F790 HydrophobicContact CD2-CD2 4.45Å; L515-F790 HydrophobicContact CD2-CE2 4.31Å
516	D	94.6	Very high	95.2	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.07	15%	0.152	C	C	.	.			trans	-79.6	170.9	171.7	75.7	7	0	0	0	111.2	E518 N519 N520 V522 I582	D516-E518 PolarHBondContact O-N 3.21Å; D516-E518 VanDerWaalsContact O-N 3.09Å; D516-E518 WeakPolarHBondContact OD1-CA 3.41Å; D516-E518 WeakPolarHBondContact OD1-CB 3.39Å; D516-E518 PolarHBondContact OD1-N 3.2Å; D516-E518 VanDerWaalsContact OD1-N 3.09Å; D516-N519 WeakPolarHBondContact O-CA 3.29Å; D516-N519 PolarHBondContact O-N 3.42Å; D516-N519 PolarHBondContact OD1-N 2.91Å; D516-N519 VanDerWaalsContact OD1-N 3.11Å; D516-N520 PolarHBondContact N-O 3.47Å; D516-N520 VanDerWaalsContact N-O 3.11Å; D516-N520 WeakPolarHBondContact OD1-CB 3.37Å; D516-N520 PolarHBondContact OD1-N 2.82Å; D516-N520 PolarHBondContact OD1-ND2 2.78Å; D516-N520 VanDerWaalsContact OD1-ND2 3.15Å; D516-N520 WeakPolarHBondContact OD2-CB 3.29Å; D516-N520 PolarHBondContact OD2-ND2 3.28Å; D516-V522 HydrophobicContact CB-CG2 4.15Å; D516-I582 HydrophobicContact CB-CD1 4.04Å
517	P	92.4	Very high	95.7	Very high	73 Å²	73	20.8 Å²	20.8	47%	0.474	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.5	-179.9	-25.3	36.5	0	0	0	114.5	N519	P517-N519 VanDerWaalsContact C-N 3.34Å
518	E	92.9	Very high	95.8	Very high	140 Å²	140	24.8 Å²	24.8	65%	0.654	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.5	175.6	-69.8	69.2	-151.7	0	0	113.2	D516 N520	D516-E518 PolarHBondContact O-N 3.21Å; D516-E518 VanDerWaalsContact O-N 3.09Å; D516-E518 WeakPolarHBondContact OD1-CA 3.41Å; D516-E518 WeakPolarHBondContact OD1-CB 3.39Å; D516-E518 PolarHBondContact OD1-N 3.2Å; D516-E518 VanDerWaalsContact OD1-N 3.09Å; E518-N520 VanDerWaalsContact C-N 3.31Å; E518-N520 WeakPolarHBondContact CB-ND2 3.32Å
519	N	93.8	Very high	95.9	Very high	82 Å²	82	25.4 Å²	25.4	44%	0.439	14%	0.136	S	C	.	.			trans	61.9	26.3	-173.4	-68.3	-91.4	0	0	0	114.9	D516 P517 P560	D516-N519 WeakPolarHBondContact O-CA 3.29Å; D516-N519 PolarHBondContact O-N 3.42Å; D516-N519 PolarHBondContact OD1-N 2.91Å; D516-N519 VanDerWaalsContact OD1-N 3.11Å; P517-N519 VanDerWaalsContact C-N 3.34Å; N519-P560 WeakPolarHBondContact O-CG 3.35Å
520	N	95.8	Very high	95.7	Very high	27 Å²	27	27 Å²	27	14%	0.144	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-74	145.1	165.9	-50.8	-67	0	0	0	110.4	L515 D516 E518 V522 V557 L558 L566	L515-N520 WeakPolarHBondContact CA-O 3.2Å; D516-N520 PolarHBondContact N-O 3.47Å; D516-N520 VanDerWaalsContact N-O 3.11Å; D516-N520 WeakPolarHBondContact OD1-CB 3.37Å; D516-N520 PolarHBondContact OD1-N 2.82Å; D516-N520 PolarHBondContact OD1-ND2 2.78Å; D516-N520 VanDerWaalsContact OD1-ND2 3.15Å; D516-N520 WeakPolarHBondContact OD2-CB 3.29Å; D516-N520 PolarHBondContact OD2-ND2 3.28Å; E518-N520 VanDerWaalsContact C-N 3.31Å; E518-N520 WeakPolarHBondContact CB-ND2 3.32Å; N520-V522 PolarHBondContact O-N 2.91Å; N520-V557 HydrophobicContact CB-CG1 3.6Å; N520-L558 WeakPolarHBondContact CB-O 3.49Å; N520-L566 HydrophobicContact CB-CD1 4.16Å; N520-L566 WeakPolarHBondContact OD1-CD1 3.28Å
521	L	96.9	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.5	176.1	172.1	68.1	0	0	0	109.5	W500 L513 V523 L558 V782 F790 V799	W500-L521 HydrophobicContact CH2-CD2 4.04Å; W500-L521 HydrophobicContact CZ2-CD2 4.2Å; L513-L521 HydrophobicContact CD2-CD1 4.3Å; L521-V523 HydrophobicContact CD2-CG2 4.09Å; L521-V523 HydrophobicContact CG-CG2 3.95Å; L521-L558 HydrophobicContact CB-CB 4.29Å; L521-L558 HydrophobicContact CD2-CD1 3.9Å; L521-L558 HydrophobicContact CG-CD1 4.31Å; L521-L558 PolarHBondContact N-O 2.94Å; L521-L558 WeakPolarHBondContact O-CB 3.36Å; L521-L558 PolarHBondContact O-N 3.32Å; L521-V782 HydrophobicContact CD1-CG1 4.33Å; L521-F790 HydrophobicContact CB-CZ 4.5Å; L521-F790 HydrophobicContact CD1-CB 3.93Å; L521-F790 HydrophobicContact CD1-CD1 4.18Å; L521-F790 HydrophobicContact CD1-CD2 3.93Å; L521-F790 HydrophobicContact CD1-CE2 4.47Å; L521-F790 HydrophobicContact CD1-CG 3.76Å; L521-F790 HydrophobicContact CD2-CD1 3.71Å; L521-F790 HydrophobicContact CD2-CE1 3.85Å; L521-F790 HydrophobicContact CD2-CG 4.17Å; L521-F790 HydrophobicContact CD2-CZ 4.45Å; L521-F790 HydrophobicContact CG-CD1 4.48Å; L521-V799 HydrophobicContact CD2-CG1 4.1Å
522	V	97.4	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.9	173.6	-173.7	0	0	0	0	109.2	L513 A514 D516 N520 I555 L556 V557 L580 I582 Y588	L513-V522 WeakPolarHBondContact CA-O 3.3Å; A514-V522 HydrophobicContact CB-CB 4.44Å; A514-V522 PolarHBondContact N-O 2.77Å; A514-V522 PolarHBondContact O-N 3.38Å; D516-V522 HydrophobicContact CB-CG2 4.15Å; N520-V522 PolarHBondContact O-N 2.91Å; V522-I555 HydrophobicContact CG1-CG2 3.76Å; V522-L556 CarbonylContact C-O 3.33Å; V522-L556 WeakPolarHBondContact CA-O 3.28Å; V522-V557 HydrophobicContact CB-CG2 4.47Å; V522-V557 HydrophobicContact CG1-CG2 4.16Å; V522-V557 HydrophobicContact CG2-CG1 4.19Å; V522-V557 HydrophobicContact CG2-CG2 3.85Å; V522-L580 HydrophobicContact CB-CD2 4.05Å; V522-L580 HydrophobicContact CG1-CD1 4.5Å; V522-L580 HydrophobicContact CG1-CD2 3.59Å; V522-I582 HydrophobicContact CB-CD1 4.03Å; V522-I582 HydrophobicContact CG1-CD1 4.36Å; V522-I582 HydrophobicContact CG2-CD1 3.54Å; V522-Y588 HydrophobicContact CG1-CD1 4Å; V522-Y588 HydrophobicContact CG1-CE1 3.7Å; V522-Y588 HydrophobicContact CG2-CE1 4.17Å
523	V	97.7	Very high	94.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.7	-176.9	-176.7	0	0	0	0	109.7	V510 L513 L521 I555 L556 L558 V799	V510-V523 HydrophobicContact CG1-CG1 3.67Å; V510-V523 HydrophobicContact CG2-CG1 4.33Å; L513-V523 HydrophobicContact CD2-CB 4.18Å; L513-V523 HydrophobicContact CD2-CG1 4.06Å; L513-V523 HydrophobicContact CD2-CG2 3.83Å; L521-V523 HydrophobicContact CD2-CG2 4.09Å; L521-V523 HydrophobicContact CG-CG2 3.95Å; V523-I555 WeakPolarHBondContact O-CA 3.28Å; V523-L556 HydrophobicContact CB-CB 4.46Å; V523-L556 PolarHBondContact N-O 3.29Å; V523-L556 PolarHBondContact O-N 3.43Å; V523-L558 HydrophobicContact CG2-CD1 3.47Å; V523-L558 VanDerWaalsContact CG2-CD1 3.47Å; V523-L558 HydrophobicContact CG2-CG 4.42Å; V523-V799 HydrophobicContact CG1-CG2 4.17Å; V523-V799 HydrophobicContact CG2-CG2 4Å
524	F	97.9	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.1	172.4	-163.4	-149.9	0	0	0	109.6	S511 G512 T554 I555 F574 P577 G579 L580 V590	S511-F524 PolarHBondContact N-O 3.08Å; G512-F524 PolarHBondContact N-O 2.7Å; G512-F524 PolarHBondContact O-N 2.72Å; F524-T554 WeakPolarHBondContact CA-O 3.42Å; F524-I555 HydrophobicContact CD2-CD1 4.37Å; F524-I555 HydrophobicContact CD2-CG1 3.51Å; F524-I555 HydrophobicContact CE2-CD1 4.26Å; F524-I555 HydrophobicContact CE2-CG1 3.77Å; F524-I555 HydrophobicContact CG-CG1 4.48Å; F524-F574 HydrophobicContact CE2-CD2 4.02Å; F524-F574 AromaticContact CE2-CE2 3.97Å; F524-F574 HydrophobicContact CE2-CE2 3.97Å; F524-F574 HydrophobicContact CE2-CG 4.33Å; F524-F574 HydrophobicContact CE2-CZ 4.28Å; F524-F574 HydrophobicContact CZ-CD1 4.1Å; F524-F574 HydrophobicContact CZ-CD2 4.33Å; F524-F574 HydrophobicContact CZ-CE1 4.09Å; F524-F574 HydrophobicContact CZ-CE2 4.29Å; F524-F574 HydrophobicContact CZ-CG 4.23Å; F524-F574 HydrophobicContact CZ-CZ 4.18Å; F524-P577 HydrophobicContact CD1-CB 3.83Å; F524-P577 HydrophobicContact CD2-CB 4.03Å; F524-P577 HydrophobicContact CD2-CG 4.36Å; F524-P577 HydrophobicContact CE1-CB 3.51Å; F524-P577 HydrophobicContact CE1-CG 4.34Å; F524-P577 HydrophobicContact CE2-CB 3.73Å; F524-P577 HydrophobicContact CE2-CG 3.79Å; F524-P577 HydrophobicContact CG-CB 4.08Å; F524-P577 HydrophobicContact CZ-CB 3.46Å; F524-P577 VanDerWaalsContact CZ-CB 3.46Å; F524-P577 HydrophobicContact CZ-CG 3.78Å; F524-G579 WeakPolarHBondContact CD1-O 3.42Å; F524-G579 WeakPolarHBondContact CE1-O 3.46Å; F524-L580 HydrophobicContact CB-CB 3.93Å; F524-L580 HydrophobicContact CB-CD2 3.93Å; F524-L580 HydrophobicContact CB-CG 4.44Å; F524-L580 HydrophobicContact CD1-CB 4.15Å; F524-L580 HydrophobicContact CG-CB 4.39Å; F524-V590 HydrophobicContact CD1-CB 4.3Å; F524-V590 HydrophobicContact CD1-CG1 3.96Å; F524-V590 HydrophobicContact CE1-CB 3.57Å; F524-V590 HydrophobicContact CE1-CG1 3.7Å; F524-V590 HydrophobicContact CE1-CG2 4.45Å; F524-V590 HydrophobicContact CE2-CG1 4.27Å; F524-V590 HydrophobicContact CG-CG1 4.37Å; F524-V590 HydrophobicContact CZ-CB 3.7Å; F524-V590 HydrophobicContact CZ-CG1 3.86Å; F524-V590 HydrophobicContact CZ-CG2 4.09Å
525	H	97.3	Very high	92.9	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.3	-178.7	72.7	96.1	0	0	0	112.9	G508 Q509 V510 G527 N553 T554	G508-H525 PolarHBondContact N-ND1 2.83Å; Q509-H525 VanDerWaalsContact O-CA 3.26Å; Q509-H525 WeakPolarHBondContact O-CA 3.08Å; Q509-H525 WeakPolarHBondContact O-CB 3.43Å; V510-H525 HydrophobicContact CG2-CB 4.3Å; H525-G527 PolarHBondContact ND1-N 2.98Å; H525-G527 VanDerWaalsContact ND1-N 3.19Å; H525-G527 PolarHBondContact O-N 3.49Å; H525-N553 PolarHBondContact NE2-O 2.85Å; H525-T554 PolarHBondContact CD2-O 3.36Å; H525-T554 VanDerWaalsContact CD2-O 3.24Å; H525-T554 PolarHBondContact N-O 3.02Å; H525-T554 WeakPolarHBondContact O-CB 3.19Å; H525-T554 WeakPolarHBondContact O-CG2 3.06Å
526	R	96.5	Very high	92.7	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.023	22%	0.219	C	C	.	.			trans	-76.1	16.5	-174.8	-58.1	179.5	-175.8	140.7	7.3	114.9	Q509 D528 H529 I550 P577 H578 H779	Q509-R526 HydrophobicContact CB-CB 4.32Å; Q509-R526 HydrophobicContact CB-CG 4.28Å; Q509-R526 PolarHBondContact O-N 2.79Å; Q509-R526 VanDerWaalsContact OE1-CD 3.27Å; R526-D528 PolarHBondContact O-N 3.24Å; R526-H529 WeakPolarHBondContact CB-O 3.41Å; R526-H529 WeakPolarHBondContact O-CA 3.48Å; R526-H529 VanDerWaalsContact O-CB 3.31Å; R526-H529 WeakPolarHBondContact O-CB 3.38Å; R526-H529 PolarHBondContact O-N 3.12Å; R526-I550 WeakPolarHBondContact O-CD1 3.33Å; R526-P577 HydrophobicContact CG-CB 3.98Å; R526-P577 HydrophobicContact CG-CG 4.36Å; R526-P577 PolarHBondContact NE-O 2.92Å; R526-P577 PolarHBondContact NH2-O 3.2Å; R526-H578 PolarHBondContact NH2-CD2 2.76Å; R526-H779 PolarHBondContact NH2-NE2 3.11Å
527	G	94.1	Very high	92.2	Very high	7 Å²	7	44.5 Å²	44.5	7%	0.072	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-129.9	-179	0	0	0	0	0	113.6	G508 H525 Q552	G508-G527 WeakPolarHBondContact CA-O 3.35Å; H525-G527 PolarHBondContact ND1-N 2.98Å; H525-G527 VanDerWaalsContact ND1-N 3.19Å; H525-G527 PolarHBondContact O-N 3.49Å; G527-Q552 VanDerWaalsContact C-OE1 3.3Å
528	D	92.4	Very high	92	Very high	104 Å²	104	46.5 Å²	46.5	56%	0.556	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.1	168.8	56.2	-14.2	0	0	0	114	R526 Q552	R526-D528 PolarHBondContact O-N 3.24Å; D528-Q552 PolarHBondContact OD1-NE2 3.05Å; D528-Q552 PolarHBondContact OD1-OE1 3.14Å; D528-Q552 PolarHBondContact OD2-NE2 3.32Å
529	H	94.3	Very high	91.7	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.065	25%	0.247	C	C	.	.			trans	-70.9	148.6	172.3	-68.1	-158.1	0	0	0	111.2	R526 G548 I550 Y575 L576	R526-H529 WeakPolarHBondContact CB-O 3.41Å; R526-H529 WeakPolarHBondContact O-CA 3.48Å; R526-H529 VanDerWaalsContact O-CB 3.31Å; R526-H529 WeakPolarHBondContact O-CB 3.38Å; R526-H529 PolarHBondContact O-N 3.12Å; H529-G548 PolarHBondContact CE1-O 3.03Å; H529-G548 VanDerWaalsContact CE1-O 3.23Å; H529-I550 HydrophobicContact CB-CD1 4.29Å; H529-I550 HydrophobicContact CB-CG1 4.09Å; H529-Y575 PolarHBondContact ND1-O 2.86Å; H529-L576 HydrophobicContact CB-CD2 4.18Å
530	V	92.4	Very high	91.7	Very high	49 Å²	49	47.1 Å²	47.1	30%	0.297	24%	0.243	S	C	.	.			trans	-129.5	126.8	180	179.4	0	0	0	0	107.7	D532 S535	V530-D532 HydrophobicContact CG1-CB 4.43Å; V530-S535 PolarHBondContact O-OG 3.43Å
531	W	93.5	Very high	91.5	Very high	47 Å²	47	47.6 Å²	47.6	18%	0.178	25%	0.246	C	C	.	.			trans	-80.1	119.6	163.2	-167.8	-15.3	0	0	0	108.2	Q509 F536 L576 H578 V593 Y646	Q509-W531 PolarHBondContact NE2-O 2.83Å; W531-F536 HydrophobicContact CD2-CE2 4.19Å; W531-F536 AromaticContact CE2-CE2 3.61Å; W531-F536 HydrophobicContact CZ2-CD2 4.33Å; W531-F536 AromaticContact CZ2-CE2 3.84Å; W531-F536 HydrophobicContact CZ2-CE2 3.84Å; W531-F536 AromaticContact NE1-CD2 3.67Å; W531-F536 AromaticContact NE1-CE2 3.61Å; W531-L576 HydrophobicContact CB-CD1 4.12Å; W531-L576 HydrophobicContact CB-CD2 4.15Å; W531-L576 HydrophobicContact CD2-CD1 4.26Å; W531-L576 HydrophobicContact CG-CD1 4.03Å; W531-H578 AromaticContact CZ3-CD2 3.72Å; W531-V593 HydrophobicContact CD2-CG2 4.31Å; W531-V593 HydrophobicContact CE3-CG2 3.55Å; W531-V593 HydrophobicContact CH2-CB 3.82Å; W531-V593 HydrophobicContact CH2-CG1 3.78Å; W531-V593 HydrophobicContact CH2-CG2 3.58Å; W531-V593 HydrophobicContact CZ2-CG2 4.32Å; W531-V593 HydrophobicContact CZ3-CB 3.8Å; W531-V593 HydrophobicContact CZ3-CG1 3.68Å; W531-V593 HydrophobicContact CZ3-CG2 3.15Å; W531-Y646 HydrophobicContact CH2-CD1 4.28Å; W531-Y646 AromaticContact CH2-CD2 3.54Å; W531-Y646 HydrophobicContact CH2-CD2 3.54Å; W531-Y646 HydrophobicContact CH2-CE1 4.09Å; W531-Y646 AromaticContact CH2-CE2 3.28Å; W531-Y646 HydrophobicContact CH2-CE2 3.28Å; W531-Y646 HydrophobicContact CH2-CG 4.01Å; W531-Y646 AromaticContact CH2-CZ 3.57Å; W531-Y646 HydrophobicContact CZ2-CD1 4.4Å; W531-Y646 HydrophobicContact CZ2-CD2 4.36Å; W531-Y646 HydrophobicContact CZ2-CE1 4.32Å; W531-Y646 HydrophobicContact CZ2-CE2 4.25Å; W531-Y646 HydrophobicContact CZ2-CG 4.4Å; W531-Y646 HydrophobicContact CZ3-CD2 4.37Å; W531-Y646 AromaticContact CZ3-CE2 3.74Å; W531-Y646 HydrophobicContact CZ3-CE2 3.74Å
532	D	85	Confident	91.3	Very high	61 Å²	61	47.6 Å²	47.6	33%	0.326	25%	0.246	S	C	.	.			trans	-136.6	-175.8	178.3	72.5	-15.3	0	0	0	112.3	V530 N534 S535	V530-D532 HydrophobicContact CG1-CB 4.43Å; D532-N534 PolarHBondContact O-N 3.02Å; D532-N534 VanDerWaalsContact O-N 3.14Å; D532-N534 PolarHBondContact OD1-N 3.03Å; D532-N534 PolarHBondContact OD2-ND2 2.82Å; D532-S535 PolarHBondContact N-OG 3.44Å; D532-S535 PolarHBondContact O-N 3.45Å; D532-S535 PolarHBondContact O-OG 3.35Å; D532-S535 PolarHBondContact OD1-N 2.91Å; D532-S535 PolarHBondContact OD1-OG 2.83Å
533	E	78.9	Confident	91.1	Very high	154 Å²	154	52.2 Å²	52.2	72%	0.72	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20	175.6	-63.8	-179.3	172.5	0	0	113.6	K129	K129-E533 IonicContact NZ-OE1 2.7Å; K129-E533 IonicContact NZ-OE2 2.86Å; K129-E533 PolarHBondContact NZ-OE2 2.77Å
534	N	81.8	Confident	90.7	Very high	78 Å²	78	55 Å²	55	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-2.9	-173.7	-48.5	-72.8	0	0	0	113.2	D532 F536	D532-N534 PolarHBondContact O-N 3.02Å; D532-N534 VanDerWaalsContact O-N 3.14Å; D532-N534 PolarHBondContact OD1-N 3.03Å; D532-N534 PolarHBondContact OD2-ND2 2.82Å; N534-F536 VanDerWaalsContact C-N 3.33Å; N534-F536 PolarHBondContact O-N 3.23Å
535	S	88.6	Confident	90.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-71.2	-27.5	-172	-66.5	0	0	0	0	113.3	V530 D532 Y542 Q543	V530-S535 PolarHBondContact O-OG 3.43Å; D532-S535 PolarHBondContact N-OG 3.44Å; D532-S535 PolarHBondContact O-N 3.45Å; D532-S535 PolarHBondContact O-OG 3.35Å; D532-S535 PolarHBondContact OD1-N 2.91Å; D532-S535 PolarHBondContact OD1-OG 2.83Å; S535-Y542 WeakPolarHBondContact O-CA 3.18Å; S535-Y542 WeakPolarHBondContact O-CD2 3.45Å; S535-Q543 PolarHBondContact O-N 2.72Å
536	F	91.8	Very high	89.6	Confident	27 Å²	27	62.9 Å²	62.9	12%	0.118	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-137.4	153.7	-176.1	-63.1	-91.1	0	0	0	110.9	W531 N534 F540 V541 Y542 L576 V593 A594 H596 Q627	W531-F536 HydrophobicContact CD2-CE2 4.19Å; W531-F536 AromaticContact CE2-CE2 3.61Å; W531-F536 HydrophobicContact CZ2-CD2 4.33Å; W531-F536 AromaticContact CZ2-CE2 3.84Å; W531-F536 HydrophobicContact CZ2-CE2 3.84Å; W531-F536 AromaticContact NE1-CD2 3.67Å; W531-F536 AromaticContact NE1-CE2 3.61Å; N534-F536 VanDerWaalsContact C-N 3.33Å; N534-F536 PolarHBondContact O-N 3.23Å; F536-F540 WeakPolarHBondContact CD1-O 3.46Å; F536-V541 WeakPolarHBondContact CA-O 3.38Å; F536-Y542 HydrophobicContact CD1-CD2 4.41Å; F536-Y542 HydrophobicContact CE1-CD2 4.05Å; F536-Y542 HydrophobicContact CE1-CG 4.4Å; F536-Y542 HydrophobicContact CE2-CD2 4.32Å; F536-Y542 AromaticContact CZ-CD2 3.99Å; F536-Y542 HydrophobicContact CZ-CD2 3.99Å; F536-L576 HydrophobicContact CE2-CD1 3.58Å; F536-L576 HydrophobicContact CZ-CD1 3.84Å; F536-V593 WeakPolarHBondContact CE1-O 3.47Å; F536-V593 HydrophobicContact CE2-CG2 4.35Å; F536-V593 HydrophobicContact CZ-CB 4.23Å; F536-V593 HydrophobicContact CZ-CG2 3.91Å; F536-V593 WeakPolarHBondContact CZ-O 3.31Å; F536-A594 HydrophobicContact CE1-CB 4.49Å; F536-A594 HydrophobicContact CZ-CB 4.22Å; F536-H596 AromaticContact CE1-CE1 3.9Å; F536-Q627 VanDerWaalsContact CD1-NE2 3.28Å; F536-Q627 VanDerWaalsContact CD2-NE2 3.26Å; F536-Q627 HydrophobicContact CE1-CG 4.13Å; F536-Q627 VanDerWaalsContact CE1-NE2 3.29Å; F536-Q627 VanDerWaalsContact CE2-NE2 3.28Å; F536-Q627 VanDerWaalsContact CG-NE2 3.26Å; F536-Q627 HydrophobicContact CZ-CG 4.33Å; F536-Q627 VanDerWaalsContact CZ-NE2 3.29Å
537	D	85.5	Confident	89.2	Confident	56 Å²	56	67.2 Å²	67.2	30%	0.299	36%	0.363	S	S	.	.			trans	-89.8	-178.5	169	67.8	14.7	0	0	0	112.5	K539 F540 V541 Q543	D537-K539 PolarHBondContact O-N 3.29Å; D537-K539 VanDerWaalsContact O-N 3.07Å; D537-K539 WeakPolarHBondContact OD1-CA 3.01Å; D537-K539 WeakPolarHBondContact OD1-CB 3.04Å; D537-K539 PolarHBondContact OD1-N 2.69Å; D537-F540 WeakPolarHBondContact O-CA 3.5Å; D537-F540 PolarHBondContact O-N 3.28Å; D537-F540 PolarHBondContact OD1-N 3.47Å; D537-V541 PolarHBondContact N-O 2.94Å; D537-V541 VanDerWaalsContact N-O 3.14Å; D537-V541 WeakPolarHBondContact OD1-CB 3.39Å; D537-V541 PolarHBondContact OD1-N 2.72Å; D537-Q543 HydrophobicContact CB-CG 4.4Å; D537-Q543 VanDerWaalsContact CG-NE2 3.27Å; D537-Q543 PolarHBondContact OD2-NE2 2.73Å; D537-Q543 VanDerWaalsContact OD2-NE2 3.09Å
538	S	86.9	Confident	89.1	Confident	116 Å²	116	67.8 Å²	67.8	81%	0.811	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	0.2	176.7	56.8	0	0	0	0	115.1
539	K	87.9	Confident	89.3	Confident	154 Å²	154	64.7 Å²	64.7	67%	0.67	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	12	170.1	-63.1	176.6	-177.6	173.6	0	111.5	D537 V541 P618	D537-K539 PolarHBondContact O-N 3.29Å; D537-K539 VanDerWaalsContact O-N 3.07Å; D537-K539 WeakPolarHBondContact OD1-CA 3.01Å; D537-K539 WeakPolarHBondContact OD1-CB 3.04Å; D537-K539 PolarHBondContact OD1-N 2.69Å; K539-V541 HydrophobicContact CB-CG2 3.93Å; K539-V541 PolarHBondContact O-N 3.39Å; K539-P618 WeakPolarHBondContact O-CG 3.18Å
540	F	92.4	Very high	89.4	Confident	81 Å²	81	64 Å²	64	36%	0.355	35%	0.352	S	S	.	.			trans	59.3	24.3	-177.4	-46.5	-79.6	0	0	0	113.2	F536 D537 H596 P618 C647	F536-F540 WeakPolarHBondContact CD1-O 3.46Å; D537-F540 WeakPolarHBondContact O-CA 3.5Å; D537-F540 PolarHBondContact O-N 3.28Å; D537-F540 PolarHBondContact OD1-N 3.47Å; F540-H596 PolarHBondContact O-CE1 3.27Å; F540-H596 PolarHBondContact O-NE2 3.37Å; F540-P618 HydrophobicContact CB-CB 4.43Å; F540-C647 HydrophobicContact CB-CB 4.28Å; F540-C647 WeakPolarHBondContact CB-SG 3.12Å; F540-C647 HydrophobicContact CD1-CB 3.52Å; F540-C647 HydrophobicContact CD2-CB 3.34Å; F540-C647 HydrophobicContact CE1-CB 3.57Å; F540-C647 HydrophobicContact CE2-CB 3.39Å; F540-C647 HydrophobicContact CG-CB 3.41Å; F540-C647 VanDerWaalsContact CG-CB 3.41Å; F540-C647 WeakPolarHBondContact CG-SG 3.43Å; F540-C647 HydrophobicContact CZ-CB 3.5Å
541	V	91.5	Very high	89.5	Confident	37 Å²	37	68 Å²	68	22%	0.224	37%	0.367	C	S	.	.			trans	-81.7	120.2	176.2	-179.7	0	0	0	0	107.6	F536 D537 K539 Q543 P618	F536-V541 WeakPolarHBondContact CA-O 3.38Å; D537-V541 PolarHBondContact N-O 2.94Å; D537-V541 VanDerWaalsContact N-O 3.14Å; D537-V541 WeakPolarHBondContact OD1-CB 3.39Å; D537-V541 PolarHBondContact OD1-N 2.72Å; K539-V541 HydrophobicContact CB-CG2 3.93Å; K539-V541 PolarHBondContact O-N 3.39Å; V541-Q543 PolarHBondContact O-N 2.6Å; V541-Q543 PolarHBondContact O-NE2 3.36Å; V541-P618 HydrophobicContact CG2-CG 4.19Å
542	Y	94.1	Very high	89.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-60.4	129.2	176.7	-178.7	-111.4	0	0	0	111.2	S535 F536 Q544 R545 Y575 L576 A594 L616	S535-Y542 WeakPolarHBondContact O-CA 3.18Å; S535-Y542 WeakPolarHBondContact O-CD2 3.45Å; F536-Y542 HydrophobicContact CD1-CD2 4.41Å; F536-Y542 HydrophobicContact CE1-CD2 4.05Å; F536-Y542 HydrophobicContact CE1-CG 4.4Å; F536-Y542 HydrophobicContact CE2-CD2 4.32Å; F536-Y542 AromaticContact CZ-CD2 3.99Å; F536-Y542 HydrophobicContact CZ-CD2 3.99Å; Y542-Q544 HydrophobicContact CE1-CB 3.99Å; Y542-Q544 HydrophobicContact CE2-CB 4.28Å; Y542-R545 HydrophobicContact CD1-CG 4Å; Y542-R545 WeakPolarHBondContact O-CG 3.46Å; Y542-R545 PolarHBondContact O-NE 3.46Å; Y542-Y575 HydrophobicContact CD1-CD1 4.3Å; Y542-Y575 AromaticContact CE1-CD1 3.53Å; Y542-Y575 HydrophobicContact CE1-CD1 3.53Å; Y542-Y575 HydrophobicContact CE1-CE1 4.23Å; Y542-Y575 HydrophobicContact CE1-CG 4.26Å; Y542-L576 HydrophobicContact CD2-CD1 3.98Å; Y542-L576 HydrophobicContact CE2-CD1 3.55Å; Y542-L576 HydrophobicContact CE2-CG 3.84Å; Y542-A594 HydrophobicContact CD1-CB 3.88Å; Y542-A594 HydrophobicContact CD2-CB 3.49Å; Y542-A594 VanDerWaalsContact CD2-CB 3.49Å; Y542-A594 HydrophobicContact CE1-CB 4.22Å; Y542-A594 HydrophobicContact CE2-CB 3.87Å; Y542-A594 HydrophobicContact CG-CB 3.48Å; Y542-A594 VanDerWaalsContact CG-CB 3.48Å; Y542-L616 HydrophobicContact CD1-CD2 4.36Å
543	Q	93.1	Very high	90	Very high	96 Å²	96	68.3 Å²	68.3	45%	0.449	37%	0.37	S	S	.	.	S	Bend	trans	-92.2	-38.5	-170.5	-63.3	-60.2	-61.2	0	0	113.3	S535 D537 V541 R545	S535-Q543 PolarHBondContact O-N 2.72Å; D537-Q543 HydrophobicContact CB-CG 4.4Å; D537-Q543 VanDerWaalsContact CG-NE2 3.27Å; D537-Q543 PolarHBondContact OD2-NE2 2.73Å; D537-Q543 VanDerWaalsContact OD2-NE2 3.09Å; V541-Q543 PolarHBondContact O-N 2.6Å; V541-Q543 PolarHBondContact O-NE2 3.36Å; Q543-R545 PolarHBondContact O-N 3Å
544	Q	89	Confident	90.8	Very high	58 Å²	58	61 Å²	61	27%	0.271	34%	0.336	S	S	.	.			trans	-77.6	27	-170.3	-55.7	170	14.3	0	0	113.8	Y542 G546 V547	Y542-Q544 HydrophobicContact CE1-CB 3.99Å; Y542-Q544 HydrophobicContact CE2-CB 4.28Å; Q544-G546 PolarHBondContact O-N 3.47Å; Q544-V547 HydrophobicContact CB-CG2 4.23Å; Q544-V547 WeakPolarHBondContact O-CB 3.43Å; Q544-V547 WeakPolarHBondContact O-CG2 3.27Å; Q544-V547 PolarHBondContact O-N 2.78Å
545	R	86.8	Confident	91.4	Very high	91 Å²	91	57.3 Å²	57.3	34%	0.343	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-52.7	-29.6	-177.3	-61	175.1	-174.2	-132.8	-20.4	113.8	Y542 Q543 V547 G548 L616	Y542-R545 HydrophobicContact CD1-CG 4Å; Y542-R545 WeakPolarHBondContact O-CG 3.46Å; Y542-R545 PolarHBondContact O-NE 3.46Å; Q543-R545 PolarHBondContact O-N 3Å; R545-V547 VanDerWaalsContact C-N 3.25Å; R545-V547 PolarHBondContact O-N 3.21Å; R545-G548 PolarHBondContact O-N 2.89Å; R545-L616 HydrophobicContact CG-CD1 4.5Å; R545-L616 HydrophobicContact CG-CD2 4.33Å; R545-L616 PolarHBondContact NH2-O 2.91Å
546	G	84.9	Confident	91.8	Very high	84 Å²	84	57.9 Å²	57.9	87%	0.866	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-70.1	-14	-179.9	0	0	0	0	0	115.2	Q544 G548	Q544-G546 PolarHBondContact O-N 3.47Å; G546-G548 VanDerWaalsContact C-N 3.32Å
547	V	88.1	Confident	92	Very high	97 Å²	97	56.6 Å²	56.6	59%	0.588	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-72.5	-28.3	175.4	-178.6	0	0	0	0	111.4	Q544 R545	Q544-V547 HydrophobicContact CB-CG2 4.23Å; Q544-V547 WeakPolarHBondContact O-CB 3.43Å; Q544-V547 WeakPolarHBondContact O-CG2 3.27Å; Q544-V547 PolarHBondContact O-N 2.78Å; R545-V547 VanDerWaalsContact C-N 3.25Å; R545-V547 PolarHBondContact O-N 3.21Å
548	G	93.3	Very high	92.4	Very high	19 Å²	19	54 Å²	54	20%	0.196	30%	0.3	C	S	.	.			trans	82.6	179.4	-168.2	0	0	0	0	0	112.4	H529 R545 G546 Y575	H529-G548 PolarHBondContact CE1-O 3.03Å; H529-G548 VanDerWaalsContact CE1-O 3.23Å; R545-G548 PolarHBondContact O-N 2.89Å; G546-G548 VanDerWaalsContact C-N 3.32Å; G548-Y575 VanDerWaalsContact C-CZ 3.48Å; G548-Y575 WeakPolarHBondContact O-CD1 3.45Å; G548-Y575 WeakPolarHBondContact O-CE1 3.44Å
549	P	95.8	Very high	92.8	Very high	40 Å²	40	50.7 Å²	50.7	26%	0.26	27%	0.273	S	S	.	.	S	Bend	trans	-76.7	156	177.1	33	-35	0	0	0	111.7	E551 N572 F574 Y575	P549-E551 PolarHBondContact O-N 2.76Å; P549-N572 WeakPolarHBondContact CB-O 3.36Å; P549-N572 HydrophobicContact CG-CB 4.33Å; P549-N572 VanDerWaalsContact CG-O 3.31Å; P549-N572 WeakPolarHBondContact CG-O 3.06Å; P549-F574 CarbonylContact C-O 3.56Å; P549-F574 VanDerWaalsContact CA-O 3.28Å; P549-F574 WeakPolarHBondContact CA-O 3Å; P549-F574 WeakPolarHBondContact CB-O 3.36Å; P549-Y575 HydrophobicContact CB-CD2 4.09Å; P549-Y575 HydrophobicContact CB-CE2 3.83Å
550	I	96.2	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.249	C	C	.	.			trans	-53.3	120.9	-176.5	-63.9	160.4	0	0	0	111	R526 H529 Q552 T554 N572 F574 P577	R526-I550 WeakPolarHBondContact O-CD1 3.33Å; H529-I550 HydrophobicContact CB-CD1 4.29Å; H529-I550 HydrophobicContact CB-CG1 4.09Å; I550-Q552 VanDerWaalsContact C-N 3.3Å; I550-Q552 PolarHBondContact O-N 3.42Å; I550-T554 HydrophobicContact CB-CG2 4Å; I550-T554 HydrophobicContact CD1-CG2 3.85Å; I550-T554 HydrophobicContact CG2-CG2 3.62Å; I550-N572 WeakPolarHBondContact O-CA 3.37Å; I550-N572 PolarHBondContact O-N 2.73Å; I550-F574 HydrophobicContact CD1-CB 4.35Å; I550-F574 PolarHBondContact N-O 3.04Å; I550-P577 VanDerWaalsContact CD1-CD 3.44Å; I550-P577 HydrophobicContact CD1-CG 3.89Å
551	E	94.8	Very high	92.9	Very high	133 Å²	133	44.9 Å²	44.9	62%	0.621	26%	0.261	S	S	*	.	S	Bend	trans	-78.5	-6.4	-175.6	-84	-126.6	-150.1	0	0	114.4	P549 K571	P549-E551 PolarHBondContact O-N 2.76Å; E551-K571 VanDerWaalsContact O-CD 3.25Å; E551-K571 WeakPolarHBondContact O-CD 3.49Å; E551-K571 WeakPolarHBondContact O-CE 3.42Å; E551-K571 WeakPolarHBondContact O-CG 3.44Å; E551-K571 PolarHBondContact O-NZ 2.69Å; E551-K571 IonicContact OE2-NZ 3.82Å; E551-K571 PolarHBondContact OE2-NZ 2.92Å
552	Q	94.1	Very high	92.8	Very high	62 Å²	62	46.6 Å²	46.6	29%	0.29	27%	0.269	S	S	.	.	S	Bend	trans	-103.6	162.1	177.3	-40.7	87.7	52.9	0	0	111	G527 D528 I550 T554 K571	G527-Q552 VanDerWaalsContact C-OE1 3.3Å; D528-Q552 PolarHBondContact OD1-NE2 3.05Å; D528-Q552 PolarHBondContact OD1-OE1 3.14Å; D528-Q552 PolarHBondContact OD2-NE2 3.32Å; I550-Q552 VanDerWaalsContact C-N 3.3Å; I550-Q552 PolarHBondContact O-N 3.42Å; Q552-T554 PolarHBondContact O-N 2.98Å; Q552-K571 VanDerWaalsContact O-CA 3.31Å; Q552-K571 WeakPolarHBondContact O-CA 3.4Å
553	N	94.3	Very high	92.7	Very high	52 Å²	52	47 Å²	47	28%	0.278	27%	0.273	S	S	.	.			trans	-63.9	124.4	166	-78.1	-19.6	0	0	0	108.7	H525 L556 S568 M569 K571	H525-N553 PolarHBondContact NE2-O 2.85Å; N553-L556 HydrophobicContact CB-CD2 4.43Å; N553-S568 VanDerWaalsContact ND2-C 3.35Å; N553-S568 WeakPolarHBondContact ND2-CB 3.31Å; N553-S568 PolarHBondContact ND2-O 3.38Å; N553-S568 PolarHBondContact ND2-OG 2.61Å; N553-M569 CarbonylContact C-O 3.48Å; N553-M569 VanDerWaalsContact CA-O 3.24Å; N553-M569 WeakPolarHBondContact CA-O 3.38Å; N553-M569 VanDerWaalsContact CB-O 3.24Å; N553-M569 WeakPolarHBondContact CB-O 3.12Å; N553-K571 WeakPolarHBondContact OD1-CB 3.28Å; N553-K571 PolarHBondContact OD1-N 3.36Å
554	T	95.4	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.			trans	-95.1	-21.3	-178.2	52.2	0	0	0	0	113	F524 H525 I550 Q552 M569 F574 P577	F524-T554 WeakPolarHBondContact CA-O 3.42Å; H525-T554 PolarHBondContact CD2-O 3.36Å; H525-T554 VanDerWaalsContact CD2-O 3.24Å; H525-T554 PolarHBondContact N-O 3.02Å; H525-T554 WeakPolarHBondContact O-CB 3.19Å; H525-T554 WeakPolarHBondContact O-CG2 3.06Å; I550-T554 HydrophobicContact CB-CG2 4Å; I550-T554 HydrophobicContact CD1-CG2 3.85Å; I550-T554 HydrophobicContact CG2-CG2 3.62Å; Q552-T554 PolarHBondContact O-N 2.98Å; T554-M569 PolarHBondContact N-O 3.03Å; T554-F574 HydrophobicContact CG2-CD2 4.42Å; T554-F574 VanDerWaalsContact OG1-CD2 3.25Å; T554-F574 WeakPolarHBondContact OG1-CD2 3.4Å; T554-P577 HydrophobicContact CG2-CG 4.21Å
555	I	95.9	Very high	92.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119	177.3	-61.2	171	0	0	0	107.5	V522 V523 F524 S568 M569 F574 Y588 V590 L601	V522-I555 HydrophobicContact CG1-CG2 3.76Å; V523-I555 WeakPolarHBondContact O-CA 3.28Å; F524-I555 HydrophobicContact CD2-CD1 4.37Å; F524-I555 HydrophobicContact CD2-CG1 3.51Å; F524-I555 HydrophobicContact CE2-CD1 4.26Å; F524-I555 HydrophobicContact CE2-CG1 3.77Å; F524-I555 HydrophobicContact CG-CG1 4.48Å; I555-S568 CarbonylContact O-C 3.59Å; I555-S568 WeakPolarHBondContact O-CA 3.36Å; I555-S568 WeakPolarHBondContact O-CB 3.25Å; I555-M569 HydrophobicContact CB-CG 3.69Å; I555-M569 HydrophobicContact CD1-CG 4.09Å; I555-M569 HydrophobicContact CD1-SD 4.31Å; I555-M569 HydrophobicContact CG1-CG 4.43Å; I555-M569 HydrophobicContact CG2-CG 3.88Å; I555-M569 HydrophobicContact CG2-SD 4.48Å; I555-M569 PolarHBondContact N-O 2.85Å; I555-M569 PolarHBondContact O-N 2.91Å; I555-F574 HydrophobicContact CD1-CE2 4.35Å; I555-Y588 HydrophobicContact CG2-CD1 3.95Å; I555-Y588 HydrophobicContact CG2-CE1 3.98Å; I555-V590 HydrophobicContact CD1-CG1 4.32Å; I555-L601 HydrophobicContact CD1-CD1 3.79Å
556	L	95.6	Very high	93.2	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.068	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.2	-179.5	-51.1	179.1	0	0	0	109.3	L505 L507 V522 V523 N553 L558 L565	L505-L556 HydrophobicContact CD1-CD1 4.05Å; L507-L556 HydrophobicContact CD2-CD1 3.59Å; V522-L556 CarbonylContact C-O 3.33Å; V522-L556 WeakPolarHBondContact CA-O 3.28Å; V523-L556 HydrophobicContact CB-CB 4.46Å; V523-L556 PolarHBondContact N-O 3.29Å; V523-L556 PolarHBondContact O-N 3.43Å; N553-L556 HydrophobicContact CB-CD2 4.43Å; L556-L558 HydrophobicContact CB-CD2 4.46Å; L556-L565 HydrophobicContact CB-CD1 3.95Å; L556-L565 HydrophobicContact CD2-CD1 4.28Å
557	V	95.6	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.9	175.2	-174.9	0	0	0	0	110	N520 V522 L566 H567 Y588	N520-V557 HydrophobicContact CB-CG1 3.6Å; V522-V557 HydrophobicContact CB-CG2 4.47Å; V522-V557 HydrophobicContact CG1-CG2 4.16Å; V522-V557 HydrophobicContact CG2-CG1 4.19Å; V522-V557 HydrophobicContact CG2-CG2 3.85Å; V557-L566 PolarHBondContact O-N 2.84Å; V557-H567 VanDerWaalsContact CB-CE1 3.47Å; V557-H567 WeakPolarHBondContact CB-CE1 3.46Å; V557-H567 VanDerWaalsContact CG2-NE2 3.26Å; V557-H567 WeakPolarHBondContact CG2-NE2 3.33Å; V557-H567 PolarHBondContact N-O 3.06Å; V557-Y588 HydrophobicContact CG2-CE1 4.2Å
558	L	95.3	Very high	93.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.6	-164	-53.4	170.3	0	0	0	110.4	L503 L505 N520 L521 V523 L556 Q564 L565	L503-L558 HydrophobicContact CD1-CD1 3.74Å; L503-L558 HydrophobicContact CD2-CD1 3.5Å; L503-L558 VanDerWaalsContact CD2-CD1 3.5Å; L503-L558 HydrophobicContact CD2-CD2 3.6Å; L503-L558 HydrophobicContact CD2-CG 4.17Å; L503-L558 HydrophobicContact CG-CD1 4.21Å; L505-L558 HydrophobicContact CD1-CD2 4.19Å; N520-L558 WeakPolarHBondContact CB-O 3.49Å; L521-L558 HydrophobicContact CB-CB 4.29Å; L521-L558 HydrophobicContact CD2-CD1 3.9Å; L521-L558 HydrophobicContact CG-CD1 4.31Å; L521-L558 PolarHBondContact N-O 2.94Å; L521-L558 WeakPolarHBondContact O-CB 3.36Å; L521-L558 PolarHBondContact O-N 3.32Å; V523-L558 HydrophobicContact CG2-CD1 3.47Å; V523-L558 VanDerWaalsContact CG2-CD1 3.47Å; V523-L558 HydrophobicContact CG2-CG 4.42Å; L556-L558 HydrophobicContact CB-CD2 4.46Å; L558-Q564 WeakPolarHBondContact CA-O 3.4Å; L558-L565 HydrophobicContact CD2-CB 4.35Å; L558-L565 HydrophobicContact CD2-CD1 3.82Å
559	N	94.3	Very high	93.8	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	24%	0.243	S	C	.	.			trans	-66.2	127.2	168.4	178.8	-81.9	0	0	0	110	S561 N562 A563 Q564 L566	N559-S561 PolarHBondContact O-N 3.28Å; N559-S561 WeakPolarHBondContact OD1-CB 3.39Å; N559-S561 PolarHBondContact OD1-N 3Å; N559-N562 VanDerWaalsContact CB-OD1 3.28Å; N559-N562 WeakPolarHBondContact CB-OD1 3.36Å; N559-N562 PolarHBondContact OD1-N 2.03Å; N559-N562 PolarHBondContact OD1-OD1 3.4Å; N559-A563 WeakPolarHBondContact O-CA 3.41Å; N559-A563 PolarHBondContact O-N 3.16Å; N559-Q564 PolarHBondContact N-O 2.89Å; N559-L566 HydrophobicContact CB-CD1 4.32Å; N559-L566 HydrophobicContact CB-CD2 4.28Å; N559-L566 HydrophobicContact CB-CG 4.41Å
560	P	92.9	Very high	93.7	Very high	25 Å²	25	43.8 Å²	43.8	16%	0.162	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.6	-170.6	30.4	-37.9	0	0	0	112.8	W500 N519 F790 K801	W500-P560 PolarHBondContact NE1-O 2.91Å; N519-P560 WeakPolarHBondContact O-CG 3.35Å; P560-F790 HydrophobicContact CB-CE2 4.35Å; P560-F790 HydrophobicContact CB-CZ 3.77Å; P560-K801 PolarHBondContact O-NZ 3.03Å
561	S	90.4	Very high	93.6	Very high	88 Å²	88	47.9 Å²	47.9	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-38.6	-175.8	-63.2	0	0	0	0	113.1	N559	N559-S561 PolarHBondContact O-N 3.28Å; N559-S561 WeakPolarHBondContact OD1-CB 3.39Å; N559-S561 PolarHBondContact OD1-N 3Å
562	N	89.6	Confident	93.5	Very high	72 Å²	72	45.5 Å²	45.5	39%	0.385	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	6.7	-175.4	74.8	-6	0	0	0	114.8	P501 N559 Q564	P501-N562 WeakPolarHBondContact CG-O 3.38Å; N559-N562 VanDerWaalsContact CB-OD1 3.28Å; N559-N562 WeakPolarHBondContact CB-OD1 3.36Å; N559-N562 PolarHBondContact OD1-N 2.03Å; N559-N562 PolarHBondContact OD1-OD1 3.4Å; N562-Q564 PolarHBondContact ND2-OE1 2.92Å; N562-Q564 PolarHBondContact O-N 3.3Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.36Å; N562-Q564 PolarHBondContact OD1-N 3.18Å
563	A	90.9	Very high	93.5	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	24%	0.242	C	C	.	.			trans	57.2	15.3	-178.2	0	0	0	0	0	115.4	W500 P501 G502 L503 N559 L565	W500-A563 HydrophobicContact CH2-CB 4.4Å; W500-A563 HydrophobicContact CZ2-CB 3.78Å; P501-A563 HydrophobicContact CG-CB 4.17Å; G502-A563 WeakPolarHBondContact O-CB 3.47Å; L503-A563 HydrophobicContact CD2-CB 4.17Å; L503-A563 HydrophobicContact CG-CB 4.46Å; N559-A563 WeakPolarHBondContact O-CA 3.41Å; N559-A563 PolarHBondContact O-N 3.16Å; A563-L565 PolarHBondContact O-N 3.19Å
564	Q	92.5	Very high	93.6	Very high	116 Å²	116	42.3 Å²	42.3	54%	0.542	23%	0.229	S	C	.	.			trans	-69.2	129.2	179.6	-178	178.6	-7	0	0	110.8	L558 N559 N562 L566	L558-Q564 WeakPolarHBondContact CA-O 3.4Å; N559-Q564 PolarHBondContact N-O 2.89Å; N562-Q564 PolarHBondContact ND2-OE1 2.92Å; N562-Q564 PolarHBondContact O-N 3.3Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.36Å; N562-Q564 PolarHBondContact OD1-N 3.18Å; Q564-L566 PolarHBondContact O-N 2.95Å
565	L	93.9	Very high	93.7	Very high	66 Å²	66	44.1 Å²	44.1	35%	0.346	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124	171.4	-171.7	68.9	0	0	0	110.7	L505 L556 L558 A563 H567	L505-L565 HydrophobicContact CD1-CB 4.36Å; L505-L565 HydrophobicContact CD1-CD1 4.23Å; L505-L565 HydrophobicContact CD1-CD2 4.48Å; L556-L565 HydrophobicContact CB-CD1 3.95Å; L556-L565 HydrophobicContact CD2-CD1 4.28Å; L558-L565 HydrophobicContact CD2-CB 4.35Å; L558-L565 HydrophobicContact CD2-CD1 3.82Å; A563-L565 PolarHBondContact O-N 3.19Å; L565-H567 WeakPolarHBondContact CD1-O 3.05Å
566	L	93.7	Very high	93.7	Very high	80 Å²	80	44.1 Å²	44.1	42%	0.419	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-55.1	177.3	-59	178.8	0	0	0	110.1	N520 V557 N559 Q564	N520-L566 HydrophobicContact CB-CD1 4.16Å; N520-L566 WeakPolarHBondContact OD1-CD1 3.28Å; V557-L566 PolarHBondContact O-N 2.84Å; N559-L566 HydrophobicContact CB-CD1 4.32Å; N559-L566 HydrophobicContact CB-CD2 4.28Å; N559-L566 HydrophobicContact CB-CG 4.41Å; Q564-L566 PolarHBondContact O-N 2.95Å
567	H	91.9	Very high	93.8	Very high	76 Å²	76	43.5 Å²	43.5	35%	0.352	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	169.9	173.5	59.6	-81.4	0	0	0	111.4	V557 L565 Y588	V557-H567 VanDerWaalsContact CB-CE1 3.47Å; V557-H567 WeakPolarHBondContact CB-CE1 3.46Å; V557-H567 VanDerWaalsContact CG2-NE2 3.26Å; V557-H567 WeakPolarHBondContact CG2-NE2 3.33Å; V557-H567 PolarHBondContact N-O 3.06Å; L565-H567 WeakPolarHBondContact CD1-O 3.05Å; H567-Y588 PolarHBondContact NE2-OH 2.75Å
568	S	93.4	Very high	93.9	Very high	44 Å²	44	43.6 Å²	43.6	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	148.8	178.3	53.7	0	0	0	0	112.1	N553 I555	N553-S568 VanDerWaalsContact ND2-C 3.35Å; N553-S568 WeakPolarHBondContact ND2-CB 3.31Å; N553-S568 PolarHBondContact ND2-O 3.38Å; N553-S568 PolarHBondContact ND2-OG 2.61Å; I555-S568 CarbonylContact O-C 3.59Å; I555-S568 WeakPolarHBondContact O-CA 3.36Å; I555-S568 WeakPolarHBondContact O-CB 3.25Å
569	M	94	Very high	94	Very high	27 Å²	27	43.8 Å²	43.8	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-174.1	-175.4	69.1	173.4	76.7	0	0	111.8	N553 T554 I555 Y588 L601 A603	N553-M569 CarbonylContact C-O 3.48Å; N553-M569 VanDerWaalsContact CA-O 3.24Å; N553-M569 WeakPolarHBondContact CA-O 3.38Å; N553-M569 VanDerWaalsContact CB-O 3.24Å; N553-M569 WeakPolarHBondContact CB-O 3.12Å; T554-M569 PolarHBondContact N-O 3.03Å; I555-M569 HydrophobicContact CB-CG 3.69Å; I555-M569 HydrophobicContact CD1-CG 4.09Å; I555-M569 HydrophobicContact CD1-SD 4.31Å; I555-M569 HydrophobicContact CG1-CG 4.43Å; I555-M569 HydrophobicContact CG2-CG 3.88Å; I555-M569 HydrophobicContact CG2-SD 4.48Å; I555-M569 PolarHBondContact N-O 2.85Å; I555-M569 PolarHBondContact O-N 2.91Å; M569-Y588 HydrophobicContact CE-CD2 4.2Å; M569-Y588 HydrophobicContact CE-CE1 4.36Å; M569-Y588 HydrophobicContact CE-CE2 3.76Å; M569-Y588 HydrophobicContact SD-CD2 4.36Å; M569-Y588 HydrophobicContact SD-CE2 4.5Å; M569-L601 HydrophobicContact SD-CD1 4.23Å; M569-A603 VanDerWaalsContact CE-O 3.23Å; M569-A603 WeakPolarHBondContact CE-O 3.5Å
570	G	92.8	Very high	94.1	Very high	8 Å²	8	41.8 Å²	41.8	8%	0.082	23%	0.225	C	C	.	.			trans	93.2	-5.3	173.5	0	0	0	0	0	116.1	N572 L573	G570-N572 PolarHBondContact O-N 3.2Å; G570-L573 PolarHBondContact O-N 3.19Å
571	K	93.3	Very high	94.3	Very high	87 Å²	87	41.9 Å²	41.9	38%	0.378	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	132.9	176.7	169.5	168.1	174.1	56.6	0	112.2	E551 Q552 N553 L573	E551-K571 VanDerWaalsContact O-CD 3.25Å; E551-K571 WeakPolarHBondContact O-CD 3.49Å; E551-K571 WeakPolarHBondContact O-CE 3.42Å; E551-K571 WeakPolarHBondContact O-CG 3.44Å; E551-K571 PolarHBondContact O-NZ 2.69Å; E551-K571 IonicContact OE2-NZ 3.82Å; E551-K571 PolarHBondContact OE2-NZ 2.92Å; Q552-K571 VanDerWaalsContact O-CA 3.31Å; Q552-K571 WeakPolarHBondContact O-CA 3.4Å; N553-K571 WeakPolarHBondContact OD1-CB 3.28Å; N553-K571 PolarHBondContact OD1-N 3.36Å; K571-L573 PolarHBondContact O-N 3.08Å
572	N	93.8	Very high	94.6	Very high	82 Å²	82	39.2 Å²	39.2	44%	0.439	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	8.8	179.3	-56.4	3.2	0	0	0	115.6	P549 I550 G570	P549-N572 WeakPolarHBondContact CB-O 3.36Å; P549-N572 HydrophobicContact CG-CB 4.33Å; P549-N572 VanDerWaalsContact CG-O 3.31Å; P549-N572 WeakPolarHBondContact CG-O 3.06Å; I550-N572 WeakPolarHBondContact O-CA 3.37Å; I550-N572 PolarHBondContact O-N 2.73Å; G570-N572 PolarHBondContact O-N 3.2Å
573	L	93.9	Very high	94.9	Very high	48 Å²	48	36.1 Å²	36.1	25%	0.251	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-29.6	-179.6	-62.3	-175.1	0	0	0	114.3	G570 K571 L601	G570-L573 PolarHBondContact O-N 3.19Å; K571-L573 PolarHBondContact O-N 3.08Å; L573-L601 HydrophobicContact CD1-CD1 4.35Å; L573-L601 HydrophobicContact CD1-CD2 4.27Å
574	F	96.4	Very high	94.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.			trans	-119.6	157.2	-165.1	-57.7	-71.3	0	0	0	113	F524 P549 I550 T554 I555 P577 V590 D592 F599 L601	F524-F574 HydrophobicContact CE2-CD2 4.02Å; F524-F574 AromaticContact CE2-CE2 3.97Å; F524-F574 HydrophobicContact CE2-CE2 3.97Å; F524-F574 HydrophobicContact CE2-CG 4.33Å; F524-F574 HydrophobicContact CE2-CZ 4.28Å; F524-F574 HydrophobicContact CZ-CD1 4.1Å; F524-F574 HydrophobicContact CZ-CD2 4.33Å; F524-F574 HydrophobicContact CZ-CE1 4.09Å; F524-F574 HydrophobicContact CZ-CE2 4.29Å; F524-F574 HydrophobicContact CZ-CG 4.23Å; F524-F574 HydrophobicContact CZ-CZ 4.18Å; P549-F574 CarbonylContact C-O 3.56Å; P549-F574 VanDerWaalsContact CA-O 3.28Å; P549-F574 WeakPolarHBondContact CA-O 3Å; P549-F574 WeakPolarHBondContact CB-O 3.36Å; I550-F574 HydrophobicContact CD1-CB 4.35Å; I550-F574 PolarHBondContact N-O 3.04Å; T554-F574 HydrophobicContact CG2-CD2 4.42Å; T554-F574 VanDerWaalsContact OG1-CD2 3.25Å; T554-F574 WeakPolarHBondContact OG1-CD2 3.4Å; I555-F574 HydrophobicContact CD1-CE2 4.35Å; F574-P577 HydrophobicContact CB-CG 3.88Å; F574-P577 HydrophobicContact CG-CG 4.37Å; F574-V590 HydrophobicContact CE1-CG2 3.66Å; F574-V590 HydrophobicContact CZ-CG2 3.58Å; F574-D592 WeakPolarHBondContact CA-OD2 3Å; F574-D592 WeakPolarHBondContact CB-OD2 3.21Å; F574-D592 HydrophobicContact CD1-CB 4.15Å; F574-F599 AromaticContact CE1-CD2 3.87Å; F574-F599 HydrophobicContact CE1-CD2 3.87Å; F574-F599 HydrophobicContact CE1-CE2 4.23Å; F574-F599 HydrophobicContact CE1-CG 4.22Å; F574-L601 HydrophobicContact CZ-CD1 4.19Å
575	Y	96.8	Very high	94.9	Very high	37 Å²	37	41.4 Å²	41.4	15%	0.145	21%	0.212	C	C	.	.	S	Bend	trans	-117.5	-43.2	174.5	-83.7	-96.8	0	0	0	112.1	H529 Y542 G548 P549 D592 L595	H529-Y575 PolarHBondContact ND1-O 2.86Å; Y542-Y575 HydrophobicContact CD1-CD1 4.3Å; Y542-Y575 AromaticContact CE1-CD1 3.53Å; Y542-Y575 HydrophobicContact CE1-CD1 3.53Å; Y542-Y575 HydrophobicContact CE1-CE1 4.23Å; Y542-Y575 HydrophobicContact CE1-CG 4.26Å; G548-Y575 VanDerWaalsContact C-CZ 3.48Å; G548-Y575 WeakPolarHBondContact O-CD1 3.45Å; G548-Y575 WeakPolarHBondContact O-CE1 3.44Å; P549-Y575 HydrophobicContact CB-CD2 4.09Å; P549-Y575 HydrophobicContact CB-CE2 3.83Å; Y575-D592 PolarHBondContact N-OD2 3.48Å; Y575-L595 HydrophobicContact CD2-CD1 4.35Å; Y575-L595 HydrophobicContact CD2-CD2 3.65Å; Y575-L595 HydrophobicContact CD2-CG 4.06Å; Y575-L595 HydrophobicContact CE2-CD2 4.04Å
576	L	96.6	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-145	85.1	171.5	-76.1	-176.4	0	0	0	109.9	H529 W531 F536 Y542 D592 V593 A594	H529-L576 HydrophobicContact CB-CD2 4.18Å; W531-L576 HydrophobicContact CB-CD1 4.12Å; W531-L576 HydrophobicContact CB-CD2 4.15Å; W531-L576 HydrophobicContact CD2-CD1 4.26Å; W531-L576 HydrophobicContact CG-CD1 4.03Å; F536-L576 HydrophobicContact CE2-CD1 3.58Å; F536-L576 HydrophobicContact CZ-CD1 3.84Å; Y542-L576 HydrophobicContact CD2-CD1 3.98Å; Y542-L576 HydrophobicContact CE2-CD1 3.55Å; Y542-L576 HydrophobicContact CE2-CG 3.84Å; L576-D592 PolarHBondContact N-OD1 2.88Å; L576-D592 PolarHBondContact N-OD2 3.01Å; L576-D592 WeakPolarHBondContact O-CA 3.3Å; L576-V593 HydrophobicContact CB-CG2 3.61Å; L576-V593 HydrophobicContact CD1-CG2 4.25Å; L576-V593 WeakPolarHBondContact O-CG2 3.47Å; L576-V593 PolarHBondContact O-N 3.26Å; L576-V593 VanDerWaalsContact O-N 3.1Å; L576-A594 HydrophobicContact CB-CB 3.84Å; L576-A594 HydrophobicContact CD1-CB 4.27Å; L576-A594 HydrophobicContact CG-CB 4.08Å
577	P	97.1	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-42.1	138.5	164.8	-36.6	40.3	0	0	0	114	S511 F524 R526 I550 T554 F574	S511-P577 PolarHBondContact OG-O 2.96Å; F524-P577 HydrophobicContact CD1-CB 3.83Å; F524-P577 HydrophobicContact CD2-CB 4.03Å; F524-P577 HydrophobicContact CD2-CG 4.36Å; F524-P577 HydrophobicContact CE1-CB 3.51Å; F524-P577 HydrophobicContact CE1-CG 4.34Å; F524-P577 HydrophobicContact CE2-CB 3.73Å; F524-P577 HydrophobicContact CE2-CG 3.79Å; F524-P577 HydrophobicContact CG-CB 4.08Å; F524-P577 HydrophobicContact CZ-CB 3.46Å; F524-P577 VanDerWaalsContact CZ-CB 3.46Å; F524-P577 HydrophobicContact CZ-CG 3.78Å; R526-P577 HydrophobicContact CG-CB 3.98Å; R526-P577 HydrophobicContact CG-CG 4.36Å; R526-P577 PolarHBondContact NE-O 2.92Å; R526-P577 PolarHBondContact NH2-O 3.2Å; I550-P577 VanDerWaalsContact CD1-CD 3.44Å; I550-P577 HydrophobicContact CD1-CG 3.89Å; T554-P577 HydrophobicContact CG2-CG 4.21Å; F574-P577 HydrophobicContact CB-CG 3.88Å; F574-P577 HydrophobicContact CG-CG 4.37Å
578	H	97.8	Very high	95.2	Very high	3 Å²	3	33 Å²	33	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	-102.5	168.1	-165.9	-83.5	0	0	0	111.3	S511 G512 R526 W531 T591 V593 T629 Y646 H682 H779	S511-H578 CarbonylContact C-O 3.59Å; S511-H578 VanDerWaalsContact CB-O 3.3Å; S511-H578 WeakPolarHBondContact CB-O 3.2Å; S511-H578 WeakPolarHBondContact OG-CA 3.46Å; S511-H578 PolarHBondContact OG-O 2.93Å; G512-H578 PolarHBondContact N-O 2.84Å; R526-H578 PolarHBondContact NH2-CD2 2.76Å; W531-H578 AromaticContact CZ3-CD2 3.72Å; H578-T591 PolarHBondContact N-O 2.94Å; H578-V593 HydrophobicContact CB-CG1 3.93Å; H578-T629 PolarHBondContact ND1-O 2.91Å; H578-Y646 AromaticContact CD2-CE2 3.89Å; H578-Y646 AromaticContact NE2-CE2 3.52Å; H578-Y646 AromaticContact NE2-CZ 3.83Å; H578-Y646 PolarHBondContact NE2-OH 2.8Å; H578-H682 AromaticContact CE1-CE1 3.68Å; H578-H682 AromaticContact CE1-NE2 3.55Å; H578-H682 AromaticContact NE2-CE1 3.86Å; H578-H682 AromaticContact NE2-NE2 3.39Å; H578-H682 PolarHBondContact NE2-NE2 3.33Å; H578-H779 AromaticContact CD2-CE1 3.62Å; H578-H779 AromaticContact CD2-NE2 3.94Å; H578-H779 AromaticContact CE1-CE1 3.66Å; H578-H779 AromaticContact NE2-CE1 3.21Å; H578-H779 PolarHBondContact NE2-CE1 2.88Å; H578-H779 AromaticContact NE2-NE2 3.54Å
579	G	97.1	Very high	95.4	Very high	4 Å²	4	31.1 Å²	31.1	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	158.1	-176.1	0	0	0	0	0	113.7	F524 V590 T591 T629	F524-G579 WeakPolarHBondContact CD1-O 3.42Å; F524-G579 WeakPolarHBondContact CE1-O 3.46Å; G579-V590 WeakPolarHBondContact O-CA 3.46Å; G579-T591 PolarHBondContact N-OG1 2.74Å; G579-T591 PolarHBondContact O-N 3.13Å; G579-T591 VanDerWaalsContact O-N 3.12Å; G579-T629 WeakPolarHBondContact CA-O 3.39Å; G579-T629 PolarHBondContact N-O 2.73Å; G579-T629 VanDerWaalsContact N-O 3.17Å
580	L	98.1	Very high	95.7	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	129.6	-179.9	165.4	68.3	0	0	0	109.3	A514 V522 F524 Y588 W589 V590	A514-L580 HydrophobicContact CB-CD2 3.88Å; A514-L580 HydrophobicContact CB-CG 3.8Å; V522-L580 HydrophobicContact CB-CD2 4.05Å; V522-L580 HydrophobicContact CG1-CD1 4.5Å; V522-L580 HydrophobicContact CG1-CD2 3.59Å; F524-L580 HydrophobicContact CB-CB 3.93Å; F524-L580 HydrophobicContact CB-CD2 3.93Å; F524-L580 HydrophobicContact CB-CG 4.44Å; F524-L580 HydrophobicContact CD1-CB 4.15Å; F524-L580 HydrophobicContact CG-CB 4.39Å; L580-Y588 HydrophobicContact CD1-CD1 4.39Å; L580-W589 CarbonylContact C-O 3.53Å; L580-W589 WeakPolarHBondContact CA-O 3.13Å; L580-V590 HydrophobicContact CB-CG1 4.17Å; L580-V590 HydrophobicContact CD1-CG1 3.47Å; L580-V590 VanDerWaalsContact CD1-CG1 3.47Å; L580-V590 HydrophobicContact CG-CG1 4.41Å
581	S	97.4	Very high	95.9	Very high	26 Å²	26	29.4 Å²	29.4	18%	0.182	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	171.2	162	72.9	0	0	0	0	111.1	W589 V631	S581-W589 PolarHBondContact N-O 2.88Å; S581-W589 PolarHBondContact O-N 2.87Å; S581-V631 VanDerWaalsContact CB-O 3.24Å; S581-V631 WeakPolarHBondContact CB-O 3.34Å; S581-V631 PolarHBondContact OG-O 2.81Å
582	I	96.4	Very high	96.2	Very high	32 Å²	32	25.3 Å²	25.3	16%	0.164	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.6	-179.6	-65.2	175.2	0	0	0	108.5	A514 D516 V522 N587 Y588	A514-I582 HydrophobicContact CB-CD1 3.83Å; A514-I582 HydrophobicContact CB-CG1 3.87Å; D516-I582 HydrophobicContact CB-CD1 4.04Å; V522-I582 HydrophobicContact CB-CD1 4.03Å; V522-I582 HydrophobicContact CG1-CD1 4.36Å; V522-I582 HydrophobicContact CG2-CD1 3.54Å; I582-N587 WeakPolarHBondContact CA-O 3.46Å; I582-Y588 HydrophobicContact CD1-CD1 4.12Å; I582-Y588 HydrophobicContact CD1-CE1 4.07Å; I582-Y588 HydrophobicContact CG1-CD1 4.26Å
583	D	94.6	Very high	96.4	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.043	11%	0.111	C	C	.	.			trans	-81	161.4	175.7	79.9	32.3	0	0	0	112	N585 G586 N587 W589 K600 V633	D583-N585 PolarHBondContact O-N 3.46Å; D583-N585 PolarHBondContact OD1-N 2.95Å; D583-N585 PolarHBondContact OD1-ND2 2.88Å; D583-G586 PolarHBondContact O-N 2.93Å; D583-N587 PolarHBondContact N-O 2.94Å; D583-N587 PolarHBondContact OD1-N 3.03Å; D583-N587 PolarHBondContact OD1-ND2 2.77Å; D583-N587 PolarHBondContact OD2-ND2 3.37Å; D583-W589 PolarHBondContact OD2-NE1 2.9Å; D583-K600 VanDerWaalsContact OD2-CE 3.3Å; D583-K600 WeakPolarHBondContact OD2-CE 3.42Å; D583-K600 IonicContact OD2-NZ 3.72Å; D583-K600 PolarHBondContact OD2-NZ 2.89Å; D583-V633 HydrophobicContact CB-CB 4.18Å; D583-V633 HydrophobicContact CB-CG1 4.1Å
584	K	91.9	Very high	96.5	Very high	128 Å²	128	19.1 Å²	19.1	56%	0.557	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-7.4	-177.9	64.9	162.2	176.7	-168.2	0	116.6	P635	K584-P635 HydrophobicContact CB-CB 4.18Å; K584-P635 HydrophobicContact CD-CB 4.24Å; K584-P635 VanDerWaalsContact CD-O 3.24Å; K584-P635 WeakPolarHBondContact CD-O 3.44Å; K584-P635 WeakPolarHBondContact CE-O 3.38Å; K584-P635 HydrophobicContact CG-CB 4.42Å; K584-P635 PolarHBondContact NZ-O 2.98Å
585	N	92.4	Very high	96.6	Very high	108 Å²	108	19.7 Å²	19.7	58%	0.578	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111	13.7	178.1	-21.6	-98.3	0	0	0	111.8	D583	D583-N585 PolarHBondContact O-N 3.46Å; D583-N585 PolarHBondContact OD1-N 2.95Å; D583-N585 PolarHBondContact OD1-ND2 2.88Å
586	G	93.6	Very high	96.6	Very high	14 Å²	14	18 Å²	18	14%	0.144	10%	0.095	C	C	.	.	S	Bend	trans	78.2	16.7	178	0	0	0	0	0	114.9	D583 Y588	D583-G586 PolarHBondContact O-N 2.93Å; G586-Y588 WeakPolarHBondContact O-CE2 3.45Å
587	N	95.6	Very high	96.7	Very high	24 Å²	24	19 Å²	19	13%	0.128	10%	0.1	C	C	.	.			trans	-86.2	137.1	175.1	-53.4	-92	0	0	0	110.6	I582 D583 K600 L601 L609	I582-N587 WeakPolarHBondContact CA-O 3.46Å; D583-N587 PolarHBondContact N-O 2.94Å; D583-N587 PolarHBondContact OD1-N 3.03Å; D583-N587 PolarHBondContact OD1-ND2 2.77Å; D583-N587 PolarHBondContact OD2-ND2 3.37Å; N587-K600 HydrophobicContact CB-CD 4.34Å; N587-K600 HydrophobicContact CB-CG 4.09Å; N587-K600 WeakPolarHBondContact ND2-CE 3.39Å; N587-K600 WeakPolarHBondContact OD1-CE 3.33Å; N587-L601 CarbonylContact C-O 3Å; N587-L601 WeakPolarHBondContact CA-O 3.34Å; N587-L601 WeakPolarHBondContact CB-O 3.31Å; N587-L609 WeakPolarHBondContact OD1-CD1 3.36Å
588	Y	96.9	Very high	96.8	Very high	7 Å²	7	19 Å²	19	3%	0.027	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.4	179.7	-56.1	-111.6	0	0	0	108.2	V522 I555 V557 H567 M569 L580 I582 G586 K600 L601 A603	V522-Y588 HydrophobicContact CG1-CD1 4Å; V522-Y588 HydrophobicContact CG1-CE1 3.7Å; V522-Y588 HydrophobicContact CG2-CE1 4.17Å; I555-Y588 HydrophobicContact CG2-CD1 3.95Å; I555-Y588 HydrophobicContact CG2-CE1 3.98Å; V557-Y588 HydrophobicContact CG2-CE1 4.2Å; H567-Y588 PolarHBondContact NE2-OH 2.75Å; M569-Y588 HydrophobicContact CE-CD2 4.2Å; M569-Y588 HydrophobicContact CE-CE1 4.36Å; M569-Y588 HydrophobicContact CE-CE2 3.76Å; M569-Y588 HydrophobicContact SD-CD2 4.36Å; M569-Y588 HydrophobicContact SD-CE2 4.5Å; L580-Y588 HydrophobicContact CD1-CD1 4.39Å; I582-Y588 HydrophobicContact CD1-CD1 4.12Å; I582-Y588 HydrophobicContact CD1-CE1 4.07Å; I582-Y588 HydrophobicContact CG1-CD1 4.26Å; G586-Y588 WeakPolarHBondContact O-CE2 3.45Å; Y588-K600 CarbonylContact O-C 3.56Å; Y588-K600 WeakPolarHBondContact O-CA 3.46Å; Y588-L601 PolarHBondContact N-O 2.03Å; Y588-L601 PolarHBondContact O-N 2.82Å; Y588-A603 HydrophobicContact CE2-CB 3.94Å
589	W	98.1	Very high	96.8	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.8	175.2	-70.4	87	0	0	0	108.4	L580 S581 D583 F599 K600 L610 V631 V633 I640	L580-W589 CarbonylContact C-O 3.53Å; L580-W589 WeakPolarHBondContact CA-O 3.13Å; S581-W589 PolarHBondContact N-O 2.88Å; S581-W589 PolarHBondContact O-N 2.87Å; D583-W589 PolarHBondContact OD2-NE1 2.9Å; W589-F599 WeakPolarHBondContact CA-O 3.45Å; W589-K600 HydrophobicContact CD2-CB 4.06Å; W589-K600 HydrophobicContact CD2-CG 4.05Å; W589-K600 HydrophobicContact CE3-CB 3.93Å; W589-K600 HydrophobicContact CE3-CG 4.41Å; W589-K600 HydrophobicContact CH2-CB 3.96Å; W589-K600 HydrophobicContact CH2-CD 3.85Å; W589-K600 HydrophobicContact CH2-CG 4.16Å; W589-K600 HydrophobicContact CZ2-CB 4.11Å; W589-K600 HydrophobicContact CZ2-CD 3.4Å; W589-K600 VanDerWaalsContact CZ2-CD 3.4Å; W589-K600 HydrophobicContact CZ2-CG 3.8Å; W589-K600 HydrophobicContact CZ3-CB 3.86Å; W589-K600 HydrophobicContact CZ3-CG 4.44Å; W589-L610 HydrophobicContact CH2-CD2 3.91Å; W589-L610 HydrophobicContact CZ3-CD2 4.1Å; W589-V631 HydrophobicContact CB-CG1 3.74Å; W589-V631 HydrophobicContact CB-CG2 4.2Å; W589-V631 HydrophobicContact CE3-CG2 4.22Å; W589-V633 HydrophobicContact CD2-CG2 3.77Å; W589-V633 HydrophobicContact CE3-CG2 4.38Å; W589-V633 HydrophobicContact CG-CG2 3.9Å; W589-V633 HydrophobicContact CZ2-CG2 4.03Å; W589-I640 HydrophobicContact CE3-CG2 4.41Å; W589-I640 HydrophobicContact CH2-CD1 3.35Å; W589-I640 HydrophobicContact CH2-CG1 3.67Å; W589-I640 HydrophobicContact CH2-CG2 4.48Å; W589-I640 HydrophobicContact CZ2-CD1 4.34Å; W589-I640 HydrophobicContact CZ2-CG1 4.27Å; W589-I640 HydrophobicContact CZ3-CD1 3.72Å; W589-I640 HydrophobicContact CZ3-CG1 4.08Å; W589-I640 HydrophobicContact CZ3-CG2 4.06Å
590	V	98.3	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.4	-171.8	-70.1	0	0	0	0	112.1	F524 I555 F574 G579 L580 V598 F599	F524-V590 HydrophobicContact CD1-CB 4.3Å; F524-V590 HydrophobicContact CD1-CG1 3.96Å; F524-V590 HydrophobicContact CE1-CB 3.57Å; F524-V590 HydrophobicContact CE1-CG1 3.7Å; F524-V590 HydrophobicContact CE1-CG2 4.45Å; F524-V590 HydrophobicContact CE2-CG1 4.27Å; F524-V590 HydrophobicContact CG-CG1 4.37Å; F524-V590 HydrophobicContact CZ-CB 3.7Å; F524-V590 HydrophobicContact CZ-CG1 3.86Å; F524-V590 HydrophobicContact CZ-CG2 4.09Å; I555-V590 HydrophobicContact CD1-CG1 4.32Å; F574-V590 HydrophobicContact CE1-CG2 3.66Å; F574-V590 HydrophobicContact CZ-CG2 3.58Å; G579-V590 WeakPolarHBondContact O-CA 3.46Å; L580-V590 HydrophobicContact CB-CG1 4.17Å; L580-V590 HydrophobicContact CD1-CG1 3.47Å; L580-V590 VanDerWaalsContact CD1-CG1 3.47Å; L580-V590 HydrophobicContact CG-CG1 4.41Å; V590-V598 WeakPolarHBondContact O-CA 3.4Å; V590-F599 HydrophobicContact CG2-CB 3.94Å; V590-F599 PolarHBondContact N-O 2.95Å; V590-F599 PolarHBondContact O-N 2.95Å
591	T	98.6	Very high	96.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	142.2	174.5	64.3	0	0	0	0	111	H578 G579 V598 P628 T629 V631	H578-T591 PolarHBondContact N-O 2.94Å; G579-T591 PolarHBondContact N-OG1 2.74Å; G579-T591 PolarHBondContact O-N 3.13Å; G579-T591 VanDerWaalsContact O-N 3.12Å; T591-V598 HydrophobicContact CG2-CG1 4.34Å; T591-V598 HydrophobicContact CG2-CG2 3.96Å; T591-P628 WeakPolarHBondContact CB-O 3.36Å; T591-P628 HydrophobicContact CG2-CB 4.39Å; T591-P628 PolarHBondContact OG1-O 3.28Å; T591-T629 PolarHBondContact OG1-O 3.07Å; T591-V631 HydrophobicContact CG2-CB 4.24Å; T591-V631 HydrophobicContact CG2-CG1 4.02Å
592	D	98.4	Very high	96.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.4	169.1	-173.3	-60.7	0	0	0	109.3	F574 Y575 L576 A594 L595 H596 Q597 F599	F574-D592 WeakPolarHBondContact CA-OD2 3Å; F574-D592 WeakPolarHBondContact CB-OD2 3.21Å; F574-D592 HydrophobicContact CD1-CB 4.15Å; Y575-D592 PolarHBondContact N-OD2 3.48Å; L576-D592 PolarHBondContact N-OD1 2.88Å; L576-D592 PolarHBondContact N-OD2 3.01Å; L576-D592 WeakPolarHBondContact O-CA 3.3Å; D592-A594 WeakPolarHBondContact OD1-CA 3.44Å; D592-A594 WeakPolarHBondContact OD1-CB 3.46Å; D592-A594 PolarHBondContact OD1-N 2.86Å; D592-L595 HydrophobicContact CB-CB 4.14Å; D592-L595 HydrophobicContact CB-CD1 4.22Å; D592-L595 HydrophobicContact CB-CG 4.36Å; D592-L595 PolarHBondContact OD1-N 3.46Å; D592-H596 WeakPolarHBondContact O-CA 3.22Å; D592-H596 PolarHBondContact O-N 2.99Å; D592-Q597 PolarHBondContact N-O 3.47Å; D592-Q597 PolarHBondContact O-N 3.27Å; D592-Q597 VanDerWaalsContact O-N 3.08Å; D592-F599 HydrophobicContact CB-CE2 4.08Å
593	V	97.7	Very high	95.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-22.4	-174.6	-69.1	0	0	0	0	113.3	W531 F536 L576 H578 H596 Q627 P628	W531-V593 HydrophobicContact CD2-CG2 4.31Å; W531-V593 HydrophobicContact CE3-CG2 3.55Å; W531-V593 HydrophobicContact CH2-CB 3.82Å; W531-V593 HydrophobicContact CH2-CG1 3.78Å; W531-V593 HydrophobicContact CH2-CG2 3.58Å; W531-V593 HydrophobicContact CZ2-CG2 4.32Å; W531-V593 HydrophobicContact CZ3-CB 3.8Å; W531-V593 HydrophobicContact CZ3-CG1 3.68Å; W531-V593 HydrophobicContact CZ3-CG2 3.15Å; F536-V593 WeakPolarHBondContact CE1-O 3.47Å; F536-V593 HydrophobicContact CE2-CG2 4.35Å; F536-V593 HydrophobicContact CZ-CB 4.23Å; F536-V593 HydrophobicContact CZ-CG2 3.91Å; F536-V593 WeakPolarHBondContact CZ-O 3.31Å; L576-V593 HydrophobicContact CB-CG2 3.61Å; L576-V593 HydrophobicContact CD1-CG2 4.25Å; L576-V593 WeakPolarHBondContact O-CG2 3.47Å; L576-V593 PolarHBondContact O-N 3.26Å; L576-V593 VanDerWaalsContact O-N 3.1Å; H578-V593 HydrophobicContact CB-CG1 3.93Å; V593-H596 PolarHBondContact O-CE1 2.9Å; V593-H596 PolarHBondContact O-ND1 3Å; V593-Q627 HydrophobicContact CB-CB 3.99Å; V593-Q627 HydrophobicContact CB-CG 4.13Å; V593-Q627 HydrophobicContact CG1-CB 4.03Å; V593-Q627 WeakPolarHBondContact O-CG 3.5Å; V593-P628 WeakPolarHBondContact CG1-O 3.05Å
594	A	96.8	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-39.7	177.7	0	0	0	0	0	110.9	F536 Y542 L576 D592 H596 L616	F536-A594 HydrophobicContact CE1-CB 4.49Å; F536-A594 HydrophobicContact CZ-CB 4.22Å; Y542-A594 HydrophobicContact CD1-CB 3.88Å; Y542-A594 HydrophobicContact CD2-CB 3.49Å; Y542-A594 VanDerWaalsContact CD2-CB 3.49Å; Y542-A594 HydrophobicContact CE1-CB 4.22Å; Y542-A594 HydrophobicContact CE2-CB 3.87Å; Y542-A594 HydrophobicContact CG-CB 3.48Å; Y542-A594 VanDerWaalsContact CG-CB 3.48Å; L576-A594 HydrophobicContact CB-CB 3.84Å; L576-A594 HydrophobicContact CD1-CB 4.27Å; L576-A594 HydrophobicContact CG-CB 4.08Å; D592-A594 WeakPolarHBondContact OD1-CA 3.44Å; D592-A594 WeakPolarHBondContact OD1-CB 3.46Å; D592-A594 PolarHBondContact OD1-N 2.86Å; A594-H596 VanDerWaalsContact C-N 3.32Å; A594-L616 WeakPolarHBondContact O-CD2 3.47Å
595	L	97.6	Very high	93.8	Very high	13 Å²	13	25.9 Å²	25.9	7%	0.068	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21.4	172.1	-62.6	177.4	0	0	0	112.3	Y575 D592 Q597 F599 A615 L616	Y575-L595 HydrophobicContact CD2-CD1 4.35Å; Y575-L595 HydrophobicContact CD2-CD2 3.65Å; Y575-L595 HydrophobicContact CD2-CG 4.06Å; Y575-L595 HydrophobicContact CE2-CD2 4.04Å; D592-L595 HydrophobicContact CB-CB 4.14Å; D592-L595 HydrophobicContact CB-CD1 4.22Å; D592-L595 HydrophobicContact CB-CG 4.36Å; D592-L595 PolarHBondContact OD1-N 3.46Å; L595-Q597 VanDerWaalsContact C-N 3.33Å; L595-Q597 HydrophobicContact CB-CB 4.15Å; L595-Q597 HydrophobicContact CB-CG 4.35Å; L595-F599 HydrophobicContact CD1-CE2 4.09Å; L595-F599 HydrophobicContact CD1-CZ 3.69Å; L595-A615 HydrophobicContact CD2-CB 4.42Å; L595-A615 CarbonylContact O-C 3.58Å; L595-A615 VanDerWaalsContact O-CA 3.3Å; L595-A615 WeakPolarHBondContact O-CA 3.38Å; L595-L616 HydrophobicContact CD2-CD2 3.95Å; L595-L616 HydrophobicContact CD2-CG 3.98Å; L595-L616 PolarHBondContact O-N 3.15Å
596	H	98	Very high	92.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	43.9	-170.1	-40.8	-65.9	0	0	0	112.4	F536 F540 D592 V593 A594 Q617 P618 Q627	F536-H596 AromaticContact CE1-CE1 3.9Å; F540-H596 PolarHBondContact O-CE1 3.27Å; F540-H596 PolarHBondContact O-NE2 3.37Å; D592-H596 WeakPolarHBondContact O-CA 3.22Å; D592-H596 PolarHBondContact O-N 2.99Å; V593-H596 PolarHBondContact O-CE1 2.9Å; V593-H596 PolarHBondContact O-ND1 3Å; A594-H596 VanDerWaalsContact C-N 3.32Å; H596-Q617 VanDerWaalsContact CD2-C 3.47Å; H596-P618 VanDerWaalsContact CD2-N 3.29Å; H596-P618 WeakPolarHBondContact NE2-CD 3.44Å; H596-Q627 PolarHBondContact ND1-N 2.91Å
597	Q	98.4	Very high	92.6	Very high	21 Å²	21	35.4 Å²	35.4	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	155.5	-171.5	-76.3	-173.8	-50.1	0	0	112.8	D592 L595 F599 I611 L612 G613 A615	D592-Q597 PolarHBondContact N-O 3.47Å; D592-Q597 PolarHBondContact O-N 3.27Å; D592-Q597 VanDerWaalsContact O-N 3.08Å; L595-Q597 VanDerWaalsContact C-N 3.33Å; L595-Q597 HydrophobicContact CB-CB 4.15Å; L595-Q597 HydrophobicContact CB-CG 4.35Å; Q597-F599 HydrophobicContact CB-CD2 4.32Å; Q597-F599 HydrophobicContact CB-CE2 3.49Å; Q597-F599 VanDerWaalsContact CB-CE2 3.49Å; Q597-F599 HydrophobicContact CB-CZ 3.68Å; Q597-I611 HydrophobicContact CB-CG2 4.23Å; Q597-I611 HydrophobicContact CG-CG2 4.2Å; Q597-I611 VanDerWaalsContact NE2-CG2 3.32Å; Q597-L612 CarbonylContact C-O 3.58Å; Q597-L612 WeakPolarHBondContact CA-O 3.48Å; Q597-L612 WeakPolarHBondContact CB-O 3.32Å; Q597-L612 WeakPolarHBondContact CG-O 3.28Å; Q597-G613 PolarHBondContact NE2-O 3.49Å; Q597-A615 VanDerWaalsContact CD-N 3.31Å; Q597-A615 VanDerWaalsContact NE2-N 3.13Å
598	V	98.6	Very high	92.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.6	170.9	-173.4	0	0	0	0	108.4	V590 T591 I611 L612 F625 P628 V631 V642	V590-V598 WeakPolarHBondContact O-CA 3.4Å; T591-V598 HydrophobicContact CG2-CG1 4.34Å; T591-V598 HydrophobicContact CG2-CG2 3.96Å; V598-I611 WeakPolarHBondContact O-CA 3.47Å; V598-L612 HydrophobicContact CB-CB 4.34Å; V598-L612 PolarHBondContact N-O 2.95Å; V598-L612 PolarHBondContact O-N 3.37Å; V598-F625 HydrophobicContact CB-CE2 4.36Å; V598-F625 HydrophobicContact CG2-CD2 4.2Å; V598-F625 HydrophobicContact CG2-CE2 3.71Å; V598-F625 HydrophobicContact CG2-CZ 4.12Å; V598-P628 HydrophobicContact CG2-CB 4.08Å; V598-P628 HydrophobicContact CG2-CG 4.15Å; V598-V631 HydrophobicContact CG1-CB 3.92Å; V598-V631 HydrophobicContact CG1-CG1 4.04Å; V598-V631 HydrophobicContact CG1-CG2 3.88Å; V598-V642 HydrophobicContact CG1-CG2 4.38Å; V598-V642 HydrophobicContact CG2-CG1 3.72Å; V598-V642 HydrophobicContact CG2-CG2 3.99Å
599	F	97.9	Very high	92.4	Very high	11 Å²	11	39.8 Å²	39.8	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.3	-174.6	-59.7	-98.7	0	0	0	110.7	F574 W589 V590 D592 L595 Q597 L601 P608 L610 I611	F574-F599 AromaticContact CE1-CD2 3.87Å; F574-F599 HydrophobicContact CE1-CD2 3.87Å; F574-F599 HydrophobicContact CE1-CE2 4.23Å; F574-F599 HydrophobicContact CE1-CG 4.22Å; W589-F599 WeakPolarHBondContact CA-O 3.45Å; V590-F599 HydrophobicContact CG2-CB 3.94Å; V590-F599 PolarHBondContact N-O 2.95Å; V590-F599 PolarHBondContact O-N 2.95Å; D592-F599 HydrophobicContact CB-CE2 4.08Å; L595-F599 HydrophobicContact CD1-CE2 4.09Å; L595-F599 HydrophobicContact CD1-CZ 3.69Å; Q597-F599 HydrophobicContact CB-CD2 4.32Å; Q597-F599 HydrophobicContact CB-CE2 3.49Å; Q597-F599 VanDerWaalsContact CB-CE2 3.49Å; Q597-F599 HydrophobicContact CB-CZ 3.68Å; F599-L601 HydrophobicContact CB-CD2 4.39Å; F599-P608 HydrophobicContact CD1-CB 4.08Å; F599-P608 HydrophobicContact CD1-CG 3.77Å; F599-P608 HydrophobicContact CE1-CG 4.36Å; F599-L610 WeakPolarHBondContact CA-O 3.45Å; F599-I611 HydrophobicContact CD1-CB 4.45Å; F599-I611 HydrophobicContact CD1-CD1 4.19Å; F599-I611 HydrophobicContact CD1-CG1 3.86Å; F599-I611 HydrophobicContact CD1-CG2 3.99Å; F599-I611 HydrophobicContact CE1-CD1 3.96Å; F599-I611 HydrophobicContact CE1-CG1 4.06Å; F599-I611 HydrophobicContact CE1-CG2 3.74Å; F599-I611 HydrophobicContact CZ-CG2 4.2Å
600	K	97.6	Very high	92.3	Very high	37 Å²	37	41.5 Å²	41.5	16%	0.161	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.3	159.8	-172.7	-178.2	-167.8	149.9	0	109.1	D583 N587 Y588 W589 P608 L609 L610	D583-K600 VanDerWaalsContact OD2-CE 3.3Å; D583-K600 WeakPolarHBondContact OD2-CE 3.42Å; D583-K600 IonicContact OD2-NZ 3.72Å; D583-K600 PolarHBondContact OD2-NZ 2.89Å; N587-K600 HydrophobicContact CB-CD 4.34Å; N587-K600 HydrophobicContact CB-CG 4.09Å; N587-K600 WeakPolarHBondContact ND2-CE 3.39Å; N587-K600 WeakPolarHBondContact OD1-CE 3.33Å; Y588-K600 CarbonylContact O-C 3.56Å; Y588-K600 WeakPolarHBondContact O-CA 3.46Å; W589-K600 HydrophobicContact CD2-CB 4.06Å; W589-K600 HydrophobicContact CD2-CG 4.05Å; W589-K600 HydrophobicContact CE3-CB 3.93Å; W589-K600 HydrophobicContact CE3-CG 4.41Å; W589-K600 HydrophobicContact CH2-CB 3.96Å; W589-K600 HydrophobicContact CH2-CD 3.85Å; W589-K600 HydrophobicContact CH2-CG 4.16Å; W589-K600 HydrophobicContact CZ2-CB 4.11Å; W589-K600 HydrophobicContact CZ2-CD 3.4Å; W589-K600 VanDerWaalsContact CZ2-CD 3.4Å; W589-K600 HydrophobicContact CZ2-CG 3.8Å; W589-K600 HydrophobicContact CZ3-CB 3.86Å; W589-K600 HydrophobicContact CZ3-CG 4.44Å; K600-P608 CarbonylContact O-C 3.53Å; K600-P608 WeakPolarHBondContact O-CA 3.33Å; K600-L609 HydrophobicContact CB-CB 4.33Å; K600-L609 HydrophobicContact CD-CB 4.14Å; K600-L609 HydrophobicContact CD-CD1 4.3Å; K600-L609 HydrophobicContact CG-CB 4.18Å; K600-L609 HydrophobicContact CG-CD1 4.41Å; K600-L609 PolarHBondContact O-N 3.27Å; K600-L610 HydrophobicContact CB-CB 3.86Å; K600-L610 PolarHBondContact N-O 3.17Å
601	L	95.9	Very high	92.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.5	171.1	-47.4	-177.8	0	0	0	110.2	I555 M569 L573 F574 N587 Y588 F599 P608	I555-L601 HydrophobicContact CD1-CD1 3.79Å; M569-L601 HydrophobicContact SD-CD1 4.23Å; L573-L601 HydrophobicContact CD1-CD1 4.35Å; L573-L601 HydrophobicContact CD1-CD2 4.27Å; F574-L601 HydrophobicContact CZ-CD1 4.19Å; N587-L601 CarbonylContact C-O 3Å; N587-L601 WeakPolarHBondContact CA-O 3.34Å; N587-L601 WeakPolarHBondContact CB-O 3.31Å; Y588-L601 PolarHBondContact N-O 2.03Å; Y588-L601 PolarHBondContact O-N 2.82Å; F599-L601 HydrophobicContact CB-CD2 4.39Å; L601-P608 HydrophobicContact CD2-CB 4Å; L601-P608 HydrophobicContact CD2-CG 3.91Å
602	G	91	Very high	92.3	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.031	24%	0.236	C	C	.	.			trans	-78.8	156.2	164.8	0	0	0	0	0	110.7	D604 D605	G602-D604 VanDerWaalsContact C-N 3.31Å; G602-D604 PolarHBondContact O-N 2.85Å; G602-D605 PolarHBondContact O-N 3.42Å
603	A	76.1	Confident	92.2	Very high	47 Å²	47	46.7 Å²	46.7	39%	0.388	25%	0.245	S	C	.	.	S	Bend	trans	-64.4	-31.1	-173.2	0	0	0	0	0	114.7	M569 Y588	M569-A603 VanDerWaalsContact CE-O 3.23Å; M569-A603 WeakPolarHBondContact CE-O 3.5Å; Y588-A603 HydrophobicContact CE2-CB 3.94Å
604	D	75.4	Confident	92.1	Very high	162 Å²	162	48.9 Å²	48.9	87%	0.866	26%	0.259	S	S	*	.	S	Bend	trans	-107.9	-3.3	176.9	-67.6	-63.4	0	0	0	113	G602	G602-D604 VanDerWaalsContact C-N 3.31Å; G602-D604 PolarHBondContact O-N 2.85Å
605	D	76.4	Confident	92.1	Very high	88 Å²	88	51 Å²	51	47%	0.471	28%	0.276	S	S	.	.			trans	-85.1	137.2	-171.3	-74.3	-56.8	0	0	0	112.3	G602	G602-D605 PolarHBondContact O-N 3.42Å
606	K	74.6	Confident	91.9	Very high	181 Å²	181	52.2 Å²	52.2	79%	0.787	28%	0.283	S	S	*	.	S	Bend	trans	-89.1	-15.7	179.7	-65.4	-173.7	177.7	-176.8	0	114.2
607	E	85.6	Confident	91.8	Very high	141 Å²	141	57.4 Å²	57.4	66%	0.659	31%	0.307	S	S	*	.	S	Bend	trans	-122	145.4	-175.7	-59.7	-65.4	161.3	0	0	108.6	L609	E607-L609 PolarHBondContact O-N 3.34Å
608	P	93.6	Very high	91.7	Very high	34 Å²	34	58.2 Å²	58.2	22%	0.221	31%	0.314	C	S	.	.			trans	-61.9	133.6	178.1	-23.9	34.5	0	0	0	113.4	F599 K600 L601 L610 I611	F599-P608 HydrophobicContact CD1-CB 4.08Å; F599-P608 HydrophobicContact CD1-CG 3.77Å; F599-P608 HydrophobicContact CE1-CG 4.36Å; K600-P608 CarbonylContact O-C 3.53Å; K600-P608 WeakPolarHBondContact O-CA 3.33Å; L601-P608 HydrophobicContact CD2-CB 4Å; L601-P608 HydrophobicContact CD2-CG 3.91Å; P608-L610 VanDerWaalsContact C-N 3.33Å; P608-I611 HydrophobicContact CB-CD1 4.02Å; P608-I611 HydrophobicContact CB-CG1 3.63Å; P608-I611 HydrophobicContact CG-CD1 4.02Å; P608-I611 HydrophobicContact CG-CG1 4.14Å
609	L	95.4	Very high	91.6	Very high	89 Å²	89	59.1 Å²	59.1	47%	0.466	32%	0.324	S	S	.	.	S	Bend	trans	-71.9	-28.2	173.5	-63.4	178.8	0	0	0	112.4	N587 K600 E607	N587-L609 WeakPolarHBondContact OD1-CD1 3.36Å; K600-L609 HydrophobicContact CB-CB 4.33Å; K600-L609 HydrophobicContact CD-CB 4.14Å; K600-L609 HydrophobicContact CD-CD1 4.3Å; K600-L609 HydrophobicContact CG-CB 4.18Å; K600-L609 HydrophobicContact CG-CD1 4.41Å; K600-L609 PolarHBondContact O-N 3.27Å; E607-L609 PolarHBondContact O-N 3.34Å
610	L	96.3	Very high	91.4	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.209	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	144.8	175	-178.9	63.5	0	0	0	108.8	W589 F599 K600 P608 L612 I640	W589-L610 HydrophobicContact CH2-CD2 3.91Å; W589-L610 HydrophobicContact CZ3-CD2 4.1Å; F599-L610 WeakPolarHBondContact CA-O 3.45Å; K600-L610 HydrophobicContact CB-CB 3.86Å; K600-L610 PolarHBondContact N-O 3.17Å; P608-L610 VanDerWaalsContact C-N 3.33Å; L610-L612 HydrophobicContact CD1-CD2 4.17Å; L610-L612 HydrophobicContact CD2-CD2 4.16Å; L610-L612 HydrophobicContact CD2-CG 4.32Å; L610-L612 HydrophobicContact CG-CD2 4.15Å; L610-L612 HydrophobicContact CG-CG 4.33Å; L610-I640 HydrophobicContact CD2-CD1 4.03Å
611	I	97.8	Very high	91.3	Very high	78 Å²	78	64.4 Å²	64.4	40%	0.4	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.9	169.6	-47.1	177	0	0	0	107.7	Q597 V598 F599 P608	Q597-I611 HydrophobicContact CB-CG2 4.23Å; Q597-I611 HydrophobicContact CG-CG2 4.2Å; Q597-I611 VanDerWaalsContact NE2-CG2 3.32Å; V598-I611 WeakPolarHBondContact O-CA 3.47Å; F599-I611 HydrophobicContact CD1-CB 4.45Å; F599-I611 HydrophobicContact CD1-CD1 4.19Å; F599-I611 HydrophobicContact CD1-CG1 3.86Å; F599-I611 HydrophobicContact CD1-CG2 3.99Å; F599-I611 HydrophobicContact CE1-CD1 3.96Å; F599-I611 HydrophobicContact CE1-CG1 4.06Å; F599-I611 HydrophobicContact CE1-CG2 3.74Å; F599-I611 HydrophobicContact CZ-CG2 4.2Å; P608-I611 HydrophobicContact CB-CD1 4.02Å; P608-I611 HydrophobicContact CB-CG1 3.63Å; P608-I611 HydrophobicContact CG-CD1 4.02Å; P608-I611 HydrophobicContact CG-CG1 4.14Å
612	L	98.3	Very high	91.1	Very high	12 Å²	12	70.1 Å²	70.1	6%	0.063	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.7	173.3	-54.7	177.5	0	0	0	108.6	Q597 V598 L610 F625 I640 F654	Q597-L612 CarbonylContact C-O 3.58Å; Q597-L612 WeakPolarHBondContact CA-O 3.48Å; Q597-L612 WeakPolarHBondContact CB-O 3.32Å; Q597-L612 WeakPolarHBondContact CG-O 3.28Å; V598-L612 HydrophobicContact CB-CB 4.34Å; V598-L612 PolarHBondContact N-O 2.95Å; V598-L612 PolarHBondContact O-N 3.37Å; L610-L612 HydrophobicContact CD1-CD2 4.17Å; L610-L612 HydrophobicContact CD2-CD2 4.16Å; L610-L612 HydrophobicContact CD2-CG 4.32Å; L610-L612 HydrophobicContact CG-CD2 4.15Å; L610-L612 HydrophobicContact CG-CG 4.33Å; L612-F625 HydrophobicContact CB-CE2 3.7Å; L612-F625 HydrophobicContact CB-CZ 4.11Å; L612-I640 HydrophobicContact CD1-CD1 4.36Å; L612-F654 HydrophobicContact CD1-CD1 4.22Å; L612-F654 HydrophobicContact CD1-CD2 3.95Å; L612-F654 HydrophobicContact CD1-CE1 4.46Å; L612-F654 HydrophobicContact CD1-CE2 4.19Å; L612-F654 HydrophobicContact CD1-CG 3.99Å; L612-F654 HydrophobicContact CD1-CZ 4.44Å; L612-F654 HydrophobicContact CD2-CD1 4.42Å
613	G	96.8	Very high	91.2	Very high	19 Å²	19	75.4 Å²	75.4	20%	0.196	41%	0.413	C	S	.	.	S	Bend	trans	87.4	168.1	-170.6	0	0	0	0	0	112.9	Q597 N623	Q597-G613 PolarHBondContact NE2-O 3.49Å; G613-N623 WeakPolarHBondContact CA-O 3.46Å
614	T	96.1	Very high	92.2	Very high	47 Å²	47	75 Å²	75	29%	0.288	40%	0.403	S	S	.	.			trans	-114.1	121.1	177.3	-50.4	0	0	0	0	110.4	L616 Q617 H624	T614-L616 PolarHBondContact O-N 2.88Å; T614-Q617 HydrophobicContact CG2-CB 4.3Å; T614-Q617 VanDerWaalsContact CG2-NE2 3.27Å; T614-Q617 PolarHBondContact O-N 2.69Å; T614-Q617 VanDerWaalsContact O-N 3.16Å; T614-H624 VanDerWaalsContact CB-CD2 3.46Å; T614-H624 WeakPolarHBondContact CB-CD2 3.35Å; T614-H624 WeakPolarHBondContact CB-NE2 3.48Å; T614-H624 PolarHBondContact OG1-CD2 3.09Å; T614-H624 PolarHBondContact OG1-NE2 3.14Å
615	A	95.9	Very high	93.2	Very high	43 Å²	43	67.4 Å²	67.4	36%	0.355	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	127.3	-176.7	0	0	0	0	0	112.9	L595 Q597 Q617	L595-A615 HydrophobicContact CD2-CB 4.42Å; L595-A615 CarbonylContact O-C 3.58Å; L595-A615 VanDerWaalsContact O-CA 3.3Å; L595-A615 WeakPolarHBondContact O-CA 3.38Å; Q597-A615 VanDerWaalsContact CD-N 3.31Å; Q597-A615 VanDerWaalsContact NE2-N 3.13Å; A615-Q617 PolarHBondContact O-N 3.04Å; A615-Q617 PolarHBondContact O-NE2 2.98Å
616	L	94.3	Very high	94.2	Very high	39 Å²	39	63.6 Å²	63.6	20%	0.204	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	18.2	174.1	-60.4	173.5	0	0	0	114.7	Y542 R545 A594 L595 T614	Y542-L616 HydrophobicContact CD1-CD2 4.36Å; R545-L616 HydrophobicContact CG-CD1 4.5Å; R545-L616 HydrophobicContact CG-CD2 4.33Å; R545-L616 PolarHBondContact NH2-O 2.91Å; A594-L616 WeakPolarHBondContact O-CD2 3.47Å; L595-L616 HydrophobicContact CD2-CD2 3.95Å; L595-L616 HydrophobicContact CD2-CG 3.98Å; L595-L616 PolarHBondContact O-N 3.15Å; T614-L616 PolarHBondContact O-N 2.88Å
617	Q	95.9	Very high	95.3	Very high	109 Å²	109	55.3 Å²	55.3	51%	0.509	31%	0.306	S	S	.	.			trans	-126.5	100.2	179.8	-76.7	165.4	87.3	0	0	111.6	H596 T614 A615	H596-Q617 VanDerWaalsContact CD2-C 3.47Å; T614-Q617 HydrophobicContact CG2-CB 4.3Å; T614-Q617 VanDerWaalsContact CG2-NE2 3.27Å; T614-Q617 PolarHBondContact O-N 2.69Å; T614-Q617 VanDerWaalsContact O-N 3.16Å; A615-Q617 PolarHBondContact O-N 3.04Å; A615-Q617 PolarHBondContact O-NE2 2.98Å
618	P	96.5	Very high	95.9	Very high	39 Å²	39	48.6 Å²	48.6	25%	0.253	28%	0.275	S	S	.	.			trans	-72.5	147.3	178	28.4	-31.6	0	0	0	111.5	K539 F540 V541 H596 F625	K539-P618 WeakPolarHBondContact O-CG 3.18Å; F540-P618 HydrophobicContact CB-CB 4.43Å; V541-P618 HydrophobicContact CG2-CG 4.19Å; H596-P618 VanDerWaalsContact CD2-N 3.29Å; H596-P618 WeakPolarHBondContact NE2-CD 3.44Å; P618-F625 CarbonylContact C-O 3.54Å; P618-F625 WeakPolarHBondContact CA-O 3.43Å
619	G	95.3	Very high	96.1	Very high	20 Å²	20	47 Å²	47	21%	0.206	26%	0.264	C	S	.	.			trans	-174.4	174.7	176.3	0	0	0	0	0	114.6	F625 C626 N648	G619-F625 PolarHBondContact N-O 2.93Å; G619-F625 CarbonylContact O-C 3.57Å; G619-F625 WeakPolarHBondContact O-CA 3.13Å; G619-C626 PolarHBondContact O-N 3.2Å; G619-N648 PolarHBondContact O-ND2 3.29Å
620	S	95.2	Very high	96.3	Very high	80 Å²	80	43.2 Å²	43.2	56%	0.559	25%	0.245	S	C	*	.	S	Bend	trans	-125.1	11.4	-173.2	59.8	0	0	0	0	114	N648 R650	S620-N648 WeakPolarHBondContact CB-OD1 3.5Å; S620-R650 PolarHBondContact O-NH1 2.8Å; S620-R650 VanDerWaalsContact O-NH1 3.11Å
621	D	94.1	Very high	96.4	Very high	78 Å²	78	41.3 Å²	41.3	42%	0.417	24%	0.235	S	C	.	.	S	Bend	trans	-83.8	-167.5	176.1	73.7	37.6	0	0	0	112.6	N623 H624 R650	D621-N623 VanDerWaalsContact C-N 3.32Å; D621-N623 PolarHBondContact O-N 3.38Å; D621-N623 WeakPolarHBondContact OD1-CA 3.28Å; D621-N623 PolarHBondContact OD1-N 3.08Å; D621-H624 VanDerWaalsContact CG-ND1 3.28Å; D621-H624 IonicContact OD1-CG 3.19Å; D621-H624 PolarHBondContact OD1-N 2.68Å; D621-H624 IonicContact OD1-ND1 3.55Å; D621-H624 PolarHBondContact OD1-ND1 2.81Å; D621-H624 IonicContact OD2-CE1 2.71Å; D621-H624 IonicContact OD2-CG 2.98Å; D621-H624 IonicContact OD2-ND1 3.49Å; D621-H624 PolarHBondContact OD2-ND1 3.35Å; D621-R650 PolarHBondContact O-NH1 2.8Å; D621-R650 PolarHBondContact O-NH2 2.86Å
622	K	92.6	Very high	96.4	Very high	123 Å²	123	38 Å²	38	54%	0.535	22%	0.218	S	C	.	.	S	Bend	trans	-76.7	-15.1	-176.4	-60.7	-175	178.9	-178.1	0	114.9	Y660	K622-Y660 HydrophobicContact CB-CD1 4.49Å; K622-Y660 HydrophobicContact CB-CD2 3.72Å; K622-Y660 HydrophobicContact CB-CE2 4.05Å; K622-Y660 HydrophobicContact CB-CG 3.98Å; K622-Y660 HydrophobicContact CD-CD1 3.85Å; K622-Y660 HydrophobicContact CD-CD2 4.43Å; K622-Y660 HydrophobicContact CD-CE1 3.83Å; K622-Y660 HydrophobicContact CD-CE2 4.38Å; K622-Y660 HydrophobicContact CD-CG 4.18Å; K622-Y660 HydrophobicContact CG-CD1 4.25Å; K622-Y660 HydrophobicContact CG-CD2 3.94Å; K622-Y660 HydrophobicContact CG-CE1 4.14Å; K622-Y660 HydrophobicContact CG-CE2 3.79Å; K622-Y660 HydrophobicContact CG-CG 4.18Å
623	N	92.2	Very high	96.3	Very high	114 Å²	114	38.2 Å²	38.2	61%	0.61	22%	0.22	S	C	*	.	S	Bend	trans	-115.2	-21.2	-172.2	-57.5	-24.7	0	0	0	112.1	G613 D621	G613-N623 WeakPolarHBondContact CA-O 3.46Å; D621-N623 VanDerWaalsContact C-N 3.32Å; D621-N623 PolarHBondContact O-N 3.38Å; D621-N623 WeakPolarHBondContact OD1-CA 3.28Å; D621-N623 PolarHBondContact OD1-N 3.08Å
624	H	97.1	Very high	96.3	Very high	39 Å²	39	37.8 Å²	37.8	18%	0.181	21%	0.214	C	C	.	.			trans	-106.8	149.9	178.1	-61.5	94.5	0	0	0	111.9	T614 D621 R650	T614-H624 VanDerWaalsContact CB-CD2 3.46Å; T614-H624 WeakPolarHBondContact CB-CD2 3.35Å; T614-H624 WeakPolarHBondContact CB-NE2 3.48Å; T614-H624 PolarHBondContact OG1-CD2 3.09Å; T614-H624 PolarHBondContact OG1-NE2 3.14Å; D621-H624 VanDerWaalsContact CG-ND1 3.28Å; D621-H624 IonicContact OD1-CG 3.19Å; D621-H624 PolarHBondContact OD1-N 2.68Å; D621-H624 IonicContact OD1-ND1 3.55Å; D621-H624 PolarHBondContact OD1-ND1 2.81Å; D621-H624 IonicContact OD2-CE1 2.71Å; D621-H624 IonicContact OD2-CG 2.98Å; D621-H624 IonicContact OD2-ND1 3.49Å; D621-H624 PolarHBondContact OD2-ND1 3.35Å; H624-R650 PolarHBondContact O-NH2 3.44Å
625	F	98.4	Very high	96.1	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	22%	0.215	C	C	.	.			trans	-114.7	166.5	167.3	-60.6	-66.1	0	0	0	109.8	V598 L612 P618 G619 P628 V642 D644 V652 F654	V598-F625 HydrophobicContact CB-CE2 4.36Å; V598-F625 HydrophobicContact CG2-CD2 4.2Å; V598-F625 HydrophobicContact CG2-CE2 3.71Å; V598-F625 HydrophobicContact CG2-CZ 4.12Å; L612-F625 HydrophobicContact CB-CE2 3.7Å; L612-F625 HydrophobicContact CB-CZ 4.11Å; P618-F625 CarbonylContact C-O 3.54Å; P618-F625 WeakPolarHBondContact CA-O 3.43Å; G619-F625 PolarHBondContact N-O 2.93Å; G619-F625 CarbonylContact O-C 3.57Å; G619-F625 WeakPolarHBondContact O-CA 3.13Å; F625-P628 HydrophobicContact CB-CB 4.12Å; F625-P628 HydrophobicContact CB-CG 3.97Å; F625-P628 HydrophobicContact CD2-CG 4.29Å; F625-P628 HydrophobicContact CG-CB 4.18Å; F625-P628 HydrophobicContact CG-CG 4.25Å; F625-V642 HydrophobicContact CD1-CG1 4.27Å; F625-V642 HydrophobicContact CE1-CB 4.12Å; F625-V642 HydrophobicContact CE1-CG1 3.77Å; F625-V642 HydrophobicContact CZ-CB 4.28Å; F625-V642 HydrophobicContact CZ-CG1 4Å; F625-V642 HydrophobicContact CZ-CG2 4.16Å; F625-D644 WeakPolarHBondContact CB-OD1 3.33Å; F625-D644 HydrophobicContact CD1-CB 4.07Å; F625-V652 HydrophobicContact CE1-CB 4.4Å; F625-V652 HydrophobicContact CE1-CG2 4.33Å; F625-F654 AromaticContact CE1-CE2 3.89Å; F625-F654 HydrophobicContact CE1-CE2 3.89Å; F625-F654 AromaticContact CE1-CZ 3.82Å; F625-F654 HydrophobicContact CE1-CZ 3.82Å; F625-F654 AromaticContact CZ-CE2 3.61Å; F625-F654 HydrophobicContact CZ-CE2 3.61Å; F625-F654 AromaticContact CZ-CZ 3.51Å; F625-F654 HydrophobicContact CZ-CZ 3.51Å
626	C	96.8	Very high	96	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.054	23%	0.229	C	C	.	.	S	Bend	trans	-127.4	91.2	171.8	-159.2	0	0	0	0	108.3	G619 D644 C647 N648	G619-C626 PolarHBondContact O-N 3.2Å; C626-D644 PolarHBondContact N-OD1 2.87Å; C626-C647 VanDerWaalsContact CA-SG 3.52Å; C626-C647 HydrophobicContact CB-CB 4.01Å; C626-C647 WeakPolarHBondContact CB-SG 3.34Å; C626-C647 PolarHBondContact O-SG 3.07Å; C626-C647 WeakPolarHBondContact SG-CB 3.49Å; C626-C647 CovalentContact SG-SG 2.03Å; C626-C647 PolarHBondContact SG-SG 3.01Å; C626-N648 HydrophobicContact CB-CB 4.4Å; C626-N648 WeakPolarHBondContact CB-ND2 3.39Å; C626-N648 PolarHBondContact N-ND2 2.88Å
627	Q	97.5	Very high	95.9	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.033	24%	0.243	C	C	.	.	S	Bend	trans	53.8	71	-175.9	-64.1	174.2	-46.6	0	0	111.7	F536 V593 H596 T629 Y646 C647	F536-Q627 VanDerWaalsContact CD1-NE2 3.28Å; F536-Q627 VanDerWaalsContact CD2-NE2 3.26Å; F536-Q627 HydrophobicContact CE1-CG 4.13Å; F536-Q627 VanDerWaalsContact CE1-NE2 3.29Å; F536-Q627 VanDerWaalsContact CE2-NE2 3.28Å; F536-Q627 VanDerWaalsContact CG-NE2 3.26Å; F536-Q627 HydrophobicContact CZ-CG 4.33Å; F536-Q627 VanDerWaalsContact CZ-NE2 3.29Å; V593-Q627 HydrophobicContact CB-CB 3.99Å; V593-Q627 HydrophobicContact CB-CG 4.13Å; V593-Q627 HydrophobicContact CG1-CB 4.03Å; V593-Q627 WeakPolarHBondContact O-CG 3.5Å; H596-Q627 PolarHBondContact ND1-N 2.91Å; Q627-T629 PolarHBondContact O-N 2.77Å; Q627-Y646 HydrophobicContact CB-CD2 4.26Å; Q627-Y646 HydrophobicContact CB-CG 4.45Å; Q627-Y646 VanDerWaalsContact OE1-CB 3.25Å; Q627-C647 PolarHBondContact OE1-SG 2.84Å
628	P	98.3	Very high	95.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	132	-179.8	28.3	-32.6	0	0	0	110.3	T591 V593 V598 F625 V642 S643	T591-P628 WeakPolarHBondContact CB-O 3.36Å; T591-P628 HydrophobicContact CG2-CB 4.39Å; T591-P628 PolarHBondContact OG1-O 3.28Å; V593-P628 WeakPolarHBondContact CG1-O 3.05Å; V598-P628 HydrophobicContact CG2-CB 4.08Å; V598-P628 HydrophobicContact CG2-CG 4.15Å; F625-P628 HydrophobicContact CB-CB 4.12Å; F625-P628 HydrophobicContact CB-CG 3.97Å; F625-P628 HydrophobicContact CD2-CG 4.29Å; F625-P628 HydrophobicContact CG-CB 4.18Å; F625-P628 HydrophobicContact CG-CG 4.25Å; P628-V642 HydrophobicContact CB-CG1 3.95Å; P628-S643 CarbonylContact C-O 3.52Å; P628-S643 WeakPolarHBondContact CA-O 3.46Å
629	T	98.3	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-54.6	-172.5	47.8	0	0	0	0	110.8	H578 G579 T591 Q627 S643 Y646 P681 H682	H578-T629 PolarHBondContact ND1-O 2.91Å; G579-T629 WeakPolarHBondContact CA-O 3.39Å; G579-T629 PolarHBondContact N-O 2.73Å; G579-T629 VanDerWaalsContact N-O 3.17Å; T591-T629 PolarHBondContact OG1-O 3.07Å; Q627-T629 PolarHBondContact O-N 2.77Å; T629-S643 PolarHBondContact N-O 2.76Å; T629-S643 VanDerWaalsContact OG1-CB 3.28Å; T629-S643 WeakPolarHBondContact OG1-CB 3.16Å; T629-S643 PolarHBondContact OG1-O 3.13Å; T629-S643 VanDerWaalsContact OG1-O 3.09Å; T629-S643 PolarHBondContact OG1-OG 2.97Å; T629-Y646 HydrophobicContact CG2-CD2 3.5Å; T629-Y646 HydrophobicContact CG2-CE2 3.64Å; T629-Y646 HydrophobicContact CG2-CG 4.47Å; T629-P681 PolarHBondContact OG1-O 3.35Å; T629-H682 WeakPolarHBondContact CB-O 3.41Å
630	D	98.6	Very high	96	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	164.7	-170.6	-163.8	17.1	0	0	0	112.5	V642 S643 S683 L684	D630-V642 WeakPolarHBondContact O-CA 2.99Å; D630-S643 WeakPolarHBondContact CB-OG 3.33Å; D630-S643 PolarHBondContact N-OG 3.22Å; D630-S643 VanDerWaalsContact N-OG 3.13Å; D630-S643 PolarHBondContact O-N 3.02Å; D630-S643 PolarHBondContact O-OG 3.07Å; D630-S683 WeakPolarHBondContact OD2-CA 3.49Å; D630-L684 HydrophobicContact CB-CG 4.39Å; D630-L684 PolarHBondContact OD2-N 3.04Å
631	V	98.4	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	129.1	-175.5	54.5	0	0	0	0	111.1	S581 W589 T591 V598 V633 I640 Y641 V642	S581-V631 VanDerWaalsContact CB-O 3.24Å; S581-V631 WeakPolarHBondContact CB-O 3.34Å; S581-V631 PolarHBondContact OG-O 2.81Å; W589-V631 HydrophobicContact CB-CG1 3.74Å; W589-V631 HydrophobicContact CB-CG2 4.2Å; W589-V631 HydrophobicContact CE3-CG2 4.22Å; T591-V631 HydrophobicContact CG2-CB 4.24Å; T591-V631 HydrophobicContact CG2-CG1 4.02Å; V598-V631 HydrophobicContact CG1-CB 3.92Å; V598-V631 HydrophobicContact CG1-CG1 4.04Å; V598-V631 HydrophobicContact CG1-CG2 3.88Å; V631-V633 HydrophobicContact CG2-CG2 4.5Å; V631-I640 HydrophobicContact CG2-CG2 3.76Å; V631-Y641 CarbonylContact C-O 3.57Å; V631-Y641 VanDerWaalsContact CA-O 3.3Å; V631-Y641 WeakPolarHBondContact CA-O 3.24Å; V631-V642 HydrophobicContact CB-CG2 4.5Å; V631-V642 HydrophobicContact CG2-CG2 4.24Å
632	A	97.9	Very high	96.4	Very high	7 Å²	7	29.9 Å²	29.9	6%	0.058	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.7	174.4	0	0	0	0	0	111	Y641 L684 L686 L693	A632-Y641 PolarHBondContact N-O 2.91Å; A632-Y641 PolarHBondContact O-N 2.86Å; A632-L684 HydrophobicContact CB-CB 3.89Å; A632-L684 HydrophobicContact CB-CD1 4.25Å; A632-L686 HydrophobicContact CB-CD1 4.26Å; A632-L686 HydrophobicContact CB-CD2 4.47Å; A632-L686 HydrophobicContact CB-CG 4.05Å; A632-L693 HydrophobicContact CB-CD1 4.14Å
633	V	97.4	Very high	96.7	Very high	17 Å²	17	24 Å²	24	10%	0.103	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117	-176	-177.7	0	0	0	0	110.4	D583 W589 V631 P635 S639 I640 L686	D583-V633 HydrophobicContact CB-CB 4.18Å; D583-V633 HydrophobicContact CB-CG1 4.1Å; W589-V633 HydrophobicContact CD2-CG2 3.77Å; W589-V633 HydrophobicContact CE3-CG2 4.38Å; W589-V633 HydrophobicContact CG-CG2 3.9Å; W589-V633 HydrophobicContact CZ2-CG2 4.03Å; V631-V633 HydrophobicContact CG2-CG2 4.5Å; V633-P635 WeakPolarHBondContact O-CD 3.39Å; V633-S639 WeakPolarHBondContact CA-O 3.48Å; V633-I640 HydrophobicContact CG2-CG1 4.44Å; V633-I640 HydrophobicContact CG2-CG2 4.26Å; V633-L686 VanDerWaalsContact O-CD1 3.24Å; V633-L686 WeakPolarHBondContact O-CD1 3.31Å
634	D	95.6	Very high	97	Very high	10 Å²	10	18.6 Å²	18.6	5%	0.053	11%	0.109	C	C	.	.			trans	-61.9	119.1	-178.4	165.7	30.3	0	0	0	111	I636 T637 G638 S639 Y641	D634-I636 PolarHBondContact O-N 3.38Å; D634-I636 WeakPolarHBondContact OD1-CB 3.21Å; D634-I636 PolarHBondContact OD1-N 3.02Å; D634-T637 VanDerWaalsContact OD2-CB 3.23Å; D634-T637 WeakPolarHBondContact OD2-CB 3.5Å; D634-T637 WeakPolarHBondContact OD2-CG2 3.22Å; D634-T637 PolarHBondContact OD2-N 2.86Å; D634-T637 PolarHBondContact OD2-OG1 3.04Å; D634-G638 WeakPolarHBondContact O-CA 3.14Å; D634-G638 PolarHBondContact O-N 2.82Å; D634-S639 PolarHBondContact N-O 2.87Å; D634-Y641 HydrophobicContact CB-CE2 4.03Å
635	P	92.8	Very high	96.7	Very high	50 Å²	50	16.7 Å²	16.7	33%	0.325	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.8	179.2	28.4	-35.8	0	0	0	113.1	K584 V633	K584-P635 HydrophobicContact CB-CB 4.18Å; K584-P635 HydrophobicContact CD-CB 4.24Å; K584-P635 VanDerWaalsContact CD-O 3.24Å; K584-P635 WeakPolarHBondContact CD-O 3.44Å; K584-P635 WeakPolarHBondContact CE-O 3.38Å; K584-P635 HydrophobicContact CG-CB 4.42Å; K584-P635 PolarHBondContact NZ-O 2.98Å; V633-P635 WeakPolarHBondContact O-CD 3.39Å
636	I	92.3	Very high	96.4	Very high	126 Å²	126	19.1 Å²	19.1	65%	0.646	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-65.9	178	-56.2	179.8	0	0	0	110.2	D634	D634-I636 PolarHBondContact O-N 3.38Å; D634-I636 WeakPolarHBondContact OD1-CB 3.21Å; D634-I636 PolarHBondContact OD1-N 3.02Å
637	T	93.9	Very high	96.2	Very high	80 Å²	80	20.1 Å²	20.1	49%	0.491	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-21	-174.5	66.9	0	0	0	0	114.5	D634 S639 P656	D634-T637 VanDerWaalsContact OD2-CB 3.23Å; D634-T637 WeakPolarHBondContact OD2-CB 3.5Å; D634-T637 WeakPolarHBondContact OD2-CG2 3.22Å; D634-T637 PolarHBondContact OD2-N 2.86Å; D634-T637 PolarHBondContact OD2-OG1 3.04Å; T637-S639 VanDerWaalsContact C-N 3.27Å; T637-S639 WeakPolarHBondContact OG1-CB 3.25Å; T637-S639 PolarHBondContact OG1-N 2.79Å; T637-S639 VanDerWaalsContact OG1-N 3.11Å; T637-S639 PolarHBondContact OG1-OG 3.46Å; T637-P656 WeakPolarHBondContact O-CG 3.35Å
638	G	94.6	Very high	96.1	Very high	15 Å²	15	21.1 Å²	21.1	16%	0.155	12%	0.121	C	C	.	.			trans	75.4	10	-167.7	0	0	0	0	0	114.3	D634 P656	D634-G638 WeakPolarHBondContact O-CA 3.14Å; D634-G638 PolarHBondContact O-N 2.82Å; G638-P656 WeakPolarHBondContact O-CA 3.2Å; G638-P656 WeakPolarHBondContact O-CG 3.36Å
639	S	97	Very high	96	Very high	15 Å²	15	22 Å²	22	11%	0.105	13%	0.127	C	C	.	.			trans	-63.1	135.3	175.5	-61	0	0	0	0	110.6	V633 D634 T637 Y641	V633-S639 WeakPolarHBondContact CA-O 3.48Å; D634-S639 PolarHBondContact N-O 2.87Å; T637-S639 VanDerWaalsContact C-N 3.27Å; T637-S639 WeakPolarHBondContact OG1-CB 3.25Å; T637-S639 PolarHBondContact OG1-N 2.79Å; T637-S639 VanDerWaalsContact OG1-N 3.11Å; T637-S639 PolarHBondContact OG1-OG 3.46Å; S639-Y641 WeakPolarHBondContact O-CE2 3.32Å
640	I	98.3	Very high	96	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.3	-178.1	-47.4	158	0	0	0	107.6	W589 L610 L612 V631 V633 V642 Q653 F654 S655	W589-I640 HydrophobicContact CE3-CG2 4.41Å; W589-I640 HydrophobicContact CH2-CD1 3.35Å; W589-I640 HydrophobicContact CH2-CG1 3.67Å; W589-I640 HydrophobicContact CH2-CG2 4.48Å; W589-I640 HydrophobicContact CZ2-CD1 4.34Å; W589-I640 HydrophobicContact CZ2-CG1 4.27Å; W589-I640 HydrophobicContact CZ3-CD1 3.72Å; W589-I640 HydrophobicContact CZ3-CG1 4.08Å; W589-I640 HydrophobicContact CZ3-CG2 4.06Å; L610-I640 HydrophobicContact CD2-CD1 4.03Å; L612-I640 HydrophobicContact CD1-CD1 4.36Å; V631-I640 HydrophobicContact CG2-CG2 3.76Å; V633-I640 HydrophobicContact CG2-CG1 4.44Å; V633-I640 HydrophobicContact CG2-CG2 4.26Å; I640-V642 HydrophobicContact CG2-CG2 4.22Å; I640-Q653 CarbonylContact O-C 3.59Å; I640-Q653 VanDerWaalsContact O-CA 3.3Å; I640-Q653 WeakPolarHBondContact O-CA 3.28Å; I640-F654 HydrophobicContact CB-CB 4.23Å; I640-F654 HydrophobicContact CD1-CB 4.19Å; I640-F654 PolarHBondContact N-O 2.78Å; I640-F654 PolarHBondContact O-N 3.42Å; I640-S655 VanDerWaalsContact CD1-O 3.28Å; I640-S655 WeakPolarHBondContact CD1-O 3.44Å
641	Y	98.6	Very high	96	Very high	3 Å²	3	22 Å²	22	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.1	174.7	-55.6	-91.4	0	0	0	108	V631 A632 D634 S639 V652 Q653 W664 L684 L686 L693 L708	V631-Y641 CarbonylContact C-O 3.57Å; V631-Y641 VanDerWaalsContact CA-O 3.3Å; V631-Y641 WeakPolarHBondContact CA-O 3.24Å; A632-Y641 PolarHBondContact N-O 2.91Å; A632-Y641 PolarHBondContact O-N 2.86Å; D634-Y641 HydrophobicContact CB-CE2 4.03Å; S639-Y641 WeakPolarHBondContact O-CE2 3.32Å; Y641-V652 WeakPolarHBondContact CA-O 3.47Å; Y641-Q653 HydrophobicContact CD1-CB 4.15Å; Y641-Q653 HydrophobicContact CD1-CG 3.97Å; Y641-Q653 HydrophobicContact CE1-CB 4.23Å; Y641-Q653 HydrophobicContact CE1-CG 3.66Å; Y641-Q653 PolarHBondContact OH-NE2 2.84Å; Y641-W664 AromaticContact CD1-CH2 3.85Å; Y641-W664 HydrophobicContact CD1-CH2 3.85Å; Y641-W664 HydrophobicContact CE1-CH2 4.05Å; Y641-L684 WeakPolarHBondContact O-CD1 3.41Å; Y641-L686 HydrophobicContact CD2-CD2 4.47Å; Y641-L693 HydrophobicContact CD1-CD2 3.9Å; Y641-L693 HydrophobicContact CG-CD2 3.95Å; Y641-L708 HydrophobicContact CD2-CD2 4.46Å; Y641-L708 HydrophobicContact CE1-CD2 4.22Å; Y641-L708 HydrophobicContact CE2-CD2 3.76Å; Y641-L708 PolarHBondContact OH-O 2.96Å
642	V	98.7	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.4	179.3	178.8	0	0	0	0	108.5	V598 F625 P628 D630 V631 I640 I651 V652 F654	V598-V642 HydrophobicContact CG1-CG2 4.38Å; V598-V642 HydrophobicContact CG2-CG1 3.72Å; V598-V642 HydrophobicContact CG2-CG2 3.99Å; F625-V642 HydrophobicContact CD1-CG1 4.27Å; F625-V642 HydrophobicContact CE1-CB 4.12Å; F625-V642 HydrophobicContact CE1-CG1 3.77Å; F625-V642 HydrophobicContact CZ-CB 4.28Å; F625-V642 HydrophobicContact CZ-CG1 4Å; F625-V642 HydrophobicContact CZ-CG2 4.16Å; P628-V642 HydrophobicContact CB-CG1 3.95Å; D630-V642 WeakPolarHBondContact O-CA 2.99Å; V631-V642 HydrophobicContact CB-CG2 4.5Å; V631-V642 HydrophobicContact CG2-CG2 4.24Å; I640-V642 HydrophobicContact CG2-CG2 4.22Å; V642-I651 CarbonylContact O-C 3.46Å; V642-I651 WeakPolarHBondContact O-CA 3.4Å; V642-V652 PolarHBondContact N-O 2.83Å; V642-V652 PolarHBondContact O-N 2.91Å; V642-F654 HydrophobicContact CB-CE2 4.48Å; V642-F654 HydrophobicContact CG2-CD2 4.32Å; V642-F654 HydrophobicContact CG2-CE2 4.09Å
643	S	98.4	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.6	166.1	49.7	0	0	0	0	109.3	P628 T629 D630	P628-S643 CarbonylContact C-O 3.52Å; P628-S643 WeakPolarHBondContact CA-O 3.46Å; T629-S643 PolarHBondContact N-O 2.76Å; T629-S643 VanDerWaalsContact OG1-CB 3.28Å; T629-S643 WeakPolarHBondContact OG1-CB 3.16Å; T629-S643 PolarHBondContact OG1-O 3.13Å; T629-S643 VanDerWaalsContact OG1-O 3.09Å; T629-S643 PolarHBondContact OG1-OG 2.97Å; D630-S643 WeakPolarHBondContact CB-OG 3.33Å; D630-S643 PolarHBondContact N-OG 3.22Å; D630-S643 VanDerWaalsContact N-OG 3.13Å; D630-S643 PolarHBondContact O-N 3.02Å; D630-S643 PolarHBondContact O-OG 3.07Å
644	D	97.8	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	98.2	-173.5	-177.1	28.6	0	0	0	107.5	F625 C626 N648 S649 R650 V652	F625-D644 WeakPolarHBondContact CB-OD1 3.33Å; F625-D644 HydrophobicContact CD1-CB 4.07Å; C626-D644 PolarHBondContact N-OD1 2.87Å; D644-N648 HydrophobicContact CB-CB 4.39Å; D644-N648 CarbonylContact O-C 3.54Å; D644-N648 WeakPolarHBondContact O-CB 3.31Å; D644-N648 PolarHBondContact OD2-ND2 3.02Å; D644-S649 PolarHBondContact O-N 3.09Å; D644-R650 HydrophobicContact CB-CG 3.96Å; D644-R650 PolarHBondContact N-O 3.19Å; D644-R650 PolarHBondContact O-N 2.84Å; D644-R650 IonicContact OD2-CZ 2.65Å; D644-R650 IonicContact OD2-NE 3.94Å; D644-R650 PolarHBondContact OD2-NE 2.9Å; D644-R650 IonicContact OD2-NH2 3.66Å; D644-R650 PolarHBondContact OD2-NH2 2.89Å; D644-V652 HydrophobicContact CB-CG2 4.47Å
645	G	90.4	Very high	96	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.			trans	-137.5	-31.4	-136.7	0	0	0	0	0	118.8	N648 I680	G645-N648 CarbonylContact C-O 3.57Å; G645-N648 VanDerWaalsContact CA-O 3.29Å; G645-N648 WeakPolarHBondContact CA-O 3.17Å; G645-I680 VanDerWaalsContact O-CA 3.27Å; G645-I680 WeakPolarHBondContact O-CA 3.39Å
646	Y	93	Very high	96.2	Very high	54 Å²	54	23 Å²	23	21%	0.212	13%	0.133	C	C	.	.	S	Bend	trans	-77.8	-34.5	179.3	-80.9	-82.8	0	0	0	112.8	W531 H578 Q627 T629 I680 H682	W531-Y646 HydrophobicContact CH2-CD1 4.28Å; W531-Y646 AromaticContact CH2-CD2 3.54Å; W531-Y646 HydrophobicContact CH2-CD2 3.54Å; W531-Y646 HydrophobicContact CH2-CE1 4.09Å; W531-Y646 AromaticContact CH2-CE2 3.28Å; W531-Y646 HydrophobicContact CH2-CE2 3.28Å; W531-Y646 HydrophobicContact CH2-CG 4.01Å; W531-Y646 AromaticContact CH2-CZ 3.57Å; W531-Y646 HydrophobicContact CZ2-CD1 4.4Å; W531-Y646 HydrophobicContact CZ2-CD2 4.36Å; W531-Y646 HydrophobicContact CZ2-CE1 4.32Å; W531-Y646 HydrophobicContact CZ2-CE2 4.25Å; W531-Y646 HydrophobicContact CZ2-CG 4.4Å; W531-Y646 HydrophobicContact CZ3-CD2 4.37Å; W531-Y646 AromaticContact CZ3-CE2 3.74Å; W531-Y646 HydrophobicContact CZ3-CE2 3.74Å; H578-Y646 AromaticContact CD2-CE2 3.89Å; H578-Y646 AromaticContact NE2-CE2 3.52Å; H578-Y646 AromaticContact NE2-CZ 3.83Å; H578-Y646 PolarHBondContact NE2-OH 2.8Å; Q627-Y646 HydrophobicContact CB-CD2 4.26Å; Q627-Y646 HydrophobicContact CB-CG 4.45Å; Q627-Y646 VanDerWaalsContact OE1-CB 3.25Å; T629-Y646 HydrophobicContact CG2-CD2 3.5Å; T629-Y646 HydrophobicContact CG2-CE2 3.64Å; T629-Y646 HydrophobicContact CG2-CG 4.47Å; Y646-I680 HydrophobicContact CD1-CD1 4Å; Y646-I680 HydrophobicContact CD1-CG2 4.27Å; Y646-I680 HydrophobicContact CE1-CD1 4.38Å; Y646-I680 HydrophobicContact CE1-CG2 4.4Å; Y646-I680 HydrophobicContact CG-CG2 4.48Å; Y646-H682 PolarHBondContact OH-NE2 2.85Å
647	C	92.7	Very high	96.3	Very high	28 Å²	28	23.4 Å²	23.4	19%	0.189	14%	0.136	C	C	.	.	S	Bend	trans	-130.6	10.2	177.2	48.2	0	0	0	0	114.3	F540 C626 Q627	F540-C647 HydrophobicContact CB-CB 4.28Å; F540-C647 WeakPolarHBondContact CB-SG 3.12Å; F540-C647 HydrophobicContact CD1-CB 3.52Å; F540-C647 HydrophobicContact CD2-CB 3.34Å; F540-C647 HydrophobicContact CE1-CB 3.57Å; F540-C647 HydrophobicContact CE2-CB 3.39Å; F540-C647 HydrophobicContact CG-CB 3.41Å; F540-C647 VanDerWaalsContact CG-CB 3.41Å; F540-C647 WeakPolarHBondContact CG-SG 3.43Å; F540-C647 HydrophobicContact CZ-CB 3.5Å; C626-C647 VanDerWaalsContact CA-SG 3.52Å; C626-C647 HydrophobicContact CB-CB 4.01Å; C626-C647 WeakPolarHBondContact CB-SG 3.34Å; C626-C647 PolarHBondContact O-SG 3.07Å; C626-C647 WeakPolarHBondContact SG-CB 3.49Å; C626-C647 CovalentContact SG-SG 2.03Å; C626-C647 PolarHBondContact SG-SG 3.01Å; Q627-C647 PolarHBondContact OE1-SG 2.84Å
648	N	95.8	Very high	96.4	Very high	28 Å²	28	20.2 Å²	20.2	15%	0.15	12%	0.119	C	C	.	.			trans	-125.7	174.9	160	-79.3	-40	0	0	0	107.9	G619 S620 C626 D644 G645 R650	G619-N648 PolarHBondContact O-ND2 3.29Å; S620-N648 WeakPolarHBondContact CB-OD1 3.5Å; C626-N648 HydrophobicContact CB-CB 4.4Å; C626-N648 WeakPolarHBondContact CB-ND2 3.39Å; C626-N648 PolarHBondContact N-ND2 2.88Å; D644-N648 HydrophobicContact CB-CB 4.39Å; D644-N648 CarbonylContact O-C 3.54Å; D644-N648 WeakPolarHBondContact O-CB 3.31Å; D644-N648 PolarHBondContact OD2-ND2 3.02Å; G645-N648 CarbonylContact C-O 3.57Å; G645-N648 VanDerWaalsContact CA-O 3.29Å; G645-N648 WeakPolarHBondContact CA-O 3.17Å; N648-R650 HydrophobicContact CB-CG 4.35Å
649	S	96.1	Very high	96.5	Very high	18 Å²	18	25.2 Å²	25.2	13%	0.126	14%	0.141	C	C	.	.			trans	-140.1	58.3	174	-80.8	0	0	0	0	110.7	D644 G665 E666	D644-S649 PolarHBondContact O-N 3.09Å; S649-G665 CarbonylContact O-C 3.56Å; S649-G665 WeakPolarHBondContact O-CA 3.44Å; S649-E666 PolarHBondContact O-N 3.13Å
650	R	97.1	Very high	96.5	Very high	10 Å²	10	27.5 Å²	27.5	4%	0.038	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.5	-174.5	66.8	-177.7	175.7	159.1	-3.2	113.1	S620 D621 H624 D644 N648 V652 W664	S620-R650 PolarHBondContact O-NH1 2.8Å; S620-R650 VanDerWaalsContact O-NH1 3.11Å; D621-R650 PolarHBondContact O-NH1 2.8Å; D621-R650 PolarHBondContact O-NH2 2.86Å; H624-R650 PolarHBondContact O-NH2 3.44Å; D644-R650 HydrophobicContact CB-CG 3.96Å; D644-R650 PolarHBondContact N-O 3.19Å; D644-R650 PolarHBondContact O-N 2.84Å; D644-R650 IonicContact OD2-CZ 2.65Å; D644-R650 IonicContact OD2-NE 3.94Å; D644-R650 PolarHBondContact OD2-NE 2.9Å; D644-R650 IonicContact OD2-NH2 3.66Å; D644-R650 PolarHBondContact OD2-NH2 2.89Å; N648-R650 HydrophobicContact CB-CG 4.35Å; R650-V652 HydrophobicContact CG-CG2 3.87Å; R650-W664 CarbonylContact C-O 3.54Å; R650-W664 VanDerWaalsContact CA-O 3.3Å; R650-W664 WeakPolarHBondContact CA-O 3.39Å
651	I	98.4	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.4	159	-52.1	-51.4	0	0	0	107.8	V642 Q663 W664 F678 P681 L684 L693 V695	V642-I651 CarbonylContact O-C 3.46Å; V642-I651 WeakPolarHBondContact O-CA 3.4Å; I651-Q663 CarbonylContact O-C 3.56Å; I651-Q663 WeakPolarHBondContact O-CA 3.3Å; I651-Q663 WeakPolarHBondContact O-CB 3.46Å; I651-W664 HydrophobicContact CB-CD2 4.14Å; I651-W664 HydrophobicContact CB-CH2 4.34Å; I651-W664 HydrophobicContact CB-CZ2 3.94Å; I651-W664 HydrophobicContact CG1-CZ2 4.44Å; I651-W664 HydrophobicContact CG2-CH2 3.77Å; I651-W664 HydrophobicContact CG2-CZ2 3.68Å; I651-W664 HydrophobicContact CG2-CZ3 4.25Å; I651-W664 PolarHBondContact N-O 2.98Å; I651-W664 PolarHBondContact O-N 3.43Å; I651-F678 HydrophobicContact CD1-CZ 4.4Å; I651-F678 HydrophobicContact CG1-CE2 4.05Å; I651-F678 HydrophobicContact CG1-CZ 3.92Å; I651-P681 HydrophobicContact CD1-CB 4.08Å; I651-L684 HydrophobicContact CD1-CD2 3.99Å; I651-L693 HydrophobicContact CG2-CD2 3.92Å; I651-V695 HydrophobicContact CD1-CG1 4.09Å; I651-V695 HydrophobicContact CD1-CG2 4.05Å; I651-V695 HydrophobicContact CG1-CG2 4.17Å
652	V	98.1	Very high	96.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	177.2	-167.3	0	0	0	0	109.3	F625 Y641 V642 D644 R650 F654 Y660 Q663	F625-V652 HydrophobicContact CE1-CB 4.4Å; F625-V652 HydrophobicContact CE1-CG2 4.33Å; Y641-V652 WeakPolarHBondContact CA-O 3.47Å; V642-V652 PolarHBondContact N-O 2.83Å; V642-V652 PolarHBondContact O-N 2.91Å; D644-V652 HydrophobicContact CB-CG2 4.47Å; R650-V652 HydrophobicContact CG-CG2 3.87Å; V652-F654 HydrophobicContact CB-CE2 3.78Å; V652-F654 HydrophobicContact CB-CZ 4.25Å; V652-F654 HydrophobicContact CG1-CD2 4.18Å; V652-F654 HydrophobicContact CG1-CE1 4.35Å; V652-F654 HydrophobicContact CG1-CE2 3.41Å; V652-F654 VanDerWaalsContact CG1-CE2 3.41Å; V652-F654 HydrophobicContact CG1-CZ 3.5Å; V652-Y660 HydrophobicContact CG1-CD2 3.77Å; V652-Y660 HydrophobicContact CG1-CE2 3.75Å; V652-Q663 HydrophobicContact CG1-CB 4.44Å; V652-Q663 HydrophobicContact CG2-CB 4.21Å
653	Q	98.1	Very high	96.2	Very high	12 Å²	12	37.2 Å²	37.2	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131.6	177.4	-173.7	-172.1	38.9	0	0	110.5	I640 Y641 I661 K662 W664 L708	I640-Q653 CarbonylContact O-C 3.59Å; I640-Q653 VanDerWaalsContact O-CA 3.3Å; I640-Q653 WeakPolarHBondContact O-CA 3.28Å; Y641-Q653 HydrophobicContact CD1-CB 4.15Å; Y641-Q653 HydrophobicContact CD1-CG 3.97Å; Y641-Q653 HydrophobicContact CE1-CB 4.23Å; Y641-Q653 HydrophobicContact CE1-CG 3.66Å; Y641-Q653 PolarHBondContact OH-NE2 2.84Å; Q653-I661 HydrophobicContact CG-CB 4.43Å; Q653-I661 HydrophobicContact CG-CD1 4.3Å; Q653-I661 WeakPolarHBondContact O-CB 3.4Å; Q653-I661 PolarHBondContact O-N 3.23Å; Q653-K662 HydrophobicContact CB-CG 4.07Å; Q653-K662 PolarHBondContact N-O 3.35Å; Q653-K662 PolarHBondContact O-N 2.65Å; Q653-W664 HydrophobicContact CB-CZ3 4.11Å; Q653-L708 PolarHBondContact NE2-O 2.93Å
654	F	98.1	Very high	96.1	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.7	173.3	-54.8	-100.9	0	0	0	110.5	L612 F625 I640 V642 V652 G658 L659 Y660	L612-F654 HydrophobicContact CD1-CD1 4.22Å; L612-F654 HydrophobicContact CD1-CD2 3.95Å; L612-F654 HydrophobicContact CD1-CE1 4.46Å; L612-F654 HydrophobicContact CD1-CE2 4.19Å; L612-F654 HydrophobicContact CD1-CG 3.99Å; L612-F654 HydrophobicContact CD1-CZ 4.44Å; L612-F654 HydrophobicContact CD2-CD1 4.42Å; F625-F654 AromaticContact CE1-CE2 3.89Å; F625-F654 HydrophobicContact CE1-CE2 3.89Å; F625-F654 AromaticContact CE1-CZ 3.82Å; F625-F654 HydrophobicContact CE1-CZ 3.82Å; F625-F654 AromaticContact CZ-CE2 3.61Å; F625-F654 HydrophobicContact CZ-CE2 3.61Å; F625-F654 AromaticContact CZ-CZ 3.51Å; F625-F654 HydrophobicContact CZ-CZ 3.51Å; I640-F654 HydrophobicContact CB-CB 4.23Å; I640-F654 HydrophobicContact CD1-CB 4.19Å; I640-F654 PolarHBondContact N-O 2.78Å; I640-F654 PolarHBondContact O-N 3.42Å; V642-F654 HydrophobicContact CB-CE2 4.48Å; V642-F654 HydrophobicContact CG2-CD2 4.32Å; V642-F654 HydrophobicContact CG2-CE2 4.09Å; V652-F654 HydrophobicContact CB-CE2 3.78Å; V652-F654 HydrophobicContact CB-CZ 4.25Å; V652-F654 HydrophobicContact CG1-CD2 4.18Å; V652-F654 HydrophobicContact CG1-CE1 4.35Å; V652-F654 HydrophobicContact CG1-CE2 3.41Å; V652-F654 VanDerWaalsContact CG1-CE2 3.41Å; V652-F654 HydrophobicContact CG1-CZ 3.5Å; F654-G658 WeakPolarHBondContact CD1-O 3.45Å; F654-L659 CarbonylContact C-O 3.52Å; F654-L659 WeakPolarHBondContact CA-O 3.48Å; F654-Y660 HydrophobicContact CE1-CD2 4.46Å
655	S	96.9	Very high	95.8	Very high	21 Å²	21	40 Å²	40	15%	0.147	21%	0.214	C	C	.	.			trans	-68.6	164.7	168.6	65.7	0	0	0	0	111.4	I640 N657 G658 L659	I640-S655 VanDerWaalsContact CD1-O 3.28Å; I640-S655 WeakPolarHBondContact CD1-O 3.44Å; S655-N657 PolarHBondContact O-N 3.36Å; S655-G658 PolarHBondContact O-N 3.4Å; S655-L659 PolarHBondContact N-O 3.13Å; S655-L659 WeakPolarHBondContact OG-CB 3.23Å; S655-L659 PolarHBondContact OG-N 2.8Å; S655-L659 VanDerWaalsContact OG-N 3.14Å; S655-L659 PolarHBondContact OG-O 3.15Å
656	P	95.7	Very high	95.8	Very high	65 Å²	65	46.4 Å²	46.4	42%	0.422	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.1	176.7	-23.1	29.5	0	0	0	114.9	T637 G638	T637-P656 WeakPolarHBondContact O-CG 3.35Å; G638-P656 WeakPolarHBondContact O-CA 3.2Å; G638-P656 WeakPolarHBondContact O-CG 3.36Å
657	N	95	Very high	95.6	Very high	133 Å²	133	50.7 Å²	50.7	71%	0.711	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	12.5	180	-60	-24	0	0	0	113	S655 L659	S655-N657 PolarHBondContact O-N 3.36Å; N657-L659 VanDerWaalsContact C-N 3.33Å; N657-L659 PolarHBondContact O-N 2.04Å
658	G	95.8	Very high	95.2	Very high	13 Å²	13	50.8 Å²	50.8	13%	0.134	27%	0.265	C	S	.	.	S	Bend	trans	77.9	5.2	177.9	0	0	0	0	0	116.4	F654 S655	F654-G658 WeakPolarHBondContact CD1-O 3.45Å; S655-G658 PolarHBondContact O-N 3.4Å
659	L	96.7	Very high	94.1	Very high	120 Å²	120	51.5 Å²	51.5	63%	0.628	27%	0.273	S	S	*	.			trans	-76.2	127.9	174.6	-52.7	175.6	0	0	0	110.5	F654 S655 N657 I661	F654-L659 CarbonylContact C-O 3.52Å; F654-L659 WeakPolarHBondContact CA-O 3.48Å; S655-L659 PolarHBondContact N-O 3.13Å; S655-L659 WeakPolarHBondContact OG-CB 3.23Å; S655-L659 PolarHBondContact OG-N 2.8Å; S655-L659 VanDerWaalsContact OG-N 3.14Å; S655-L659 PolarHBondContact OG-O 3.15Å; N657-L659 VanDerWaalsContact C-N 3.33Å; N657-L659 PolarHBondContact O-N 2.04Å; L659-I661 PolarHBondContact O-N 2.87Å
660	Y	97.4	Very high	92.4	Very high	63 Å²	63	59.4 Å²	59.4	25%	0.247	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	132.6	174.2	174.1	-77.8	0	0	0	111.3	K622 V652 F654 Q663	K622-Y660 HydrophobicContact CB-CD1 4.49Å; K622-Y660 HydrophobicContact CB-CD2 3.72Å; K622-Y660 HydrophobicContact CB-CE2 4.05Å; K622-Y660 HydrophobicContact CB-CG 3.98Å; K622-Y660 HydrophobicContact CD-CD1 3.85Å; K622-Y660 HydrophobicContact CD-CD2 4.43Å; K622-Y660 HydrophobicContact CD-CE1 3.83Å; K622-Y660 HydrophobicContact CD-CE2 4.38Å; K622-Y660 HydrophobicContact CD-CG 4.18Å; K622-Y660 HydrophobicContact CG-CD1 4.25Å; K622-Y660 HydrophobicContact CG-CD2 3.94Å; K622-Y660 HydrophobicContact CG-CE1 4.14Å; K622-Y660 HydrophobicContact CG-CE2 3.79Å; K622-Y660 HydrophobicContact CG-CG 4.18Å; V652-Y660 HydrophobicContact CG1-CD2 3.77Å; V652-Y660 HydrophobicContact CG1-CE2 3.75Å; F654-Y660 HydrophobicContact CE1-CD2 4.46Å; Y660-Q663 HydrophobicContact CE2-CB 4.41Å; Y660-Q663 PolarHBondContact OH-N 3.42Å
661	I	96.9	Very high	90.6	Very high	84 Å²	84	66.2 Å²	66.2	43%	0.431	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-63	173.5	-61.6	177.7	0	0	0	109.8	Q653 L659	Q653-I661 HydrophobicContact CG-CB 4.43Å; Q653-I661 HydrophobicContact CG-CD1 4.3Å; Q653-I661 WeakPolarHBondContact O-CB 3.4Å; Q653-I661 PolarHBondContact O-N 3.23Å; L659-I661 PolarHBondContact O-N 2.87Å
662	K	95.6	Very high	89.1	Confident	43 Å²	43	76.2 Å²	76.2	19%	0.187	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	171.9	-174.8	72	-171.8	-171	-162.1	0	111.1	Q653 W664 E709 T710	Q653-K662 HydrophobicContact CB-CG 4.07Å; Q653-K662 PolarHBondContact N-O 3.35Å; Q653-K662 PolarHBondContact O-N 2.65Å; K662-W664 HydrophobicContact CD-CE3 4.44Å; K662-W664 HydrophobicContact CD-CZ3 4.35Å; K662-W664 HydrophobicContact CG-CE3 4.26Å; K662-W664 HydrophobicContact CG-CZ3 4.2Å; K662-E709 PolarHBondContact NZ-O 2.8Å; K662-T710 PolarHBondContact NZ-O 3.3Å
663	Q	96.3	Very high	88.3	Confident	80 Å²	80	77.8 Å²	77.8	37%	0.374	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.3	166.5	73.2	-173	42.2	0	0	110	I651 V652 Y660	I651-Q663 CarbonylContact O-C 3.56Å; I651-Q663 WeakPolarHBondContact O-CA 3.3Å; I651-Q663 WeakPolarHBondContact O-CB 3.46Å; V652-Q663 HydrophobicContact CG1-CB 4.44Å; V652-Q663 HydrophobicContact CG2-CB 4.21Å; Y660-Q663 HydrophobicContact CE2-CB 4.41Å; Y660-Q663 PolarHBondContact OH-N 3.42Å
664	W	96.2	Very high	87.8	Confident	33 Å²	33	84.9 Å²	84.9	13%	0.125	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.6	168.8	66.5	97.7	0	0	0	110.2	Y641 R650 I651 Q653 K662 L693 F706	Y641-W664 AromaticContact CD1-CH2 3.85Å; Y641-W664 HydrophobicContact CD1-CH2 3.85Å; Y641-W664 HydrophobicContact CE1-CH2 4.05Å; R650-W664 CarbonylContact C-O 3.54Å; R650-W664 VanDerWaalsContact CA-O 3.3Å; R650-W664 WeakPolarHBondContact CA-O 3.39Å; I651-W664 HydrophobicContact CB-CD2 4.14Å; I651-W664 HydrophobicContact CB-CH2 4.34Å; I651-W664 HydrophobicContact CB-CZ2 3.94Å; I651-W664 HydrophobicContact CG1-CZ2 4.44Å; I651-W664 HydrophobicContact CG2-CH2 3.77Å; I651-W664 HydrophobicContact CG2-CZ2 3.68Å; I651-W664 HydrophobicContact CG2-CZ3 4.25Å; I651-W664 PolarHBondContact N-O 2.98Å; I651-W664 PolarHBondContact O-N 3.43Å; Q653-W664 HydrophobicContact CB-CZ3 4.11Å; K662-W664 HydrophobicContact CD-CE3 4.44Å; K662-W664 HydrophobicContact CD-CZ3 4.35Å; K662-W664 HydrophobicContact CG-CE3 4.26Å; K662-W664 HydrophobicContact CG-CZ3 4.2Å; W664-L693 HydrophobicContact CZ2-CD2 4.18Å; W664-F706 AromaticContact CD1-CD1 3.78Å; W664-F706 AromaticContact CD1-CE1 3.82Å; W664-F706 HydrophobicContact CZ2-CB 4.27Å; W664-F706 AromaticContact NE1-CD1 3.35Å; W664-F706 AromaticContact NE1-CD2 3.98Å; W664-F706 AromaticContact NE1-CE1 3.72Å; W664-F706 AromaticContact NE1-CG 3.51Å
665	G	92.6	Very high	87.4	Confident	26 Å²	26	88.4 Å²	88.4	27%	0.268	45%	0.451	S	S	.	.			trans	115.5	141	-171.6	0	0	0	0	0	112	S649 G676	S649-G665 CarbonylContact O-C 3.56Å; S649-G665 WeakPolarHBondContact O-CA 3.44Å; G665-G676 WeakPolarHBondContact CA-O 3.46Å
666	E	88.8	Confident	87.1	Confident	134 Å²	134	88.4 Å²	88.4	63%	0.626	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.4	173.7	-69	178.9	177	0	0	108.6	S649 G676 Q677 F678	S649-E666 PolarHBondContact O-N 3.13Å; E666-G676 PolarHBondContact N-O 2.95Å; E666-Q677 HydrophobicContact CB-CG 4.1Å; E666-Q677 CarbonylContact O-C 3.59Å; E666-Q677 VanDerWaalsContact O-CA 3.23Å; E666-Q677 WeakPolarHBondContact O-CA 3.35Å; E666-F678 PolarHBondContact O-N 3.28Å
667	E	88.9	Confident	87.1	Confident	145 Å²	145	86.1 Å²	86.1	68%	0.678	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	147.5	175.4	-170.8	175.7	-167	0	0	111.8	S669 Q677 F678	E667-S669 PolarHBondContact O-N 2.93Å; E667-Q677 PolarHBondContact O-NE2 2.85Å; E667-F678 CarbonylContact C-O 3.58Å
668	T	84.4	Confident	87.1	Confident	29 Å²	29	79.8 Å²	79.8	18%	0.178	40%	0.404	C	S	.	.			trans	-73.7	112.6	179.3	-68	0	0	0	0	111.6	A673 F678 N700	T668-A673 HydrophobicContact CG2-CB 3.65Å; T668-F678 WeakPolarHBondContact CB-O 3.42Å; T668-F678 PolarHBondContact N-O 2.85Å; T668-F678 PolarHBondContact OG1-O 3.13Å; T668-N700 PolarHBondContact OG1-ND2 2.65Å
669	S	73.2	Confident	87	Confident	44 Å²	44	82.8 Å²	82.8	31%	0.308	41%	0.414	S	S	.	.			trans	-65.2	134.2	172.1	55.8	0	0	0	0	112.2	E667 D671 R672	E667-S669 PolarHBondContact O-N 2.93Å; S669-D671 PolarHBondContact O-N 2.99Å; S669-R672 PolarHBondContact O-N 2.97Å
670	L	60.6	Low	86.9	Confident	183 Å²	183	77.9 Å²	77.9	96%	0.958	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.5	-35.8	-173.2	-72.2	164.5	0	0	0	116.7
671	D	58.1	Low	86.9	Confident	153 Å²	153	74.9 Å²	74.9	82%	0.818	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-46.6	-172.2	-58.4	-46.5	0	0	0	113.7	S669	S669-D671 PolarHBondContact O-N 2.99Å
672	R	67.8	Low	87	Confident	210 Å²	210	71.1 Å²	71.1	79%	0.792	36%	0.357	S	S	*	.			trans	-161.3	131.3	178.8	-65.1	-167.1	-176.6	-176.8	0.9	111.5	S669	S669-R672 PolarHBondContact O-N 2.97Å
673	A	80.7	Confident	87.1	Confident	35 Å²	35	69.3 Å²	69.3	29%	0.289	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-64.1	130.8	167.1	0	0	0	0	0	111.8	T668 N700	T668-A673 HydrophobicContact CG2-CB 3.65Å; A673-N700 VanDerWaalsContact CB-OD1 3.29Å; A673-N700 WeakPolarHBondContact CB-OD1 3.47Å
674	R	88.4	Confident	87.2	Confident	161 Å²	161	66.1 Å²	66.1	61%	0.608	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-102.7	163.1	177.9	-58.3	179.2	-173	-171.9	3	111.2	G676 Q677 R702	R674-G676 PolarHBondContact O-N 2.84Å; R674-Q677 HydrophobicContact CB-CG 4.27Å; R674-Q677 PolarHBondContact O-N 2.87Å; R674-R702 PolarHBondContact O-NH1 2.8Å; R674-R702 PolarHBondContact O-NH2 3.42Å
675	P	90.6	Very high	87.3	Confident	82 Å²	82	65.2 Å²	65.2	53%	0.532	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	133	163.5	-28.1	38	0	0	0	111.2	Q677 F713	P675-Q677 PolarHBondContact O-N 2.81Å; P675-F713 HydrophobicContact CB-CD1 3.81Å; P675-F713 HydrophobicContact CB-CD2 3.82Å; P675-F713 HydrophobicContact CB-CE1 3.76Å; P675-F713 HydrophobicContact CB-CE2 3.75Å; P675-F713 HydrophobicContact CB-CG 3.83Å; P675-F713 HydrophobicContact CB-CZ 3.71Å; P675-F713 HydrophobicContact CG-CE1 4.18Å; P675-F713 HydrophobicContact CG-CZ 4.08Å
676	G	90.2	Very high	87.5	Confident	21 Å²	21	65.4 Å²	65.4	22%	0.216	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-6.5	-179.3	0	0	0	0	0	115.8	G665 E666 R674	G665-G676 WeakPolarHBondContact CA-O 3.46Å; E666-G676 PolarHBondContact N-O 2.95Å; R674-G676 PolarHBondContact O-N 2.84Å
677	Q	94.3	Very high	87.9	Confident	17 Å²	17	59 Å²	59	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	152.9	161.7	-74	177.5	-29.5	0	0	110	E666 E667 R674 P675 R702 Q704	E666-Q677 HydrophobicContact CB-CG 4.1Å; E666-Q677 CarbonylContact O-C 3.59Å; E666-Q677 VanDerWaalsContact O-CA 3.23Å; E666-Q677 WeakPolarHBondContact O-CA 3.35Å; E667-Q677 PolarHBondContact O-NE2 2.85Å; R674-Q677 HydrophobicContact CB-CG 4.27Å; R674-Q677 PolarHBondContact O-N 2.87Å; P675-Q677 PolarHBondContact O-N 2.81Å; Q677-R702 PolarHBondContact O-NH2 2.72Å; Q677-Q704 PolarHBondContact O-NE2 3.39Å
678	F	95.4	Very high	87.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	164.5	174.3	-58.1	-78.8	0	0	0	111.7	I651 E666 E667 T668 P681 V695 D697 Q704 F706	I651-F678 HydrophobicContact CD1-CZ 4.4Å; I651-F678 HydrophobicContact CG1-CE2 4.05Å; I651-F678 HydrophobicContact CG1-CZ 3.92Å; E666-F678 PolarHBondContact O-N 3.28Å; E667-F678 CarbonylContact C-O 3.58Å; T668-F678 WeakPolarHBondContact CB-O 3.42Å; T668-F678 PolarHBondContact N-O 2.85Å; T668-F678 PolarHBondContact OG1-O 3.13Å; F678-P681 HydrophobicContact CB-CB 4.22Å; F678-P681 HydrophobicContact CB-CG 4.07Å; F678-P681 HydrophobicContact CD1-CB 3.98Å; F678-P681 HydrophobicContact CE1-CB 4.45Å; F678-P681 HydrophobicContact CG-CB 4.05Å; F678-P681 HydrophobicContact CG-CG 4.22Å; F678-V695 HydrophobicContact CD1-CG1 4.25Å; F678-V695 HydrophobicContact CE1-CB 3.94Å; F678-V695 HydrophobicContact CE1-CG1 3.75Å; F678-V695 HydrophobicContact CE1-CG2 4.17Å; F678-V695 HydrophobicContact CZ-CG1 4.44Å; F678-V695 HydrophobicContact CZ-CG2 4.29Å; F678-D697 VanDerWaalsContact CA-OD1 3.28Å; F678-D697 WeakPolarHBondContact CA-OD1 3.4Å; F678-D697 HydrophobicContact CD1-CB 4.09Å; F678-Q704 HydrophobicContact CE1-CB 4.48Å; F678-F706 AromaticContact CE1-CE2 3.82Å; F678-F706 HydrophobicContact CE1-CE2 3.82Å; F678-F706 AromaticContact CE1-CZ 3.92Å; F678-F706 HydrophobicContact CE1-CZ 3.92Å; F678-F706 HydrophobicContact CE2-CZ 4.29Å; F678-F706 HydrophobicContact CZ-CE1 4.4Å; F678-F706 AromaticContact CZ-CE2 3.49Å; F678-F706 HydrophobicContact CZ-CE2 3.49Å; F678-F706 VanDerWaalsContact CZ-CE2 3.49Å; F678-F706 AromaticContact CZ-CZ 3.42Å; F678-F706 HydrophobicContact CZ-CZ 3.42Å; F678-F706 VanDerWaalsContact CZ-CZ 3.42Å
679	H	93.6	Very high	88.2	Confident	75 Å²	75	57.8 Å²	57.8	35%	0.347	30%	0.298	S	S	.	.	S	Bend	trans	-144.3	97.8	164.6	-170.9	-156.9	0	0	0	106.8	D697 E699 N700	H679-D697 PolarHBondContact N-OD1 3.13Å; H679-E699 HydrophobicContact CB-CB 4.01Å; H679-E699 WeakPolarHBondContact ND1-CB 3.33Å; H679-E699 WeakPolarHBondContact O-CB 3.35Å; H679-E699 PolarHBondContact O-N 3.3Å; H679-E699 VanDerWaalsContact O-N 3.09Å; H679-N700 WeakPolarHBondContact CB-ND2 3.21Å; H679-N700 PolarHBondContact N-ND2 2.91Å
680	I	95.4	Very high	89.1	Confident	18 Å²	18	60 Å²	60	9%	0.092	30%	0.302	C	S	.	.			trans	58.4	76.2	-165.6	-44.8	-176.2	0	0	0	112.6	G645 Y646 H682 R698 E699	G645-I680 VanDerWaalsContact O-CA 3.27Å; G645-I680 WeakPolarHBondContact O-CA 3.39Å; Y646-I680 HydrophobicContact CD1-CD1 4Å; Y646-I680 HydrophobicContact CD1-CG2 4.27Å; Y646-I680 HydrophobicContact CE1-CD1 4.38Å; Y646-I680 HydrophobicContact CE1-CG2 4.4Å; Y646-I680 HydrophobicContact CG-CG2 4.48Å; I680-H682 HydrophobicContact CG2-CB 4.24Å; I680-H682 PolarHBondContact O-N 2.83Å; I680-H682 VanDerWaalsContact O-N 3.1Å; I680-R698 HydrophobicContact CB-CB 4.38Å; I680-R698 WeakPolarHBondContact O-CB 3.45Å; I680-R698 PolarHBondContact O-N 3.47Å; I680-E699 HydrophobicContact CB-CG 4.24Å; I680-E699 HydrophobicContact CD1-CG 3.76Å; I680-E699 HydrophobicContact CG1-CG 3.94Å
681	P	97.6	Very high	90.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	110.4	161.3	28.3	-31.5	0	0	0	108.1	T629 I651 F678 V695 A696	T629-P681 PolarHBondContact OG1-O 3.35Å; I651-P681 HydrophobicContact CD1-CB 4.08Å; F678-P681 HydrophobicContact CB-CB 4.22Å; F678-P681 HydrophobicContact CB-CG 4.07Å; F678-P681 HydrophobicContact CD1-CB 3.98Å; F678-P681 HydrophobicContact CE1-CB 4.45Å; F678-P681 HydrophobicContact CG-CB 4.05Å; F678-P681 HydrophobicContact CG-CG 4.22Å; P681-V695 HydrophobicContact CB-CG1 3.65Å; P681-A696 WeakPolarHBondContact CA-O 3.44Å
682	H	98.1	Very high	92.5	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.023	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-29.7	-159.9	-171.4	-88.5	0	0	0	114.6	H578 T629 Y646 I680 A696 R698 F727 H779	H578-H682 AromaticContact CE1-CE1 3.68Å; H578-H682 AromaticContact CE1-NE2 3.55Å; H578-H682 AromaticContact NE2-CE1 3.86Å; H578-H682 AromaticContact NE2-NE2 3.39Å; H578-H682 PolarHBondContact NE2-NE2 3.33Å; T629-H682 WeakPolarHBondContact CB-O 3.41Å; Y646-H682 PolarHBondContact OH-NE2 2.85Å; I680-H682 HydrophobicContact CG2-CB 4.24Å; I680-H682 PolarHBondContact O-N 2.83Å; I680-H682 VanDerWaalsContact O-N 3.1Å; H682-A696 PolarHBondContact N-O 3.23Å; H682-R698 HydrophobicContact CB-CB 3.73Å; H682-F727 AromaticContact CE1-CD1 3.55Å; H682-F727 PolarHBondContact ND1-O 2.04Å; H682-F727 AromaticContact NE2-CD1 3.8Å; H682-H779 AromaticContact CE1-CE1 3.86Å
683	S	98.3	Very high	93.9	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.5	-177.4	164.7	0	0	0	0	110.4	D630 V695 A696 F727 V729	D630-S683 WeakPolarHBondContact OD2-CA 3.49Å; S683-V695 WeakPolarHBondContact O-CA 3.38Å; S683-A696 PolarHBondContact O-N 2.7Å; S683-F727 WeakPolarHBondContact CB-O 3.44Å; S683-V729 PolarHBondContact OG-N 3.27Å
684	L	98.4	Very high	94.8	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.068	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.4	-174	-67.7	-175.3	0	0	0	111.3	D630 A632 Y641 I651 L693 V695	D630-L684 HydrophobicContact CB-CG 4.39Å; D630-L684 PolarHBondContact OD2-N 3.04Å; A632-L684 HydrophobicContact CB-CB 3.89Å; A632-L684 HydrophobicContact CB-CD1 4.25Å; Y641-L684 WeakPolarHBondContact O-CD1 3.41Å; I651-L684 HydrophobicContact CD1-CD2 3.99Å; L684-L693 HydrophobicContact CB-CD1 4.24Å; L684-L693 HydrophobicContact CD2-CD1 4.25Å; L684-L693 HydrophobicContact CD2-CD2 4.16Å; L684-L693 HydrophobicContact CD2-CG 4.28Å; L684-V695 HydrophobicContact CD2-CB 4.22Å; L684-V695 HydrophobicContact CD2-CG1 4.07Å; L684-V695 HydrophobicContact CD2-CG2 3.72Å
685	T	97.9	Very high	95.3	Very high	15 Å²	15	29.1 Å²	29.1	9%	0.092	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.9	167.4	-154.6	0	0	0	0	112.1	C694 V729 Y731	T685-C694 HydrophobicContact CG2-CB 4.04Å; T685-C694 PolarHBondContact N-O 2.84Å; T685-C694 PolarHBondContact O-N 2.73Å; T685-V729 WeakPolarHBondContact CB-O 3.4Å; T685-V729 HydrophobicContact CG2-CG1 4.07Å; T685-V729 HydrophobicContact CG2-CG2 3.9Å; T685-Y731 PolarHBondContact OG1-N 3.44Å
686	L	97	Very high	95.6	Very high	29 Å²	29	25.2 Å²	25.2	15%	0.152	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.3	174.9	-68.5	167.8	0	0	0	109.8	A632 V633 Y641 L693 L708 Y731	A632-L686 HydrophobicContact CB-CD1 4.26Å; A632-L686 HydrophobicContact CB-CD2 4.47Å; A632-L686 HydrophobicContact CB-CG 4.05Å; V633-L686 VanDerWaalsContact O-CD1 3.24Å; V633-L686 WeakPolarHBondContact O-CD1 3.31Å; Y641-L686 HydrophobicContact CD2-CD2 4.47Å; L686-L693 HydrophobicContact CD2-CD1 3.77Å; L686-L693 HydrophobicContact CG-CD1 4.4Å; L686-L708 HydrophobicContact CD2-CD1 4.48Å; L686-L708 HydrophobicContact CD2-CD2 3.54Å; L686-Y731 WeakPolarHBondContact O-CD1 3.47Å
687	V	96.1	Very high	96	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	81.1	177.8	-169.9	0	0	0	0	108	D689 F690 S691 Q692 C694 Y731 F759	V687-D689 VanDerWaalsContact C-N 3.3Å; V687-D689 PolarHBondContact O-N 2.88Å; V687-F690 HydrophobicContact CG1-CB 4.19Å; V687-F690 HydrophobicContact CG1-CD2 3.74Å; V687-F690 HydrophobicContact CG1-CG 4.42Å; V687-F690 CarbonylContact O-C 3.57Å; V687-F690 PolarHBondContact O-N 2.84Å; V687-F690 VanDerWaalsContact O-N 3.17Å; V687-S691 PolarHBondContact O-N 2.87Å; V687-S691 VanDerWaalsContact O-N 3.1Å; V687-Q692 HydrophobicContact CB-CB 4.16Å; V687-Q692 PolarHBondContact N-O 3Å; V687-Q692 PolarHBondContact O-N 3.04Å; V687-Q692 VanDerWaalsContact O-N 3.15Å; V687-C694 HydrophobicContact CG2-CB 4.46Å; V687-Y731 HydrophobicContact CB-CD1 4.31Å; V687-Y731 HydrophobicContact CB-CE1 4.48Å; V687-Y731 HydrophobicContact CB-CG 4.39Å; V687-Y731 HydrophobicContact CG1-CD1 4.04Å; V687-Y731 HydrophobicContact CG1-CD2 4.05Å; V687-Y731 HydrophobicContact CG1-CE1 3.79Å; V687-Y731 HydrophobicContact CG1-CE2 3.79Å; V687-Y731 HydrophobicContact CG1-CG 4.16Å; V687-Y731 HydrophobicContact CG2-CD1 4.31Å; V687-Y731 HydrophobicContact CG2-CD2 4.17Å; V687-Y731 HydrophobicContact CG2-CG 3.94Å; V687-F759 HydrophobicContact CB-CE2 4.28Å; V687-F759 HydrophobicContact CB-CZ 4.08Å; V687-F759 HydrophobicContact CG1-CD1 4.25Å; V687-F759 HydrophobicContact CG1-CD2 4.33Å; V687-F759 HydrophobicContact CG1-CE1 3.78Å; V687-F759 HydrophobicContact CG1-CE2 3.88Å; V687-F759 HydrophobicContact CG1-CZ 3.58Å; V687-F759 HydrophobicContact CG2-CD2 4.41Å; V687-F759 HydrophobicContact CG2-CE2 3.61Å; V687-F759 HydrophobicContact CG2-CZ 3.86Å
688	P	90.4	Very high	96	Very high	54 Å²	54	24.6 Å²	24.6	35%	0.351	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-60.1	-39.6	-172.9	-24.7	35.6	0	0	0	112.7	F690 S691	P688-F690 PolarHBondContact O-N 2.85Å; P688-S691 PolarHBondContact O-N 2.88Å; P688-S691 VanDerWaalsContact O-N 3.12Å
689	D	90.5	Very high	95.9	Very high	94 Å²	94	26.3 Å²	26.3	50%	0.503	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-55.3	-21.3	179.1	-66.8	-4.1	0	0	0	113.7	V687 Y731 G734	V687-D689 VanDerWaalsContact C-N 3.3Å; V687-D689 PolarHBondContact O-N 2.88Å; D689-Y731 PolarHBondContact OD2-OH 2.84Å; D689-G734 PolarHBondContact OD2-N 3.15Å
690	F	91.5	Very high	95.8	Very high	90 Å²	90	23.6 Å²	23.6	40%	0.395	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-128.7	12	-178.4	-62.6	-92.1	0	0	0	113.7	V687 P688 Q692 F759	V687-F690 HydrophobicContact CG1-CB 4.19Å; V687-F690 HydrophobicContact CG1-CD2 3.74Å; V687-F690 HydrophobicContact CG1-CG 4.42Å; V687-F690 CarbonylContact O-C 3.57Å; V687-F690 PolarHBondContact O-N 2.84Å; V687-F690 VanDerWaalsContact O-N 3.17Å; P688-F690 PolarHBondContact O-N 2.85Å; F690-Q692 VanDerWaalsContact C-N 3.25Å; F690-Q692 PolarHBondContact O-N 2.99Å; F690-Q692 PolarHBondContact O-NE2 3.16Å; F690-F759 HydrophobicContact CB-CE1 4.25Å; F690-F759 HydrophobicContact CD1-CE1 4.44Å; F690-F759 AromaticContact CD2-CD1 3.72Å; F690-F759 HydrophobicContact CD2-CD1 3.72Å; F690-F759 AromaticContact CD2-CE1 3.56Å; F690-F759 HydrophobicContact CD2-CE1 3.56Å; F690-F759 AromaticContact CE2-CD1 3.61Å; F690-F759 HydrophobicContact CE2-CD1 3.61Å; F690-F759 AromaticContact CE2-CE1 3.94Å; F690-F759 HydrophobicContact CE2-CE1 3.94Å; F690-F759 HydrophobicContact CG-CD1 4.37Å; F690-F759 AromaticContact CG-CE1 3.85Å; F690-F759 HydrophobicContact CG-CE1 3.85Å; F690-F759 HydrophobicContact CZ-CD1 4.17Å
691	S	93.6	Very high	95.7	Very high	76 Å²	76	22.8 Å²	22.8	53%	0.531	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	42.2	-175.6	-61.9	0	0	0	0	114.4	V687 P688 L708	V687-S691 PolarHBondContact O-N 2.87Å; V687-S691 VanDerWaalsContact O-N 3.1Å; P688-S691 PolarHBondContact O-N 2.88Å; P688-S691 VanDerWaalsContact O-N 3.12Å; S691-L708 WeakPolarHBondContact O-CG 3.47Å; S691-L708 PolarHBondContact O-N 2.92Å
692	Q	96.6	Very high	95.7	Very high	19 Å²	19	22.9 Å²	22.9	9%	0.089	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.7	-174.8	-86.8	162.1	65.4	0	0	113.4	V687 F690 F706 V714	V687-Q692 HydrophobicContact CB-CB 4.16Å; V687-Q692 PolarHBondContact N-O 3Å; V687-Q692 PolarHBondContact O-N 3.04Å; V687-Q692 VanDerWaalsContact O-N 3.15Å; F690-Q692 VanDerWaalsContact C-N 3.25Å; F690-Q692 PolarHBondContact O-N 2.99Å; F690-Q692 PolarHBondContact O-NE2 3.16Å; Q692-F706 CarbonylContact C-O 3.57Å; Q692-F706 VanDerWaalsContact CA-O 3.22Å; Q692-F706 WeakPolarHBondContact CA-O 3.38Å; Q692-F706 WeakPolarHBondContact CG-O 3.44Å; Q692-V714 HydrophobicContact CG-CG2 4.1Å
693	L	98.1	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.3	161.1	180	72.4	0	0	0	107.6	A632 Y641 I651 W664 L684 L686 C705 F706 L708	A632-L693 HydrophobicContact CB-CD1 4.14Å; Y641-L693 HydrophobicContact CD1-CD2 3.9Å; Y641-L693 HydrophobicContact CG-CD2 3.95Å; I651-L693 HydrophobicContact CG2-CD2 3.92Å; W664-L693 HydrophobicContact CZ2-CD2 4.18Å; L684-L693 HydrophobicContact CB-CD1 4.24Å; L684-L693 HydrophobicContact CD2-CD1 4.25Å; L684-L693 HydrophobicContact CD2-CD2 4.16Å; L684-L693 HydrophobicContact CD2-CG 4.28Å; L686-L693 HydrophobicContact CD2-CD1 3.77Å; L686-L693 HydrophobicContact CG-CD1 4.4Å; L693-C705 CarbonylContact O-C 3.56Å; L693-C705 WeakPolarHBondContact O-CA 3.37Å; L693-F706 PolarHBondContact N-O 2.72Å; L693-F706 PolarHBondContact O-N 3.18Å; L693-L708 HydrophobicContact CB-CD2 3.82Å
694	C	98.4	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.2	174.5	-62.9	0	0	0	0	110.5	T685 V687 I703 Q704 C705	T685-C694 HydrophobicContact CG2-CB 4.04Å; T685-C694 PolarHBondContact N-O 2.84Å; T685-C694 PolarHBondContact O-N 2.73Å; V687-C694 HydrophobicContact CG2-CB 4.46Å; C694-I703 HydrophobicContact CB-CG2 3.93Å; C694-Q704 CarbonylContact C-O 3.53Å; C694-Q704 WeakPolarHBondContact CA-O 3.49Å; C694-C705 HydrophobicContact CB-CB 4.16Å; C694-C705 WeakPolarHBondContact CB-SG 3.4Å; C694-C705 WeakPolarHBondContact SG-CB 3.5Å; C694-C705 CovalentContact SG-SG 2.04Å; C694-C705 PolarHBondContact SG-SG 3.1Å
695	V	98.6	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127	-171.1	-172.4	0	0	0	0	108.9	I651 F678 P681 S683 L684 D697 I703 Q704 F706	I651-V695 HydrophobicContact CD1-CG1 4.09Å; I651-V695 HydrophobicContact CD1-CG2 4.05Å; I651-V695 HydrophobicContact CG1-CG2 4.17Å; F678-V695 HydrophobicContact CD1-CG1 4.25Å; F678-V695 HydrophobicContact CE1-CB 3.94Å; F678-V695 HydrophobicContact CE1-CG1 3.75Å; F678-V695 HydrophobicContact CE1-CG2 4.17Å; F678-V695 HydrophobicContact CZ-CG1 4.44Å; F678-V695 HydrophobicContact CZ-CG2 4.29Å; P681-V695 HydrophobicContact CB-CG1 3.65Å; S683-V695 WeakPolarHBondContact O-CA 3.38Å; L684-V695 HydrophobicContact CD2-CB 4.22Å; L684-V695 HydrophobicContact CD2-CG1 4.07Å; L684-V695 HydrophobicContact CD2-CG2 3.72Å; V695-D697 PolarHBondContact O-N 3.06Å; V695-I703 CarbonylContact O-C 3.56Å; V695-I703 VanDerWaalsContact O-CA 3.29Å; V695-I703 WeakPolarHBondContact O-CA 3.46Å; V695-Q704 PolarHBondContact N-O 2.8Å; V695-Q704 PolarHBondContact O-N 3.32Å; V695-F706 HydrophobicContact CG2-CD2 4.04Å; V695-F706 HydrophobicContact CG2-CE2 3.99Å
696	A	98.2	Very high	95.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	112.4	163.6	0	0	0	0	0	108.8	P681 H682 S683 R698 V729	P681-A696 WeakPolarHBondContact CA-O 3.44Å; H682-A696 PolarHBondContact N-O 3.23Å; S683-A696 PolarHBondContact O-N 2.7Å; A696-R698 PolarHBondContact O-N 3.34Å; A696-V729 HydrophobicContact CB-CB 4.34Å; A696-V729 HydrophobicContact CB-CG1 3.97Å
697	D	97.2	Very high	95.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	85.8	-178.4	-179.5	15.1	0	0	0	107.6	F678 H679 V695 N700 G701 R702 Q704	F678-D697 VanDerWaalsContact CA-OD1 3.28Å; F678-D697 WeakPolarHBondContact CA-OD1 3.4Å; F678-D697 HydrophobicContact CD1-CB 4.09Å; H679-D697 PolarHBondContact N-OD1 3.13Å; V695-D697 PolarHBondContact O-N 3.06Å; D697-N700 HydrophobicContact CB-CB 4.42Å; D697-N700 PolarHBondContact O-N 2.76Å; D697-N700 PolarHBondContact OD1-ND2 3.19Å; D697-N700 WeakPolarHBondContact OD2-CB 3.38Å; D697-N700 PolarHBondContact OD2-ND2 3.44Å; D697-G701 PolarHBondContact O-N 3.32Å; D697-R702 HydrophobicContact CB-CG 3.92Å; D697-R702 PolarHBondContact N-O 2.86Å; D697-R702 IonicContact OD2-CZ 3.66Å; D697-R702 IonicContact OD2-NE 3.86Å; D697-R702 PolarHBondContact OD2-NE 3.34Å; D697-R702 IonicContact OD2-NH2 3.97Å; D697-R702 PolarHBondContact OD2-NH2 2.82Å; D697-Q704 PolarHBondContact OD2-NE2 2.73Å
698	R	94.8	Very high	95.5	Very high	24 Å²	24	22.5 Å²	22.5	9%	0.091	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-60.5	-61.9	-150.5	174	174.2	155.9	-83.3	-20.1	112.3	I680 H682 A696 N700 G701 R724 E725 L726 F727	I680-R698 HydrophobicContact CB-CB 4.38Å; I680-R698 WeakPolarHBondContact O-CB 3.45Å; I680-R698 PolarHBondContact O-N 3.47Å; H682-R698 HydrophobicContact CB-CB 3.73Å; A696-R698 PolarHBondContact O-N 3.34Å; R698-N700 PolarHBondContact O-N 3.41Å; R698-N700 VanDerWaalsContact O-N 3.13Å; R698-G701 PolarHBondContact O-N 3.47Å; R698-R724 VanDerWaalsContact O-O 3.05Å; R698-E725 HydrophobicContact CG-CB 4.41Å; R698-E725 IonicContact CZ-OE2 2.68Å; R698-E725 IonicContact NE-OE2 3.79Å; R698-E725 IonicContact NH2-OE1 3.17Å; R698-E725 PolarHBondContact NH2-OE1 2.9Å; R698-E725 IonicContact NH2-OE2 3.08Å; R698-E725 PolarHBondContact NH2-OE2 2.85Å; R698-E725 VanDerWaalsContact O-CA 3.24Å; R698-E725 WeakPolarHBondContact O-CA 3.45Å; R698-L726 VanDerWaalsContact CA-O 3.25Å; R698-L726 WeakPolarHBondContact CA-O 3.08Å; R698-L726 WeakPolarHBondContact CB-O 3.09Å; R698-L726 PolarHBondContact O-N 3.4Å; R698-L726 VanDerWaalsContact O-N 3.07Å; R698-F727 HydrophobicContact CG-CD2 4.45Å; R698-F727 VanDerWaalsContact NE-CE2 3.28Å
699	E	92.9	Very high	95.4	Very high	36 Å²	36	28.1 Å²	28.1	17%	0.168	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-71.2	-7.8	-175.1	-61.5	-69.2	168.4	0	0	113.2	H679 I680 R724	H679-E699 HydrophobicContact CB-CB 4.01Å; H679-E699 WeakPolarHBondContact ND1-CB 3.33Å; H679-E699 WeakPolarHBondContact O-CB 3.35Å; H679-E699 PolarHBondContact O-N 3.3Å; H679-E699 VanDerWaalsContact O-N 3.09Å; I680-E699 HydrophobicContact CB-CG 4.24Å; I680-E699 HydrophobicContact CD1-CG 3.76Å; I680-E699 HydrophobicContact CG1-CG 3.94Å; E699-R724 CarbonylContact C-O 3.57Å
700	N	92.6	Very high	95.5	Very high	19 Å²	19	27 Å²	27	10%	0.102	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-94.4	-4.8	171.9	-80.2	-44.2	0	0	0	113.1	T668 A673 H679 D697 R698 R702 K718	T668-N700 PolarHBondContact OG1-ND2 2.65Å; A673-N700 VanDerWaalsContact CB-OD1 3.29Å; A673-N700 WeakPolarHBondContact CB-OD1 3.47Å; H679-N700 WeakPolarHBondContact CB-ND2 3.21Å; H679-N700 PolarHBondContact N-ND2 2.91Å; D697-N700 HydrophobicContact CB-CB 4.42Å; D697-N700 PolarHBondContact O-N 2.76Å; D697-N700 PolarHBondContact OD1-ND2 3.19Å; D697-N700 WeakPolarHBondContact OD2-CB 3.38Å; D697-N700 PolarHBondContact OD2-ND2 3.44Å; R698-N700 PolarHBondContact O-N 3.41Å; R698-N700 VanDerWaalsContact O-N 3.13Å; N700-R702 HydrophobicContact CB-CG 3.99Å; N700-R702 PolarHBondContact O-N 2.89Å; N700-K718 PolarHBondContact O-NZ 3.21Å
701	G	93.6	Very high	95.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	48.5	178.1	0	0	0	0	0	113.1	D697 R698 R724	D697-G701 PolarHBondContact O-N 3.32Å; R698-G701 PolarHBondContact O-N 3.47Å; G701-R724 WeakPolarHBondContact CA-O 3.13Å; G701-R724 PolarHBondContact N-O 2.02Å
702	R	95.7	Very high	95.6	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.3	-177.8	66.3	178.1	171.7	167.5	3.2	113	R674 Q677 D697 N700 Q704 E716 K718	R674-R702 PolarHBondContact O-NH1 2.8Å; R674-R702 PolarHBondContact O-NH2 3.42Å; Q677-R702 PolarHBondContact O-NH2 2.72Å; D697-R702 HydrophobicContact CB-CG 3.92Å; D697-R702 PolarHBondContact N-O 2.86Å; D697-R702 IonicContact OD2-CZ 3.66Å; D697-R702 IonicContact OD2-NE 3.86Å; D697-R702 PolarHBondContact OD2-NE 3.34Å; D697-R702 IonicContact OD2-NH2 3.97Å; D697-R702 PolarHBondContact OD2-NH2 2.82Å; N700-R702 HydrophobicContact CB-CG 3.99Å; N700-R702 PolarHBondContact O-N 2.89Å; R702-Q704 HydrophobicContact CG-CG 4.41Å; R702-Q704 VanDerWaalsContact CZ-NE2 3.33Å; R702-E716 HydrophobicContact CB-CG 4.19Å; R702-E716 WeakPolarHBondContact CD-OE2 3.36Å; R702-E716 IonicContact CZ-OE2 3.78Å; R702-E716 IonicContact NE-OE2 3.06Å; R702-E716 IonicContact NH1-OE2 2.69Å; R702-E716 PolarHBondContact NH1-OE2 3.2Å; R702-K718 HydrophobicContact CB-CB 4Å; R702-K718 HydrophobicContact CB-CD 4.03Å; R702-K718 HydrophobicContact CB-CG 4.12Å
703	I	98.3	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.8	167.5	-52.8	169	0	0	0	108	C694 V695 E716 I717 L726 V729 L737 M757	C694-I703 HydrophobicContact CB-CG2 3.93Å; V695-I703 CarbonylContact O-C 3.56Å; V695-I703 VanDerWaalsContact O-CA 3.29Å; V695-I703 WeakPolarHBondContact O-CA 3.46Å; I703-E716 CarbonylContact O-C 3.58Å; I703-E716 WeakPolarHBondContact O-CA 3.47Å; I703-I717 HydrophobicContact CB-CB 4.24Å; I703-I717 HydrophobicContact CD1-CD1 4.46Å; I703-I717 PolarHBondContact N-O 2.9Å; I703-I717 PolarHBondContact O-N 3.28Å; I703-L726 HydrophobicContact CD1-CD2 4.04Å; I703-L726 HydrophobicContact CG1-CD2 3.39Å; I703-V729 HydrophobicContact CD1-CG2 3.89Å; I703-V729 HydrophobicContact CG1-CG2 4.49Å; I703-L737 HydrophobicContact CD1-CD1 4.31Å; I703-L737 HydrophobicContact CD1-CD2 3.68Å; I703-M757 HydrophobicContact CD1-CE 3.78Å
704	Q	97.7	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132	171.6	-67.2	-173.7	84.6	0	0	110.5	Q677 F678 C694 V695 D697 R702 F706 F713	Q677-Q704 PolarHBondContact O-NE2 3.39Å; F678-Q704 HydrophobicContact CE1-CB 4.48Å; C694-Q704 CarbonylContact C-O 3.53Å; C694-Q704 WeakPolarHBondContact CA-O 3.49Å; V695-Q704 PolarHBondContact N-O 2.8Å; V695-Q704 PolarHBondContact O-N 3.32Å; D697-Q704 PolarHBondContact OD2-NE2 2.73Å; R702-Q704 HydrophobicContact CG-CG 4.41Å; R702-Q704 VanDerWaalsContact CZ-NE2 3.33Å; Q704-F706 HydrophobicContact CB-CE2 3.56Å; Q704-F706 HydrophobicContact CB-CZ 3.9Å; Q704-F713 HydrophobicContact CB-CE2 4.32Å; Q704-F713 HydrophobicContact CG-CE2 4.18Å
705	C	98.1	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.4	-179.5	-60	0	0	0	0	111.5	L693 C694 V714 R715	L693-C705 CarbonylContact O-C 3.56Å; L693-C705 WeakPolarHBondContact O-CA 3.37Å; C694-C705 HydrophobicContact CB-CB 4.16Å; C694-C705 WeakPolarHBondContact CB-SG 3.4Å; C694-C705 WeakPolarHBondContact SG-CB 3.5Å; C694-C705 CovalentContact SG-SG 2.04Å; C694-C705 PolarHBondContact SG-SG 3.1Å; C705-V714 WeakPolarHBondContact O-CB 3.47Å; C705-V714 PolarHBondContact O-N 2.74Å; C705-R715 HydrophobicContact CB-CG 3.97Å; C705-R715 PolarHBondContact N-O 3.38Å; C705-R715 PolarHBondContact O-N 3.17Å
706	F	98.1	Very high	95.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.9	-174.2	-58.2	-96.5	0	0	0	110.7	W664 F678 Q692 L693 V695 Q704 E712 F713	W664-F706 AromaticContact CD1-CD1 3.78Å; W664-F706 AromaticContact CD1-CE1 3.82Å; W664-F706 HydrophobicContact CZ2-CB 4.27Å; W664-F706 AromaticContact NE1-CD1 3.35Å; W664-F706 AromaticContact NE1-CD2 3.98Å; W664-F706 AromaticContact NE1-CE1 3.72Å; W664-F706 AromaticContact NE1-CG 3.51Å; F678-F706 AromaticContact CE1-CE2 3.82Å; F678-F706 HydrophobicContact CE1-CE2 3.82Å; F678-F706 AromaticContact CE1-CZ 3.92Å; F678-F706 HydrophobicContact CE1-CZ 3.92Å; F678-F706 HydrophobicContact CE2-CZ 4.29Å; F678-F706 HydrophobicContact CZ-CE1 4.4Å; F678-F706 AromaticContact CZ-CE2 3.49Å; F678-F706 HydrophobicContact CZ-CE2 3.49Å; F678-F706 VanDerWaalsContact CZ-CE2 3.49Å; F678-F706 AromaticContact CZ-CZ 3.42Å; F678-F706 HydrophobicContact CZ-CZ 3.42Å; F678-F706 VanDerWaalsContact CZ-CZ 3.42Å; Q692-F706 CarbonylContact C-O 3.57Å; Q692-F706 VanDerWaalsContact CA-O 3.22Å; Q692-F706 WeakPolarHBondContact CA-O 3.38Å; Q692-F706 WeakPolarHBondContact CG-O 3.44Å; L693-F706 PolarHBondContact N-O 2.72Å; L693-F706 PolarHBondContact O-N 3.18Å; V695-F706 HydrophobicContact CG2-CD2 4.04Å; V695-F706 HydrophobicContact CG2-CE2 3.99Å; Q704-F706 HydrophobicContact CB-CE2 3.56Å; Q704-F706 HydrophobicContact CB-CZ 3.9Å; F706-E712 CarbonylContact C-O 3.51Å; F706-E712 WeakPolarHBondContact CA-O 3.35Å; F706-F713 HydrophobicContact CD1-CB 4.13Å; F706-F713 HydrophobicContact CE1-CB 3.93Å; F706-F713 HydrophobicContact CE1-CD2 4.19Å; F706-F713 HydrophobicContact CZ-CD2 4.27Å
707	T	96.8	Very high	95.1	Very high	37 Å²	37	37.6 Å²	37.6	23%	0.227	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	138.8	172.8	57.6	0	0	0	0	111.2	T710 G711 E712 V714	T707-T710 PolarHBondContact OG1-N 2.91Å; T707-T710 PolarHBondContact OG1-OG1 2.92Å; T707-G711 VanDerWaalsContact O-CA 3.26Å; T707-G711 WeakPolarHBondContact O-CA 3.18Å; T707-G711 PolarHBondContact O-N 3.4Å; T707-G711 PolarHBondContact OG1-N 2.85Å; T707-E712 PolarHBondContact N-O 3.14Å; T707-E712 PolarHBondContact OG1-N 2.82Å; T707-V714 HydrophobicContact CG2-CG2 3.62Å
708	L	93.9	Very high	94.9	Very high	18 Å²	18	43.1 Å²	43.1	9%	0.094	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-42.1	175	-69.2	169.9	0	0	0	112	Y641 Q653 L686 S691 L693	Y641-L708 HydrophobicContact CD2-CD2 4.46Å; Y641-L708 HydrophobicContact CE1-CD2 4.22Å; Y641-L708 HydrophobicContact CE2-CD2 3.76Å; Y641-L708 PolarHBondContact OH-O 2.96Å; Q653-L708 PolarHBondContact NE2-O 2.93Å; L686-L708 HydrophobicContact CD2-CD1 4.48Å; L686-L708 HydrophobicContact CD2-CD2 3.54Å; S691-L708 WeakPolarHBondContact O-CG 3.47Å; S691-L708 PolarHBondContact O-N 2.92Å; L693-L708 HydrophobicContact CB-CD2 3.82Å
709	E	88.4	Confident	94.9	Very high	173 Å²	173	45.9 Å²	45.9	81%	0.808	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-59.4	-177.8	-176.1	175.9	-168.5	0	0	112.4	K662	K662-E709 PolarHBondContact NZ-O 2.8Å
710	T	91.7	Very high	94.7	Very high	69 Å²	69	51.5 Å²	51.5	42%	0.423	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-27.2	-173.1	53.4	0	0	0	0	113.7	K662 T707 E712	K662-T710 PolarHBondContact NZ-O 3.3Å; T707-T710 PolarHBondContact OG1-N 2.91Å; T707-T710 PolarHBondContact OG1-OG1 2.92Å; T710-E712 VanDerWaalsContact C-N 3.3Å; T710-E712 WeakPolarHBondContact CB-OE2 3.4Å; T710-E712 WeakPolarHBondContact OG1-CG 3.48Å; T710-E712 PolarHBondContact OG1-OE2 2.91Å
711	G	93.2	Very high	94.7	Very high	10 Å²	10	52.4 Å²	52.4	10%	0.103	26%	0.256	C	S	.	.			trans	79.4	15.9	-174.2	0	0	0	0	0	112.7	T707	T707-G711 VanDerWaalsContact O-CA 3.26Å; T707-G711 WeakPolarHBondContact O-CA 3.18Å; T707-G711 PolarHBondContact O-N 3.4Å; T707-G711 PolarHBondContact OG1-N 2.85Å
712	E	94.6	Very high	94.6	Very high	125 Å²	125	52.4 Å²	52.4	58%	0.584	26%	0.256	S	S	*	.			trans	-82.2	142.2	-178.5	-68.9	170.9	124.3	0	0	110.4	F706 T707 T710 V714	F706-E712 CarbonylContact C-O 3.51Å; F706-E712 WeakPolarHBondContact CA-O 3.35Å; T707-E712 PolarHBondContact N-O 3.14Å; T707-E712 PolarHBondContact OG1-N 2.82Å; T710-E712 VanDerWaalsContact C-N 3.3Å; T710-E712 WeakPolarHBondContact CB-OE2 3.4Å; T710-E712 WeakPolarHBondContact OG1-CG 3.48Å; T710-E712 PolarHBondContact OG1-OE2 2.91Å; E712-V714 PolarHBondContact O-N 3.29Å
713	F	96.7	Very high	94.3	Very high	75 Å²	75	53.3 Å²	53.3	33%	0.329	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.6	177	173	-89.5	0	0	0	110.9	P675 Q704 F706 R715 E716	P675-F713 HydrophobicContact CB-CD1 3.81Å; P675-F713 HydrophobicContact CB-CD2 3.82Å; P675-F713 HydrophobicContact CB-CE1 3.76Å; P675-F713 HydrophobicContact CB-CE2 3.75Å; P675-F713 HydrophobicContact CB-CG 3.83Å; P675-F713 HydrophobicContact CB-CZ 3.71Å; P675-F713 HydrophobicContact CG-CE1 4.18Å; P675-F713 HydrophobicContact CG-CZ 4.08Å; Q704-F713 HydrophobicContact CB-CE2 4.32Å; Q704-F713 HydrophobicContact CG-CE2 4.18Å; F706-F713 HydrophobicContact CD1-CB 4.13Å; F706-F713 HydrophobicContact CE1-CB 3.93Å; F706-F713 HydrophobicContact CE1-CD2 4.19Å; F706-F713 HydrophobicContact CZ-CD2 4.27Å; F713-R715 VanDerWaalsContact CE2-C 3.42Å; F713-R715 WeakPolarHBondContact CE2-O 3.47Å; F713-R715 VanDerWaalsContact CZ-CA 3.49Å; F713-E716 HydrophobicContact CE2-CB 4.23Å; F713-E716 HydrophobicContact CZ-CB 3.97Å
714	V	96.3	Very high	93.7	Very high	64 Å²	64	59.1 Å²	59.1	39%	0.388	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-49.7	176.2	-178.1	0	0	0	0	110.7	Q692 C705 T707 E712	Q692-V714 HydrophobicContact CG-CG2 4.1Å; C705-V714 WeakPolarHBondContact O-CB 3.47Å; C705-V714 PolarHBondContact O-N 2.74Å; T707-V714 HydrophobicContact CG2-CG2 3.62Å; E712-V714 PolarHBondContact O-N 3.29Å
715	R	94.6	Very high	93.5	Very high	53 Å²	53	60.1 Å²	60.1	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	163.3	-173.9	64.2	-173.6	-162.8	124.6	2	113.8	C705 F713 F759	C705-R715 HydrophobicContact CB-CG 3.97Å; C705-R715 PolarHBondContact N-O 3.38Å; C705-R715 PolarHBondContact O-N 3.17Å; F713-R715 VanDerWaalsContact CE2-C 3.42Å; F713-R715 WeakPolarHBondContact CE2-O 3.47Å; F713-R715 VanDerWaalsContact CZ-CA 3.49Å; R715-F759 PolarHBondContact NH1-O 2.92Å; R715-F759 PolarHBondContact NH2-O 2.92Å
716	E	95.3	Very high	93.3	Very high	74 Å²	74	60.1 Å²	60.1	35%	0.346	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141	170.4	177.7	176.1	131.5	0	0	109.5	R702 I703 F713 K718	R702-E716 HydrophobicContact CB-CG 4.19Å; R702-E716 WeakPolarHBondContact CD-OE2 3.36Å; R702-E716 IonicContact CZ-OE2 3.78Å; R702-E716 IonicContact NE-OE2 3.06Å; R702-E716 IonicContact NH1-OE2 2.69Å; R702-E716 PolarHBondContact NH1-OE2 3.2Å; I703-E716 CarbonylContact O-C 3.58Å; I703-E716 WeakPolarHBondContact O-CA 3.47Å; F713-E716 HydrophobicContact CE2-CB 4.23Å; F713-E716 HydrophobicContact CZ-CB 3.97Å; E716-K718 HydrophobicContact CG-CB 4.14Å; E716-K718 WeakPolarHBondContact OE1-CB 3.45Å; E716-K718 WeakPolarHBondContact OE1-CD 3.25Å
717	I	96.4	Very high	93.2	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.2	162.7	-48.7	172.7	0	0	0	106.7	I703 F722 L737 M757	I703-I717 HydrophobicContact CB-CB 4.24Å; I703-I717 HydrophobicContact CD1-CD1 4.46Å; I703-I717 PolarHBondContact N-O 2.9Å; I703-I717 PolarHBondContact O-N 3.28Å; I717-F722 HydrophobicContact CG2-CZ 4.46Å; I717-L737 HydrophobicContact CD1-CD1 4.41Å; I717-M757 HydrophobicContact CG2-SD 4.27Å
718	K	93.9	Very high	93.3	Very high	116 Å²	116	58.4 Å²	58.4	50%	0.504	28%	0.282	S	S	.	.			trans	-141.1	124.7	179.1	-175.8	163.4	-169.5	148	0	110.3	N700 R702 E716	N700-K718 PolarHBondContact O-NZ 3.21Å; R702-K718 HydrophobicContact CB-CB 4Å; R702-K718 HydrophobicContact CB-CD 4.03Å; R702-K718 HydrophobicContact CB-CG 4.12Å; E716-K718 HydrophobicContact CG-CB 4.14Å; E716-K718 WeakPolarHBondContact OE1-CB 3.45Å; E716-K718 WeakPolarHBondContact OE1-CD 3.25Å
719	H	93.4	Very high	93.5	Very high	81 Å²	81	57.8 Å²	57.8	38%	0.375	28%	0.279	S	S	.	.			trans	-129.8	143.7	179.6	-161.3	-97.9	0	0	0	111	S721 F722 I764	H719-S721 PolarHBondContact CE1-OG 2.93Å; H719-S721 WeakPolarHBondContact ND1-CB 3.34Å; H719-S721 PolarHBondContact ND1-N 2.9Å; H719-S721 PolarHBondContact ND1-OG 2.87Å; H719-S721 PolarHBondContact O-N 3.39Å; H719-F722 HydrophobicContact CB-CD1 4.29Å; H719-F722 HydrophobicContact CB-CD2 4.38Å; H719-F722 HydrophobicContact CB-CE1 4.07Å; H719-F722 HydrophobicContact CB-CE2 4.18Å; H719-F722 HydrophobicContact CB-CG 4.43Å; H719-F722 HydrophobicContact CB-CZ 4.01Å; H719-F722 WeakPolarHBondContact O-CB 2.98Å; H719-F722 WeakPolarHBondContact O-CG 3.02Å; H719-F722 PolarHBondContact O-N 2.84Å; H719-F722 VanDerWaalsContact O-N 3.1Å; H719-I764 HydrophobicContact CB-CD1 4.06Å; H719-I764 VanDerWaalsContact ND1-CD1 3.29Å; H719-I764 WeakPolarHBondContact ND1-CD1 3.06Å
720	K	89.9	Confident	94	Very high	155 Å²	155	50.1 Å²	50.1	67%	0.674	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-56.9	-36.7	-179	-172.1	177.6	-171	-71.5	0	111.9	F722 G723 E750	K720-F722 PolarHBondContact O-N 2.93Å; K720-F722 VanDerWaalsContact O-N 3.15Å; K720-G723 PolarHBondContact O-N 3.48Å; K720-E750 IonicContact NZ-OE1 3.96Å; K720-E750 PolarHBondContact NZ-OE1 3.27Å; K720-E750 IonicContact NZ-OE2 2.74Å; K720-E750 VanDerWaalsContact O-CG 3.31Å; K720-E750 WeakPolarHBondContact O-CG 3.42Å
721	S	91.1	Very high	94.2	Very high	37 Å²	37	47.7 Å²	47.7	26%	0.259	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20.4	-179.9	-45.8	0	0	0	0	114.9	H719 G723 N741 F755	H719-S721 PolarHBondContact CE1-OG 2.93Å; H719-S721 WeakPolarHBondContact ND1-CB 3.34Å; H719-S721 PolarHBondContact ND1-N 2.9Å; H719-S721 PolarHBondContact ND1-OG 2.87Å; H719-S721 PolarHBondContact O-N 3.39Å; S721-G723 PolarHBondContact O-N 2.76Å; S721-N741 PolarHBondContact O-ND2 2.95Å; S721-F755 VanDerWaalsContact O-CZ 3.27Å; S721-F755 WeakPolarHBondContact O-CZ 3.48Å
722	F	92.3	Very high	94.3	Very high	1 Å²	1	47.5 Å²	47.5	0%	0.004	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-66	-21.1	174	-58.6	-19.6	0	0	0	111.8	I717 H719 K720 L726 N741 F755 M757 I764	I717-F722 HydrophobicContact CG2-CZ 4.46Å; H719-F722 HydrophobicContact CB-CD1 4.29Å; H719-F722 HydrophobicContact CB-CD2 4.38Å; H719-F722 HydrophobicContact CB-CE1 4.07Å; H719-F722 HydrophobicContact CB-CE2 4.18Å; H719-F722 HydrophobicContact CB-CG 4.43Å; H719-F722 HydrophobicContact CB-CZ 4.01Å; H719-F722 WeakPolarHBondContact O-CB 2.98Å; H719-F722 WeakPolarHBondContact O-CG 3.02Å; H719-F722 PolarHBondContact O-N 2.84Å; H719-F722 VanDerWaalsContact O-N 3.1Å; K720-F722 PolarHBondContact O-N 2.93Å; K720-F722 VanDerWaalsContact O-N 3.15Å; F722-L726 HydrophobicContact CB-CD1 4.19Å; F722-L726 HydrophobicContact CD1-CD1 4.01Å; F722-L726 HydrophobicContact CD2-CD1 4.32Å; F722-L726 HydrophobicContact CD2-CD2 4.2Å; F722-L726 HydrophobicContact CE1-CD1 4.48Å; F722-L726 HydrophobicContact CE2-CD2 4.22Å; F722-L726 HydrophobicContact CG-CD1 3.94Å; F722-N741 VanDerWaalsContact O-CB 3.25Å; F722-N741 WeakPolarHBondContact O-CB 3.41Å; F722-N741 PolarHBondContact O-ND2 2.82Å; F722-F755 HydrophobicContact CD1-CD2 4.01Å; F722-F755 HydrophobicContact CD1-CE1 4.45Å; F722-F755 AromaticContact CD1-CE2 3.95Å; F722-F755 HydrophobicContact CD1-CE2 3.95Å; F722-F755 HydrophobicContact CD1-CG 4.31Å; F722-F755 HydrophobicContact CD1-CZ 4.17Å; F722-F755 HydrophobicContact CE1-CD2 4.19Å; F722-F755 HydrophobicContact CE1-CG 4.18Å; F722-M757 HydrophobicContact CE1-CE 3.87Å; F722-M757 HydrophobicContact CE1-SD 3.76Å; F722-M757 HydrophobicContact CZ-CE 3.68Å; F722-M757 HydrophobicContact CZ-SD 3.53Å; F722-M757 VanDerWaalsContact CZ-SD 3.53Å; F722-I764 HydrophobicContact CE1-CD1 4.45Å
723	G	88.8	Confident	93.9	Very high	22 Å²	22	44.8 Å²	44.8	23%	0.227	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	-141.4	-168	0	0	0	0	0	110.7	K720 S721	K720-G723 PolarHBondContact O-N 3.48Å; S721-G723 PolarHBondContact O-N 2.76Å
724	R	87.2	Confident	93.3	Very high	122 Å²	122	44.7 Å²	44.7	46%	0.46	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-22.4	179.8	-70.2	179.7	59.2	-176.1	-6.3	114.9	R698 E699 G701 Y745 E748	R698-R724 VanDerWaalsContact O-O 3.05Å; E699-R724 CarbonylContact C-O 3.57Å; G701-R724 WeakPolarHBondContact CA-O 3.13Å; G701-R724 PolarHBondContact N-O 2.02Å; R724-Y745 HydrophobicContact CB-CD2 3.94Å; R724-Y745 HydrophobicContact CB-CE2 4.16Å; R724-Y745 HydrophobicContact CG-CD2 4.38Å; R724-E748 WeakPolarHBondContact CD-OE1 3.46Å
725	E	91.9	Very high	93.1	Very high	21 Å²	21	42 Å²	42	10%	0.098	22%	0.223	C	C	.	.			trans	-120.2	125.2	-173.6	-71.2	-174.7	-159.5	0	0	111.6	R698 F727 N741 G742 Y745	R698-E725 HydrophobicContact CG-CB 4.41Å; R698-E725 IonicContact CZ-OE2 2.68Å; R698-E725 IonicContact NE-OE2 3.79Å; R698-E725 IonicContact NH2-OE1 3.17Å; R698-E725 PolarHBondContact NH2-OE1 2.9Å; R698-E725 IonicContact NH2-OE2 3.08Å; R698-E725 PolarHBondContact NH2-OE2 2.85Å; R698-E725 VanDerWaalsContact O-CA 3.24Å; R698-E725 WeakPolarHBondContact O-CA 3.45Å; E725-F727 HydrophobicContact CB-CD2 4.46Å; E725-F727 HydrophobicContact CB-CE2 4.21Å; E725-F727 WeakPolarHBondContact OE2-CE2 3.24Å; E725-N741 CarbonylContact O-C 3.56Å; E725-N741 VanDerWaalsContact O-CA 3.26Å; E725-N741 WeakPolarHBondContact O-CA 3.44Å; E725-N741 VanDerWaalsContact O-CB 3.28Å; E725-N741 WeakPolarHBondContact O-CB 3.2Å; E725-G742 PolarHBondContact O-N 2.82Å; E725-Y745 HydrophobicContact CG-CE2 4.05Å; E725-Y745 WeakPolarHBondContact OE1-CE2 3.37Å; E725-Y745 VanDerWaalsContact OE1-CZ 3.27Å; E725-Y745 PolarHBondContact OE1-OH 3.19Å
726	L	95.3	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	106.2	172.6	-166.1	75.7	0	0	0	109.8	R698 I703 F722 A739 V740 N741	R698-L726 VanDerWaalsContact CA-O 3.25Å; R698-L726 WeakPolarHBondContact CA-O 3.08Å; R698-L726 WeakPolarHBondContact CB-O 3.09Å; R698-L726 PolarHBondContact O-N 3.4Å; R698-L726 VanDerWaalsContact O-N 3.07Å; I703-L726 HydrophobicContact CD1-CD2 4.04Å; I703-L726 HydrophobicContact CG1-CD2 3.39Å; F722-L726 HydrophobicContact CB-CD1 4.19Å; F722-L726 HydrophobicContact CD1-CD1 4.01Å; F722-L726 HydrophobicContact CD2-CD1 4.32Å; F722-L726 HydrophobicContact CD2-CD2 4.2Å; F722-L726 HydrophobicContact CE1-CD1 4.48Å; F722-L726 HydrophobicContact CE2-CD2 4.22Å; F722-L726 HydrophobicContact CG-CD1 3.94Å; L726-A739 HydrophobicContact CD1-CB 4.16Å; L726-V740 WeakPolarHBondContact CD1-O 3.41Å; L726-N741 HydrophobicContact CD1-CB 4.35Å
727	F	96.4	Very high	93.1	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-53.5	-170	-86.6	-106.6	0	0	0	112.3	H682 S683 R698 E725 V740 G742 M777 H779	H682-F727 AromaticContact CE1-CD1 3.55Å; H682-F727 PolarHBondContact ND1-O 2.04Å; H682-F727 AromaticContact NE2-CD1 3.8Å; S683-F727 WeakPolarHBondContact CB-O 3.44Å; R698-F727 HydrophobicContact CG-CD2 4.45Å; R698-F727 VanDerWaalsContact NE-CE2 3.28Å; E725-F727 HydrophobicContact CB-CD2 4.46Å; E725-F727 HydrophobicContact CB-CE2 4.21Å; E725-F727 WeakPolarHBondContact OE2-CE2 3.24Å; F727-V740 HydrophobicContact CB-CG2 4.47Å; F727-V740 PolarHBondContact N-O 2.92Å; F727-G742 VanDerWaalsContact CE2-CA 3.44Å; F727-M777 HydrophobicContact CE1-CE 4.09Å; F727-M777 HydrophobicContact CE1-CG 4.26Å; F727-M777 HydrophobicContact CE1-SD 4.43Å; F727-M777 HydrophobicContact CZ-CE 4.24Å; F727-M777 HydrophobicContact CZ-CG 4.05Å; F727-M777 HydrophobicContact CZ-SD 4.06Å; F727-H779 HydrophobicContact CD1-CB 4.5Å
728	A	98	Very high	93.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.2	-169.5	0	0	0	0	0	114.4	A739 V740 D780 V781	A728-A739 WeakPolarHBondContact O-CA 3.41Å; A728-A739 WeakPolarHBondContact O-CB 3.43Å; A728-V740 HydrophobicContact CB-CG2 3.97Å; A728-V740 PolarHBondContact O-N 3.05Å; A728-V740 VanDerWaalsContact O-N 3.17Å; A728-D780 HydrophobicContact CB-CB 4.46Å; A728-D780 WeakPolarHBondContact CB-OD1 3.22Å; A728-V781 HydrophobicContact CB-CG1 3.93Å
729	V	98.3	Very high	93.4	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	134.5	-173.9	64.3	0	0	0	0	111	S683 T685 A696 I703 L737 F738	S683-V729 PolarHBondContact OG-N 3.27Å; T685-V729 WeakPolarHBondContact CB-O 3.4Å; T685-V729 HydrophobicContact CG2-CG1 4.07Å; T685-V729 HydrophobicContact CG2-CG2 3.9Å; A696-V729 HydrophobicContact CB-CB 4.34Å; A696-V729 HydrophobicContact CB-CG1 3.97Å; I703-V729 HydrophobicContact CD1-CG2 3.89Å; I703-V729 HydrophobicContact CG1-CG2 4.49Å; V729-L737 HydrophobicContact CG2-CD1 3.82Å; V729-L737 HydrophobicContact CG2-CD2 3.71Å; V729-L737 HydrophobicContact CG2-CG 3.78Å; V729-F738 CarbonylContact C-O 3.58Å; V729-F738 WeakPolarHBondContact CA-O 3.48Å
730	S	98	Very high	93.6	Very high	13 Å²	13	27.8 Å²	27.8	9%	0.091	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.7	-179.6	-161.5	0	0	0	0	110.7	L737 F738 V781 A783	S730-L737 CarbonylContact O-C 3.5Å; S730-L737 WeakPolarHBondContact O-CA 3.25Å; S730-F738 PolarHBondContact N-O 3.24Å; S730-F738 PolarHBondContact O-N 3.35Å; S730-V781 WeakPolarHBondContact CB-O 3.29Å; S730-A783 PolarHBondContact OG-N 2.99Å
731	Y	97	Very high	93.9	Very high	17 Å²	17	20.5 Å²	20.5	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.3	178.2	178.4	-100.7	0	0	0	111.6	T685 L686 V687 D689 G735 L736 L737 F759	T685-Y731 PolarHBondContact OG1-N 3.44Å; L686-Y731 WeakPolarHBondContact O-CD1 3.47Å; V687-Y731 HydrophobicContact CB-CD1 4.31Å; V687-Y731 HydrophobicContact CB-CE1 4.48Å; V687-Y731 HydrophobicContact CB-CG 4.39Å; V687-Y731 HydrophobicContact CG1-CD1 4.04Å; V687-Y731 HydrophobicContact CG1-CD2 4.05Å; V687-Y731 HydrophobicContact CG1-CE1 3.79Å; V687-Y731 HydrophobicContact CG1-CE2 3.79Å; V687-Y731 HydrophobicContact CG1-CG 4.16Å; V687-Y731 HydrophobicContact CG2-CD1 4.31Å; V687-Y731 HydrophobicContact CG2-CD2 4.17Å; V687-Y731 HydrophobicContact CG2-CG 3.94Å; D689-Y731 PolarHBondContact OD2-OH 2.84Å; Y731-G735 PolarHBondContact OH-N 3.07Å; Y731-L736 VanDerWaalsContact CD2-O 3.22Å; Y731-L736 WeakPolarHBondContact CD2-O 3.31Å; Y731-L737 HydrophobicContact CD2-CB 4.41Å; Y731-F759 HydrophobicContact CD2-CB 4.48Å; Y731-F759 AromaticContact CD2-CD2 3.94Å; Y731-F759 HydrophobicContact CD2-CD2 3.94Å; Y731-F759 HydrophobicContact CD2-CG 4.32Å; Y731-F759 HydrophobicContact CE2-CB 3.92Å; Y731-F759 AromaticContact CE2-CD2 3.98Å; Y731-F759 HydrophobicContact CE2-CD2 3.98Å; Y731-F759 AromaticContact CE2-CG 3.89Å; Y731-F759 HydrophobicContact CE2-CG 3.89Å
732	V	93.8	Very high	93.7	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130	173.2	179	0	0	0	0	109.1	G735 L736 F738 A783 E785	V732-G735 PolarHBondContact O-N 2.82Å; V732-L736 PolarHBondContact N-O 3.22Å; V732-L736 PolarHBondContact O-N 2.92Å; V732-F738 HydrophobicContact CB-CE2 4.25Å; V732-F738 HydrophobicContact CG2-CD2 4Å; V732-F738 HydrophobicContact CG2-CE2 3.65Å; V732-A783 HydrophobicContact CG2-CB 3.63Å; V732-E785 HydrophobicContact CG1-CG 4.46Å
733	P	87.9	Confident	93.1	Very high	68 Å²	68	23.7 Å²	23.7	44%	0.442	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	144.1	176	-29	35.9	0	0	0	113.1
734	G	83.8	Confident	92.2	Very high	73 Å²	73	24.6 Å²	24.6	75%	0.753	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	5.7	-168.9	0	0	0	0	0	114.3	D689	D689-G734 PolarHBondContact OD2-N 3.15Å
735	G	91	Very high	91.2	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	21.9	162.5	0	0	0	0	0	116.1	Y731 V732 F759	Y731-G735 PolarHBondContact OH-N 3.07Å; V732-G735 PolarHBondContact O-N 2.82Å; G735-F759 WeakPolarHBondContact O-CB 3.28Å; G735-F759 PolarHBondContact O-N 3.3Å
736	L	94.7	Very high	89.4	Confident	33 Å²	33	25.4 Å²	25.4	17%	0.173	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141	170.2	-66.1	-178.4	0	0	0	110.7	F492 Y731 V732 F738 V756 I765 K787	F492-L736 HydrophobicContact CZ-CD1 4.49Å; Y731-L736 VanDerWaalsContact CD2-O 3.22Å; Y731-L736 WeakPolarHBondContact CD2-O 3.31Å; V732-L736 PolarHBondContact N-O 3.22Å; V732-L736 PolarHBondContact O-N 2.92Å; L736-F738 HydrophobicContact CB-CE2 3.99Å; L736-F738 HydrophobicContact CB-CZ 4.5Å; L736-F738 HydrophobicContact CD1-CZ 4.42Å; L736-V756 HydrophobicContact CD2-CG1 4.35Å; L736-I765 HydrophobicContact CD2-CD1 3.55Å; L736-K787 HydrophobicContact CD1-CD 4.41Å
737	L	96.8	Very high	87.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.8	174.7	179.1	158.8	0	0	0	109	I703 I717 V729 S730 Y731 A739 M757 F759	I703-L737 HydrophobicContact CD1-CD1 4.31Å; I703-L737 HydrophobicContact CD1-CD2 3.68Å; I717-L737 HydrophobicContact CD1-CD1 4.41Å; V729-L737 HydrophobicContact CG2-CD1 3.82Å; V729-L737 HydrophobicContact CG2-CD2 3.71Å; V729-L737 HydrophobicContact CG2-CG 3.78Å; S730-L737 CarbonylContact O-C 3.5Å; S730-L737 WeakPolarHBondContact O-CA 3.25Å; Y731-L737 HydrophobicContact CD2-CB 4.41Å; L737-A739 HydrophobicContact CD2-CB 4.37Å; L737-M757 HydrophobicContact CD2-CB 4.46Å; L737-M757 HydrophobicContact CD2-CE 3.36Å; L737-M757 PolarHBondContact N-O 2.76Å; L737-M757 PolarHBondContact O-N 3.4Å; L737-F759 HydrophobicContact CB-CD2 4.46Å; L737-F759 HydrophobicContact CD1-CD2 3.87Å; L737-F759 HydrophobicContact CD1-CE2 4.21Å
738	F	97.9	Very high	86.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.4	178.5	-60.6	-97.6	0	0	0	109.3	V729 S730 V732 L736 F755 V756 F768 V781 A783 V789	V729-F738 CarbonylContact C-O 3.58Å; V729-F738 WeakPolarHBondContact CA-O 3.48Å; S730-F738 PolarHBondContact N-O 3.24Å; S730-F738 PolarHBondContact O-N 3.35Å; V732-F738 HydrophobicContact CB-CE2 4.25Å; V732-F738 HydrophobicContact CG2-CD2 4Å; V732-F738 HydrophobicContact CG2-CE2 3.65Å; L736-F738 HydrophobicContact CB-CE2 3.99Å; L736-F738 HydrophobicContact CB-CZ 4.5Å; L736-F738 HydrophobicContact CD1-CZ 4.42Å; F738-F755 VanDerWaalsContact CA-O 3.3Å; F738-F755 WeakPolarHBondContact CA-O 3.47Å; F738-V756 HydrophobicContact CD1-CB 4.38Å; F738-V756 HydrophobicContact CD1-CG1 4.07Å; F738-V756 HydrophobicContact CD1-CG2 3.86Å; F738-V756 HydrophobicContact CE1-CB 4.24Å; F738-V756 HydrophobicContact CE1-CG1 3.64Å; F738-V756 HydrophobicContact CE1-CG2 3.68Å; F738-V756 HydrophobicContact CZ-CG1 3.9Å; F738-F768 HydrophobicContact CD1-CE1 4.18Å; F738-V781 HydrophobicContact CB-CG2 4.32Å; F738-A783 HydrophobicContact CD1-CB 4.4Å; F738-A783 HydrophobicContact CD2-CB 3.47Å; F738-A783 VanDerWaalsContact CD2-CB 3.47Å; F738-A783 HydrophobicContact CE2-CB 3.65Å; F738-A783 HydrophobicContact CG-CB 3.89Å; F738-A783 HydrophobicContact CZ-CB 4.19Å; F738-V789 HydrophobicContact CD1-CG1 4.28Å; F738-V789 HydrophobicContact CD1-CG2 3.66Å; F738-V789 HydrophobicContact CE1-CG2 3.43Å; F738-V789 VanDerWaalsContact CE1-CG2 3.43Å; F738-V789 HydrophobicContact CG-CG2 4.49Å; F738-V789 HydrophobicContact CZ-CG2 4.12Å
739	A	98.1	Very high	84.5	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.8	176.5	0	0	0	0	0	111.8	L726 A728 L737 G754 F755 M757	L726-A739 HydrophobicContact CD1-CB 4.16Å; A728-A739 WeakPolarHBondContact O-CA 3.41Å; A728-A739 WeakPolarHBondContact O-CB 3.43Å; L737-A739 HydrophobicContact CD2-CB 4.37Å; A739-G754 CarbonylContact O-C 3.47Å; A739-G754 VanDerWaalsContact O-CA 3.3Å; A739-G754 WeakPolarHBondContact O-CA 3.48Å; A739-F755 PolarHBondContact N-O 3.03Å; A739-F755 PolarHBondContact O-N 3.33Å; A739-M757 HydrophobicContact CB-CE 3.77Å
740	V	97.7	Very high	83.6	Confident	0 Å²	0	37 Å²	37	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.1	175.8	-69.8	0	0	0	0	111.4	L726 F727 A728 P778 V781 V791	L726-V740 WeakPolarHBondContact CD1-O 3.41Å; F727-V740 HydrophobicContact CB-CG2 4.47Å; F727-V740 PolarHBondContact N-O 2.92Å; A728-V740 HydrophobicContact CB-CG2 3.97Å; A728-V740 PolarHBondContact O-N 3.05Å; A728-V740 VanDerWaalsContact O-N 3.17Å; V740-P778 HydrophobicContact CB-CB 4.21Å; V740-P778 HydrophobicContact CB-CG 4.36Å; V740-P778 HydrophobicContact CG1-CB 4.48Å; V740-P778 HydrophobicContact CG2-CB 4.38Å; V740-V781 HydrophobicContact CG1-CB 4.14Å; V740-V781 HydrophobicContact CG1-CG1 4.47Å; V740-V781 HydrophobicContact CG1-CG2 4.48Å; V740-V781 HydrophobicContact CG2-CB 4.26Å; V740-V781 HydrophobicContact CG2-CG1 4.17Å; V740-V791 HydrophobicContact CG1-CG1 4.12Å; V740-V791 HydrophobicContact CG1-CG2 4Å
741	N	95.3	Very high	83.1	Confident	2 Å²	2	40 Å²	40	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	162.3	177.2	66	-22.1	0	0	0	113.4	S721 F722 E725 L726 P751 V752 Q753 F755 P778	S721-N741 PolarHBondContact O-ND2 2.95Å; F722-N741 VanDerWaalsContact O-CB 3.25Å; F722-N741 WeakPolarHBondContact O-CB 3.41Å; F722-N741 PolarHBondContact O-ND2 2.82Å; E725-N741 CarbonylContact O-C 3.56Å; E725-N741 VanDerWaalsContact O-CA 3.26Å; E725-N741 WeakPolarHBondContact O-CA 3.44Å; E725-N741 VanDerWaalsContact O-CB 3.28Å; E725-N741 WeakPolarHBondContact O-CB 3.2Å; L726-N741 HydrophobicContact CD1-CB 4.35Å; N741-P751 PolarHBondContact ND2-O 2.53Å; N741-V752 WeakPolarHBondContact OD1-CA 3.14Å; N741-Q753 PolarHBondContact N-O 3.01Å; N741-Q753 PolarHBondContact OD1-N 3.32Å; N741-Q753 PolarHBondContact OD1-O 2.82Å; N741-F755 HydrophobicContact CB-CE2 3.88Å; N741-F755 HydrophobicContact CB-CZ 4.47Å; N741-P778 WeakPolarHBondContact O-CG 3.21Å
742	G	86.9	Confident	82.8	Confident	3 Å²	3	40.3 Å²	40.3	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-76.5	173.4	173.4	0	0	0	0	0	113.5	E725 F727	E725-G742 PolarHBondContact O-N 2.82Å; F727-G742 VanDerWaalsContact CE2-CA 3.44Å
743	M	79.5	Confident	82.9	Confident	102 Å²	102	41.2 Å²	41.2	50%	0.502	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-57.5	129	167	-73.7	-69.9	-67.8	0	0	109.8	Y745 V752 E776	M743-Y745 PolarHBondContact O-N 2.67Å; M743-V752 HydrophobicContact CG-CG2 4.38Å; M743-V752 HydrophobicContact SD-CG2 3.61Å; M743-E776 VanDerWaalsContact CG-O 3.28Å; M743-E776 WeakPolarHBondContact CG-O 3.49Å
744	P	71.6	Confident	83.3	Confident	41 Å²	41	38 Å²	38	27%	0.266	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-59.6	140.6	178.8	23.7	-34	0	0	0	110.7	E748 E750	P744-E748 HydrophobicContact CB-CB 3.88Å; P744-E750 WeakPolarHBondContact CB-O 3.5Å; P744-E750 WeakPolarHBondContact CG-O 3.38Å
745	Y	66.2	Low	83.9	Confident	75 Å²	75	34.5 Å²	34.5	29%	0.294	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-61.5	144.4	169.5	-81.5	-94.1	0	0	0	108.1	R724 E725 M743 G747 E748	R724-Y745 HydrophobicContact CB-CD2 3.94Å; R724-Y745 HydrophobicContact CB-CE2 4.16Å; R724-Y745 HydrophobicContact CG-CD2 4.38Å; E725-Y745 HydrophobicContact CG-CE2 4.05Å; E725-Y745 WeakPolarHBondContact OE1-CE2 3.37Å; E725-Y745 VanDerWaalsContact OE1-CZ 3.27Å; E725-Y745 PolarHBondContact OE1-OH 3.19Å; M743-Y745 PolarHBondContact O-N 2.67Å; Y745-G747 PolarHBondContact O-N 3.37Å; Y745-E748 PolarHBondContact N-OE2 3.15Å; Y745-E748 WeakPolarHBondContact O-CB 3.35Å; Y745-E748 PolarHBondContact O-N 3.4Å
746	P	54	Low	84.2	Confident	86 Å²	86	34.2 Å²	34.2	56%	0.558	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-1.2	-158.2	-30.5	38.8	0	0	0	118.3	K225	K225-P746 HydrophobicContact CB-CB 3.88Å; K225-P746 HydrophobicContact CD-CB 3.8Å; K225-P746 VanDerWaalsContact CD-O 3.23Å; K225-P746 WeakPolarHBondContact CD-O 3.31Å; K225-P746 WeakPolarHBondContact CE-O 3.32Å; K225-P746 HydrophobicContact CG-CB 3.47Å; K225-P746 VanDerWaalsContact CG-CB 3.47Å; K225-P746 PolarHBondContact NZ-O 3.33Å
747	G	53.6	Low	84.2	Confident	69 Å²	69	32.6 Å²	32.6	71%	0.711	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.6	170.5	0	0	0	0	0	115.1	Y745	Y745-G747 PolarHBondContact O-N 3.37Å
748	E	68	Low	84.1	Confident	62 Å²	62	35.1 Å²	35.1	29%	0.29	22%	0.219	S	C	.	.			trans	-93.8	152.2	-174.7	-74.9	146.7	-148.4	0	0	111.9	R724 P744 Y745	R724-E748 WeakPolarHBondContact CD-OE1 3.46Å; P744-E748 HydrophobicContact CB-CB 3.88Å; Y745-E748 PolarHBondContact N-OE2 3.15Å; Y745-E748 WeakPolarHBondContact O-CB 3.35Å; Y745-E748 PolarHBondContact O-N 3.4Å
749	A	64.3	Low	84	Confident	92 Å²	92	35.2 Å²	35.2	76%	0.76	22%	0.219	S	C	*	.			trans	-109.1	-0.6	-175.2	0	0	0	0	0	112.5	P751	A749-P751 WeakPolarHBondContact O-CD 3.1Å
750	E	79.7	Confident	83.6	Confident	26 Å²	26	39 Å²	39	12%	0.121	25%	0.246	C	C	.	.			trans	-71.3	112.1	178.1	-74.1	59	-146.9	0	0	110	K720 P744	K720-E750 IonicContact NZ-OE1 3.96Å; K720-E750 PolarHBondContact NZ-OE1 3.27Å; K720-E750 IonicContact NZ-OE2 2.74Å; K720-E750 VanDerWaalsContact O-CG 3.31Å; K720-E750 WeakPolarHBondContact O-CG 3.42Å; P744-E750 WeakPolarHBondContact CB-O 3.5Å; P744-E750 WeakPolarHBondContact CG-O 3.38Å
751	P	86.9	Confident	83.4	Confident	76 Å²	76	42.8 Å²	42.8	49%	0.494	27%	0.269	S	S	.	.			trans	-75.5	155.4	-179.8	30.6	-32.7	0	0	0	111.5	N741 A749 Q753	N741-P751 PolarHBondContact ND2-O 2.53Å; A749-P751 WeakPolarHBondContact O-CD 3.1Å; P751-Q753 PolarHBondContact O-N 2.83Å; P751-Q753 PolarHBondContact O-NE2 3.06Å
752	V	91.9	Very high	83.2	Confident	25 Å²	25	43.4 Å²	43.4	15%	0.152	28%	0.276	C	S	.	.			trans	-74	119.6	172.7	-169.1	0	0	0	0	109.4	N741 M743 F775 P778	N741-V752 WeakPolarHBondContact OD1-CA 3.14Å; M743-V752 HydrophobicContact CG-CG2 4.38Å; M743-V752 HydrophobicContact SD-CG2 3.61Å; V752-F775 HydrophobicContact CB-CB 4.43Å; V752-F775 HydrophobicContact CG1-CB 3.76Å; V752-F775 HydrophobicContact CG1-CD2 4.05Å; V752-F775 HydrophobicContact CG1-CG 4.32Å; V752-P778 HydrophobicContact CG1-CG 3.55Å
753	Q	94.6	Very high	83.5	Confident	26 Å²	26	49.3 Å²	49.3	12%	0.121	30%	0.303	C	S	.	.			trans	-159.1	159.5	-173.1	66.5	-158.4	-41.4	0	0	111	N741 P751 F755	N741-Q753 PolarHBondContact N-O 3.01Å; N741-Q753 PolarHBondContact OD1-N 3.32Å; N741-Q753 PolarHBondContact OD1-O 2.82Å; P751-Q753 PolarHBondContact O-N 2.83Å; P751-Q753 PolarHBondContact O-NE2 3.06Å; Q753-F755 HydrophobicContact CG-CD1 4.28Å; Q753-F755 HydrophobicContact CG-CE1 3.56Å; Q753-F755 HydrophobicContact CG-CE2 3.9Å; Q753-F755 HydrophobicContact CG-CZ 3.33Å; Q753-F755 WeakPolarHBondContact O-CE2 3.24Å
754	G	96.8	Very high	84.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	149.4	161.6	0	0	0	0	0	111.3	A739 T767 F768	A739-G754 CarbonylContact O-C 3.47Å; A739-G754 VanDerWaalsContact O-CA 3.3Å; A739-G754 WeakPolarHBondContact O-CA 3.48Å; G754-T767 CarbonylContact O-C 3.15Å; G754-T767 VanDerWaalsContact O-CA 3.29Å; G754-T767 WeakPolarHBondContact O-CA 3.43Å; G754-F768 PolarHBondContact N-O 2.85Å; G754-F768 PolarHBondContact O-N 2.94Å
755	F	97.1	Very high	85.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.3	176.4	-54.2	-84.7	0	0	0	109.3	S721 F722 F738 A739 N741 Q753 M757 I764 T767	S721-F755 VanDerWaalsContact O-CZ 3.27Å; S721-F755 WeakPolarHBondContact O-CZ 3.48Å; F722-F755 HydrophobicContact CD1-CD2 4.01Å; F722-F755 HydrophobicContact CD1-CE1 4.45Å; F722-F755 AromaticContact CD1-CE2 3.95Å; F722-F755 HydrophobicContact CD1-CE2 3.95Å; F722-F755 HydrophobicContact CD1-CG 4.31Å; F722-F755 HydrophobicContact CD1-CZ 4.17Å; F722-F755 HydrophobicContact CE1-CD2 4.19Å; F722-F755 HydrophobicContact CE1-CG 4.18Å; F738-F755 VanDerWaalsContact CA-O 3.3Å; F738-F755 WeakPolarHBondContact CA-O 3.47Å; A739-F755 PolarHBondContact N-O 3.03Å; A739-F755 PolarHBondContact O-N 3.33Å; N741-F755 HydrophobicContact CB-CE2 3.88Å; N741-F755 HydrophobicContact CB-CZ 4.47Å; Q753-F755 HydrophobicContact CG-CD1 4.28Å; Q753-F755 HydrophobicContact CG-CE1 3.56Å; Q753-F755 HydrophobicContact CG-CE2 3.9Å; Q753-F755 HydrophobicContact CG-CZ 3.33Å; Q753-F755 WeakPolarHBondContact O-CE2 3.24Å; F755-M757 HydrophobicContact CB-CE 4.36Å; F755-M757 HydrophobicContact CB-CG 4.33Å; F755-I764 HydrophobicContact CD1-CD1 3.75Å; F755-I764 HydrophobicContact CD1-CG1 4.36Å; F755-I764 HydrophobicContact CD1-CG2 4.39Å; F755-I764 HydrophobicContact CE1-CD1 4.25Å; F755-T767 HydrophobicContact CD1-CG2 3.74Å; F755-T767 HydrophobicContact CE1-CG2 4.09Å
756	V	96.9	Very high	86.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127	164.3	-162.8	0	0	0	0	108.3	F492 I494 L736 F738 I765 D766 F768	F492-V756 HydrophobicContact CE1-CB 4.25Å; F492-V756 HydrophobicContact CE1-CG1 3.89Å; F492-V756 HydrophobicContact CE1-CG2 4.4Å; F492-V756 HydrophobicContact CZ-CG1 4.13Å; I494-V756 HydrophobicContact CG1-CG2 3.72Å; L736-V756 HydrophobicContact CD2-CG1 4.35Å; F738-V756 HydrophobicContact CD1-CB 4.38Å; F738-V756 HydrophobicContact CD1-CG1 4.07Å; F738-V756 HydrophobicContact CD1-CG2 3.86Å; F738-V756 HydrophobicContact CE1-CB 4.24Å; F738-V756 HydrophobicContact CE1-CG1 3.64Å; F738-V756 HydrophobicContact CE1-CG2 3.68Å; F738-V756 HydrophobicContact CZ-CG1 3.9Å; V756-I765 PolarHBondContact O-N 2.82Å; V756-D766 HydrophobicContact CB-CB 4.19Å; V756-D766 HydrophobicContact CG2-CB 4.12Å; V756-D766 PolarHBondContact N-O 3.38Å; V756-D766 PolarHBondContact O-N 3.16Å; V756-F768 HydrophobicContact CG2-CD1 3.93Å; V756-F768 HydrophobicContact CG2-CE1 3.96Å
757	M	95.5	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.6	-172.2	-64.9	-173.3	-83.9	0	0	111.9	I703 I717 F722 L737 A739 F755 F759 E763 I764	I703-M757 HydrophobicContact CD1-CE 3.78Å; I717-M757 HydrophobicContact CG2-SD 4.27Å; F722-M757 HydrophobicContact CE1-CE 3.87Å; F722-M757 HydrophobicContact CE1-SD 3.76Å; F722-M757 HydrophobicContact CZ-CE 3.68Å; F722-M757 HydrophobicContact CZ-SD 3.53Å; F722-M757 VanDerWaalsContact CZ-SD 3.53Å; L737-M757 HydrophobicContact CD2-CB 4.46Å; L737-M757 HydrophobicContact CD2-CE 3.36Å; L737-M757 PolarHBondContact N-O 2.76Å; L737-M757 PolarHBondContact O-N 3.4Å; A739-M757 HydrophobicContact CB-CE 3.77Å; F755-M757 HydrophobicContact CB-CE 4.36Å; F755-M757 HydrophobicContact CB-CG 4.33Å; M757-F759 PolarHBondContact O-N 3.44Å; M757-E763 CarbonylContact C-O 3.5Å; M757-E763 VanDerWaalsContact CA-O 3.25Å; M757-E763 WeakPolarHBondContact CA-O 3.49Å; M757-I764 HydrophobicContact CG-CB 4.4Å; M757-I764 HydrophobicContact CG-CG1 3.82Å; M757-I764 HydrophobicContact SD-CG1 4Å
758	N	93.8	Very high	90.5	Very high	52 Å²	52	39.9 Å²	39.9	28%	0.278	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.6	167.7	-173.8	-79	0	0	0	108.3	S760 T761 G762 E763 I765	N758-S760 PolarHBondContact O-N 2.87Å; N758-S760 WeakPolarHBondContact OD1-CA 3.3Å; N758-S760 WeakPolarHBondContact OD1-CB 3.23Å; N758-S760 PolarHBondContact OD1-N 2.83Å; N758-T761 PolarHBondContact OD1-N 2.77Å; N758-G762 WeakPolarHBondContact O-CA 3.11Å; N758-G762 PolarHBondContact O-N 3.09Å; N758-E763 PolarHBondContact N-O 3.38Å; N758-I765 HydrophobicContact CB-CD1 4.01Å; N758-I765 HydrophobicContact CB-CG1 4.18Å
759	F	94.8	Very high	91.7	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-48.2	-179.4	-174.3	-96.2	0	0	0	111.2	V687 F690 R715 Y731 G735 L737 M757 T761	V687-F759 HydrophobicContact CB-CE2 4.28Å; V687-F759 HydrophobicContact CB-CZ 4.08Å; V687-F759 HydrophobicContact CG1-CD1 4.25Å; V687-F759 HydrophobicContact CG1-CD2 4.33Å; V687-F759 HydrophobicContact CG1-CE1 3.78Å; V687-F759 HydrophobicContact CG1-CE2 3.88Å; V687-F759 HydrophobicContact CG1-CZ 3.58Å; V687-F759 HydrophobicContact CG2-CD2 4.41Å; V687-F759 HydrophobicContact CG2-CE2 3.61Å; V687-F759 HydrophobicContact CG2-CZ 3.86Å; F690-F759 HydrophobicContact CB-CE1 4.25Å; F690-F759 HydrophobicContact CD1-CE1 4.44Å; F690-F759 AromaticContact CD2-CD1 3.72Å; F690-F759 HydrophobicContact CD2-CD1 3.72Å; F690-F759 AromaticContact CD2-CE1 3.56Å; F690-F759 HydrophobicContact CD2-CE1 3.56Å; F690-F759 AromaticContact CE2-CD1 3.61Å; F690-F759 HydrophobicContact CE2-CD1 3.61Å; F690-F759 AromaticContact CE2-CE1 3.94Å; F690-F759 HydrophobicContact CE2-CE1 3.94Å; F690-F759 HydrophobicContact CG-CD1 4.37Å; F690-F759 AromaticContact CG-CE1 3.85Å; F690-F759 HydrophobicContact CG-CE1 3.85Å; F690-F759 HydrophobicContact CZ-CD1 4.17Å; R715-F759 PolarHBondContact NH1-O 2.92Å; R715-F759 PolarHBondContact NH2-O 2.92Å; Y731-F759 HydrophobicContact CD2-CB 4.48Å; Y731-F759 AromaticContact CD2-CD2 3.94Å; Y731-F759 HydrophobicContact CD2-CD2 3.94Å; Y731-F759 HydrophobicContact CD2-CG 4.32Å; Y731-F759 HydrophobicContact CE2-CB 3.92Å; Y731-F759 AromaticContact CE2-CD2 3.98Å; Y731-F759 HydrophobicContact CE2-CD2 3.98Å; Y731-F759 AromaticContact CE2-CG 3.89Å; Y731-F759 HydrophobicContact CE2-CG 3.89Å; G735-F759 WeakPolarHBondContact O-CB 3.28Å; G735-F759 PolarHBondContact O-N 3.3Å; L737-F759 HydrophobicContact CB-CD2 4.46Å; L737-F759 HydrophobicContact CD1-CD2 3.87Å; L737-F759 HydrophobicContact CD1-CE2 4.21Å; M757-F759 PolarHBondContact O-N 3.44Å; F759-T761 PolarHBondContact O-N 2.98Å
760	S	91.5	Very high	93	Very high	79 Å²	79	35.9 Å²	35.9	55%	0.552	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-38.5	-172.7	-58.3	0	0	0	0	113.9	N758	N758-S760 PolarHBondContact O-N 2.87Å; N758-S760 WeakPolarHBondContact OD1-CA 3.3Å; N758-S760 WeakPolarHBondContact OD1-CB 3.23Å; N758-S760 PolarHBondContact OD1-N 2.83Å
761	T	92.6	Very high	93.3	Very high	80 Å²	80	40.2 Å²	40.2	49%	0.491	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-25.6	178.1	69.4	0	0	0	0	113.6	N758 F759 E763	N758-T761 PolarHBondContact OD1-N 2.77Å; F759-T761 PolarHBondContact O-N 2.98Å; T761-E763 VanDerWaalsContact C-N 3.26Å; T761-E763 WeakPolarHBondContact CB-OE2 3.41Å; T761-E763 WeakPolarHBondContact OG1-CB 3.44Å; T761-E763 WeakPolarHBondContact OG1-CG 3.47Å; T761-E763 PolarHBondContact OG1-N 3.02Å; T761-E763 PolarHBondContact OG1-OE2 3.15Å
762	G	91.3	Very high	92.8	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	24%	0.243	C	C	.	.			trans	76.8	9.2	-171.8	0	0	0	0	0	113.9	N758	N758-G762 WeakPolarHBondContact O-CA 3.11Å; N758-G762 PolarHBondContact O-N 3.09Å
763	E	92.9	Very high	92.5	Very high	127 Å²	127	49 Å²	49	59%	0.593	26%	0.261	S	S	*	.			trans	-84.4	144.1	-179.9	-64.3	166.1	130	0	0	111.6	M757 N758 T761 I765	M757-E763 CarbonylContact C-O 3.5Å; M757-E763 VanDerWaalsContact CA-O 3.25Å; M757-E763 WeakPolarHBondContact CA-O 3.49Å; N758-E763 PolarHBondContact N-O 3.38Å; T761-E763 VanDerWaalsContact C-N 3.26Å; T761-E763 WeakPolarHBondContact CB-OE2 3.41Å; T761-E763 WeakPolarHBondContact OG1-CB 3.44Å; T761-E763 WeakPolarHBondContact OG1-CG 3.47Å; T761-E763 PolarHBondContact OG1-N 3.02Å; T761-E763 PolarHBondContact OG1-OE2 3.15Å; E763-I765 PolarHBondContact O-N 3.22Å
764	I	94.6	Very high	92.1	Very high	45 Å²	45	52.9 Å²	52.9	23%	0.231	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	120.5	170.8	-60.5	166.7	0	0	0	108.7	H719 F722 F755 M757 D766 T767	H719-I764 HydrophobicContact CB-CD1 4.06Å; H719-I764 VanDerWaalsContact ND1-CD1 3.29Å; H719-I764 WeakPolarHBondContact ND1-CD1 3.06Å; F722-I764 HydrophobicContact CE1-CD1 4.45Å; F755-I764 HydrophobicContact CD1-CD1 3.75Å; F755-I764 HydrophobicContact CD1-CG1 4.36Å; F755-I764 HydrophobicContact CD1-CG2 4.39Å; F755-I764 HydrophobicContact CE1-CD1 4.25Å; M757-I764 HydrophobicContact CG-CB 4.4Å; M757-I764 HydrophobicContact CG-CG1 3.82Å; M757-I764 HydrophobicContact SD-CG1 4Å; I764-D766 WeakPolarHBondContact CG2-O 3.49Å; I764-T767 HydrophobicContact CG2-CG2 3.95Å
765	I	93.4	Very high	91.9	Very high	65 Å²	65	53.1 Å²	53.1	33%	0.333	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-46.8	174.9	-51.6	172.6	0	0	0	109.3	F492 L736 V756 N758 E763	F492-I765 HydrophobicContact CD1-CG2 3.85Å; F492-I765 HydrophobicContact CE1-CG2 4.34Å; L736-I765 HydrophobicContact CD2-CD1 3.55Å; V756-I765 PolarHBondContact O-N 2.82Å; N758-I765 HydrophobicContact CB-CD1 4.01Å; N758-I765 HydrophobicContact CB-CG1 4.18Å; E763-I765 PolarHBondContact O-N 3.22Å
766	D	94.4	Very high	91.6	Very high	11 Å²	11	57.3 Å²	57.3	6%	0.059	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	162.5	-170.7	-172.7	35.9	0	0	0	112	F492 H493 I494 V756 I764	F492-D766 HydrophobicContact CD1-CB 4.36Å; F492-D766 HydrophobicContact CE1-CB 4.25Å; H493-D766 VanDerWaalsContact CA-OD2 3.3Å; H493-D766 WeakPolarHBondContact CA-OD2 3.45Å; H493-D766 IonicContact CE1-OD1 3.06Å; H493-D766 IonicContact CE1-OD2 2.63Å; H493-D766 IonicContact CG-OD1 3.25Å; H493-D766 IonicContact CG-OD2 2.75Å; H493-D766 VanDerWaalsContact ND1-CG 3.3Å; H493-D766 IonicContact ND1-OD1 3.9Å; H493-D766 PolarHBondContact ND1-OD1 2.88Å; H493-D766 IonicContact ND1-OD2 3.12Å; H493-D766 PolarHBondContact ND1-OD2 2.87Å; H493-D766 VanDerWaalsContact ND1-OD2 3.08Å; I494-D766 PolarHBondContact N-OD2 2.74Å; V756-D766 HydrophobicContact CB-CB 4.19Å; V756-D766 HydrophobicContact CG2-CB 4.12Å; V756-D766 PolarHBondContact N-O 3.38Å; V756-D766 PolarHBondContact O-N 3.16Å; I764-D766 WeakPolarHBondContact CG2-O 3.49Å
767	T	95	Very high	91.4	Very high	50 Å²	50	59.6 Å²	59.6	31%	0.307	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132	178.5	48.8	0	0	0	0	111	G754 F755 I764	G754-T767 CarbonylContact O-C 3.15Å; G754-T767 VanDerWaalsContact O-CA 3.29Å; G754-T767 WeakPolarHBondContact O-CA 3.43Å; F755-T767 HydrophobicContact CD1-CG2 3.74Å; F755-T767 HydrophobicContact CE1-CG2 4.09Å; I764-T767 HydrophobicContact CG2-CG2 3.95Å
768	F	94.8	Very high	91.4	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.3	-175.2	62.1	-85.6	0	0	0	112.3	I494 F738 G754 V756 V789 V791 F802	I494-F768 HydrophobicContact CB-CB 3.99Å; I494-F768 HydrophobicContact CB-CD1 4.22Å; I494-F768 HydrophobicContact CB-CG 4.24Å; I494-F768 HydrophobicContact CG2-CB 3.77Å; I494-F768 HydrophobicContact CG2-CD1 3.96Å; I494-F768 HydrophobicContact CG2-CD2 4.17Å; I494-F768 HydrophobicContact CG2-CG 3.72Å; I494-F768 WeakPolarHBondContact O-CB 3.3Å; F738-F768 HydrophobicContact CD1-CE1 4.18Å; G754-F768 PolarHBondContact N-O 2.85Å; G754-F768 PolarHBondContact O-N 2.94Å; V756-F768 HydrophobicContact CG2-CD1 3.93Å; V756-F768 HydrophobicContact CG2-CE1 3.96Å; F768-V789 HydrophobicContact CE2-CG1 4.16Å; F768-V789 HydrophobicContact CZ-CG1 3.89Å; F768-V791 HydrophobicContact CE2-CG2 3.94Å; F768-F802 HydrophobicContact CB-CD1 4.39Å; F768-F802 HydrophobicContact CD2-CB 4.5Å; F768-F802 AromaticContact CD2-CD1 3.84Å; F768-F802 HydrophobicContact CD2-CD1 3.84Å; F768-F802 AromaticContact CD2-CD2 3.73Å; F768-F802 HydrophobicContact CD2-CD2 3.73Å; F768-F802 AromaticContact CD2-CE1 3.94Å; F768-F802 HydrophobicContact CD2-CE1 3.94Å; F768-F802 AromaticContact CD2-CE2 3.81Å; F768-F802 HydrophobicContact CD2-CE2 3.81Å; F768-F802 AromaticContact CD2-CG 3.76Å; F768-F802 HydrophobicContact CD2-CG 3.76Å; F768-F802 AromaticContact CD2-CZ 3.93Å; F768-F802 HydrophobicContact CD2-CZ 3.93Å; F768-F802 AromaticContact CE2-CD2 3.76Å; F768-F802 HydrophobicContact CE2-CD2 3.76Å; F768-F802 AromaticContact CE2-CE2 3.87Å; F768-F802 HydrophobicContact CE2-CE2 3.87Å; F768-F802 HydrophobicContact CE2-CG 4.21Å; F768-F802 HydrophobicContact CE2-CZ 4.4Å
769	S	93.4	Very high	91.5	Very high	60 Å²	60	57.2 Å²	57.2	42%	0.42	31%	0.306	S	S	.	.			trans	-153.8	159.2	174	57.4	0	0	0	0	109.4
770	P	91.4	Very high	91.6	Very high	10 Å²	10	57.8 Å²	57.8	7%	0.065	31%	0.309	C	S	.	.			trans	-68.7	145.4	178.7	-0.9	16.1	0	0	0	109.7	K773 F775 W800 F802	P770-K773 CarbonylContact C-O 3.21Å; P770-K773 VanDerWaalsContact CB-O 3.32Å; P770-K773 WeakPolarHBondContact CB-O 3.07Å; P770-F775 HydrophobicContact CG-CD1 3.81Å; P770-F775 HydrophobicContact CG-CE1 3.75Å; P770-F775 HydrophobicContact CG-CE2 4.49Å; P770-F775 HydrophobicContact CG-CG 4.21Å; P770-F775 HydrophobicContact CG-CZ 4.12Å; P770-W800 HydrophobicContact CB-CD2 4.17Å; P770-W800 HydrophobicContact CB-CE3 3.58Å; P770-W800 HydrophobicContact CB-CH2 4.29Å; P770-W800 HydrophobicContact CB-CZ3 3.65Å; P770-W800 HydrophobicContact CG-CD2 3.73Å; P770-W800 HydrophobicContact CG-CE3 3.68Å; P770-W800 HydrophobicContact CG-CG 4.29Å; P770-W800 HydrophobicContact CG-CH2 4.22Å; P770-W800 HydrophobicContact CG-CZ2 4.27Å; P770-W800 HydrophobicContact CG-CZ3 3.94Å; P770-F802 HydrophobicContact CG-CZ 4.16Å
771	V	86.4	Confident	92	Very high	117 Å²	117	54.1 Å²	54.1	71%	0.709	28%	0.284	S	S	*	.	S	Bend	trans	-96	-31.6	-173.9	-173.6	0	0	0	0	110.6	E496	E496-V771 HydrophobicContact CB-CG2 4.23Å; E496-V771 PolarHBondContact OE2-N 3.44Å
772	R	76.4	Confident	92.2	Very high	161 Å²	161	51.1 Å²	51.1	61%	0.608	27%	0.265	S	S	*	.	S	Bend	trans	-80.9	-19.1	178.1	-72.1	-175.8	179.7	159.5	7.2	114.5	E496 V498 D499	E496-R772 PolarHBondContact OE2-N 3.41Å; V498-R772 HydrophobicContact CG1-CG 3.77Å; V498-R772 PolarHBondContact O-NH1 3.12Å; V498-R772 PolarHBondContact O-NH2 2.82Å; D499-R772 IonicContact OD1-NH2 3.48Å; D499-R772 PolarHBondContact OD1-NH2 2.8Å; D499-R772 VanDerWaalsContact OD1-NH2 3.12Å
773	K	84	Confident	92.5	Very high	123 Å²	123	50.9 Å²	50.9	54%	0.535	26%	0.262	S	S	.	.	S	Bend	trans	-157.2	162.6	-173.7	-82.1	-175	169	-167	0	108.9	P770 W800	P770-K773 CarbonylContact C-O 3.21Å; P770-K773 VanDerWaalsContact CB-O 3.32Å; P770-K773 WeakPolarHBondContact CB-O 3.07Å; K773-W800 HydrophobicContact CB-CH2 3.54Å; K773-W800 HydrophobicContact CB-CZ3 4.02Å; K773-W800 HydrophobicContact CD-CH2 3.63Å; K773-W800 HydrophobicContact CD-CZ3 4.28Å; K773-W800 HydrophobicContact CG-CH2 4.23Å
774	T	87.3	Confident	92.5	Very high	108 Å²	108	45.4 Å²	45.4	66%	0.663	24%	0.238	S	C	*	.			trans	-82.5	158.9	165.2	54.6	0	0	0	0	110.8
775	F	92.6	Very high	92.4	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.026	26%	0.26	C	S	.	.			trans	-58.7	149.4	153.8	-66.1	-56.4	0	0	0	109.7	V752 P770 P778 V791 W800 F802	V752-F775 HydrophobicContact CB-CB 4.43Å; V752-F775 HydrophobicContact CG1-CB 3.76Å; V752-F775 HydrophobicContact CG1-CD2 4.05Å; V752-F775 HydrophobicContact CG1-CG 4.32Å; P770-F775 HydrophobicContact CG-CD1 3.81Å; P770-F775 HydrophobicContact CG-CE1 3.75Å; P770-F775 HydrophobicContact CG-CE2 4.49Å; P770-F775 HydrophobicContact CG-CG 4.21Å; P770-F775 HydrophobicContact CG-CZ 4.12Å; F775-P778 HydrophobicContact CB-CB 4.37Å; F775-P778 HydrophobicContact CB-CG 3.97Å; F775-P778 HydrophobicContact CD1-CB 3.97Å; F775-P778 HydrophobicContact CD1-CG 4.39Å; F775-P778 HydrophobicContact CD2-CG 4.28Å; F775-P778 HydrophobicContact CE1-CB 4.35Å; F775-P778 HydrophobicContact CG-CB 4.09Å; F775-P778 HydrophobicContact CG-CG 4Å; F775-V791 HydrophobicContact CD1-CG1 4.36Å; F775-V791 HydrophobicContact CE1-CB 4.04Å; F775-V791 HydrophobicContact CE1-CG1 3.68Å; F775-V791 HydrophobicContact CE1-CG2 4.41Å; F775-V791 HydrophobicContact CZ-CB 4.39Å; F775-V791 HydrophobicContact CZ-CG1 4.15Å; F775-V791 HydrophobicContact CZ-CG2 4.26Å; F775-W800 AromaticContact CD1-CD1 3.72Å; F775-W800 HydrophobicContact CD1-CG 4.33Å; F775-W800 AromaticContact CD1-NE1 3.53Å; F775-W800 HydrophobicContact CE1-CB 4.4Å; F775-W800 AromaticContact CE1-CD1 3.5Å; F775-W800 HydrophobicContact CE1-CD2 4.45Å; F775-W800 AromaticContact CE1-CG 3.88Å; F775-W800 HydrophobicContact CE1-CG 3.88Å; F775-W800 AromaticContact CE1-NE1 3.83Å; F775-F802 HydrophobicContact CE1-CE2 4.36Å; F775-F802 HydrophobicContact CE1-CZ 4.13Å; F775-F802 HydrophobicContact CZ-CE2 4.08Å; F775-F802 AromaticContact CZ-CZ 3.76Å; F775-F802 HydrophobicContact CZ-CZ 3.76Å
776	E	90.4	Very high	92.2	Very high	87 Å²	87	52.3 Å²	52.3	41%	0.407	27%	0.271	S	S	.	.	S	Bend	trans	-111.4	-45.4	174.4	-67	-179.1	-150.4	0	0	111	M743 D793 H795 A796	M743-E776 VanDerWaalsContact CG-O 3.28Å; M743-E776 WeakPolarHBondContact CG-O 3.49Å; E776-D793 PolarHBondContact N-OD2 3.06Å; E776-H795 HydrophobicContact CB-CB 3.6Å; E776-A796 HydrophobicContact CB-CB 4.12Å; E776-A796 HydrophobicContact CG-CB 4Å
777	M	91.9	Very high	92	Very high	48 Å²	48	54.2 Å²	54.2	24%	0.236	28%	0.279	C	S	.	.			trans	-156.6	87.1	165.2	-172.8	152.9	116	0	0	109.5	F727 H779 D793 V794 H795	F727-M777 HydrophobicContact CE1-CE 4.09Å; F727-M777 HydrophobicContact CE1-CG 4.26Å; F727-M777 HydrophobicContact CE1-SD 4.43Å; F727-M777 HydrophobicContact CZ-CE 4.24Å; F727-M777 HydrophobicContact CZ-CG 4.05Å; F727-M777 HydrophobicContact CZ-SD 4.06Å; M777-H779 PolarHBondContact O-N 2.83Å; M777-D793 PolarHBondContact N-OD1 2.81Å; M777-D793 PolarHBondContact N-OD2 2.87Å; M777-D793 VanDerWaalsContact N-OD2 3.16Å; M777-D793 WeakPolarHBondContact O-CA 3.5Å; M777-V794 HydrophobicContact CB-CG2 3.89Å; M777-V794 HydrophobicContact CE-CG2 3.51Å; M777-V794 HydrophobicContact CG-CG2 3.8Å; M777-V794 PolarHBondContact O-N 2.75Å; M777-V794 HydrophobicContact SD-CG2 4.31Å; M777-H795 HydrophobicContact CB-CB 3.92Å; M777-H795 VanDerWaalsContact CB-ND1 3.27Å; M777-H795 WeakPolarHBondContact CB-ND1 3.13Å; M777-H795 VanDerWaalsContact SD-CE1 3.5Å
778	P	95.8	Very high	92	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	116.2	179.9	31.3	-29.2	0	0	0	108.2	V740 N741 V752 F775 V791	V740-P778 HydrophobicContact CB-CB 4.21Å; V740-P778 HydrophobicContact CB-CG 4.36Å; V740-P778 HydrophobicContact CG1-CB 4.48Å; V740-P778 HydrophobicContact CG2-CB 4.38Å; N741-P778 WeakPolarHBondContact O-CG 3.21Å; V752-P778 HydrophobicContact CG1-CG 3.55Å; F775-P778 HydrophobicContact CB-CB 4.37Å; F775-P778 HydrophobicContact CB-CG 3.97Å; F775-P778 HydrophobicContact CD1-CB 3.97Å; F775-P778 HydrophobicContact CD1-CG 4.39Å; F775-P778 HydrophobicContact CD2-CG 4.28Å; F775-P778 HydrophobicContact CE1-CB 4.35Å; F775-P778 HydrophobicContact CG-CB 4.09Å; F775-P778 HydrophobicContact CG-CG 4Å; P778-V791 HydrophobicContact CB-CG1 3.58Å
779	H	96.4	Very high	92.1	Very high	3 Å²	3	52 Å²	52	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-31.2	-162.4	-170.9	-78.3	0	0	0	112.4	S511 R526 H578 H682 F727 M777 G792 V794	S511-H779 PolarHBondContact O-CE1 2.79Å; S511-H779 PolarHBondContact O-ND1 3.46Å; R526-H779 PolarHBondContact NH2-NE2 3.11Å; H578-H779 AromaticContact CD2-CE1 3.62Å; H578-H779 AromaticContact CD2-NE2 3.94Å; H578-H779 AromaticContact CE1-CE1 3.66Å; H578-H779 AromaticContact NE2-CE1 3.21Å; H578-H779 PolarHBondContact NE2-CE1 2.88Å; H578-H779 AromaticContact NE2-NE2 3.54Å; H682-H779 AromaticContact CE1-CE1 3.86Å; F727-H779 HydrophobicContact CD1-CB 4.5Å; M777-H779 PolarHBondContact O-N 2.83Å; H779-G792 PolarHBondContact N-O 3.05Å; H779-V794 HydrophobicContact CB-CB 4.44Å; H779-V794 HydrophobicContact CB-CG1 3.74Å; H779-V794 HydrophobicContact CB-CG2 4.06Å; H779-V794 VanDerWaalsContact CD2-CG1 3.5Å; H779-V794 WeakPolarHBondContact CD2-CG1 3.33Å
780	D	98.1	Very high	92.3	Very high	14 Å²	14	49.2 Å²	49.2	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.4	176.2	-161.8	15.6	0	0	0	112.5	G512 L513 A728 V791 G792	G512-D780 VanDerWaalsContact CA-OD2 3.24Å; G512-D780 WeakPolarHBondContact CA-OD2 3.41Å; L513-D780 PolarHBondContact N-OD2 3.4Å; A728-D780 HydrophobicContact CB-CB 4.46Å; A728-D780 WeakPolarHBondContact CB-OD1 3.22Å; D780-V791 CarbonylContact O-C 3.2Å; D780-V791 WeakPolarHBondContact O-CA 3.42Å; D780-G792 PolarHBondContact N-O 2.94Å; D780-G792 PolarHBondContact O-N 3.2Å
781	V	98.3	Very high	92.6	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.7	179.4	61.5	0	0	0	0	111	A728 S730 F738 V740 V789 F790 V791	A728-V781 HydrophobicContact CB-CG1 3.93Å; S730-V781 WeakPolarHBondContact CB-O 3.29Å; F738-V781 HydrophobicContact CB-CG2 4.32Å; V740-V781 HydrophobicContact CG1-CB 4.14Å; V740-V781 HydrophobicContact CG1-CG1 4.47Å; V740-V781 HydrophobicContact CG1-CG2 4.48Å; V740-V781 HydrophobicContact CG2-CB 4.26Å; V740-V781 HydrophobicContact CG2-CG1 4.17Å; V781-V789 HydrophobicContact CG2-CG1 3.66Å; V781-F790 WeakPolarHBondContact CA-O 3.48Å; V781-V791 HydrophobicContact CB-CG2 4.33Å; V781-V791 HydrophobicContact CG2-CG2 3.98Å
782	V	97.9	Very high	93	Very high	17 Å²	17	43.2 Å²	43.2	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141.8	170.7	68.7	0	0	0	0	110.5	L513 L515 L521 F790	L513-V782 HydrophobicContact CB-CB 4.28Å; L513-V782 HydrophobicContact CB-CG1 3.74Å; L513-V782 HydrophobicContact CD1-CG1 4.33Å; L515-V782 HydrophobicContact CD1-CG2 4.11Å; L515-V782 HydrophobicContact CG-CG1 4.37Å; L515-V782 HydrophobicContact CG-CG2 3.9Å; L521-V782 HydrophobicContact CD1-CG1 4.33Å; V782-F790 HydrophobicContact CG1-CB 4.04Å; V782-F790 HydrophobicContact CG1-CD2 4.42Å; V782-F790 PolarHBondContact N-O 2.79Å; V782-F790 PolarHBondContact O-N 2.99Å
783	A	96.4	Very high	93.9	Very high	10 Å²	10	35.5 Å²	35.5	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.4	178.1	0	0	0	0	0	111.7	S730 V732 F738 T788 V789	S730-A783 PolarHBondContact OG-N 2.99Å; V732-A783 HydrophobicContact CG2-CB 3.63Å; F738-A783 HydrophobicContact CD1-CB 4.4Å; F738-A783 HydrophobicContact CD2-CB 3.47Å; F738-A783 VanDerWaalsContact CD2-CB 3.47Å; F738-A783 HydrophobicContact CE2-CB 3.65Å; F738-A783 HydrophobicContact CG-CB 3.89Å; F738-A783 HydrophobicContact CZ-CB 4.19Å; A783-T788 WeakPolarHBondContact CA-O 3.48Å; A783-V789 HydrophobicContact CB-CG1 4.38Å; A783-V789 HydrophobicContact CB-CG2 4.08Å
784	S	94.5	Very high	94.4	Very high	12 Å²	12	29.7 Å²	29.7	8%	0.084	16%	0.155	C	C	.	.			trans	-96.4	166.3	176.1	35.3	0	0	0	0	112.5	D786 K787 T788	S784-D786 VanDerWaalsContact CB-OD1 3.31Å; S784-D786 WeakPolarHBondContact CB-OD1 3.5Å; S784-D786 PolarHBondContact O-N 2.97Å; S784-D786 PolarHBondContact OG-OD1 3.49Å; S784-K787 WeakPolarHBondContact O-CA 3.41Å; S784-K787 PolarHBondContact O-N 2.75Å; S784-T788 PolarHBondContact N-O 2.72Å; S784-T788 WeakPolarHBondContact OG-CB 3.17Å; S784-T788 PolarHBondContact OG-O 3.42Å
785	E	90.7	Very high	94.5	Very high	149 Å²	149	29.4 Å²	29.4	70%	0.696	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.6	176.7	-62.3	-171.9	161.2	0	0	113.5	V732 K787	V732-E785 HydrophobicContact CG1-CG 4.46Å; E785-K787 PolarHBondContact O-N 3.26Å
786	D	90.1	Very high	94.4	Very high	105 Å²	105	30 Å²	30	56%	0.561	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	1.9	172.9	80	-22.4	0	0	0	113.8	S784 T788	S784-D786 VanDerWaalsContact CB-OD1 3.31Å; S784-D786 WeakPolarHBondContact CB-OD1 3.5Å; S784-D786 PolarHBondContact O-N 2.97Å; S784-D786 PolarHBondContact OG-OD1 3.49Å; D786-T788 PolarHBondContact O-N 3.48Å; D786-T788 VanDerWaalsContact OD1-CB 3.22Å; D786-T788 WeakPolarHBondContact OD1-CB 3.41Å; D786-T788 PolarHBondContact OD1-N 3.21Å; D786-T788 PolarHBondContact OD1-OG1 3.37Å; D786-T788 PolarHBondContact OD2-OG1 3.36Å
787	K	90.3	Very high	94.5	Very high	52 Å²	52	31.5 Å²	31.5	23%	0.226	15%	0.154	C	C	.	.			trans	64.9	19.4	-177.2	-38.2	173.5	-154.7	166.4	0	114.1	F492 L736 S784 E785 E806	F492-K787 HydrophobicContact CD2-CD 4.38Å; F492-K787 HydrophobicContact CE2-CD 3.58Å; F492-K787 HydrophobicContact CZ-CD 4.36Å; L736-K787 HydrophobicContact CD1-CD 4.41Å; S784-K787 WeakPolarHBondContact O-CA 3.41Å; S784-K787 PolarHBondContact O-N 2.75Å; E785-K787 PolarHBondContact O-N 3.26Å; K787-E806 IonicContact NZ-OE1 2.73Å; K787-E806 PolarHBondContact NZ-OE1 2.92Å
788	T	94.3	Very high	94.5	Very high	8 Å²	8	30.9 Å²	30.9	5%	0.049	15%	0.152	C	C	.	.			trans	-68.2	136	159.5	-62.3	0	0	0	0	108.8	A783 S784 D786 F790 K801 F802	A783-T788 WeakPolarHBondContact CA-O 3.48Å; S784-T788 PolarHBondContact N-O 2.72Å; S784-T788 WeakPolarHBondContact OG-CB 3.17Å; S784-T788 PolarHBondContact OG-O 3.42Å; D786-T788 PolarHBondContact O-N 3.48Å; D786-T788 VanDerWaalsContact OD1-CB 3.22Å; D786-T788 WeakPolarHBondContact OD1-CB 3.41Å; D786-T788 PolarHBondContact OD1-N 3.21Å; D786-T788 PolarHBondContact OD1-OG1 3.37Å; D786-T788 PolarHBondContact OD2-OG1 3.36Å; T788-F790 HydrophobicContact CG2-CD2 4.34Å; T788-F790 HydrophobicContact CG2-CE2 3.62Å; T788-F790 HydrophobicContact CG2-CZ 3.75Å; T788-K801 HydrophobicContact CG2-CD 4.45Å; T788-K801 HydrophobicContact CG2-CG 4.27Å; T788-F802 WeakPolarHBondContact CA-O 3.23Å
789	V	96.8	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.5	-177.4	-170	0	0	0	0	109.6	I494 F738 F768 V781 A783 F802	I494-V789 HydrophobicContact CG2-CG2 4.45Å; F738-V789 HydrophobicContact CD1-CG1 4.28Å; F738-V789 HydrophobicContact CD1-CG2 3.66Å; F738-V789 HydrophobicContact CE1-CG2 3.43Å; F738-V789 VanDerWaalsContact CE1-CG2 3.43Å; F738-V789 HydrophobicContact CG-CG2 4.49Å; F738-V789 HydrophobicContact CZ-CG2 4.12Å; F768-V789 HydrophobicContact CE2-CG1 4.16Å; F768-V789 HydrophobicContact CZ-CG1 3.89Å; V781-V789 HydrophobicContact CG2-CG1 3.66Å; A783-V789 HydrophobicContact CB-CG1 4.38Å; A783-V789 HydrophobicContact CB-CG2 4.08Å; V789-F802 HydrophobicContact CB-CB 4.3Å; V789-F802 PolarHBondContact N-O 3.3Å; V789-F802 PolarHBondContact O-N 2.02Å
790	F	97.6	Very high	94.4	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.5	173.3	-60.7	-84.7	0	0	0	110.2	W500 L513 L515 L521 P560 V781 V782 T788 V799 W800 K801	W500-F790 HydrophobicContact CH2-CD1 4.42Å; W500-F790 HydrophobicContact CH2-CE1 4.24Å; W500-F790 AromaticContact CZ2-CE1 3.92Å; W500-F790 HydrophobicContact CZ2-CE1 3.92Å; L513-F790 HydrophobicContact CD1-CB 3.91Å; L515-F790 HydrophobicContact CD2-CD2 4.45Å; L515-F790 HydrophobicContact CD2-CE2 4.31Å; L521-F790 HydrophobicContact CB-CZ 4.5Å; L521-F790 HydrophobicContact CD1-CB 3.93Å; L521-F790 HydrophobicContact CD1-CD1 4.18Å; L521-F790 HydrophobicContact CD1-CD2 3.93Å; L521-F790 HydrophobicContact CD1-CE2 4.47Å; L521-F790 HydrophobicContact CD1-CG 3.76Å; L521-F790 HydrophobicContact CD2-CD1 3.71Å; L521-F790 HydrophobicContact CD2-CE1 3.85Å; L521-F790 HydrophobicContact CD2-CG 4.17Å; L521-F790 HydrophobicContact CD2-CZ 4.45Å; L521-F790 HydrophobicContact CG-CD1 4.48Å; P560-F790 HydrophobicContact CB-CE2 4.35Å; P560-F790 HydrophobicContact CB-CZ 3.77Å; V781-F790 WeakPolarHBondContact CA-O 3.48Å; V782-F790 HydrophobicContact CG1-CB 4.04Å; V782-F790 HydrophobicContact CG1-CD2 4.42Å; V782-F790 PolarHBondContact N-O 2.79Å; V782-F790 PolarHBondContact O-N 2.99Å; T788-F790 HydrophobicContact CG2-CD2 4.34Å; T788-F790 HydrophobicContact CG2-CE2 3.62Å; T788-F790 HydrophobicContact CG2-CZ 3.75Å; F790-V799 HydrophobicContact CB-CG1 4.07Å; F790-V799 HydrophobicContact CD1-CG1 4.1Å; F790-W800 VanDerWaalsContact CA-O 3.28Å; F790-W800 WeakPolarHBondContact CA-O 2.93Å; F790-K801 HydrophobicContact CD1-CB 3.99Å; F790-K801 HydrophobicContact CD1-CG 3.97Å; F790-K801 HydrophobicContact CE1-CB 3.89Å; F790-K801 HydrophobicContact CE1-CD 3.67Å; F790-K801 HydrophobicContact CE1-CG 3.53Å; F790-K801 HydrophobicContact CZ-CD 4.07Å; F790-K801 HydrophobicContact CZ-CG 4.14Å
791	V	97.6	Very high	94.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	176.8	177.8	0	0	0	0	109.4	V740 F768 F775 P778 D780 V781 V799 W800 F802	V740-V791 HydrophobicContact CG1-CG1 4.12Å; V740-V791 HydrophobicContact CG1-CG2 4Å; F768-V791 HydrophobicContact CE2-CG2 3.94Å; F775-V791 HydrophobicContact CD1-CG1 4.36Å; F775-V791 HydrophobicContact CE1-CB 4.04Å; F775-V791 HydrophobicContact CE1-CG1 3.68Å; F775-V791 HydrophobicContact CE1-CG2 4.41Å; F775-V791 HydrophobicContact CZ-CB 4.39Å; F775-V791 HydrophobicContact CZ-CG1 4.15Å; F775-V791 HydrophobicContact CZ-CG2 4.26Å; P778-V791 HydrophobicContact CB-CG1 3.58Å; D780-V791 CarbonylContact O-C 3.2Å; D780-V791 WeakPolarHBondContact O-CA 3.42Å; V781-V791 HydrophobicContact CB-CG2 4.33Å; V781-V791 HydrophobicContact CG2-CG2 3.98Å; V791-V799 CarbonylContact O-C 3.59Å; V791-V799 WeakPolarHBondContact O-CA 3.45Å; V791-W800 HydrophobicContact CB-CB 4.35Å; V791-W800 PolarHBondContact N-O 3.24Å; V791-W800 PolarHBondContact O-N 3.04Å; V791-F802 HydrophobicContact CB-CE2 4.34Å; V791-F802 HydrophobicContact CG2-CD2 4.4Å; V791-F802 HydrophobicContact CG2-CE2 3.92Å
792	G	96.1	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.8	175.5	0	0	0	0	0	110.4	L513 H779 D780	L513-G792 VanDerWaalsContact CD1-N 3.3Å; H779-G792 PolarHBondContact N-O 3.05Å; D780-G792 PolarHBondContact N-O 2.94Å; D780-G792 PolarHBondContact O-N 3.2Å
793	D	94.7	Very high	93.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.4	179	-167.3	-46.6	0	0	0	110.6	E776 M777 H795 A796 R797 T798	E776-D793 PolarHBondContact N-OD2 3.06Å; M777-D793 PolarHBondContact N-OD1 2.81Å; M777-D793 PolarHBondContact N-OD2 2.87Å; M777-D793 VanDerWaalsContact N-OD2 3.16Å; M777-D793 WeakPolarHBondContact O-CA 3.5Å; D793-H795 PolarHBondContact OD1-N 3.34Å; D793-A796 HydrophobicContact CB-CB 4.06Å; D793-A796 PolarHBondContact OD1-N 2.7Å; D793-R797 WeakPolarHBondContact O-CA 3.47Å; D793-R797 PolarHBondContact O-N 2.97Å; D793-T798 HydrophobicContact CB-CG2 4.37Å; D793-T798 PolarHBondContact N-O 2.85Å; D793-T798 PolarHBondContact O-N 3.46Å
794	V	93.8	Very high	93.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-27.2	-177.5	-71.6	0	0	0	0	113.1	Q509 V510 M777 H779	Q509-V794 HydrophobicContact CB-CB 3.93Å; Q509-V794 HydrophobicContact CB-CG1 4.01Å; Q509-V794 HydrophobicContact CG-CB 4.36Å; Q509-V794 WeakPolarHBondContact CG-O 3.35Å; V510-V794 WeakPolarHBondContact O-CG1 3.26Å; M777-V794 HydrophobicContact CB-CG2 3.89Å; M777-V794 HydrophobicContact CE-CG2 3.51Å; M777-V794 HydrophobicContact CG-CG2 3.8Å; M777-V794 PolarHBondContact O-N 2.75Å; M777-V794 HydrophobicContact SD-CG2 4.31Å; H779-V794 HydrophobicContact CB-CB 4.44Å; H779-V794 HydrophobicContact CB-CG1 3.74Å; H779-V794 HydrophobicContact CB-CG2 4.06Å; H779-V794 VanDerWaalsContact CD2-CG1 3.5Å; H779-V794 WeakPolarHBondContact CD2-CG1 3.33Å
795	H	89.9	Confident	92.7	Very high	102 Å²	102	35.8 Å²	35.8	47%	0.472	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-48.3	-179.6	-86.3	69.6	0	0	0	110.9	E776 M777 D793 R797	E776-H795 HydrophobicContact CB-CB 3.6Å; M777-H795 HydrophobicContact CB-CB 3.92Å; M777-H795 VanDerWaalsContact CB-ND1 3.27Å; M777-H795 WeakPolarHBondContact CB-ND1 3.13Å; M777-H795 VanDerWaalsContact SD-CE1 3.5Å; D793-H795 PolarHBondContact OD1-N 3.34Å; H795-R797 PolarHBondContact O-N 3.37Å
796	A	90.5	Very high	91.2	Very high	18 Å²	18	34.7 Å²	34.7	15%	0.149	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.1	175.2	0	0	0	0	0	113.5	E776 D793 T798 W800	E776-A796 HydrophobicContact CB-CB 4.12Å; E776-A796 HydrophobicContact CG-CB 4Å; D793-A796 HydrophobicContact CB-CB 4.06Å; D793-A796 PolarHBondContact OD1-N 2.7Å; A796-T798 VanDerWaalsContact C-N 3.31Å; A796-T798 HydrophobicContact CB-CG2 3.89Å; A796-T798 PolarHBondContact O-N 2.77Å; A796-W800 HydrophobicContact CB-CZ2 4.21Å
797	R	93	Very high	89.1	Confident	119 Å²	119	37.5 Å²	37.5	45%	0.449	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	45.6	178.5	-57.7	-173.7	-171.1	-155.8	0.5	113	G508 D793 H795	G508-R797 WeakPolarHBondContact O-CB 3.4Å; G508-R797 WeakPolarHBondContact O-CG 3.2Å; D793-R797 WeakPolarHBondContact O-CA 3.47Å; D793-R797 PolarHBondContact O-N 2.97Å; H795-R797 PolarHBondContact O-N 3.37Å
798	T	92.1	Very high	86.2	Confident	34 Å²	34	42.3 Å²	42.3	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	163.2	-173.1	-166.3	0	0	0	0	111.4	D793 A796 W800	D793-T798 HydrophobicContact CB-CG2 4.37Å; D793-T798 PolarHBondContact N-O 2.85Å; D793-T798 PolarHBondContact O-N 3.46Å; A796-T798 VanDerWaalsContact C-N 3.31Å; A796-T798 HydrophobicContact CB-CG2 3.89Å; A796-T798 PolarHBondContact O-N 2.77Å; T798-W800 HydrophobicContact CG2-CD2 4.05Å; T798-W800 VanDerWaalsContact CG2-CE2 3.47Å; T798-W800 HydrophobicContact CG2-CH2 4.25Å; T798-W800 HydrophobicContact CG2-CZ2 3.6Å
799	V	94.7	Very high	83	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.024	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138	160.7	-176.5	0	0	0	0	108.3	W500 L503 V510 L513 L521 V523 F790 V791	W500-V799 HydrophobicContact CH2-CB 4.36Å; W500-V799 HydrophobicContact CH2-CG1 4.29Å; W500-V799 HydrophobicContact CZ3-CB 4.39Å; W500-V799 HydrophobicContact CZ3-CG1 4.46Å; L503-V799 HydrophobicContact CD1-CB 4.28Å; L503-V799 HydrophobicContact CD1-CG2 4.12Å; V510-V799 HydrophobicContact CG1-CG2 4.11Å; L513-V799 HydrophobicContact CD1-CG1 4.22Å; L513-V799 HydrophobicContact CD2-CG2 3.99Å; L521-V799 HydrophobicContact CD2-CG1 4.1Å; V523-V799 HydrophobicContact CG1-CG2 4.17Å; V523-V799 HydrophobicContact CG2-CG2 4Å; F790-V799 HydrophobicContact CB-CG1 4.07Å; F790-V799 HydrophobicContact CD1-CG1 4.1Å; V791-V799 CarbonylContact O-C 3.59Å; V791-V799 WeakPolarHBondContact O-CA 3.45Å
800	W	94.3	Very high	79.8	Confident	18 Å²	18	56 Å²	56	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.1	170.6	-50.7	95.1	0	0	0	109.1	P770 K773 F775 F790 V791 A796 T798 F802	P770-W800 HydrophobicContact CB-CD2 4.17Å; P770-W800 HydrophobicContact CB-CE3 3.58Å; P770-W800 HydrophobicContact CB-CH2 4.29Å; P770-W800 HydrophobicContact CB-CZ3 3.65Å; P770-W800 HydrophobicContact CG-CD2 3.73Å; P770-W800 HydrophobicContact CG-CE3 3.68Å; P770-W800 HydrophobicContact CG-CG 4.29Å; P770-W800 HydrophobicContact CG-CH2 4.22Å; P770-W800 HydrophobicContact CG-CZ2 4.27Å; P770-W800 HydrophobicContact CG-CZ3 3.94Å; K773-W800 HydrophobicContact CB-CH2 3.54Å; K773-W800 HydrophobicContact CB-CZ3 4.02Å; K773-W800 HydrophobicContact CD-CH2 3.63Å; K773-W800 HydrophobicContact CD-CZ3 4.28Å; K773-W800 HydrophobicContact CG-CH2 4.23Å; F775-W800 AromaticContact CD1-CD1 3.72Å; F775-W800 HydrophobicContact CD1-CG 4.33Å; F775-W800 AromaticContact CD1-NE1 3.53Å; F775-W800 HydrophobicContact CE1-CB 4.4Å; F775-W800 AromaticContact CE1-CD1 3.5Å; F775-W800 HydrophobicContact CE1-CD2 4.45Å; F775-W800 AromaticContact CE1-CG 3.88Å; F775-W800 HydrophobicContact CE1-CG 3.88Å; F775-W800 AromaticContact CE1-NE1 3.83Å; F790-W800 VanDerWaalsContact CA-O 3.28Å; F790-W800 WeakPolarHBondContact CA-O 2.93Å; V791-W800 HydrophobicContact CB-CB 4.35Å; V791-W800 PolarHBondContact N-O 3.24Å; V791-W800 PolarHBondContact O-N 3.04Å; A796-W800 HydrophobicContact CB-CZ2 4.21Å; T798-W800 HydrophobicContact CG2-CD2 4.05Å; T798-W800 VanDerWaalsContact CG2-CE2 3.47Å; T798-W800 HydrophobicContact CG2-CH2 4.25Å; T798-W800 HydrophobicContact CG2-CZ2 3.6Å; W800-F802 HydrophobicContact CB-CE2 3.59Å; W800-F802 HydrophobicContact CB-CZ 3.92Å
801	K	95.1	Very high	76.6	Confident	23 Å²	23	64.6 Å²	64.6	10%	0.1	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.8	174.9	-175.8	-178.4	-175.7	179.9	0	110.5	V497 W500 P560 T788 F790	V497-K801 HydrophobicContact CB-CB 4.32Å; V497-K801 HydrophobicContact CB-CD 4.06Å; V497-K801 HydrophobicContact CB-CG 4.04Å; V497-K801 HydrophobicContact CG1-CD 4.31Å; V497-K801 HydrophobicContact CG2-CD 4.08Å; V497-K801 HydrophobicContact CG2-CG 3.88Å; V497-K801 PolarHBondContact N-O 3.34Å; W500-K801 HydrophobicContact CB-CD 4.32Å; W500-K801 HydrophobicContact CD2-CB 3.81Å; W500-K801 HydrophobicContact CD2-CD 3.93Å; W500-K801 HydrophobicContact CD2-CG 4.48Å; W500-K801 HydrophobicContact CE3-CB 3.71Å; W500-K801 HydrophobicContact CG-CB 4.2Å; W500-K801 HydrophobicContact CG-CD 3.75Å; W500-K801 HydrophobicContact CZ3-CB 4.15Å; P560-K801 PolarHBondContact O-NZ 3.03Å; T788-K801 HydrophobicContact CG2-CD 4.45Å; T788-K801 HydrophobicContact CG2-CG 4.27Å; F790-K801 HydrophobicContact CD1-CB 3.99Å; F790-K801 HydrophobicContact CD1-CG 3.97Å; F790-K801 HydrophobicContact CE1-CB 3.89Å; F790-K801 HydrophobicContact CE1-CD 3.67Å; F790-K801 HydrophobicContact CE1-CG 3.53Å; F790-K801 HydrophobicContact CZ-CD 4.07Å; F790-K801 HydrophobicContact CZ-CG 4.14Å
802	F	95	Very high	73.3	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	160.8	173.2	-49	-94.7	0	0	0	110.8	I494 D495 E496 F768 P770 F775 T788 V789 V791 W800	I494-F802 HydrophobicContact CG2-CB 3.4Å; I494-F802 VanDerWaalsContact CG2-CB 3.4Å; I494-F802 HydrophobicContact CG2-CG 4.17Å; D495-F802 CarbonylContact O-C 3.53Å; D495-F802 WeakPolarHBondContact O-CA 3.28Å; D495-F802 WeakPolarHBondContact O-CB 3.4Å; E496-F802 HydrophobicContact CB-CD1 4.06Å; E496-F802 HydrophobicContact CB-CE1 4.04Å; E496-F802 HydrophobicContact CG-CE1 4.39Å; F768-F802 HydrophobicContact CB-CD1 4.39Å; F768-F802 HydrophobicContact CD2-CB 4.5Å; F768-F802 AromaticContact CD2-CD1 3.84Å; F768-F802 HydrophobicContact CD2-CD1 3.84Å; F768-F802 AromaticContact CD2-CD2 3.73Å; F768-F802 HydrophobicContact CD2-CD2 3.73Å; F768-F802 AromaticContact CD2-CE1 3.94Å; F768-F802 HydrophobicContact CD2-CE1 3.94Å; F768-F802 AromaticContact CD2-CE2 3.81Å; F768-F802 HydrophobicContact CD2-CE2 3.81Å; F768-F802 AromaticContact CD2-CG 3.76Å; F768-F802 HydrophobicContact CD2-CG 3.76Å; F768-F802 AromaticContact CD2-CZ 3.93Å; F768-F802 HydrophobicContact CD2-CZ 3.93Å; F768-F802 AromaticContact CE2-CD2 3.76Å; F768-F802 HydrophobicContact CE2-CD2 3.76Å; F768-F802 AromaticContact CE2-CE2 3.87Å; F768-F802 HydrophobicContact CE2-CE2 3.87Å; F768-F802 HydrophobicContact CE2-CG 4.21Å; F768-F802 HydrophobicContact CE2-CZ 4.4Å; P770-F802 HydrophobicContact CG-CZ 4.16Å; F775-F802 HydrophobicContact CE1-CE2 4.36Å; F775-F802 HydrophobicContact CE1-CZ 4.13Å; F775-F802 HydrophobicContact CZ-CE2 4.08Å; F775-F802 AromaticContact CZ-CZ 3.76Å; F775-F802 HydrophobicContact CZ-CZ 3.76Å; T788-F802 WeakPolarHBondContact CA-O 3.23Å; V789-F802 HydrophobicContact CB-CB 4.3Å; V789-F802 PolarHBondContact N-O 3.3Å; V789-F802 PolarHBondContact O-N 2.02Å; V791-F802 HydrophobicContact CB-CE2 4.34Å; V791-F802 HydrophobicContact CG2-CD2 4.4Å; V791-F802 HydrophobicContact CG2-CE2 3.92Å; W800-F802 HydrophobicContact CB-CE2 3.59Å; W800-F802 HydrophobicContact CB-CZ 3.92Å
803	T	93.5	Very high	70.2	Confident	46 Å²	46	75.1 Å²	75.1	28%	0.282	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.6	176.2	-160.8	0	0	0	0	111.1	I494 D495 V497	I494-T803 WeakPolarHBondContact CA-O 3.39Å; D495-T803 PolarHBondContact N-O 2.71Å; D495-T803 PolarHBondContact O-N 3.34Å; V497-T803 HydrophobicContact CG2-CG2 3.63Å
804	S	89.2	Confident	67.2	Low	25 Å²	25	85.3 Å²	85.3	18%	0.175	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.4	-177.5	-167.3	0	0	0	0	113.5	F492 H493	F492-S804 WeakPolarHBondContact CD2-OG 3.36Å; F492-S804 WeakPolarHBondContact CE2-OG 3.48Å; H493-S804 VanDerWaalsContact O-CA 3.27Å; H493-S804 WeakPolarHBondContact O-CA 3.47Å; H493-S804 PolarHBondContact O-OG 2.58Å
805	T	76.9	Confident	64.3	Low	46 Å²	46	93.9 Å²	93.9	28%	0.282	45%	0.452	S	S	.	.			trans	-105.9	75.4	178	52.4	0	0	0	0	112.1	H493 D495 K807	H493-T805 PolarHBondContact O-N 2.82Å; D495-T805 HydrophobicContact CB-CG2 3.97Å; D495-T805 WeakPolarHBondContact OD2-CB 3.3Å; D495-T805 WeakPolarHBondContact OD2-CG2 3.16Å; D495-T805 PolarHBondContact OD2-OG1 3.45Å; T805-K807 PolarHBondContact O-N 2.95Å
806	E	60.7	Low	61.5	Low	126 Å²	126	93.7 Å²	93.7	59%	0.589	47%	0.467	S	S	*	.			trans	-63.9	104.2	171.1	-67.1	-174.4	-172.3	0	0	110.5	K787 M808	K787-E806 IonicContact NZ-OE1 2.73Å; K787-E806 PolarHBondContact NZ-OE1 2.92Å; E806-M808 PolarHBondContact O-N 3Å
807	K	44.3	Very low	59	Low	164 Å²	164	96.8 Å²	96.8	71%	0.713	50%	0.501	S	S	*	.			trans	-72.8	89.4	-177.6	-79.8	175.3	-179	156.8	0	111.5	T805 E809	T805-K807 PolarHBondContact O-N 2.95Å; K807-E809 PolarHBondContact O-N 3.07Å
808	M	29.9	Very low	56	Low	154 Å²	154	98.2 Å²	98.2	76%	0.759	52%	0.516	S	S	*	.			trans	-56.8	106.1	167.9	-70.9	-175.6	66.8	0	0	111.4	E806 H810	E806-M808 PolarHBondContact O-N 3Å; M808-H810 VanDerWaalsContact C-N 3.25Å; M808-H810 PolarHBondContact O-N 2.98Å
809	E	28	Very low	52.9	Low	136 Å²	136	106.2 Å²	106.2	64%	0.636	55%	0.551	S	S	*	*			trans	-66	76.5	172.1	-96.8	-139.6	144.2	0	0	111.7	K807 R811	K807-E809 PolarHBondContact O-N 3.07Å; E809-R811 PolarHBondContact O-N 3.45Å; E809-R811 IonicContact OE1-CZ 3.94Å; E809-R811 IonicContact OE1-NE 3.48Å; E809-R811 IonicContact OE1-NH1 3.67Å; E809-R811 PolarHBondContact OE1-NH1 2.87Å; E809-R811 WeakPolarHBondContact OE2-CD 3.35Å; E809-R811 IonicContact OE2-CZ 3.9Å; E809-R811 IonicContact OE2-NE 2.67Å; E809-R811 IonicContact OE2-NH1 3.65Å; E809-R811 PolarHBondContact OE2-NH1 2.94Å
810	H	28.9	Very low	49.5	Very low	158 Å²	158	111.3 Å²	111.3	73%	0.731	58%	0.582	S	S	*	*			trans	-75.2	70.4	155.2	-86.3	-55.1	0	0	0	109.7	M808 S812	M808-H810 VanDerWaalsContact C-N 3.25Å; M808-H810 PolarHBondContact O-N 2.98Å; H810-S812 PolarHBondContact O-N 2.61Å; H810-S812 PolarHBondContact O-OG 2.97Å
811	R	31.1	Very low	46.6	Very low	182 Å²	182	120 Å²	120	69%	0.687	62%	0.623	S	S	*	*			trans	-66.6	65.1	-175.4	-161	-176.7	-167.2	132	-2.9	112.6	E809 V813	E809-R811 PolarHBondContact O-N 3.45Å; E809-R811 IonicContact OE1-CZ 3.94Å; E809-R811 IonicContact OE1-NE 3.48Å; E809-R811 IonicContact OE1-NH1 3.67Å; E809-R811 PolarHBondContact OE1-NH1 2.87Å; E809-R811 WeakPolarHBondContact OE2-CD 3.35Å; E809-R811 IonicContact OE2-CZ 3.9Å; E809-R811 IonicContact OE2-NE 2.67Å; E809-R811 IonicContact OE2-NH1 3.65Å; E809-R811 PolarHBondContact OE2-NH1 2.94Å; R811-V813 PolarHBondContact O-N 2.85Å
812	S	27.9	Very low	43.4	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	66%	0.66	S	S	*	*			trans	-74.8	83.5	-179.3	42.7	0	0	0	0	110.8	H810 K814	H810-S812 PolarHBondContact O-N 2.61Å; H810-S812 PolarHBondContact O-OG 2.97Å; S812-K814 PolarHBondContact O-N 2.89Å
813	V	30.4	Very low	40.1	Very low	114 Å²	114	131.9 Å²	131.9	69%	0.691	69%	0.694	S	S	*	*			trans	-60.6	102.5	179	-180	0	0	0	0	110.5	R811 K815	R811-V813 PolarHBondContact O-N 2.85Å; V813-K815 HydrophobicContact CG1-CB 4.3Å; V813-K815 PolarHBondContact O-N 3.5Å
814	K	32.6	Very low	36.9	Very low	214 Å²	214	139.6 Å²	139.6	93%	0.93	72%	0.724	S	S	*	*			trans	-64.4	100.4	168.4	-81.7	-172.8	174.9	178.6	0	110.1	S812	S812-K814 PolarHBondContact O-N 2.89Å
815	K	31.5	Very low	33.9	Very low	182 Å²	182	147 Å²	147	79%	0.791	76%	0.756	S	S	*	*			trans	-136.8	124	171.7	-167.9	174.8	-174.4	178.4	0	110.5	V813	V813-K815 HydrophobicContact CG1-CB 4.3Å; V813-K815 PolarHBondContact O-N 3.5Å
816	A	32.1	Very low	31.4	Very low	97 Å²	97	150.5 Å²	150.5	80%	0.802	78%	0.777	S	S	*	*	S	Bend	trans	62.3	123.6	-170	0	0	0	0	0	113.9
817	G	37.4	Very low	29.8	Very low	83 Å²	83	152.2 Å²	152.2	86%	0.856	79%	0.789	S	S	*	*			trans	-85.5	120.5	177.3	0	0	0	0	0	111.5
818	I	29.6	Very low	28.9	Very low	150 Å²	150	150.8 Å²	150.8	77%	0.769	79%	0.787	S	S	*	*			trans	-145.1	131	162	-90.5	158	0	0	0	104.8	V820	I818-V820 HydrophobicContact CG2-CG2 3.83Å
819	E	27.2	Very low	29	Very low	202 Å²	202	151.5 Å²	151.5	94%	0.944	79%	0.789	S	S	*	*			trans	-86.9	126.2	168.6	-70.7	-173.8	136.4	0	0	109.3
820	V	25.1	Very low	29	Very low	110 Å²	110	151.3 Å²	151.3	67%	0.667	80%	0.797	S	S	*	*			trans	-127.7	122.5	165.1	171.7	0	0	0	0	107.1	I818	I818-V820 HydrophobicContact CG2-CG2 3.83Å
821	Q	32.9	Very low	28.9	Very low	200 Å²	200	154.1 Å²	154.1	94%	0.935	80%	0.801	S	S	*	*			trans	-79.6	127.8	162.5	-68.6	179.2	-19.7	0	0	107.7
822	E	27.2	Very low	28.6	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	81%	0.805	S	S	*	*			trans	-124.3	143.1	172.2	-154.9	158.4	-126.9	0	0	109.6
823	A	26.8	Very low	28.3	Very low	87 Å²	87	156.1 Å²	156.1	72%	0.719	81%	0.808	S	S	*	*			trans	-88.6	151.3	-159.9	0	0	0	0	0	113.2	E825	A823-E825 PolarHBondContact O-N 2.65Å
824	K	24.9	Very low	28.1	Very low	209 Å²	209	158 Å²	158	91%	0.909	81%	0.814	S	S	*	*			trans	-76.1	97.3	159.9	-77	-169.9	173.7	-174	0	109.2
825	E	27.4	Very low	27.6	Very low	180 Å²	180	153.2 Å²	153.2	84%	0.841	81%	0.807	S	S	*	*			trans	-75.4	149.6	157.5	-70.8	-160.4	136.5	0	0	110.6	A823	A823-E825 PolarHBondContact O-N 2.65Å
826	T	24.4	Very low	28.2	Very low	119 Å²	119	149.9 Å²	149.9	73%	0.73	80%	0.804	S	S	*	*			trans	-117.5	128.7	-179.7	-51.3	0	0	0	0	108.6
827	I	25.9	Very low	27.8	Very low	163 Å²	163	153.3 Å²	153.3	84%	0.836	80%	0.804	S	S	*	*			trans	-114.7	140	171	-63.9	-176.8	0	0	0	109.1
828	I	25.8	Very low	27.3	Very low	133 Å²	133	153.9 Å²	153.9	68%	0.682	79%	0.794	S	S	*	*			trans	-110.1	157.7	-161.8	-71.8	172.8	0	0	0	111.7
829	E	31.1	Very low	27	Very low	170 Å²	170	152.7 Å²	152.7	79%	0.794	79%	0.794	S	S	*	*			trans	-32	164.7	170.6	-44.4	168.4	102.9	0	0	118.1
830	T	28	Very low	26.9	Very low	131 Å²	131	151.7 Å²	151.7	80%	0.804	79%	0.79	S	S	*	*				-170.2	146	129	17.6	0	0	0	0	110.4
831	R	27.7	Very low	27.7	Very low	217 Å²	217	150.5 Å²	150.5	82%	0.819	78%	0.784	S	S	*	*			cis	-168.3	175.8	-9.8	-146.3	177.2	-168.1	178.8	3.9	111.7
832	L	24.1	Very low	27.4	Very low	146 Å²	146	147.6 Å²	147.6	76%	0.764	77%	0.774	S	S	*	*			trans	95.2	137.3	162.1	-61.7	148.2	0	0	0	114.9
833	K	22.6	Very low	27.3	Very low	186 Å²	186	145.1 Å²	145.1	81%	0.809	76%	0.761	S	S	*	*			cis	-153.6	123.3	18.4	-158.8	175.9	-178.4	-179.2	0	115
834	N	25.9	Very low	27.3	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	76%	0.758	S	S	*	*			trans	40.4	143	152	-60.8	15.6	0	0	0	124.8
835	S	22.3	Very low	27.5	Very low	113 Å²	113	144.7 Å²	144.7	79%	0.79	75%	0.747	S	S	*	*			trans	-89.8	-172.8	174.1	-140.2	0	0	0	0	112.6
836	P	44.6	Very low	27.5	Very low	112 Å²	112	141.5 Å²	141.5	73%	0.727	73%	0.732	S	S	*	*			cis	-120.4	-173.4	34.9	35.4	-14	0	0	0	114
837	E	23.6	Very low	27.6	Very low	170 Å²	170	142 Å²	142	79%	0.794	72%	0.724	S	S	*	*			cis	-161.5	146	32.1	-162	163.3	-138.5	0	0	116.8
838	S	25.3	Very low	27.6	Very low	94 Å²	94	141.6 Å²	141.6	66%	0.657	72%	0.719	S	S	*	*			trans	58.5	126.7	154	64.3	0	0	0	0	126.1
839	T	24.8	Very low	27.7	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	72%	0.724	S	S	*	*			trans	58.7	103.4	142.1	50.9	0	0	0	0	119.9
840	E	25	Very low	27.4	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	72%	0.723	S	S	*	*				56.6	152.3	55.9	-109.1	-155.4	-155.4	0	0	114.9
841	P	40.8	Very low	27.4	Very low	85 Å²	85	142.3 Å²	142.3	55%	0.552	72%	0.722	S	S	*	*			cis	-150.8	-171.3	-4.8	30.4	-3.5	0	0	0	118.7
842	L	26.8	Very low	27.3	Very low	138 Å²	138	142.5 Å²	142.5	72%	0.723	72%	0.723	S	S	*	*			trans	83.1	146.2	152	-49.9	-171.5	0	0	0	120.4
843	K	25.1	Very low	27.5	Very low	135 Å²	135	143.6 Å²	143.6	59%	0.587	72%	0.724	S	S	*	*			cis	-160.1	155.1	-3.4	-121.4	174.8	-169.3	-69.8	0	114.3
844	E	27.4	Very low	27.8	Very low	144 Å²	144	140.9 Å²	140.9	67%	0.673	72%	0.723	S	S	*	*			trans	20.3	158.4	133.3	-71.9	154.1	-147	0	0	122.2
845	E	27.8	Very low	28	Very low	142 Å²	142	139.5 Å²	139.5	66%	0.664	73%	0.726	S	S	*	*			cis	-161.5	-153.1	-32.6	-136.2	-145.6	115.1	0	0	105.1	K847	E845-K847 IonicContact OE1-NZ 3.53Å; E845-K847 PolarHBondContact OE1-NZ 3.08Å; E845-K847 IonicContact OE2-NZ 2.72Å; E845-K847 PolarHBondContact OE2-NZ 3.02Å
846	E	28.2	Very low	28.8	Very low	113 Å²	113	141.2 Å²	141.2	53%	0.528	73%	0.731	S	S	.	*			cis	-138	-127	7.6	-153.2	-88	148.8	0	0	109.5
847	K	25.7	Very low	28.2	Very low	131 Å²	131	139.6 Å²	139.6	57%	0.57	74%	0.735	S	S	*	*			trans	-136.7	169.1	-169.4	-51.1	166.3	-163.4	61.9	0	110.1	E845	E845-K847 IonicContact OE1-NZ 3.53Å; E845-K847 PolarHBondContact OE1-NZ 3.08Å; E845-K847 IonicContact OE2-NZ 2.72Å; E845-K847 PolarHBondContact OE2-NZ 3.02Å
848	Q	27.1	Very low	28.9	Very low	154 Å²	154	138 Å²	138	72%	0.72	74%	0.736	S	S	*	*				159.9	130.8	107.4	-79.2	-155.8	13.9	0	0	115.3
849	H	27.1	Very low	30.1	Very low	170 Å²	170	135.8 Å²	135.8	79%	0.787	72%	0.721	S	S	*	*			trans	72.8	134	144.3	-95.9	-88.7	0	0	0	124.6
850	L	25.9	Very low	31.2	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	72%	0.721	S	S	*	*			trans	-83.2	159.6	169.3	-71.3	63.5	0	0	0	111.4
851	V	28.3	Very low	32.5	Very low	128 Å²	128	136.2 Å²	136.2	78%	0.776	72%	0.715	S	S	*	*				174.2	147.6	107.8	152.2	0	0	0	0	112.8
852	R	24.6	Very low	33.1	Very low	222 Å²	222	137 Å²	137	84%	0.838	71%	0.714	S	S	*	*			trans	79.1	93.2	163.8	-91.9	174.6	176.2	168.4	0.1	121.7
853	Q	28.1	Very low	34.6	Very low	169 Å²	169	134.6 Å²	134.6	79%	0.79	70%	0.701	S	S	*	*				32.2	122.5	118.3	-76	-179.1	-47.1	0	0	122.2
854	T	29.8	Very low	36.4	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	70%	0.696	S	S	*	*			trans	60	107	133.4	63.9	0	0	0	0	121.5
855	S	29.1	Very low	38.1	Very low	124 Å²	124	128.1 Å²	128.1	87%	0.867	68%	0.683	S	S	*	*				-156	161.2	122.8	65.6	0	0	0	0	110.7
856	T	39.3	Very low	39.9	Very low	148 Å²	148	126.9 Å²	126.9	91%	0.908	68%	0.68	S	S	*	*			trans	-86.4	138	179.7	39.1	0	0	0	0	112.1
857	G	32.1	Very low	41.9	Very low	78 Å²	78	127.2 Å²	127.2	80%	0.804	69%	0.685	S	S	*	*			trans	-158.9	133.2	174.8	0	0	0	0	0	111.4
858	V	39	Very low	44.3	Very low	136 Å²	136	125.5 Å²	125.5	82%	0.824	68%	0.681	S	S	*	*			trans	-104.1	149.2	-172.3	172.5	0	0	0	0	111.2
859	S	49.9	Very low	46.7	Very low	49 Å²	49	123.1 Å²	123.1	34%	0.343	67%	0.672	S	S	.	*			trans	67.1	106.6	166.7	-73.8	0	0	0	0	119.1	L862	S859-L862 WeakPolarHBondContact OG-CB 3.26Å
860	F	47.2	Very low	49.2	Very low	175 Å²	175	118.5 Å²	118.5	77%	0.768	66%	0.657	S	S	*	*	S	Bend	trans	-127.3	-42.4	138.6	-111.8	-92	0	0	0	111.5	L862 I863 T864	F860-L862 VanDerWaalsContact C-N 3.26Å; F860-L862 PolarHBondContact O-N 3.29Å; F860-I863 PolarHBondContact O-N 3.43Å; F860-T864 PolarHBondContact O-N 3.34Å
861	I	53.5	Low	51.9	Low	141 Å²	141	116.4 Å²	116.4	72%	0.723	65%	0.646	S	S	*	*	H	α-helix	trans	-57.9	-35.7	177	-60.7	171.9	0	0	0	112.3	I863 T864 T865	I861-I863 VanDerWaalsContact C-N 3.3Å; I861-I863 PolarHBondContact O-N 2.92Å; I861-T864 PolarHBondContact O-OG1 2.93Å; I861-T864 VanDerWaalsContact O-OG1 3.05Å; I861-T865 WeakPolarHBondContact O-CG2 3.44Å; I861-T865 PolarHBondContact O-N 3.19Å; I861-T865 PolarHBondContact O-OG1 3.07Å
862	L	52.7	Low	54.6	Low	102 Å²	102	115.3 Å²	115.3	53%	0.534	63%	0.634	S	S	.	*	H	α-helix	trans	-68	-26.2	176.9	-105	163.4	0	0	0	113.7	S859 F860 T865 L866	S859-L862 WeakPolarHBondContact OG-CB 3.26Å; F860-L862 VanDerWaalsContact C-N 3.26Å; F860-L862 PolarHBondContact O-N 3.29Å; L862-T865 PolarHBondContact O-OG1 3.22Å; L862-L866 WeakPolarHBondContact O-CB 3.47Å; L862-L866 WeakPolarHBondContact O-CD1 3.3Å; L862-L866 WeakPolarHBondContact O-CG 3.34Å; L862-L866 PolarHBondContact O-N 3Å
863	I	59.4	Low	57.4	Low	86 Å²	86	108.2 Å²	108.2	44%	0.441	62%	0.616	S	S	.	*	H	α-helix	trans	-82.3	-37.1	-179.1	-59.9	173.4	0	0	0	110	F860 I861 L867	F860-I863 PolarHBondContact O-N 3.43Å; I861-I863 VanDerWaalsContact C-N 3.3Å; I861-I863 PolarHBondContact O-N 2.92Å; I863-L867 PolarHBondContact O-N 3.3Å
864	T	61.9	Low	60.2	Low	79 Å²	79	105.5 Å²	105.5	49%	0.485	61%	0.606	S	S	.	*	H	α-helix	trans	-71.9	-37.1	177.4	51.1	0	0	0	0	112.6	F860 I861 I868	F860-T864 PolarHBondContact O-N 3.34Å; I861-T864 PolarHBondContact O-OG1 2.93Å; I861-T864 VanDerWaalsContact O-OG1 3.05Å; T864-I868 WeakPolarHBondContact O-CD1 3.34Å; T864-I868 WeakPolarHBondContact O-CG1 3.43Å
865	T	62.8	Low	62.8	Low	65 Å²	65	104.5 Å²	104.5	40%	0.399	60%	0.595	S	S	.	*	H	α-helix	trans	-68.1	-42	175.3	52.2	0	0	0	0	112.7	I861 L862 L867 I868 I869	I861-T865 WeakPolarHBondContact O-CG2 3.44Å; I861-T865 PolarHBondContact O-N 3.19Å; I861-T865 PolarHBondContact O-OG1 3.07Å; L862-T865 PolarHBondContact O-OG1 3.22Å; T865-L867 PolarHBondContact O-N 3.15Å; T865-I868 PolarHBondContact O-N 2.93Å; T865-I869 PolarHBondContact O-N 3.01Å
866	L	66.4	Low	65.4	Low	115 Å²	115	101.3 Å²	101.3	60%	0.602	58%	0.576	S	S	*	*	H	α-helix	trans	-62.2	-26.5	177.8	-82.2	170.7	0	0	0	114	L862 P870	L862-L866 WeakPolarHBondContact O-CB 3.47Å; L862-L866 WeakPolarHBondContact O-CD1 3.3Å; L862-L866 WeakPolarHBondContact O-CG 3.34Å; L862-L866 PolarHBondContact O-N 3Å; L866-P870 WeakPolarHBondContact O-CD 3.22Å
867	L	69.3	Low	67.6	Low	120 Å²	120	98.3 Å²	98.3	63%	0.628	55%	0.554	S	S	*	*	H	α-helix	trans	-83.9	-21.8	177.3	-78.8	167.9	0	0	0	114.2	I863 T865 I871	I863-L867 PolarHBondContact O-N 3.3Å; T865-L867 PolarHBondContact O-N 3.15Å; L867-I871 WeakPolarHBondContact O-CD1 3.46Å
868	I	77	Confident	69.9	Low	95 Å²	95	99.8 Å²	99.8	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-83.3	-39.5	-176.9	-69.7	167.1	0	0	0	111.6	T864 T865 I871 I872	T864-I868 WeakPolarHBondContact O-CD1 3.34Å; T864-I868 WeakPolarHBondContact O-CG1 3.43Å; T865-I868 PolarHBondContact O-N 2.93Å; I868-I871 PolarHBondContact O-N 3.08Å; I868-I871 VanDerWaalsContact O-N 3.16Å; I868-I872 HydrophobicContact CG2-CD1 3.74Å; I868-I872 HydrophobicContact CG2-CG1 4.31Å; I868-I872 PolarHBondContact O-N 3.28Å
869	I	78.4	Confident	71.9	Confident	105 Å²	105	98.2 Å²	98.2	54%	0.538	53%	0.533	S	S	.	.	H	α-helix	trans	-57.3	-46	-176.5	-63.7	166.1	0	0	0	112.8	T865 I871 I872 V873	T865-I869 PolarHBondContact O-N 3.01Å; I869-I871 VanDerWaalsContact C-N 3.27Å; I869-I871 PolarHBondContact O-N 3.16Å; I869-I872 PolarHBondContact O-N 3.02Å; I869-V873 HydrophobicContact CG2-CG2 4.46Å; I869-V873 WeakPolarHBondContact O-CG2 3.49Å; I869-V873 PolarHBondContact O-N 3.49Å
870	P	79.4	Confident	73.2	Confident	72 Å²	72	101 Å²	101	47%	0.468	54%	0.539	S	S	.	.	H	α-helix	trans	-61.1	-32.2	178.4	-24.5	35.2	0	0	0	114.1	L866 L874	L866-P870 WeakPolarHBondContact O-CD 3.22Å; P870-L874 WeakPolarHBondContact O-CB 3.49Å; P870-L874 PolarHBondContact O-N 3.5Å
871	I	82.4	Confident	74.8	Confident	106 Å²	106	97.1 Å²	97.1	54%	0.544	53%	0.526	S	S	.	.	H	α-helix	trans	-71.5	-41.7	-179.7	-59.5	174.1	0	0	0	110.3	L867 I868 I869 L874 L875	L867-I871 WeakPolarHBondContact O-CD1 3.46Å; I868-I871 PolarHBondContact O-N 3.08Å; I868-I871 VanDerWaalsContact O-N 3.16Å; I869-I871 VanDerWaalsContact C-N 3.27Å; I869-I871 PolarHBondContact O-N 3.16Å; I871-L874 PolarHBondContact O-N 3.28Å; I871-L875 HydrophobicContact CG2-CD1 4.47Å; I871-L875 WeakPolarHBondContact O-CG 3.24Å; I871-L875 PolarHBondContact O-N 3.28Å; I871-L875 VanDerWaalsContact O-N 3.09Å
872	I	84.8	Confident	75.6	Confident	105 Å²	105	100.3 Å²	100.3	54%	0.538	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175.3	-64.6	174.2	0	0	0	110.5	I868 I869 L874 L875 A876	I868-I872 HydrophobicContact CG2-CD1 3.74Å; I868-I872 HydrophobicContact CG2-CG1 4.31Å; I868-I872 PolarHBondContact O-N 3.28Å; I869-I872 PolarHBondContact O-N 3.02Å; I872-L874 PolarHBondContact O-N 2.9Å; I872-L875 PolarHBondContact O-N 3.49Å; I872-A876 PolarHBondContact O-N 2.93Å
873	V	83.9	Confident	76.5	Confident	74 Å²	74	103.4 Å²	103.4	45%	0.448	53%	0.533	S	S	.	.	H	α-helix	trans	-61.9	-42.2	176.3	172	0	0	0	0	111.7	I869 L875 A876 I877	I869-V873 HydrophobicContact CG2-CG2 4.46Å; I869-V873 WeakPolarHBondContact O-CG2 3.49Å; I869-V873 PolarHBondContact O-N 3.49Å; V873-L875 PolarHBondContact O-N 3.05Å; V873-A876 PolarHBondContact O-N 3.12Å; V873-I877 HydrophobicContact CG1-CD1 3.77Å; V873-I877 HydrophobicContact CG1-CG1 4.45Å; V873-I877 VanDerWaalsContact O-CG1 3.3Å; V873-I877 WeakPolarHBondContact O-CG1 3.41Å; V873-I877 PolarHBondContact O-N 3.1Å
874	L	85	Confident	76.8	Confident	112 Å²	112	107.1 Å²	107.1	59%	0.586	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-40.2	175.8	-101.5	164.1	0	0	0	113	P870 I871 I872 L878	P870-L874 WeakPolarHBondContact O-CB 3.49Å; P870-L874 PolarHBondContact O-N 3.5Å; I871-L874 PolarHBondContact O-N 3.28Å; I872-L874 PolarHBondContact O-N 2.9Å; L874-L878 PolarHBondContact O-N 3.11Å
875	L	85.4	Confident	76.6	Confident	108 Å²	108	111.6 Å²	111.6	57%	0.565	55%	0.554	S	S	*	*	H	α-helix	trans	-67.1	-42.1	175.4	-73	168.7	0	0	0	111.9	I871 I872 V873 I877 L878 V879	I871-L875 HydrophobicContact CG2-CD1 4.47Å; I871-L875 WeakPolarHBondContact O-CG 3.24Å; I871-L875 PolarHBondContact O-N 3.28Å; I871-L875 VanDerWaalsContact O-N 3.09Å; I872-L875 PolarHBondContact O-N 3.49Å; V873-L875 PolarHBondContact O-N 3.05Å; L875-I877 PolarHBondContact O-N 3.19Å; L875-L878 WeakPolarHBondContact O-CB 3.16Å; L875-L878 PolarHBondContact O-N 2.77Å; L875-V879 WeakPolarHBondContact O-CG2 3.26Å; L875-V879 PolarHBondContact O-N 2.61Å
876	A	83.3	Confident	76.3	Confident	57 Å²	57	113.8 Å²	113.8	47%	0.471	57%	0.568	S	S	.	*	H	α-helix	trans	-61.5	-42.8	175.4	0	0	0	0	0	112.1	I872 V873 L878 V879 F880	I872-A876 PolarHBondContact O-N 2.93Å; V873-A876 PolarHBondContact O-N 3.12Å; A876-L878 PolarHBondContact O-N 3.12Å; A876-V879 PolarHBondContact O-N 2.95Å; A876-F880 WeakPolarHBondContact O-CB 3.24Å; A876-F880 PolarHBondContact O-N 2.75Å
877	I	85.7	Confident	75.5	Confident	85 Å²	85	113 Å²	113	44%	0.436	57%	0.568	S	S	.	*	H	α-helix	trans	-62.5	-41.6	175.2	-69.9	167.1	0	0	0	111.1	V873 L875 V879 F880 I881	V873-I877 HydrophobicContact CG1-CD1 3.77Å; V873-I877 HydrophobicContact CG1-CG1 4.45Å; V873-I877 VanDerWaalsContact O-CG1 3.3Å; V873-I877 WeakPolarHBondContact O-CG1 3.41Å; V873-I877 PolarHBondContact O-N 3.1Å; L875-I877 PolarHBondContact O-N 3.19Å; I877-V879 PolarHBondContact O-N 3.31Å; I877-F880 PolarHBondContact O-N 3.21Å; I877-I881 HydrophobicContact CG2-CD1 3.69Å; I877-I881 HydrophobicContact CG2-CG1 4.34Å; I877-I881 WeakPolarHBondContact O-CB 3.2Å; I877-I881 VanDerWaalsContact O-CG1 3.28Å; I877-I881 WeakPolarHBondContact O-CG1 3.19Å; I877-I881 PolarHBondContact O-N 3.1Å
878	L	81	Confident	74.6	Confident	109 Å²	109	111.6 Å²	111.6	57%	0.571	56%	0.564	S	S	*	*	H	α-helix	trans	-61.6	-42	175.4	-92.1	164.6	0	0	0	112.6	L874 L875 A876 R882	L874-L878 PolarHBondContact O-N 3.11Å; L875-L878 WeakPolarHBondContact O-CB 3.16Å; L875-L878 PolarHBondContact O-N 2.77Å; A876-L878 PolarHBondContact O-N 3.12Å; L878-R882 WeakPolarHBondContact O-CB 3.31Å; L878-R882 PolarHBondContact O-N 2.9Å; L878-R882 VanDerWaalsContact O-N 3.13Å
879	V	80.1	Confident	73	Confident	103 Å²	103	117.5 Å²	117.5	62%	0.624	58%	0.582	S	S	*	*	H	α-helix	trans	-64.5	-46.1	174.5	172.9	0	0	0	0	110.8	L875 A876 I877 I881 R882 W883	L875-V879 WeakPolarHBondContact O-CG2 3.26Å; L875-V879 PolarHBondContact O-N 2.61Å; A876-V879 PolarHBondContact O-N 2.95Å; I877-V879 PolarHBondContact O-N 3.31Å; V879-I881 PolarHBondContact O-N 2.82Å; V879-R882 PolarHBondContact O-N 2.59Å; V879-R882 VanDerWaalsContact O-N 3.16Å; V879-W883 PolarHBondContact O-N 2.87Å
880	F	78.3	Confident	70.8	Confident	106 Å²	106	116.5 Å²	116.5	47%	0.465	60%	0.598	S	S	.	*	H	α-helix	trans	-62.7	-42.8	180	-172.9	-104.2	0	0	0	112.8	A876 I877 R882 W883 R884	A876-F880 WeakPolarHBondContact O-CB 3.24Å; A876-F880 PolarHBondContact O-N 2.75Å; I877-F880 PolarHBondContact O-N 3.21Å; F880-R882 VanDerWaalsContact C-N 3.31Å; F880-R882 PolarHBondContact O-N 3.41Å; F880-W883 HydrophobicContact CD2-CE3 4.08Å; F880-W883 HydrophobicContact CD2-CZ3 4.39Å; F880-W883 HydrophobicContact CE2-CE3 4.29Å; F880-W883 HydrophobicContact CE2-CZ3 4.3Å; F880-W883 PolarHBondContact O-N 3.25Å; F880-R884 VanDerWaalsContact O-CB 3.28Å; F880-R884 WeakPolarHBondContact O-CB 3.4Å; F880-R884 PolarHBondContact O-N 3.48Å
881	I	79.4	Confident	68.6	Low	94 Å²	94	116.7 Å²	116.7	48%	0.482	61%	0.613	S	S	.	*	H	α-helix	trans	-61.5	-40.1	174.1	-70.6	168.2	0	0	0	111	I877 V879 K885	I877-I881 HydrophobicContact CG2-CD1 3.69Å; I877-I881 HydrophobicContact CG2-CG1 4.34Å; I877-I881 WeakPolarHBondContact O-CB 3.2Å; I877-I881 VanDerWaalsContact O-CG1 3.28Å; I877-I881 WeakPolarHBondContact O-CG1 3.19Å; I877-I881 PolarHBondContact O-N 3.1Å; V879-I881 PolarHBondContact O-N 2.82Å; I881-K885 PolarHBondContact O-N 2.97Å; I881-K885 VanDerWaalsContact O-N 3.15Å
882	R	71.5	Confident	66.4	Low	208 Å²	208	120 Å²	120	79%	0.785	63%	0.632	S	S	*	*	H	α-helix	trans	-68.9	-41	-179.5	-156.4	170.1	-169	160.2	1.2	111.6	L878 V879 F880 T886	L878-R882 WeakPolarHBondContact O-CB 3.31Å; L878-R882 PolarHBondContact O-N 2.9Å; L878-R882 VanDerWaalsContact O-N 3.13Å; V879-R882 PolarHBondContact O-N 2.59Å; V879-R882 VanDerWaalsContact O-N 3.16Å; F880-R882 VanDerWaalsContact C-N 3.31Å; F880-R882 PolarHBondContact O-N 3.41Å; R882-T886 PolarHBondContact O-OG1 3.2Å
883	W	71	Confident	63.9	Low	168 Å²	168	119.9 Å²	119.9	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-66.6	-46.9	175	-176.6	40.1	0	0	0	112.3	V879 F880 K885 T886 T887	V879-W883 PolarHBondContact O-N 2.87Å; F880-W883 HydrophobicContact CD2-CE3 4.08Å; F880-W883 HydrophobicContact CD2-CZ3 4.39Å; F880-W883 HydrophobicContact CE2-CE3 4.29Å; F880-W883 HydrophobicContact CE2-CZ3 4.3Å; F880-W883 PolarHBondContact O-N 3.25Å; W883-K885 PolarHBondContact O-N 2.73Å; W883-T886 PolarHBondContact O-N 2.84Å; W883-T886 PolarHBondContact O-OG1 3.33Å; W883-T887 PolarHBondContact O-OG1 3Å
884	R	66.4	Low	61.6	Low	164 Å²	164	124.2 Å²	124.2	62%	0.619	66%	0.662	S	S	*	*	H	α-helix	trans	-65.6	-21.9	179.3	-159.7	177.9	-167.3	-169.5	5.8	113.3	F880 V888	F880-R884 VanDerWaalsContact O-CB 3.28Å; F880-R884 WeakPolarHBondContact O-CB 3.4Å; F880-R884 PolarHBondContact O-N 3.48Å; R884-V888 HydrophobicContact CG-CG2 4.45Å; R884-V888 WeakPolarHBondContact O-CG2 3.49Å
885	K	57.2	Low	59.1	Low	172 Å²	172	125.6 Å²	125.6	75%	0.748	67%	0.665	S	S	*	*	H	α-helix	trans	-75	-24.6	171.6	-101.7	-171.3	172.6	-175	0	114.1	I881 W883	I881-K885 PolarHBondContact O-N 2.97Å; I881-K885 VanDerWaalsContact O-N 3.15Å; W883-K885 PolarHBondContact O-N 2.73Å
886	T	56.3	Low	56.4	Low	111 Å²	111	128.3 Å²	128.3	68%	0.681	67%	0.672	S	S	*	*	H	α-helix	trans	-88.1	-11	-178.2	38.2	0	0	0	0	114.9	R882 W883	R882-T886 PolarHBondContact O-OG1 3.2Å; W883-T886 PolarHBondContact O-N 2.84Å; W883-T886 PolarHBondContact O-OG1 3.33Å
887	T	49.8	Very low	53.8	Low	98 Å²	98	132.1 Å²	132.1	60%	0.601	68%	0.684	S	S	*	*	S	Bend	trans	-114.5	0	-173.6	38.8	0	0	0	0	115.5	W883	W883-T887 PolarHBondContact O-OG1 3Å
888	V	51.2	Low	51.1	Low	92 Å²	92	134.8 Å²	134.8	56%	0.558	70%	0.699	S	S	*	*	S	Bend	trans	-122.2	-6.1	-167.5	-177.3	0	0	0	0	114.4	R884	R884-V888 HydrophobicContact CG-CG2 4.45Å; R884-V888 WeakPolarHBondContact O-CG2 3.49Å
889	Y	41.9	Very low	48.5	Very low	218 Å²	218	134.9 Å²	134.9	86%	0.855	71%	0.709	S	S	*	*	S	Bend	trans	-140.9	116.6	179.6	-85.8	-83	0	0	0	114
890	G	33.5	Very low	46	Very low	85 Å²	85	134.5 Å²	134.5	88%	0.876	71%	0.711	S	S	*	*			trans	104.8	111.6	166.9	0	0	0	0	0	114.5
891	G	32.6	Very low	43.7	Very low	76 Å²	76	135.3 Å²	135.3	78%	0.784	73%	0.73	S	S	*	*			cis	168.8	149.9	-7.8	0	0	0	0	0	112.5
892	D	37	Very low	41.2	Very low	175 Å²	175	134.6 Å²	134.6	94%	0.936	75%	0.746	S	S	*	*			trans	-74.9	142.1	178.5	-64.5	-69.4	0	0	0	113.4
893	A	32.3	Very low	39.3	Very low	103 Å²	103	135.5 Å²	135.5	85%	0.851	75%	0.749	S	S	*	*			trans	-155.8	145.6	158.7	0	0	0	0	0	109.8
894	E	34.4	Very low	37.4	Very low	165 Å²	165	134.2 Å²	134.2	77%	0.771	75%	0.753	S	S	*	*			trans	-93.6	151.7	-165	-46.5	167.2	71.8	0	0	114.3
895	H	32.2	Very low	35.7	Very low	140 Å²	140	133.7 Å²	133.7	65%	0.648	76%	0.762	S	S	*	*				164.3	131.1	95.6	-103	-12.4	0	0	0	115.5
896	K	29.5	Very low	34.3	Very low	166 Å²	166	128.7 Å²	128.7	72%	0.722	76%	0.759	S	S	*	*			trans	57.2	129	134.3	-81.2	-178.7	171.4	174.2	0	124.7
897	L	28.2	Very low	33.1	Very low	137 Å²	137	133.8 Å²	133.8	72%	0.717	77%	0.766	S	S	*	*			trans	87.6	122.6	132.9	-68.7	166.5	0	0	0	121.9
898	D	28.6	Very low	32.2	Very low	141 Å²	141	135.8 Å²	135.8	75%	0.754	77%	0.772	S	S	*	*			trans	68.1	112	132.1	-66.3	5.2	0	0	0	124
899	S	27.8	Very low	31.1	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	79%	0.788	S	S	*	*				83	120.6	114.5	-158.2	0	0	0	0	122
900	S	27.8	Very low	30.6	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	78%	0.777	S	S	*	*			trans	63.1	113.7	135.2	-164.9	0	0	0	0	122.1
901	S	29.8	Very low	30.6	Very low	124 Å²	124	141.7 Å²	141.7	87%	0.867	78%	0.782	S	S	*	*			trans	70.3	163.1	146.3	82.2	0	0	0	0	118.3
902	G	27.3	Very low	30.6	Very low	79 Å²	79	142.3 Å²	142.3	81%	0.814	79%	0.788	S	S	*	*			trans	146.3	67.5	174.2	0	0	0	0	0	116.6
903	R	29.8	Very low	30.3	Very low	227 Å²	227	138 Å²	138	86%	0.857	79%	0.785	S	S	*	*			trans	-56.4	143.3	172.3	-85.5	175	165.6	-177	-2.4	114.2
904	I	31.9	Very low	30.2	Very low	141 Å²	141	137.4 Å²	137.4	72%	0.723	79%	0.789	S	S	*	*			trans	74.1	145.3	137.6	-67.5	170.2	0	0	0	114.9
905	L	30.1	Very low	30	Very low	152 Å²	152	133 Å²	133	80%	0.796	79%	0.788	S	S	*	*			cis	-156.1	132.5	28.9	-149.9	157.7	0	0	0	114.4
906	G	28.3	Very low	30.1	Very low	68 Å²	68	135.2 Å²	135.2	70%	0.701	80%	0.804	S	S	*	*			trans	73.7	173.2	142.7	0	0	0	0	0	121
907	R	31.7	Very low	30.1	Very low	217 Å²	217	134.4 Å²	134.4	82%	0.819	81%	0.807	S	S	*	*			cis	-165.8	154.8	-16.4	-144.2	-173.2	-176	-172.5	3	111.1
908	L	29.8	Very low	30.3	Very low	141 Å²	141	136.5 Å²	136.5	74%	0.738	82%	0.818	S	S	*	*			trans	71.3	159.5	165	-56.3	162.5	0	0	0	116.4
909	R	28.3	Very low	30.3	Very low	233 Å²	233	133 Å²	133	88%	0.879	82%	0.816	S	S	*	*			cis	167	134.5	-25.8	179	-177.2	-170.5	-175.5	5.6	105.8
910	G	30.8	Very low	30.6	Very low	62 Å²	62	135.1 Å²	135.1	64%	0.639	82%	0.818	S	S	*	*			cis	162.7	-178.7	-0.9	0	0	0	0	0	110.2
911	K	35.1	Very low	30.6	Very low	224 Å²	224	140.7 Å²	140.7	97%	0.974	83%	0.831	S	S	*	*			trans	76.1	133.2	-173.3	-55.5	-177.9	174.9	-175	0	115.4
912	G	31.9	Very low	30.6	Very low	89 Å²	89	144.1 Å²	144.1	92%	0.918	83%	0.831	S	S	*	*			cis	139.2	140.1	-20.6	0	0	0	0	0	115.8
913	G	30.9	Very low	30.8	Very low	84 Å²	84	144.9 Å²	144.9	87%	0.866	83%	0.83	S	S	*	*			trans	154.3	127.2	167.6	0	0	0	0	0	113.7
914	G	30.8	Very low	30.9	Very low	91 Å²	91	138.5 Å²	138.5	94%	0.938	82%	0.82	S	S	*	*			trans	88.2	71.6	162.4	0	0	0	0	0	117.9
915	G	30.4	Very low	30.9	Very low	73 Å²	73	139.8 Å²	139.8	75%	0.753	82%	0.822	S	S	*	*			trans	-150.2	129.5	166	0	0	0	0	0	111.3
916	L	32.6	Very low	31	Very low	185 Å²	185	140.7 Å²	140.7	97%	0.969	82%	0.82	S	S	*	*			trans	-90	142.1	177.6	-84.2	165.2	0	0	0	111
917	N	29.8	Very low	31.1	Very low	149 Å²	149	141 Å²	141	80%	0.797	82%	0.823	S	S	*	*			trans	-93.4	142.6	-179.9	-73.2	-80	0	0	0	111.4
918	L	32.6	Very low	30.9	Very low	182 Å²	182	142 Å²	142	95%	0.953	83%	0.828	S	S	*	*			trans	-129.2	128.5	137.9	-84	173.7	0	0	0	107.7
919	G	29.7	Very low	31	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	82%	0.82	S	S	*	*			trans	-134.3	147.5	178.3	0	0	0	0	0	110.1
920	N	34.1	Very low	31.3	Very low	155 Å²	155	139.6 Å²	139.6	83%	0.829	82%	0.822	S	S	*	*			trans	-49	149.2	-179.9	-53.2	-17.2	0	0	0	112.9
921	F	26.8	Very low	31.3	Very low	210 Å²	210	146.4 Å²	146.4	92%	0.921	83%	0.834	S	S	*	*				-156.6	134	127.5	-112.4	-71.6	0	0	0	112
922	F	30.1	Very low	31	Very low	196 Å²	196	138 Å²	138	86%	0.86	81%	0.81	S	S	*	*			trans	-87.8	141.8	169.8	-98.2	-91.9	0	0	0	110.8
923	A	30.9	Very low	30.8	Very low	96 Å²	96	143.4 Å²	143.4	79%	0.793	81%	0.809	S	S	*	*			trans	57.7	129.9	156.9	0	0	0	0	0	120.3
924	S	31.7	Very low	30.7	Very low	93 Å²	93	146.3 Å²	146.3	65%	0.65	81%	0.805	S	S	*	*				155.3	123.7	110.4	-177.3	0	0	0	0	113.9
925	H	32.6	Very low	30.7	Very low	167 Å²	167	152.1 Å²	152.1	77%	0.773	80%	0.798	S	S	*	*			trans	-158.1	100.7	147.5	-110.2	-95.2	0	0	0	107.2
926	K	31.6	Very low	30.5	Very low	172 Å²	172	155.5 Å²	155.5	75%	0.748	80%	0.798	S	S	*	*				65.4	121.8	88.7	-69.9	173	-178.4	167.1	0	113.9
927	G	31.6	Very low	30.4	Very low	74 Å²	74	151.8 Å²	151.8	76%	0.763	79%	0.788	S	S	*	*			cis	126.3	134.1	-8.5	0	0	0	0	0	115.3
928	Y	27	Very low	30.4	Very low	238 Å²	238	150 Å²	150	93%	0.933	78%	0.782	S	S	*	*			trans	-166.1	154.6	175.5	-123.2	-96.5	0	0	0	109.8
929	S	31.6	Very low	30.2	Very low	80 Å²	80	150 Å²	150	56%	0.559	78%	0.777	S	S	*	*				-167.6	119.9	-52.6	156.3	0	0	0	0	112.7
930	R	35.6	Very low	30.1	Very low	243 Å²	243	149.9 Å²	149.9	92%	0.917	78%	0.776	S	S	*	*			trans	66.7	144.9	164.1	-63.8	166.2	152.9	165.1	-8	116.4
931	K	29.3	Very low	29.9	Very low	206 Å²	206	147.9 Å²	147.9	90%	0.896	77%	0.774	S	S	*	*			cis	-132.9	-177.5	12.1	-105	-168.2	176.1	-170.2	0	110.4
932	G	29.1	Very low	30.1	Very low	46 Å²	46	145.1 Å²	145.1	47%	0.474	77%	0.769	S	S	.	*			cis	126.2	106	-15.1	0	0	0	0	0	118.4
933	F	28.7	Very low	30.2	Very low	204 Å²	204	144.5 Å²	144.5	90%	0.895	77%	0.769	S	S	*	*			trans	72.4	150.2	170	-62	-88.3	0	0	0	117.4
934	D	28.7	Very low	30.2	Very low	145 Å²	145	148.5 Å²	148.5	78%	0.775	77%	0.771	S	S	*	*			cis	-146.5	-153	4.8	-139.6	-42.5	0	0	0	114.4
935	R	29.9	Very low	30.2	Very low	212 Å²	212	151.9 Å²	151.9	80%	0.8	77%	0.774	S	S	*	*			trans	-121.3	169.2	-155	-163.4	-178.1	-175.5	173.3	0.6	115.9
936	L	27.1	Very low	30.2	Very low	145 Å²	145	149.1 Å²	149.1	76%	0.759	77%	0.765	S	S	*	*			trans	83.7	130.8	171.4	-56.9	166.5	0	0	0	115.1
937	S	29.3	Very low	30.2	Very low	106 Å²	106	149.5 Å²	149.5	74%	0.741	77%	0.77	S	S	*	*				72.4	137.8	68.3	-47.5	0	0	0	0	112.8
938	T	29.6	Very low	30.4	Very low	112 Å²	112	153 Å²	153	69%	0.687	77%	0.771	S	S	*	*			cis	-146.7	-176.4	29.2	45	0	0	0	0	114.3
939	E	29	Very low	30.8	Very low	182 Å²	182	149.3 Å²	149.3	85%	0.85	77%	0.767	S	S	*	*			trans	67.1	152.3	162.4	-70.5	134	-113.3	0	0	119.6
940	G	28.2	Very low	30.7	Very low	66 Å²	66	148.7 Å²	148.7	68%	0.68	77%	0.773	S	S	*	*			cis	152.7	141.6	-9.8	0	0	0	0	0	113.9
941	S	29.9	Very low	30.6	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	77%	0.768	S	S	*	*			trans	67	152.7	173.4	-91.1	0	0	0	0	117.4
942	D	31	Very low	31	Very low	152 Å²	152	140.7 Å²	140.7	81%	0.813	76%	0.764	S	S	*	*			cis	-139.7	-179.4	3	-93.8	-37.9	0	0	0	112.9
943	Q	31.2	Very low	31.6	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	78%	0.778	S	S	*	*			trans	-116.2	157.9	-175.6	-59.2	172.7	-111.5	0	0	113.6
944	E	31.7	Very low	32.1	Very low	180 Å²	180	143 Å²	143	84%	0.841	78%	0.777	S	S	*	*			trans	-178.6	136.1	132.7	-96.3	165	-164.4	0	0	107.3
945	K	31.2	Very low	32.9	Very low	164 Å²	164	145.2 Å²	145.2	71%	0.713	78%	0.782	S	S	*	*				54.9	140.4	75.3	-66.7	-176.8	123	-71.3	0	113.9
946	D	32.9	Very low	33.5	Very low	109 Å²	109	143.6 Å²	143.6	58%	0.583	78%	0.784	S	S	*	*			cis	-168.5	172.2	-19.6	-97.7	-14.4	0	0	0	106.2
947	E	32.4	Very low	34.5	Very low	180 Å²	180	144.9 Å²	144.9	84%	0.841	78%	0.78	S	S	*	*			trans	65.5	161.9	163.6	-70.4	158.9	-139	0	0	117.3
948	D	35	Very low	35.2	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	78%	0.784	S	S	*	*			cis	-157.8	-171.4	-42.8	-146.9	-11.9	0	0	0	110.1
949	D	34.7	Very low	36	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	78%	0.778	S	S	*	*			trans	-40.5	157.9	179.8	-84.9	-34.5	0	0	0	120.7
950	G	31.1	Very low	37.8	Very low	66 Å²	66	140.1 Å²	140.1	68%	0.68	77%	0.773	S	S	*	*			trans	136.8	100	133.7	0	0	0	0	0	123.2
951	T	32.1	Very low	39.5	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	78%	0.776	S	S	*	*			trans	46.6	126.4	135.6	56.8	0	0	0	0	125.9
952	D	38.9	Very low	40.7	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	78%	0.775	S	S	*	*			trans	34.2	144.1	133.7	-55.4	-22.8	0	0	0	125.5
953	S	40.5	Very low	42.5	Very low	110 Å²	110	141 Å²	141	77%	0.769	77%	0.772	S	S	*	*				154.9	155.6	105.4	61.1	0	0	0	0	119.4
954	E	38.8	Very low	43.5	Very low	187 Å²	187	138.1 Å²	138.1	87%	0.874	77%	0.769	S	S	*	*			trans	84.6	158.8	154.1	-64.7	-67.3	118.9	0	0	125.3
955	E	46.2	Very low	43.9	Very low	192 Å²	192	134.1 Å²	134.1	90%	0.897	77%	0.767	S	S	*	*			trans	-132.1	-131.3	-162.5	-53	-172.3	132.5	0	0	117.4
956	E	42.7	Very low	45.7	Very low	178 Å²	178	132.4 Å²	132.4	83%	0.832	77%	0.773	S	S	*	*			trans	75.7	163.1	-176.6	-96.5	-98.9	132.9	0	0	120
957	Y	48.6	Very low	45.8	Very low	173 Å²	173	132.5 Å²	132.5	68%	0.678	78%	0.782	S	S	*	*				-164	161	-75.8	-179.8	-127.4	0	0	0	112.2
958	S	43.3	Very low	46.3	Very low	117 Å²	117	129.2 Å²	129.2	82%	0.818	78%	0.779	S	S	*	*			trans	179.5	151.6	152.6	-86.8	0	0	0	0	115.4
959	A	45.7	Very low	46.5	Very low	68 Å²	68	131.1 Å²	131.1	56%	0.562	80%	0.804	S	S	*	*			trans	-148.6	-153.1	-168.3	0	0	0	0	0	112.1
960	P	68.2	Low	47.1	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	80%	0.801	S	S	*	*			cis	-118.4	-136.9	-24.3	42.2	-24.3	0	0	0	109.5
961	P	62.7	Low	48	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	81%	0.808	S	S	*	*			cis	-116.7	-136	-28.7	37.3	-15.4	0	0	0	109.6
962	P	56.3	Low	48.8	Very low	116 Å²	116	133.2 Å²	133.2	75%	0.753	81%	0.808	S	S	*	*			cis	-129.9	-174.5	-20.5	41.1	-21.9	0	0	0	115.7
963	P	68.2	Low	49.4	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	81%	0.808	S	S	*	*			trans	-120.4	174.1	-171.3	45.2	-34.5	0	0	0	115.9
964	P	51.5	Low	50	Low	122 Å²	122	133.5 Å²	133.5	79%	0.792	81%	0.81	S	S	*	*				-151.5	148.6	90.5	39.5	-21.3	0	0	0	119.1
965	A	40.4	Very low	50.7	Low	97 Å²	97	129.9 Å²	129.9	80%	0.802	81%	0.806	S	S	*	*			trans	66	148.5	144.6	0	0	0	0	0	123
966	P	68.6	Low	51.1	Low	128 Å²	128	125.5 Å²	125.5	83%	0.831	80%	0.8	S	S	*	*			trans	-124.9	170.4	-175	43.7	-31.3	0	0	0	116.4
967	S	36.7	Very low	51.7	Low	111 Å²	111	121.5 Å²	121.5	78%	0.776	80%	0.797	S	S	*	*			trans	-161.2	159.1	148.6	63.1	0	0	0	0	112.6
968	S	42.3	Very low	52	Low	111 Å²	111	117.2 Å²	117.2	78%	0.776	81%	0.807	S	S	*	*			trans	-33	156.6	166.8	53.4	0	0	0	0	116.9
969	S	39.8	Very low	52.8	Low	189 Å²	189	117.2 Å²	117.2	100%	1.322	81%	0.806	S	S	*	*			cis	-144.9	0	24.3	59.1	0	0	0	0	114.1

Retrieved 969 of 969 residues in 1757.8 ms (Link to these results)

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