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E3 ubiquitin-protein ligase TRIM71

E3 ubiquitin-protein ligase that cooperates with the microRNAs (miRNAs) machinery and promotes embryonic stem cells proliferation and maintenance. Binds to miRNAs and participates in post-transcriptional repression of transcripts. Required to maintain proliferation and prevent premature differentiation of neural progenitor cells during early neural development.

AlphaFold DB , UniProt , Accession Z4YJC3, Species CHICK (Gallus gallus, Chicken), Gene TRIM71, Length 877 aa.

						>Z4YJC3_CHICK|Z4YJC3|TRIM71
MASFPEADFQVCPLCKEMCGSPAPLSSNSSTSSSSSQTSGSSGGGGSSCGGAARRLHVLPCLHAFCRQCLEAQRHPAAGDALKLRCPICDQKVVISEPSGMDALPSSNFLLSNLLDVVVVAAAADEQKNGRAAGSGPAAGSGAGGGGANNRHHGRPPPHRAAAAAASSPAAGSAAPSASSSSSSGGGGPAALLLRRPHSRQGEPRCSSCDEGNAASSRCLDCQEHLCDNCVRAHQRVRLTKDHFIERFAAGPAAASAGPAAPLALSPPYPASPYNILSVFPERASYCQHHDDEVLHFYCDTCSVPICRECTMGRHVGHSFIYLQDALQDSRTLTIQLLADAQQGRQAIQLSIEQAQAVAEQVEMKAKVVQSEVKAVTTRHKKALEERECELLWKVEKIRQVKAKSLYLQVEKLRQNLNKLDNTISAVQQVLEEGRTIDILLARDRMLAQVQELKNVRGLLQPQEDDRIMFTPPDQALYMAIKSMGFVSSGAFAPLTKATGEGLKRALQGKVASFTVIGYDHDGEPRLSGGDMISAVVMGPDGNLFGADVSDQQNGTYLVSYRPQLEGEHLVSVMMCNQHIENSPFKVVVKSGRSYIGIGLPGLSFGSEGDSDGKLCRPWGVSVDKEGYIIVADRSNNRIQVFKPCGTFHHKFGTLGSRPGQFDRPAGVACDVSRRIVVADKDNHRIQIFTFEGQFILKFGEKGTKNGQFNYPWDVAVNAEGKILVSDTRNHRVQLFGPDGVFLNKYGFEGALWKHFDSPRGVTFNHEGHLVVTDFNNHRLLVIHADCQSARFLGSEGSGNGQFLRPQGVAVDQEGRIIVADSRNHRVQIFESNGSFLCKFGAQGSGFGQMDRPSGIAVTPDGMIVVVDFGNNRILVF
					

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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	26.6	Very low	36.4	Very low	240 Å²	240	106.9 Å²	106.9	100%	1.182	60%	0.596	S	S	*	*				0	147.2	0	-70.7	163.7	166	0	0	107.9
2	A	22.6	Very low	38.3	Very low	84 Å²	84	98.3 Å²	98.3	69%	0.694	55%	0.548	S	S	*	.			trans	-89	100.5	161.5	0	0	0	0	0	107.1	F4	A2-F4 HydrophobicContact CB-CE2 4.34Å; A2-F4 PolarHBondContact O-N 3.04Å
3	S	24.1	Very low	40.3	Very low	107 Å²	107	94.7 Å²	94.7	75%	0.748	53%	0.532	S	S	*	.			trans	-78	99	176.5	50.6	0	0	0	0	109.2	P5	S3-P5 VanDerWaalsContact O-CD 3.31Å; S3-P5 WeakPolarHBondContact O-CD 3.21Å
4	F	27.9	Very low	42.1	Very low	155 Å²	155	90.4 Å²	90.4	68%	0.68	51%	0.506	S	S	*	.			trans	-72.8	117.5	167.7	-71.7	-83.6	0	0	0	108.9	A2	A2-F4 HydrophobicContact CB-CE2 4.34Å; A2-F4 PolarHBondContact O-N 3.04Å
5	P	32.8	Very low	43.4	Very low	73 Å²	73	86.7 Å²	86.7	47%	0.474	49%	0.489	S	S	.	.			trans	-69.4	144.5	173.2	-13.6	30.1	0	0	0	109.9	S3 A7 D8	S3-P5 VanDerWaalsContact O-CD 3.31Å; S3-P5 WeakPolarHBondContact O-CD 3.21Å; P5-A7 PolarHBondContact O-N 3.23Å; P5-D8 PolarHBondContact O-N 2.9Å
6	E	35	Very low	44.4	Very low	125 Å²	125	88.8 Å²	88.8	58%	0.584	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-55.4	-25.8	179.5	-61.9	179.9	119	0	0	113.2	D8 F9	E6-D8 VanDerWaalsContact C-N 3.26Å; E6-D8 PolarHBondContact O-N 2.93Å; E6-F9 PolarHBondContact O-N 3.09Å
7	A	38.1	Very low	45	Very low	68 Å²	68	92.9 Å²	92.9	56%	0.562	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-58.3	-29.1	176.6	0	0	0	0	0	114.5	P5 F9 Q10	P5-A7 PolarHBondContact O-N 3.23Å; A7-F9 VanDerWaalsContact C-N 3.32Å; A7-F9 PolarHBondContact O-N 2.97Å; A7-Q10 PolarHBondContact O-N 3.27Å
8	D	43.4	Very low	45.2	Very low	55 Å²	55	97.1 Å²	97.1	29%	0.294	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-78.3	-12.1	-174.6	-77.3	-34.8	0	0	0	114	P5 E6 Q10 K16	P5-D8 PolarHBondContact O-N 2.9Å; E6-D8 VanDerWaalsContact C-N 3.26Å; E6-D8 PolarHBondContact O-N 2.93Å; D8-Q10 VanDerWaalsContact C-N 3.3Å; D8-Q10 PolarHBondContact O-N 2.92Å; D8-K16 IonicContact OD1-NZ 3.65Å; D8-K16 PolarHBondContact OD1-NZ 3.23Å; D8-K16 IonicContact OD2-NZ 3.29Å
9	F	45.9	Very low	45	Very low	56 Å²	56	97.4 Å²	97.4	25%	0.246	53%	0.532	C	S	.	.	G	3₁₀ helix	trans	-82.3	-3.3	172.9	-76.6	-78.7	0	0	0	114.4	E6 A7 L56 L110 L111 L114	E6-F9 PolarHBondContact O-N 3.09Å; A7-F9 VanDerWaalsContact C-N 3.32Å; A7-F9 PolarHBondContact O-N 2.97Å; F9-L56 WeakPolarHBondContact O-CD1 3.47Å; F9-L110 HydrophobicContact CE1-CD1 4.24Å; F9-L111 HydrophobicContact CB-CD2 4.24Å; F9-L111 HydrophobicContact CB-CG 4.45Å; F9-L114 HydrophobicContact CZ-CD1 4.47Å
10	Q	47.6	Very low	44.5	Very low	146 Å²	146	96.1 Å²	96.1	68%	0.682	54%	0.543	S	S	*	.	S	Bend	trans	-106.7	-12	176.6	-60.5	-169.1	10.6	0	0	113.9	A7 D8	A7-Q10 PolarHBondContact O-N 3.27Å; D8-Q10 VanDerWaalsContact C-N 3.3Å; D8-Q10 PolarHBondContact O-N 2.92Å
11	V	56.5	Low	43.9	Very low	67 Å²	67	96.6 Å²	96.6	41%	0.406	55%	0.553	S	S	.	*	S	Bend	trans	-127.7	127.4	-175	-174.8	0	0	0	0	110.2	P13 K16	V11-P13 WeakPolarHBondContact O-CD 3.47Å; V11-K16 HydrophobicContact CG1-CB 4.43Å; V11-K16 HydrophobicContact CG1-CG 4.46Å
12	C	58.8	Low	44	Very low	4 Å²	4	91.6 Å²	91.6	3%	0.027	54%	0.538	C	S	.	.			trans	-64.9	127.1	175.3	176.4	0	0	0	0	110.8	L14 C15 K16 L56 C66	C12-L14 VanDerWaalsContact C-N 3.32Å; C12-L14 PolarHBondContact O-N 3Å; C12-C15 HydrophobicContact CB-CB 4.11Å; C12-C15 WeakPolarHBondContact O-CB 3.43Å; C12-C15 PolarHBondContact O-N 3.29Å; C12-K16 PolarHBondContact O-N 3.03Å; C12-K16 VanDerWaalsContact O-N 3.15Å; C12-L56 HydrophobicContact CB-CD2 3.86Å; C12-C66 HydrophobicContact CB-CB 3.76Å; C12-C66 PolarHBondContact SG-N 3.49Å
13	P	65.1	Low	44.4	Very low	51 Å²	51	91.6 Å²	91.6	33%	0.331	54%	0.538	S	S	.	.	H	α-helix	trans	-53	-46	179.5	-28.9	35.6	0	0	0	113.2	V11 C15 K16 E17 A64	V11-P13 WeakPolarHBondContact O-CD 3.47Å; P13-C15 VanDerWaalsContact C-N 3.28Å; P13-C15 PolarHBondContact O-N 3.4Å; P13-K16 WeakPolarHBondContact O-CA 3.2Å; P13-K16 WeakPolarHBondContact O-CB 3.48Å; P13-K16 PolarHBondContact O-N 3.42Å; P13-E17 PolarHBondContact O-N 3.05Å; P13-A64 WeakPolarHBondContact CD-O 3.4Å
14	L	65.8	Low	44.7	Very low	34 Å²	34	92.5 Å²	92.5	18%	0.178	54%	0.542	C	S	.	.	H	α-helix	trans	-65	-24.3	177.7	-67.1	176.5	0	0	0	114.3	C12 F65 C69 P87	C12-L14 VanDerWaalsContact C-N 3.32Å; C12-L14 PolarHBondContact O-N 3Å; L14-F65 HydrophobicContact CD1-CD1 4.1Å; L14-F65 HydrophobicContact CD1-CE1 4.35Å; L14-F65 HydrophobicContact CG-CD1 4.17Å; L14-F65 HydrophobicContact CG-CE1 4.27Å; L14-C69 HydrophobicContact CB-CB 3.95Å; L14-C69 HydrophobicContact CD1-CB 3.84Å; L14-P87 HydrophobicContact CD1-CB 4.33Å; L14-P87 HydrophobicContact CD1-CG 3.85Å
15	C	61	Low	44.6	Very low	36 Å²	36	93.9 Å²	93.9	24%	0.243	56%	0.555	C	S	.	*	H	α-helix	trans	-76.5	-31.7	170.9	-66.1	0	0	0	0	111.6	C12 P13 E17 M18 C19 C66	C12-C15 HydrophobicContact CB-CB 4.11Å; C12-C15 WeakPolarHBondContact O-CB 3.43Å; C12-C15 PolarHBondContact O-N 3.29Å; P13-C15 VanDerWaalsContact C-N 3.28Å; P13-C15 PolarHBondContact O-N 3.4Å; C15-E17 VanDerWaalsContact C-N 3.26Å; C15-E17 PolarHBondContact O-N 2.83Å; C15-M18 PolarHBondContact O-N 3.43Å; C15-C19 PolarHBondContact O-N 2.87Å; C15-C19 VanDerWaalsContact O-N 3.13Å; C15-C66 VanDerWaalsContact SG-SG 3.65Å
16	K	59.4	Low	44.3	Very low	120 Å²	120	95.4 Å²	95.4	52%	0.522	57%	0.567	S	S	.	*	H	α-helix	trans	-66.4	-29	179.8	-149.1	178.1	-176.8	-176	0	111.7	D8 V11 C12 P13	D8-K16 IonicContact OD1-NZ 3.65Å; D8-K16 PolarHBondContact OD1-NZ 3.23Å; D8-K16 IonicContact OD2-NZ 3.29Å; V11-K16 HydrophobicContact CG1-CB 4.43Å; V11-K16 HydrophobicContact CG1-CG 4.46Å; C12-K16 PolarHBondContact O-N 3.03Å; C12-K16 VanDerWaalsContact O-N 3.15Å; P13-K16 WeakPolarHBondContact O-CA 3.2Å; P13-K16 WeakPolarHBondContact O-CB 3.48Å; P13-K16 PolarHBondContact O-N 3.42Å
17	E	54.5	Low	44	Very low	158 Å²	158	94.7 Å²	94.7	74%	0.738	58%	0.576	S	S	*	*	H	α-helix	trans	-82.2	-30.7	173.1	-64.6	-172.6	140.3	0	0	113.6	P13 C15	P13-E17 PolarHBondContact O-N 3.05Å; C15-E17 VanDerWaalsContact C-N 3.26Å; C15-E17 PolarHBondContact O-N 2.83Å
18	M	48.4	Very low	43.4	Very low	168 Å²	168	98.9 Å²	98.9	83%	0.828	59%	0.589	S	S	*	*	H	α-helix	trans	-80.6	-24	179.5	-69.6	-154.9	77.9	0	0	114.4	C15	C15-M18 PolarHBondContact O-N 3.43Å
19	C	41.7	Very low	42.7	Very low	103 Å²	103	101.4 Å²	101.4	70%	0.696	61%	0.611	S	S	*	*	S	Bend	trans	-101.7	92.1	172.9	-73.4	0	0	0	0	110.3	C15	C15-C19 PolarHBondContact O-N 2.87Å; C15-C19 VanDerWaalsContact O-N 3.13Å
20	G	35	Very low	41.8	Very low	72 Å²	72	103.4 Å²	103.4	74%	0.742	63%	0.632	S	S	*	*			trans	-55.7	147.8	-177	0	0	0	0	0	114.9
21	S	32.3	Very low	40.7	Very low	107 Å²	107	102.6 Å²	102.6	75%	0.748	64%	0.637	S	S	*	*			trans	-55.5	149.3	-170.9	-46.6	0	0	0	0	115.3	A23	S21-A23 PolarHBondContact O-N 3.35Å
22	P	29.2	Very low	39.3	Very low	134 Å²	134	104.3 Å²	104.3	87%	0.87	65%	0.652	S	S	*	*			trans	-68	104.2	165.1	29.4	-33	0	0	0	110.2
23	A	30	Very low	37.9	Very low	85 Å²	85	109.4 Å²	109.4	70%	0.702	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-71.1	152.1	172	0	0	0	0	0	111.3	S21	S21-A23 PolarHBondContact O-N 3.35Å
24	P	30.5	Very low	36.2	Very low	126 Å²	126	111.5 Å²	111.5	82%	0.818	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-76.2	146.3	-167.3	30.3	-36.1	0	0	0	113.8
25	L	25.9	Very low	34.6	Very low	184 Å²	184	114.8 Å²	114.8	96%	0.963	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-93.6	119.4	169.6	-80	167.6	0	0	0	110.8
26	S	27.5	Very low	33.2	Very low	104 Å²	104	117.3 Å²	117.3	73%	0.727	75%	0.748	S	S	*	*			trans	-125.7	121.9	164.3	54.9	0	0	0	0	111.2
27	S	28.1	Very low	31.8	Very low	111 Å²	111	120 Å²	120	78%	0.776	76%	0.762	S	S	*	*			trans	49.3	115.1	161	55.9	0	0	0	0	119.8
28	N	26	Very low	30.6	Very low	156 Å²	156	118.5 Å²	118.5	83%	0.834	76%	0.764	S	S	*	*			trans	-25.8	142.8	160.2	-52.6	-20.1	0	0	0	115.1
29	S	27.2	Very low	29.7	Very low	108 Å²	108	116.1 Å²	116.1	76%	0.755	76%	0.764	S	S	*	*				-178.9	139	77.1	39.4	0	0	0	0	115.7
30	S	27.1	Very low	29	Very low	97 Å²	97	115 Å²	115	68%	0.678	77%	0.769	S	S	*	*			trans	46.3	123.9	144.4	57.8	0	0	0	0	125
31	T	25.7	Very low	28.6	Very low	129 Å²	129	117.5 Å²	117.5	79%	0.791	78%	0.775	S	S	*	*				90.2	144.8	128.3	48.7	0	0	0	0	124.3
32	S	26.7	Very low	28.5	Very low	103 Å²	103	118.1 Å²	118.1	72%	0.72	78%	0.78	S	S	*	*			trans	64.7	118.3	168.3	32.5	0	0	0	0	117.7
33	S	29.5	Very low	28.3	Very low	111 Å²	111	115.5 Å²	115.5	78%	0.776	78%	0.777	S	S	*	*			cis	79.2	132.3	48.5	78.3	0	0	0	0	113.4
34	S	29.3	Very low	28.1	Very low	96 Å²	96	115.3 Å²	115.3	67%	0.671	78%	0.784	S	S	*	*			cis	-167.4	174.9	3.8	48.8	0	0	0	0	112.1
35	S	31.1	Very low	28	Very low	103 Å²	103	113.3 Å²	113.3	72%	0.72	79%	0.786	S	S	*	*			trans	66.3	143.9	147.9	44	0	0	0	0	120.1
36	S	32.6	Very low	28.1	Very low	89 Å²	89	108.6 Å²	108.6	62%	0.622	78%	0.782	S	S	*	*			cis	-175.5	144.3	-9.3	46.6	0	0	0	0	113
37	Q	30.8	Very low	28.3	Very low	176 Å²	176	109.4 Å²	109.4	82%	0.822	79%	0.787	S	S	*	*			trans	66.6	153.8	146.3	-67.9	173.1	13.4	0	0	117.6
38	T	28.6	Very low	28.6	Very low	127 Å²	127	109.5 Å²	109.5	78%	0.779	79%	0.788	S	S	*	*			cis	-160.3	165.9	-2.7	7.5	0	0	0	0	107.7
39	S	28.6	Very low	28.9	Very low	118 Å²	118	106.8 Å²	106.8	83%	0.825	78%	0.78	S	S	*	*			cis	-157.6	175.8	-2.7	62.2	0	0	0	0	109.3
40	G	26.8	Very low	29	Very low	79 Å²	79	104.4 Å²	104.4	81%	0.814	77%	0.773	S	S	*	*			trans	159.4	103.4	166.9	0	0	0	0	0	114.1
41	S	28.3	Very low	29.6	Very low	124 Å²	124	104.3 Å²	104.3	87%	0.867	79%	0.787	S	S	*	*			trans	-105.9	159.2	170.7	61	0	0	0	0	109.2
42	S	28.4	Very low	30	Very low	120 Å²	120	102.1 Å²	102.1	84%	0.839	78%	0.782	S	S	*	*			cis	-144.9	169.9	-2.7	52.9	0	0	0	0	108.4
43	G	25.2	Very low	30.8	Very low	79 Å²	79	102.5 Å²	102.5	81%	0.814	79%	0.791	S	S	*	*			cis	138.8	123.6	-2.5	0	0	0	0	0	111
44	G	27.1	Very low	32.1	Very low	82 Å²	82	102.1 Å²	102.1	85%	0.845	77%	0.773	S	S	*	*			trans	-143.4	142.2	-176	0	0	0	0	0	112
45	G	27.8	Very low	33.5	Very low	84 Å²	84	104.1 Å²	104.1	87%	0.866	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-75.3	133	-169.1	0	0	0	0	0	114.1
46	G	27.6	Very low	35.4	Very low	85 Å²	85	99.3 Å²	99.3	88%	0.876	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-74.6	135.5	165.5	0	0	0	0	0	111
47	S	31.4	Very low	37.3	Very low	120 Å²	120	95.2 Å²	95.2	84%	0.839	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-103.4	124.1	167.1	-169.6	0	0	0	0	109.4
48	S	34.3	Very low	39.3	Very low	113 Å²	113	87.3 Å²	87.3	79%	0.79	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-65.5	131.6	174.5	177.2	0	0	0	0	110.5
49	C	33.6	Very low	41.4	Very low	99 Å²	99	81.4 Å²	81.4	67%	0.669	63%	0.63	S	S	*	*			trans	-108.7	77.8	165.4	64.1	0	0	0	0	110.5
50	G	29.5	Very low	43.4	Very low	59 Å²	59	80 Å²	80	61%	0.608	62%	0.618	S	S	*	*			trans	-62	176.1	167.4	0	0	0	0	0	113.1	A52	G50-A52 PolarHBondContact O-N 3.1Å
51	G	37.8	Very low	45.5	Very low	94 Å²	94	77 Å²	77	97%	0.969	59%	0.585	S	S	*	*			trans	-59.7	118.5	-167.2	0	0	0	0	0	115.4
52	A	34.2	Very low	47.6	Very low	83 Å²	83	77.7 Å²	77.7	69%	0.686	58%	0.578	S	S	*	*			trans	-144.4	137.2	157	0	0	0	0	0	108.1	G50 R54	G50-A52 PolarHBondContact O-N 3.1Å; A52-R54 PolarHBondContact O-N 3.36Å
53	A	45.3	Very low	49.8	Very low	111 Å²	111	74.6 Å²	74.6	92%	0.917	55%	0.55	S	S	*	*			trans	-66.1	103.8	-179	0	0	0	0	0	110.3	R55	A53-R55 PolarHBondContact O-N 2.96Å
54	R	55.8	Low	52.2	Low	104 Å²	104	71.5 Å²	71.5	39%	0.392	52%	0.517	S	S	.	.			trans	-73	110.5	-178	-69.8	-176	175.4	-150.2	-2.7	109.9	A52 L56 C66	A52-R54 PolarHBondContact O-N 3.36Å; R54-L56 PolarHBondContact O-N 3.31Å; R54-C66 HydrophobicContact CB-CB 4.46Å
55	R	59.8	Low	54.6	Low	138 Å²	138	67.7 Å²	67.7	52%	0.521	48%	0.477	S	S	.	.			trans	-48.4	113.3	171.4	-165.7	176.8	-169.8	-157.4	-3.3	109.5	A53 S106	A53-R55 PolarHBondContact O-N 2.96Å; R55-S106 PolarHBondContact NE-OG 2.86Å; R55-S106 PolarHBondContact NH2-OG 3.2Å
56	L	70.4	Confident	56.9	Low	1 Å²	1	63.8 Å²	63.8	1%	0.005	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	147	171.8	-49.9	-177	0	0	0	108.4	F9 C12 R54 A64 F65 C66 S106 S107	F9-L56 WeakPolarHBondContact O-CD1 3.47Å; C12-L56 HydrophobicContact CB-CD2 3.86Å; R54-L56 PolarHBondContact O-N 3.31Å; L56-A64 HydrophobicContact CB-CB 4.35Å; L56-A64 HydrophobicContact CD1-CB 4.42Å; L56-F65 CarbonylContact C-O 3.6Å; L56-F65 WeakPolarHBondContact CA-O 3.34Å; L56-C66 HydrophobicContact CD2-CB 3.74Å; L56-S106 CarbonylContact O-C 3.56Å; L56-S106 WeakPolarHBondContact O-CA 3.24Å; L56-S106 WeakPolarHBondContact O-CB 3.46Å; L56-S107 PolarHBondContact N-OG 2.74Å; L56-S107 PolarHBondContact O-N 2.75Å
57	H	71.3	Confident	59	Low	4 Å²	4	64.1 Å²	64.1	2%	0.019	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.9	173.4	-62.2	-101.7	0	0	0	108.8	A64 F65 L70 M101 D102 L104	H57-A64 WeakPolarHBondContact O-CA 3.48Å; H57-F65 PolarHBondContact N-O 3.23Å; H57-F65 PolarHBondContact O-N 3.49Å; H57-L70 HydrophobicContact CB-CD1 4.04Å; H57-M101 PolarHBondContact CE1-O 3.34Å; H57-M101 PolarHBondContact ND1-O 2.89Å; H57-D102 IonicContact CE1-OD1 3.74Å; H57-L104 HydrophobicContact CB-CB 3.87Å; H57-L104 HydrophobicContact CB-CD1 4.33Å; H57-L104 PolarHBondContact ND1-O 3.15Å
58	V	74.2	Confident	60.8	Low	9 Å²	9	64 Å²	64	6%	0.055	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.8	-177.9	-173	0	0	0	0	108.4	A64 P105 L110	V58-A64 HydrophobicContact CG2-CB 4.17Å; V58-P105 HydrophobicContact CB-CG 4.4Å; V58-P105 WeakPolarHBondContact CB-O 3.32Å; V58-P105 WeakPolarHBondContact CG2-O 3.44Å; V58-P105 PolarHBondContact N-O 3.33Å; V58-L110 HydrophobicContact CG1-CD1 4.19Å; V58-L110 HydrophobicContact CG2-CD1 3.65Å; V58-L110 HydrophobicContact CG2-CG 4.32Å
59	L	72.8	Confident	62.7	Low	3 Å²	3	59.4 Å²	59.4	2%	0.016	37%	0.366	C	S	.	.			trans	-80.7	159.3	174	-61	-177	0	0	0	110.4	C61 L62 H63 F65 L70 L84 C86 V93 L104	L59-C61 VanDerWaalsContact CB-SG 3.54Å; L59-C61 PolarHBondContact O-N 2.95Å; L59-L62 WeakPolarHBondContact O-CA 3.28Å; L59-L62 PolarHBondContact O-N 3.38Å; L59-H63 PolarHBondContact N-O 3.09Å; L59-F65 HydrophobicContact CD1-CD2 4Å; L59-F65 HydrophobicContact CD1-CE2 3.86Å; L59-F65 HydrophobicContact CG-CD2 4.31Å; L59-F65 HydrophobicContact CG-CE2 4.49Å; L59-L70 HydrophobicContact CD1-CD2 4.26Å; L59-L70 HydrophobicContact CD2-CD1 4.42Å; L59-L70 HydrophobicContact CD2-CD2 4.26Å; L59-L84 HydrophobicContact CD1-CD2 3.92Å; L59-L84 HydrophobicContact CD2-CD2 3.97Å; L59-C86 HydrophobicContact CD1-CB 3.79Å; L59-V93 HydrophobicContact CB-CG2 4.38Å; L59-V93 HydrophobicContact CD1-CG2 4.48Å; L59-V93 HydrophobicContact CD2-CG2 4.39Å; L59-L104 HydrophobicContact CD2-CD1 3.87Å; L59-L104 HydrophobicContact CD2-CD2 4.38Å
60	P	70.4	Confident	64.5	Low	89 Å²	89	54.8 Å²	54.8	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.8	174.8	-28.2	36.2	0	0	0	115.2	L62 V93	P60-L62 PolarHBondContact O-N 3.43Å; P60-V93 HydrophobicContact CG-CG1 4.1Å
61	C	71.1	Confident	66.4	Low	17 Å²	17	55.2 Å²	55.2	12%	0.115	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	16.8	171.3	63.7	0	0	0	0	114.2	L59 H63 C86 Q91	L59-C61 VanDerWaalsContact CB-SG 3.54Å; L59-C61 PolarHBondContact O-N 2.95Å; C61-H63 PolarHBondContact O-N 3.48Å; C61-H63 PolarHBondContact O-ND1 2.85Å; C61-H63 PolarHBondContact SG-ND1 3.19Å; C61-H63 VanDerWaalsContact SG-ND1 3.45Å; C61-C86 VanDerWaalsContact SG-CB 3.58Å; C61-C86 PolarHBondContact SG-SG 2.79Å; C61-Q91 HydrophobicContact CB-CB 4.28Å
62	L	71.8	Confident	67.8	Low	137 Å²	137	54.6 Å²	54.6	72%	0.717	31%	0.306	S	S	*	.	S	Bend	trans	60.9	-9.3	-178.2	-54.6	179.2	0	0	0	117.3	L59 P60	L59-L62 WeakPolarHBondContact O-CA 3.28Å; L59-L62 PolarHBondContact O-N 3.38Å; P60-L62 PolarHBondContact O-N 3.43Å
63	H	73.8	Confident	69.4	Low	56 Å²	56	55.1 Å²	55.1	26%	0.259	29%	0.294	S	S	.	.			trans	-67	138.1	170.6	-60.8	100.6	0	0	0	112.3	L59 C61 F65 I88	L59-H63 PolarHBondContact N-O 3.09Å; C61-H63 PolarHBondContact O-N 3.48Å; C61-H63 PolarHBondContact O-ND1 2.85Å; C61-H63 PolarHBondContact SG-ND1 3.19Å; C61-H63 VanDerWaalsContact SG-ND1 3.45Å; H63-F65 HydrophobicContact CB-CE2 3.6Å; H63-F65 HydrophobicContact CB-CZ 4Å; H63-I88 HydrophobicContact CB-CD1 4.48Å; H63-I88 WeakPolarHBondContact NE2-CG2 3.38Å
64	A	75.9	Confident	70.2	Confident	14 Å²	14	54.7 Å²	54.7	12%	0.116	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.9	-176.7	0	0	0	0	0	112.9	P13 L56 H57 V58	P13-A64 WeakPolarHBondContact CD-O 3.4Å; L56-A64 HydrophobicContact CB-CB 4.35Å; L56-A64 HydrophobicContact CD1-CB 4.42Å; H57-A64 WeakPolarHBondContact O-CA 3.48Å; V58-A64 HydrophobicContact CG2-CB 4.17Å
65	F	77.6	Confident	70.2	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	154.9	-177.7	-56.1	-87.2	0	0	0	111.1	L14 L56 H57 L59 H63 L70 P87 I88	L14-F65 HydrophobicContact CD1-CD1 4.1Å; L14-F65 HydrophobicContact CD1-CE1 4.35Å; L14-F65 HydrophobicContact CG-CD1 4.17Å; L14-F65 HydrophobicContact CG-CE1 4.27Å; L56-F65 CarbonylContact C-O 3.6Å; L56-F65 WeakPolarHBondContact CA-O 3.34Å; H57-F65 PolarHBondContact N-O 3.23Å; H57-F65 PolarHBondContact O-N 3.49Å; L59-F65 HydrophobicContact CD1-CD2 4Å; L59-F65 HydrophobicContact CD1-CE2 3.86Å; L59-F65 HydrophobicContact CG-CD2 4.31Å; L59-F65 HydrophobicContact CG-CE2 4.49Å; H63-F65 HydrophobicContact CB-CE2 3.6Å; H63-F65 HydrophobicContact CB-CZ 4Å; F65-L70 HydrophobicContact CB-CD1 4.19Å; F65-L70 HydrophobicContact CB-CD2 3.86Å; F65-L70 HydrophobicContact CB-CG 3.82Å; F65-L70 HydrophobicContact CD2-CD2 3.94Å; F65-L70 HydrophobicContact CG-CD2 4.1Å; F65-P87 HydrophobicContact CE1-CB 4.26Å; F65-P87 HydrophobicContact CE1-CG 4.03Å; F65-P87 HydrophobicContact CZ-CB 4.24Å; F65-P87 HydrophobicContact CZ-CG 4.01Å; F65-I88 HydrophobicContact CE1-CD1 4Å; F65-I88 HydrophobicContact CE1-CG1 4.35Å; F65-I88 HydrophobicContact CZ-CD1 3.67Å; F65-I88 HydrophobicContact CZ-CG1 3.95Å
66	C	76.8	Confident	69.6	Low	3 Å²	3	57.6 Å²	57.6	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	150.9	171.8	85.3	0	0	0	0	110.9	C12 C15 R54 L56 Q68 C69 L70	C12-C66 HydrophobicContact CB-CB 3.76Å; C12-C66 PolarHBondContact SG-N 3.49Å; C15-C66 VanDerWaalsContact SG-SG 3.65Å; R54-C66 HydrophobicContact CB-CB 4.46Å; L56-C66 HydrophobicContact CD2-CB 3.74Å; C66-Q68 VanDerWaalsContact C-N 3.33Å; C66-Q68 PolarHBondContact O-N 3.06Å; C66-C69 PolarHBondContact O-N 3.33Å; C66-C69 VanDerWaalsContact SG-SG 3.61Å; C66-L70 PolarHBondContact O-N 2.86Å
67	R	71.3	Confident	68.5	Low	91 Å²	91	62.3 Å²	62.3	34%	0.343	34%	0.344	S	S	.	.	H	α-helix	trans	-48.9	-48.1	-177	-177.3	174.9	172.4	145.9	5.1	113.8	C69 L70 E71 D102	R67-C69 VanDerWaalsContact C-N 3.26Å; R67-C69 PolarHBondContact O-N 3.45Å; R67-L70 PolarHBondContact O-N 3.15Å; R67-E71 HydrophobicContact CG-CG 4.2Å; R67-E71 IonicContact CZ-OE1 2.62Å; R67-E71 IonicContact NE-OE1 3.31Å; R67-E71 PolarHBondContact NE-OE1 3.43Å; R67-E71 IonicContact NE-OE2 3.57Å; R67-E71 IonicContact NH2-OE1 3.89Å; R67-E71 PolarHBondContact NH2-OE1 3.44Å; R67-E71 VanDerWaalsContact NH2-OE1 3.11Å; R67-E71 WeakPolarHBondContact O-CG 3.41Å; R67-E71 PolarHBondContact O-N 3.39Å; R67-D102 IonicContact CZ-OD2 3.69Å; R67-D102 IonicContact NH1-OD1 2.71Å; R67-D102 PolarHBondContact NH1-OD1 2.92Å; R67-D102 IonicContact NH1-OD2 3.96Å; R67-D102 PolarHBondContact NH1-OD2 3.14Å
68	Q	69.8	Low	67.3	Low	117 Å²	117	65.6 Å²	65.6	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-59.2	-35	-179.4	-70.3	-178.3	-14.2	0	0	113.1	C66 A72	C66-Q68 VanDerWaalsContact C-N 3.33Å; C66-Q68 PolarHBondContact O-N 3.06Å; Q68-A72 VanDerWaalsContact O-CB 3.32Å; Q68-A72 WeakPolarHBondContact O-CB 3.46Å; Q68-A72 PolarHBondContact O-N 2.91Å
69	C	72.8	Confident	66.1	Low	18 Å²	18	69.5 Å²	69.5	12%	0.122	41%	0.413	C	S	.	.	H	α-helix	trans	-76.7	-29.2	177.9	-62.1	0	0	0	0	112.6	L14 C66 R67 Q73	L14-C69 HydrophobicContact CB-CB 3.95Å; L14-C69 HydrophobicContact CD1-CB 3.84Å; C66-C69 PolarHBondContact O-N 3.33Å; C66-C69 VanDerWaalsContact SG-SG 3.61Å; R67-C69 VanDerWaalsContact C-N 3.26Å; R67-C69 PolarHBondContact O-N 3.45Å; C69-Q73 VanDerWaalsContact O-CG 3.24Å; C69-Q73 WeakPolarHBondContact O-CG 3.43Å; C69-Q73 PolarHBondContact O-N 2.79Å
70	L	71.5	Confident	65.2	Low	1 Å²	1	73.7 Å²	73.7	1%	0.005	44%	0.436	C	S	.	.	H	α-helix	trans	-74.3	-38	171.7	-66.2	172.8	0	0	0	111.3	H57 L59 F65 C66 R67 Q73 L84 M101 L104	H57-L70 HydrophobicContact CB-CD1 4.04Å; L59-L70 HydrophobicContact CD1-CD2 4.26Å; L59-L70 HydrophobicContact CD2-CD1 4.42Å; L59-L70 HydrophobicContact CD2-CD2 4.26Å; F65-L70 HydrophobicContact CB-CD1 4.19Å; F65-L70 HydrophobicContact CB-CD2 3.86Å; F65-L70 HydrophobicContact CB-CG 3.82Å; F65-L70 HydrophobicContact CD2-CD2 3.94Å; F65-L70 HydrophobicContact CG-CD2 4.1Å; C66-L70 PolarHBondContact O-N 2.86Å; R67-L70 PolarHBondContact O-N 3.15Å; L70-Q73 PolarHBondContact O-N 3Å; L70-L84 HydrophobicContact CB-CD1 3.97Å; L70-L84 HydrophobicContact CD2-CD1 4.02Å; L70-L84 HydrophobicContact CD2-CD2 4.11Å; L70-M101 HydrophobicContact CB-CE 4.12Å; L70-M101 HydrophobicContact CB-SD 3.66Å; L70-L104 HydrophobicContact CD1-CD1 4.4Å
71	E	69.9	Low	64.3	Low	68 Å²	68	71.9 Å²	71.9	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-39.4	174.5	-71.5	173.1	154.2	0	0	111.5	R67 Q73 R74 M101	R67-E71 HydrophobicContact CG-CG 4.2Å; R67-E71 IonicContact CZ-OE1 2.62Å; R67-E71 IonicContact NE-OE1 3.31Å; R67-E71 PolarHBondContact NE-OE1 3.43Å; R67-E71 IonicContact NE-OE2 3.57Å; R67-E71 IonicContact NH2-OE1 3.89Å; R67-E71 PolarHBondContact NH2-OE1 3.44Å; R67-E71 VanDerWaalsContact NH2-OE1 3.11Å; R67-E71 WeakPolarHBondContact O-CG 3.41Å; R67-E71 PolarHBondContact O-N 3.39Å; E71-Q73 PolarHBondContact O-N 3.1Å; E71-R74 WeakPolarHBondContact O-CB 3.36Å; E71-R74 PolarHBondContact O-N 2.87Å; E71-R74 VanDerWaalsContact O-N 3.14Å; E71-M101 HydrophobicContact CB-CE 4.48Å; E71-M101 HydrophobicContact CG-CE 3.77Å; E71-M101 HydrophobicContact CG-SD 3.63Å
72	A	67.4	Low	63.7	Low	82 Å²	82	74.2 Å²	74.2	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-65.3	-20.6	174.7	0	0	0	0	0	114.3	Q68 R74	Q68-A72 VanDerWaalsContact O-CB 3.32Å; Q68-A72 WeakPolarHBondContact O-CB 3.46Å; Q68-A72 PolarHBondContact O-N 2.91Å; A72-R74 VanDerWaalsContact C-N 3.33Å
73	Q	67	Low	63.3	Low	93 Å²	93	73.4 Å²	73.4	44%	0.435	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1	176	-67.5	-74.1	-16.3	0	0	113.1	C69 L70 E71 H75 P87	C69-Q73 VanDerWaalsContact O-CG 3.24Å; C69-Q73 WeakPolarHBondContact O-CG 3.43Å; C69-Q73 PolarHBondContact O-N 2.79Å; L70-Q73 PolarHBondContact O-N 3Å; E71-Q73 PolarHBondContact O-N 3.1Å; Q73-H75 PolarHBondContact O-N 3.26Å; Q73-P87 HydrophobicContact CG-CG 4.39Å
74	R	63.5	Low	63.3	Low	103 Å²	103	71.2 Å²	71.2	39%	0.389	42%	0.42	S	S	.	.			trans	-80.9	107	167.3	-77.7	174.4	149.7	171.9	-9.1	110.2	E71 A72 P76 A81 M101	E71-R74 WeakPolarHBondContact O-CB 3.36Å; E71-R74 PolarHBondContact O-N 2.87Å; E71-R74 VanDerWaalsContact O-N 3.14Å; A72-R74 VanDerWaalsContact C-N 3.33Å; R74-P76 WeakPolarHBondContact O-CD 3.16Å; R74-A81 PolarHBondContact NH2-O 3.45Å; R74-M101 HydrophobicContact CG-CE 4.45Å
75	H	54.8	Low	63.2	Low	165 Å²	165	76.4 Å²	76.4	76%	0.764	44%	0.437	S	S	*	.			trans	-66.7	125.5	167.8	-80.2	-79.3	0	0	0	111.1	Q73 A77	Q73-H75 PolarHBondContact O-N 3.26Å; H75-A77 PolarHBondContact O-N 3.15Å
76	P	48	Very low	63.1	Low	137 Å²	137	76.5 Å²	76.5	89%	0.89	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	4.6	-179	-21.7	34.4	0	0	0	116.3	R74	R74-P76 WeakPolarHBondContact O-CD 3.16Å
77	A	46.8	Very low	63	Low	100 Å²	100	78.9 Å²	78.9	83%	0.826	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	1.9	-160	0	0	0	0	0	115.6	H75	H75-A77 PolarHBondContact O-N 3.15Å
78	A	45.3	Very low	63.1	Low	74 Å²	74	79.4 Å²	79.4	61%	0.612	46%	0.461	S	S	*	.	S	Bend	trans	-147.1	143.1	175.5	0	0	0	0	0	110.6	D80	A78-D80 PolarHBondContact O-N 3.4Å
79	G	49.5	Very low	63.4	Low	90 Å²	90	76.7 Å²	76.7	93%	0.928	46%	0.455	S	S	*	.	S	Bend	trans	-70.1	13.5	-173.1	0	0	0	0	0	116.9	A81	G79-A81 PolarHBondContact O-N 3.01Å
80	D	53.3	Low	63.6	Low	92 Å²	92	80.3 Å²	80.3	49%	0.492	47%	0.473	S	S	.	.			trans	-86.2	78.4	177.7	-91.1	-42.4	0	0	0	110.8	A78 L82 K83	A78-D80 PolarHBondContact O-N 3.4Å; D80-L82 PolarHBondContact O-N 2.97Å; D80-K83 HydrophobicContact CB-CD 4.03Å; D80-K83 IonicContact OD1-NZ 2.66Å; D80-K83 PolarHBondContact OD1-NZ 3.21Å; D80-K83 IonicContact OD2-NZ 2.85Å; D80-K83 PolarHBondContact OD2-NZ 2.98Å
81	A	52.6	Low	63.9	Low	51 Å²	51	84.9 Å²	84.9	42%	0.421	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.3	179.7	0	0	0	0	0	114.6	R74 G79	R74-A81 PolarHBondContact NH2-O 3.45Å; G79-A81 PolarHBondContact O-N 3.01Å
82	L	58.4	Low	64.2	Low	66 Å²	66	89 Å²	89	35%	0.346	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	4.8	-161.9	-52.4	-179.6	0	0	0	114.9	D80 V94 I95 E97	D80-L82 PolarHBondContact O-N 2.97Å; L82-V94 WeakPolarHBondContact O-CA 3.38Å; L82-I95 PolarHBondContact O-N 3.37Å; L82-E97 HydrophobicContact CD2-CG 3.6Å
83	K	63.9	Low	64.5	Low	119 Å²	119	85.5 Å²	85.5	52%	0.517	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.1	-172.6	-64.8	168.9	-173.9	151	0	111.7	D80	D80-K83 HydrophobicContact CB-CD 4.03Å; D80-K83 IonicContact OD1-NZ 2.66Å; D80-K83 PolarHBondContact OD1-NZ 3.21Å; D80-K83 IonicContact OD2-NZ 2.85Å; D80-K83 PolarHBondContact OD2-NZ 2.98Å
84	L	73	Confident	64.6	Low	10 Å²	10	86.2 Å²	86.2	5%	0.052	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.8	176.8	-177.4	138.2	0	0	0	109.8	L59 L70 K92 V93 M101	L59-L84 HydrophobicContact CD1-CD2 3.92Å; L59-L84 HydrophobicContact CD2-CD2 3.97Å; L70-L84 HydrophobicContact CB-CD1 3.97Å; L70-L84 HydrophobicContact CD2-CD1 4.02Å; L70-L84 HydrophobicContact CD2-CD2 4.11Å; L84-K92 CarbonylContact O-C 3.31Å; L84-K92 WeakPolarHBondContact O-CA 3.33Å; L84-V93 HydrophobicContact CD2-CB 4.41Å; L84-V93 PolarHBondContact N-O 2.97Å; L84-V93 PolarHBondContact O-N 3.26Å; L84-M101 HydrophobicContact CD1-CE 4.08Å
85	R	74.5	Confident	64.8	Low	124 Å²	124	81.9 Å²	81.9	47%	0.468	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.2	171.5	-73.2	165.5	172.5	-91.6	21.7	109.2	P87 D90 Q91 K92	R85-P87 WeakPolarHBondContact O-CD 3.39Å; R85-D90 VanDerWaalsContact CD-OD1 3.3Å; R85-D90 WeakPolarHBondContact CD-OD1 3.39Å; R85-D90 IonicContact CZ-OD1 3.28Å; R85-D90 IonicContact CZ-OD2 3.64Å; R85-D90 IonicContact NE-OD1 3.7Å; R85-D90 IonicContact NH1-OD1 2.91Å; R85-D90 PolarHBondContact NH1-OD1 3.37Å; R85-D90 IonicContact NH1-OD2 3.31Å; R85-D90 PolarHBondContact NH1-OD2 2.87Å; R85-Q91 WeakPolarHBondContact CA-O 3.36Å; R85-K92 HydrophobicContact CG-CG 4.23Å
86	C	75.4	Confident	64.7	Low	2 Å²	2	78.3 Å²	78.3	1%	0.014	47%	0.47	C	S	.	.			trans	-72.3	124.3	172.9	178.6	0	0	0	0	110.8	L59 C61 I88 C89 D90 Q91	L59-C86 HydrophobicContact CD1-CB 3.79Å; C61-C86 VanDerWaalsContact SG-CB 3.58Å; C61-C86 PolarHBondContact SG-SG 2.79Å; C86-I88 PolarHBondContact O-N 3.27Å; C86-I88 VanDerWaalsContact O-N 3.1Å; C86-C89 PolarHBondContact O-N 3.08Å; C86-D90 VanDerWaalsContact O-CA 3.26Å; C86-D90 WeakPolarHBondContact O-CA 3.38Å; C86-D90 PolarHBondContact O-N 3.41Å; C86-Q91 PolarHBondContact N-O 2.88Å
87	P	73.7	Confident	64.5	Low	54 Å²	54	78.7 Å²	78.7	35%	0.351	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.3	179.2	-27.3	34.6	0	0	0	116	L14 F65 Q73 R85	L14-P87 HydrophobicContact CD1-CB 4.33Å; L14-P87 HydrophobicContact CD1-CG 3.85Å; F65-P87 HydrophobicContact CE1-CB 4.26Å; F65-P87 HydrophobicContact CE1-CG 4.03Å; F65-P87 HydrophobicContact CZ-CB 4.24Å; F65-P87 HydrophobicContact CZ-CG 4.01Å; Q73-P87 HydrophobicContact CG-CG 4.39Å; R85-P87 WeakPolarHBondContact O-CD 3.39Å
88	I	74.4	Confident	64.5	Low	101 Å²	101	80.2 Å²	80.2	52%	0.518	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-29.5	-172.8	-63.2	169.2	0	0	0	112.6	H63 F65 C86	H63-I88 HydrophobicContact CB-CD1 4.48Å; H63-I88 WeakPolarHBondContact NE2-CG2 3.38Å; F65-I88 HydrophobicContact CE1-CD1 4Å; F65-I88 HydrophobicContact CE1-CG1 4.35Å; F65-I88 HydrophobicContact CZ-CD1 3.67Å; F65-I88 HydrophobicContact CZ-CG1 3.95Å; C86-I88 PolarHBondContact O-N 3.27Å; C86-I88 VanDerWaalsContact O-N 3.1Å
89	C	75.8	Confident	64.9	Low	60 Å²	60	80 Å²	80	41%	0.405	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	8.3	-174.7	62.9	0	0	0	0	114.8	C86 Q91	C86-C89 PolarHBondContact O-N 3.08Å; C89-Q91 PolarHBondContact O-N 3.16Å
90	D	76.8	Confident	65.5	Low	95 Å²	95	77 Å²	77	51%	0.508	42%	0.424	S	S	.	.			trans	54.1	8.2	-177.5	-161.5	33.1	0	0	0	116.1	R85 C86 K92	R85-D90 VanDerWaalsContact CD-OD1 3.3Å; R85-D90 WeakPolarHBondContact CD-OD1 3.39Å; R85-D90 IonicContact CZ-OD1 3.28Å; R85-D90 IonicContact CZ-OD2 3.64Å; R85-D90 IonicContact NE-OD1 3.7Å; R85-D90 IonicContact NH1-OD1 2.91Å; R85-D90 PolarHBondContact NH1-OD1 3.37Å; R85-D90 IonicContact NH1-OD2 3.31Å; R85-D90 PolarHBondContact NH1-OD2 2.87Å; C86-D90 VanDerWaalsContact O-CA 3.26Å; C86-D90 WeakPolarHBondContact O-CA 3.38Å; C86-D90 PolarHBondContact O-N 3.41Å; D90-K92 PolarHBondContact O-N 3.03Å
91	Q	77.2	Confident	65.8	Low	97 Å²	97	72.8 Å²	72.8	45%	0.453	40%	0.402	S	S	.	.			trans	-62.7	125.9	-178.5	-173.7	168.9	-7.5	0	0	110.5	C61 R85 C86 C89	C61-Q91 HydrophobicContact CB-CB 4.28Å; R85-Q91 WeakPolarHBondContact CA-O 3.36Å; C86-Q91 PolarHBondContact N-O 2.88Å; C89-Q91 PolarHBondContact O-N 3.16Å
92	K	77.6	Confident	66	Low	155 Å²	155	74.1 Å²	74.1	67%	0.674	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.2	178	-64.3	171.4	-174.5	169.4	0	109.9	L84 R85 D90	L84-K92 CarbonylContact O-C 3.31Å; L84-K92 WeakPolarHBondContact O-CA 3.33Å; R85-K92 HydrophobicContact CG-CG 4.23Å; D90-K92 PolarHBondContact O-N 3.03Å
93	V	72.4	Confident	66.1	Low	8 Å²	8	73.9 Å²	73.9	5%	0.048	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.9	178.4	-177.4	0	0	0	0	107.9	L59 P60 L84 I95	L59-V93 HydrophobicContact CB-CG2 4.38Å; L59-V93 HydrophobicContact CD1-CG2 4.48Å; L59-V93 HydrophobicContact CD2-CG2 4.39Å; P60-V93 HydrophobicContact CG-CG1 4.1Å; L84-V93 HydrophobicContact CD2-CB 4.41Å; L84-V93 PolarHBondContact N-O 2.97Å; L84-V93 PolarHBondContact O-N 3.26Å; V93-I95 HydrophobicContact CG1-CG1 4.48Å
94	V	70.3	Confident	66	Low	107 Å²	107	69 Å²	69	65%	0.648	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.3	173.9	-177.6	0	0	0	0	108.4	L82	L82-V94 WeakPolarHBondContact O-CA 3.38Å
95	I	66.9	Low	65.5	Low	12 Å²	12	71.9 Å²	71.9	6%	0.062	41%	0.408	C	S	.	.			trans	-119.3	132.9	-178.9	-57.9	177.9	0	0	0	108.5	L82 V93 G100 M101 L104	L82-I95 PolarHBondContact O-N 3.37Å; V93-I95 HydrophobicContact CG1-CG1 4.48Å; I95-G100 WeakPolarHBondContact CG2-O 3.41Å; I95-M101 HydrophobicContact CD1-CG 4.24Å; I95-L104 HydrophobicContact CD1-CD1 4.17Å
96	S	52.9	Low	64.8	Low	91 Å²	91	66.5 Å²	66.5	64%	0.636	39%	0.39	S	S	*	.			trans	-93	142.1	-180	-54.1	0	0	0	0	111.9
97	E	44.3	Very low	63.7	Low	144 Å²	144	66.7 Å²	66.7	67%	0.673	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	133.6	165.7	-50.9	-156.9	152.1	0	0	108.2	L82	L82-E97 HydrophobicContact CD2-CG 3.6Å
98	P	46.6	Very low	62.5	Low	132 Å²	132	69.4 Å²	69.4	86%	0.857	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	cis	-109.3	-12.6	46.1	-0.3	22.1	0	0	0	116.2
99	S	53	Low	61.1	Low	70 Å²	70	71 Å²	71	49%	0.49	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.6	-163.2	-48.7	0	0	0	0	115.4	D102	S99-D102 PolarHBondContact O-N 3.19Å
100	G	62.5	Low	59.8	Low	27 Å²	27	70.5 Å²	70.5	28%	0.278	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	55.3	-139.2	177.4	0	0	0	0	0	113.2	I95 D102 A103	I95-G100 WeakPolarHBondContact CG2-O 3.41Å; G100-D102 PolarHBondContact O-N 3.34Å; G100-A103 VanDerWaalsContact O-CB 3.28Å; G100-A103 WeakPolarHBondContact O-CB 3.47Å; G100-A103 PolarHBondContact O-N 3.08Å
101	M	58.8	Low	58.1	Low	4 Å²	4	68.1 Å²	68.1	2%	0.02	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-68.5	-16.8	-179.6	-63.1	-161.8	-177.7	0	0	113.8	H57 L70 E71 R74 L84 I95 A103 L104	H57-M101 PolarHBondContact CE1-O 3.34Å; H57-M101 PolarHBondContact ND1-O 2.89Å; L70-M101 HydrophobicContact CB-CE 4.12Å; L70-M101 HydrophobicContact CB-SD 3.66Å; E71-M101 HydrophobicContact CB-CE 4.48Å; E71-M101 HydrophobicContact CG-CE 3.77Å; E71-M101 HydrophobicContact CG-SD 3.63Å; R74-M101 HydrophobicContact CG-CE 4.45Å; L84-M101 HydrophobicContact CD1-CE 4.08Å; I95-M101 HydrophobicContact CD1-CG 4.24Å; M101-A103 PolarHBondContact O-N 3.38Å; M101-L104 WeakPolarHBondContact O-CB 3.46Å; M101-L104 PolarHBondContact O-N 2.96Å; M101-L104 VanDerWaalsContact O-N 3.1Å
102	D	57.8	Low	56.3	Low	78 Å²	78	66.5 Å²	66.5	42%	0.417	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-74.2	-8	175.8	-53.6	-60.9	0	0	0	112.6	H57 R67 S99 G100 L104	H57-D102 IonicContact CE1-OD1 3.74Å; R67-D102 IonicContact CZ-OD2 3.69Å; R67-D102 IonicContact NH1-OD1 2.71Å; R67-D102 PolarHBondContact NH1-OD1 2.92Å; R67-D102 IonicContact NH1-OD2 3.96Å; R67-D102 PolarHBondContact NH1-OD2 3.14Å; S99-D102 PolarHBondContact O-N 3.19Å; G100-D102 PolarHBondContact O-N 3.34Å; D102-L104 VanDerWaalsContact C-N 3.28Å
103	A	60.3	Low	54.6	Low	61 Å²	61	63.5 Å²	63.5	50%	0.504	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-71.4	-18	166	0	0	0	0	0	113.7	G100 M101	G100-A103 VanDerWaalsContact O-CB 3.28Å; G100-A103 WeakPolarHBondContact O-CB 3.47Å; G100-A103 PolarHBondContact O-N 3.08Å; M101-A103 PolarHBondContact O-N 3.38Å
104	L	62.4	Low	53.1	Low	16 Å²	16	66.5 Å²	66.5	8%	0.084	39%	0.392	C	S	.	.	S	Bend	trans	-82.1	129.2	179.5	-67.5	167.8	0	0	0	110.5	H57 L59 L70 I95 M101 D102	H57-L104 HydrophobicContact CB-CB 3.87Å; H57-L104 HydrophobicContact CB-CD1 4.33Å; H57-L104 PolarHBondContact ND1-O 3.15Å; L59-L104 HydrophobicContact CD2-CD1 3.87Å; L59-L104 HydrophobicContact CD2-CD2 4.38Å; L70-L104 HydrophobicContact CD1-CD1 4.4Å; I95-L104 HydrophobicContact CD1-CD1 4.17Å; M101-L104 WeakPolarHBondContact O-CB 3.46Å; M101-L104 PolarHBondContact O-N 2.96Å; M101-L104 VanDerWaalsContact O-N 3.1Å; D102-L104 VanDerWaalsContact C-N 3.28Å
105	P	62	Low	51.4	Low	72 Å²	72	66.1 Å²	66.1	47%	0.468	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-61.5	139.7	-176.3	24.5	-32.9	0	0	0	111.3	V58	V58-P105 HydrophobicContact CB-CG 4.4Å; V58-P105 WeakPolarHBondContact CB-O 3.32Å; V58-P105 WeakPolarHBondContact CG2-O 3.44Å; V58-P105 PolarHBondContact N-O 3.33Å
106	S	59.2	Low	49.9	Very low	11 Å²	11	70.1 Å²	70.1	8%	0.077	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-96	152.3	-171.7	57.5	0	0	0	0	114.2	R55 L56 N108 F109	R55-S106 PolarHBondContact NE-OG 2.86Å; R55-S106 PolarHBondContact NH2-OG 3.2Å; L56-S106 CarbonylContact O-C 3.56Å; L56-S106 WeakPolarHBondContact O-CA 3.24Å; L56-S106 WeakPolarHBondContact O-CB 3.46Å; S106-N108 PolarHBondContact O-N 2.8Å; S106-F109 VanDerWaalsContact O-CB 3.26Å; S106-F109 WeakPolarHBondContact O-CB 3.41Å; S106-F109 PolarHBondContact O-N 2.91Å
107	S	53	Low	49.2	Very low	5 Å²	5	70.2 Å²	70.2	4%	0.035	40%	0.404	C	S	.	.	H	α-helix	trans	-51.5	-31.6	-177	50.4	0	0	0	0	115.2	L56 F109 L110 L111	L56-S107 PolarHBondContact N-OG 2.74Å; L56-S107 PolarHBondContact O-N 2.75Å; S107-F109 PolarHBondContact O-N 3.45Å; S107-L110 PolarHBondContact O-N 2.9Å; S107-L111 PolarHBondContact O-N 3.42Å
108	N	47.7	Very low	48.8	Very low	111 Å²	111	66.8 Å²	66.8	59%	0.594	39%	0.393	S	S	*	.	H	α-helix	trans	-59.3	-27.2	174.7	-71.1	13.2	0	0	0	113.8	S106 S112	S106-N108 PolarHBondContact O-N 2.8Å; N108-S112 PolarHBondContact O-N 3.47Å; N108-S112 PolarHBondContact O-OG 2.97Å
109	F	45.8	Very low	48.2	Very low	134 Å²	134	65.4 Å²	65.4	59%	0.588	38%	0.382	S	S	*	.	H	α-helix	trans	-77.7	-22.1	176	-173.1	-93.3	0	0	0	112.6	S106 S107 S112 N113	S106-F109 VanDerWaalsContact O-CB 3.26Å; S106-F109 WeakPolarHBondContact O-CB 3.41Å; S106-F109 PolarHBondContact O-N 2.91Å; S107-F109 PolarHBondContact O-N 3.45Å; F109-S112 PolarHBondContact O-OG 3.23Å; F109-N113 PolarHBondContact O-ND2 2.84Å
110	L	48.3	Very low	47.3	Very low	50 Å²	50	67.7 Å²	67.7	26%	0.262	39%	0.392	S	S	.	.	H	α-helix	trans	-85.6	-43.5	168.5	-70.8	-178.3	0	0	0	111.2	F9 V58 S107 S112 N113 L114	F9-L110 HydrophobicContact CE1-CD1 4.24Å; V58-L110 HydrophobicContact CG1-CD1 4.19Å; V58-L110 HydrophobicContact CG2-CD1 3.65Å; V58-L110 HydrophobicContact CG2-CG 4.32Å; S107-L110 PolarHBondContact O-N 2.9Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.18Å; L110-N113 CarbonylContact O-C 3.53Å; L110-N113 PolarHBondContact O-N 3.45Å; L110-L114 HydrophobicContact CB-CD1 4.01Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.3Å; L110-L114 PolarHBondContact O-N 3.07Å
111	L	40.6	Very low	45.9	Very low	45 Å²	45	69.7 Å²	69.7	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-35.6	-177.5	-81.1	160.7	0	0	0	112.8	F9 S107 N113 L115	F9-L111 HydrophobicContact CB-CD2 4.24Å; F9-L111 HydrophobicContact CB-CG 4.45Å; S107-L111 PolarHBondContact O-N 3.42Å; L111-N113 PolarHBondContact O-N 3.42Å; L111-L115 WeakPolarHBondContact O-CD1 3.48Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å
112	S	39.2	Very low	44.6	Very low	63 Å²	63	73.1 Å²	73.1	44%	0.441	44%	0.435	S	S	.	.	H	α-helix	trans	-64.9	-26.5	172.8	57.7	0	0	0	0	113.6	N108 F109 L110	N108-S112 PolarHBondContact O-N 3.47Å; N108-S112 PolarHBondContact O-OG 2.97Å; F109-S112 PolarHBondContact O-OG 3.23Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.18Å
113	N	42.9	Very low	43.4	Very low	93 Å²	93	73.3 Å²	73.3	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-110	-10.6	-169.6	-59.6	7.1	0	0	0	112.8	F109 L110 L111	F109-N113 PolarHBondContact O-ND2 2.84Å; L110-N113 CarbonylContact O-C 3.53Å; L110-N113 PolarHBondContact O-N 3.45Å; L111-N113 PolarHBondContact O-N 3.42Å
114	L	41.1	Very low	42.2	Very low	71 Å²	71	73.8 Å²	73.8	37%	0.372	45%	0.452	S	S	.	.	H	α-helix	trans	-94	-30.2	176.8	-76.6	171	0	0	0	113.1	F9 L110 D116 V117 V118	F9-L114 HydrophobicContact CZ-CD1 4.47Å; L110-L114 HydrophobicContact CB-CD1 4.01Å; L110-L114 WeakPolarHBondContact O-CB 3.45Å; L110-L114 WeakPolarHBondContact O-CG 3.3Å; L110-L114 PolarHBondContact O-N 3.07Å; L114-D116 PolarHBondContact O-N 3.33Å; L114-V117 WeakPolarHBondContact O-CB 3.33Å; L114-V117 PolarHBondContact O-N 3.43Å; L114-V118 PolarHBondContact O-N 2.78Å
115	L	34.4	Very low	40.7	Very low	98 Å²	98	79.2 Å²	79.2	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-57.6	-37.9	177.7	-78.8	167	0	0	0	111.9	L111 V117 V118	L111-L115 WeakPolarHBondContact O-CD1 3.48Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L115-V117 PolarHBondContact O-N 3.23Å; L115-V118 PolarHBondContact O-N 3.27Å
116	D	35.9	Very low	39.4	Very low	96 Å²	96	84.7 Å²	84.7	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-74	-3	178.6	-63.2	-20.3	0	0	0	114	L114	L114-D116 PolarHBondContact O-N 3.33Å
117	V	38.1	Very low	38.4	Very low	94 Å²	94	92.8 Å²	92.8	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-101.5	-34	176.4	-176.9	0	0	0	0	111.9	L114 L115 V119	L114-V117 WeakPolarHBondContact O-CB 3.33Å; L114-V117 PolarHBondContact O-N 3.43Å; L115-V117 PolarHBondContact O-N 3.23Å; V117-V119 PolarHBondContact O-N 3.15Å
118	V	34.6	Very low	37.7	Very low	71 Å²	71	100.9 Å²	100.9	43%	0.43	57%	0.571	S	S	.	*	H	α-helix	trans	-70.6	-33.9	-171.7	175.9	0	0	0	0	112.9	L114 L115 V120 A121	L114-V118 PolarHBondContact O-N 2.78Å; L115-V118 PolarHBondContact O-N 3.27Å; V118-V120 PolarHBondContact O-N 3.41Å; V118-V120 VanDerWaalsContact O-N 3.11Å; V118-A121 PolarHBondContact O-N 2.75Å
119	V	34.7	Very low	37.1	Very low	104 Å²	104	103.8 Å²	103.8	63%	0.63	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-28.3	-173.2	-179.7	0	0	0	0	113.5	V117	V117-V119 PolarHBondContact O-N 3.15Å
120	V	34.6	Very low	36.4	Very low	117 Å²	117	100.2 Å²	100.2	71%	0.709	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-23	-179.4	-176.2	0	0	0	0	112.6	V118	V118-V120 PolarHBondContact O-N 3.41Å; V118-V120 VanDerWaalsContact O-N 3.11Å
121	A	32.7	Very low	35.6	Very low	69 Å²	69	110 Å²	110	57%	0.57	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-35.6	-176.1	0	0	0	0	0	113.4	V118 A123 A124	V118-A121 PolarHBondContact O-N 2.75Å; A121-A123 VanDerWaalsContact C-N 3.29Å; A121-A123 PolarHBondContact O-N 3.44Å; A121-A124 PolarHBondContact O-N 2.9Å
122	A	32	Very low	35.1	Very low	76 Å²	76	112.8 Å²	112.8	63%	0.628	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-64.2	-30.7	-173.6	0	0	0	0	0	113.7	A124	A122-A124 PolarHBondContact O-N 3.39Å
123	A	32.2	Very low	34.5	Very low	82 Å²	82	114.9 Å²	114.9	68%	0.678	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-73.2	-7.6	-178.7	0	0	0	0	0	114.5	A121	A121-A123 VanDerWaalsContact C-N 3.29Å; A121-A123 PolarHBondContact O-N 3.44Å
124	A	34.8	Very low	33.8	Very low	72 Å²	72	114.3 Å²	114.3	60%	0.595	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-92.9	-17.4	-174.2	0	0	0	0	0	114.9	A121 A122	A121-A124 PolarHBondContact O-N 2.9Å; A122-A124 PolarHBondContact O-N 3.39Å
125	D	31.8	Very low	33.4	Very low	130 Å²	130	116.9 Å²	116.9	70%	0.695	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-22.6	-167.2	-133.4	14	0	0	0	114.1	Q127	D125-Q127 PolarHBondContact O-N 3.3Å; D125-Q127 VanDerWaalsContact O-N 3.13Å
126	E	34.1	Very low	33.2	Very low	186 Å²	186	115.4 Å²	115.4	87%	0.869	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-13.1	175.4	-72.3	-159.3	113.7	0	0	113.7
127	Q	37.9	Very low	33.1	Very low	182 Å²	182	117.5 Å²	117.5	85%	0.85	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	15.8	-172.2	-137.7	163.3	25.8	0	0	115.4	D125	D125-Q127 PolarHBondContact O-N 3.3Å; D125-Q127 VanDerWaalsContact O-N 3.13Å
128	K	37.3	Very low	32.7	Very low	175 Å²	175	118 Å²	118	76%	0.761	75%	0.753	S	S	*	*	S	Bend	trans	-113.6	-19.5	173.8	-84.1	177.9	178.2	167.8	0	116.4	G130	K128-G130 PolarHBondContact O-N 3.45Å
129	N	35.3	Very low	32.5	Very low	172 Å²	172	119.9 Å²	119.9	92%	0.92	78%	0.776	S	S	*	*	S	Bend	trans	-81.8	63.5	174.7	-86.3	-25.5	0	0	0	111.7
130	G	32.3	Very low	32.3	Very low	58 Å²	58	118.7 Å²	118.7	60%	0.598	79%	0.785	S	S	*	*			trans	-149.6	23.7	-160.5	0	0	0	0	0	119	K128	K128-G130 PolarHBondContact O-N 3.45Å
131	R	31.3	Very low	32	Very low	255 Å²	255	119.4 Å²	119.4	96%	0.962	80%	0.795	S	S	*	*			trans	-177.1	120.9	156.8	-101	144.9	-163.3	-153.5	4.1	113.3
132	A	28.8	Very low	31.9	Very low	105 Å²	105	119.4 Å²	119.4	87%	0.868	80%	0.802	S	S	*	*			trans	-141.5	113.9	162.9	0	0	0	0	0	109.4
133	A	28.4	Very low	31.8	Very low	106 Å²	106	121.2 Å²	121.2	88%	0.876	82%	0.817	S	S	*	*			trans	-166.7	124.3	173.3	0	0	0	0	0	112.1
134	G	28.3	Very low	31.6	Very low	81 Å²	81	121 Å²	121	84%	0.835	82%	0.823	S	S	*	*			trans	77.7	147.8	170	0	0	0	0	0	115.7
135	S	31.3	Very low	31.3	Very low	125 Å²	125	121.9 Å²	121.9	87%	0.874	84%	0.839	S	S	*	*			cis	-149.9	159.1	-8.4	51.2	0	0	0	0	110.7
136	G	30.8	Very low	31.1	Very low	68 Å²	68	119.5 Å²	119.5	70%	0.701	85%	0.845	S	S	*	*			trans	-87.3	174.1	-171.7	0	0	0	0	0	115.6
137	P	32.7	Very low	30.8	Very low	140 Å²	140	114.3 Å²	114.3	91%	0.909	84%	0.842	S	S	*	*			trans	-76.9	147.1	-178.8	32.5	-35.5	0	0	0	112.6
138	A	30.3	Very low	30.4	Very low	104 Å²	104	110.2 Å²	110.2	86%	0.86	84%	0.838	S	S	*	*			trans	-110.9	137.6	174.7	0	0	0	0	0	111.4
139	A	31.3	Very low	30.1	Very low	110 Å²	110	108.6 Å²	108.6	91%	0.909	84%	0.838	S	S	*	*			trans	-96.1	156.7	171.3	0	0	0	0	0	111.1
140	G	28.9	Very low	29.9	Very low	79 Å²	79	106.1 Å²	106.1	81%	0.814	83%	0.825	S	S	*	*			trans	-152.1	143.5	174.6	0	0	0	0	0	111.2
141	S	30.3	Very low	29.7	Very low	133 Å²	133	113 Å²	113	93%	0.93	83%	0.833	S	S	*	*			trans	-143.5	151.9	-164.2	56	0	0	0	0	114.4
142	G	28.7	Very low	29.7	Very low	69 Å²	69	107 Å²	107	71%	0.711	82%	0.815	S	S	*	*			trans	150.2	120.2	175.3	0	0	0	0	0	109.8
143	A	29.9	Very low	29.8	Very low	113 Å²	113	110.2 Å²	110.2	93%	0.934	81%	0.812	S	S	*	*				73.5	126.7	54.8	0	0	0	0	0	113.1
144	G	28	Very low	29.8	Very low	79 Å²	79	108.7 Å²	108.7	81%	0.814	81%	0.807	S	S	*	*			cis	175.4	-175.4	-3.9	0	0	0	0	0	113.3
145	G	28.8	Very low	29.8	Very low	89 Å²	89	116.6 Å²	116.6	92%	0.918	81%	0.811	S	S	*	*			trans	85.8	158.6	176	0	0	0	0	0	115.7
146	G	28	Very low	30.4	Very low	81 Å²	81	116 Å²	116	84%	0.835	80%	0.804	S	S	*	*			cis	166	137.4	-8.8	0	0	0	0	0	113.4
147	G	28.2	Very low	31.5	Very low	77 Å²	77	118 Å²	118	79%	0.794	81%	0.806	S	S	*	*			trans	87.7	131.9	-179.1	0	0	0	0	0	113.6
148	A	29.2	Very low	32.6	Very low	95 Å²	95	116 Å²	116	79%	0.785	79%	0.792	S	S	*	*			cis	70.2	127.7	45.4	0	0	0	0	0	112.3
149	N	30.2	Very low	32.6	Very low	141 Å²	141	118.4 Å²	118.4	75%	0.754	79%	0.785	S	S	*	*			cis	-165.5	168.2	37.3	-124.9	-24.2	0	0	0	113.9
150	N	31.3	Very low	32.4	Very low	120 Å²	120	124.3 Å²	124.3	64%	0.642	78%	0.784	S	S	*	*			trans	66	137.7	160	-70.3	-27.4	0	0	0	119
151	R	29.2	Very low	32.4	Very low	202 Å²	202	124.7 Å²	124.7	76%	0.762	78%	0.779	S	S	*	*				71	137.3	50.3	-64.3	-177.8	-174.4	-172.6	3.8	112.1
152	H	31.2	Very low	32.3	Very low	129 Å²	129	123.2 Å²	123.2	60%	0.597	78%	0.775	S	S	*	*			cis	-163.8	153.9	10.1	-119.2	-19.1	0	0	0	111.8
153	H	29.7	Very low	32.3	Very low	173 Å²	173	124.2 Å²	124.2	80%	0.801	78%	0.777	S	S	*	*			trans	61.2	159	161.6	-52.5	-54.9	0	0	0	118
154	G	29.6	Very low	32.1	Very low	74 Å²	74	123.6 Å²	123.6	76%	0.763	77%	0.772	S	S	*	*			cis	-161	163.1	1.2	0	0	0	0	0	115.5
155	R	27.9	Very low	32.1	Very low	247 Å²	247	124.4 Å²	124.4	93%	0.932	77%	0.771	S	S	*	*			trans	-73.8	174.5	170.3	-95.1	-176	168.9	-165.9	-1.3	112
156	P	44.2	Very low	32.1	Very low	112 Å²	112	125 Å²	125	73%	0.727	77%	0.767	S	S	*	*			cis	-134	-121.9	-29.8	37.3	-13.4	0	0	0	113.1
157	P	54.4	Low	32	Very low	112 Å²	112	127 Å²	127	73%	0.727	77%	0.769	S	S	*	*			trans	-122.3	-136.7	-148	37	-8.8	0	0	0	111.1
158	P	56.3	Low	32.3	Very low	96 Å²	96	129 Å²	129	62%	0.623	77%	0.77	S	S	*	*			cis	-139.1	-159.5	-12.2	27.9	-0.2	0	0	0	115.6
159	H	28.9	Very low	33.1	Very low	155 Å²	155	130.5 Å²	130.5	72%	0.718	77%	0.772	S	S	*	*			trans	86.6	124.4	168	-64	-59.9	0	0	0	116.7
160	R	28.1	Very low	33.3	Very low	235 Å²	235	128 Å²	128	89%	0.887	77%	0.771	S	S	*	*				67	135.4	75	-87.6	-167.2	175.1	-178.3	-3	112.6
161	A	28.6	Very low	33.4	Very low	86 Å²	86	127.7 Å²	127.7	71%	0.711	79%	0.785	S	S	*	*			cis	-167.3	178.7	-2.9	0	0	0	0	0	111
162	A	28.1	Very low	33.3	Very low	102 Å²	102	121.8 Å²	121.8	84%	0.843	79%	0.787	S	S	*	*			trans	68.1	161.2	158.4	0	0	0	0	0	117.5
163	A	27.8	Very low	33.3	Very low	91 Å²	91	121.7 Å²	121.7	75%	0.752	80%	0.8	S	S	*	*			cis	-166.2	155.6	-26.2	0	0	0	0	0	111.7
164	A	27.5	Very low	33.2	Very low	99 Å²	99	118.6 Å²	118.6	82%	0.818	81%	0.805	S	S	*	*			trans	55.7	164.9	142.3	0	0	0	0	0	123.4
165	A	27.2	Very low	33.4	Very low	97 Å²	97	119.5 Å²	119.5	80%	0.802	81%	0.805	S	S	*	*			trans	66.6	127.8	-178.3	0	0	0	0	0	115.8
166	A	28.5	Very low	34.4	Very low	101 Å²	101	113.2 Å²	113.2	84%	0.835	80%	0.797	S	S	*	*			cis	93.9	107.5	12.9	0	0	0	0	0	117.4
167	S	26.6	Very low	33.9	Very low	124 Å²	124	113.2 Å²	113.2	87%	0.867	80%	0.799	S	S	*	*			trans	-171.9	159.4	149.6	55.9	0	0	0	0	112.1
168	S	34.7	Very low	32.8	Very low	117 Å²	117	111.7 Å²	111.7	82%	0.818	80%	0.796	S	S	*	*			trans	-122.5	157.1	168.9	-51	0	0	0	0	109.4
169	P	46	Very low	31.6	Very low	127 Å²	127	112.6 Å²	112.6	83%	0.825	80%	0.804	S	S	*	*				-151.5	-158.7	113.6	39.6	-22	0	0	0	113.2
170	A	33.4	Very low	31.7	Very low	90 Å²	90	110.3 Å²	110.3	74%	0.744	81%	0.806	S	S	*	*				-172.3	132.6	-84.1	0	0	0	0	0	111.8
171	A	34.1	Very low	31.8	Very low	113 Å²	113	103.9 Å²	103.9	93%	0.934	80%	0.797	S	S	*	*			trans	50.5	144.2	162.5	0	0	0	0	0	121.9
172	G	26.1	Very low	31.9	Very low	77 Å²	77	105.8 Å²	105.8	79%	0.794	81%	0.805	S	S	*	*			trans	-178.4	144.4	166.2	0	0	0	0	0	112.6
173	S	32.1	Very low	31.8	Very low	127 Å²	127	106.6 Å²	106.6	89%	0.888	81%	0.805	S	S	*	*			trans	-159.3	140.6	-170.6	58.4	0	0	0	0	114.4
174	A	27.6	Very low	31.9	Very low	108 Å²	108	108.1 Å²	108.1	89%	0.893	81%	0.81	S	S	*	*			trans	-161.5	163.5	168.5	0	0	0	0	0	113.7
175	A	33.1	Very low	31.8	Very low	94 Å²	94	107.4 Å²	107.4	78%	0.777	81%	0.812	S	S	*	*			trans	-142.6	173.7	168.8	0	0	0	0	0	108.5
176	P	48.9	Very low	31.8	Very low	115 Å²	115	107 Å²	107	75%	0.747	82%	0.817	S	S	*	*				-159.5	172.1	74.4	43.1	-22	0	0	0	118.9
177	S	33.6	Very low	31.6	Very low	111 Å²	111	106 Å²	106	78%	0.776	82%	0.817	S	S	*	*			trans	38.4	155.1	139	76.4	0	0	0	0	123.7
178	A	32.1	Very low	31.7	Very low	81 Å²	81	103.7 Å²	103.7	67%	0.669	81%	0.812	S	S	*	*			cis	-164.8	162.8	16	0	0	0	0	0	114.5
179	S	31.3	Very low	32.2	Very low	114 Å²	114	104.1 Å²	104.1	80%	0.797	81%	0.812	S	S	*	*			trans	58	153.8	146.3	52.1	0	0	0	0	121.5
180	S	30.9	Very low	31.3	Very low	108 Å²	108	102.5 Å²	102.5	76%	0.755	81%	0.81	S	S	*	*			cis	177.3	162.2	-7.7	49	0	0	0	0	109.4
181	S	30.4	Very low	31.1	Very low	100 Å²	100	102.5 Å²	102.5	70%	0.699	81%	0.81	S	S	*	*			cis	-178.7	146.6	-24	55.4	0	0	0	0	111.3
182	S	29.4	Very low	30.7	Very low	125 Å²	125	104.4 Å²	104.4	87%	0.874	80%	0.804	S	S	*	*			trans	70.7	162.9	168.8	82.3	0	0	0	0	117.8
183	S	27.7	Very low	30.9	Very low	120 Å²	120	108.2 Å²	108.2	84%	0.839	81%	0.805	S	S	*	*			cis	-148.2	-169.7	18.8	61	0	0	0	0	114.5
184	S	28.8	Very low	30.6	Very low	123 Å²	123	110.2 Å²	110.2	86%	0.86	81%	0.805	S	S	*	*			trans	-121.6	160.4	-166.7	55.8	0	0	0	0	114.7
185	G	26.4	Very low	30.5	Very low	83 Å²	83	116.1 Å²	116.1	86%	0.856	80%	0.804	S	S	*	*			trans	168.3	153	168.5	0	0	0	0	0	112.8
186	G	25.7	Very low	30.5	Very low	88 Å²	88	123.1 Å²	123.1	91%	0.907	81%	0.81	S	S	*	*			trans	-153.2	165.4	178.7	0	0	0	0	0	113.3
187	G	24.9	Very low	29.8	Very low	82 Å²	82	122.9 Å²	122.9	85%	0.845	81%	0.809	S	S	*	*			trans	162.2	139.6	177.2	0	0	0	0	0	113
188	G	29.3	Very low	29.6	Very low	74 Å²	74	125.7 Å²	125.7	76%	0.763	81%	0.81	S	S	*	*			trans	-89.5	-163.8	159.9	0	0	0	0	0	111.1
189	P	43.8	Very low	29.4	Very low	126 Å²	126	125.9 Å²	125.9	82%	0.818	81%	0.806	S	S	*	*			cis	-143.2	-178	19	43.7	-25	0	0	0	117
190	A	28.9	Very low	29.5	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	81%	0.813	S	S	*	*			trans	64.6	124.9	141	0	0	0	0	0	123.6
191	A	27.8	Very low	29.7	Very low	91 Å²	91	136.5 Å²	136.5	75%	0.752	82%	0.82	S	S	*	*				102.2	128.8	123.5	0	0	0	0	0	123.1
192	L	26.1	Very low	30.6	Very low	153 Å²	153	135.6 Å²	135.6	80%	0.801	83%	0.826	S	S	*	*			trans	74.9	101.2	143.4	-67.5	165.5	0	0	0	122.4
193	L	30.6	Very low	31.9	Very low	156 Å²	156	137.7 Å²	137.7	82%	0.817	82%	0.822	S	S	*	*				38.9	122.9	125	-60.6	176.2	0	0	0	120.9
194	L	25.9	Very low	33.9	Very low	170 Å²	170	134.1 Å²	134.1	89%	0.89	80%	0.796	S	S	*	*				-158.5	174.8	125.9	-110.7	166.3	0	0	0	112.9
195	R	24.4	Very low	36.3	Very low	231 Å²	231	136.5 Å²	136.5	87%	0.872	79%	0.786	S	S	*	*			trans	-79.7	159.7	-155.3	-73	169.8	165.8	-179.3	-5.7	116.8
196	R	33.9	Very low	38.9	Very low	241 Å²	241	132.9 Å²	132.9	91%	0.909	75%	0.748	S	S	*	*			trans	-50.6	155.8	163.7	-65.5	177	174.2	166	-2	113.1
197	P	34.8	Very low	41.3	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	73%	0.732	S	S	*	*				-125.3	152.7	126.4	-0.6	22.1	0	0	0	116.2
198	H	28.8	Very low	43.6	Very low	170 Å²	170	131.8 Å²	131.8	79%	0.787	71%	0.713	S	S	*	*			trans	51.9	91.3	148.8	-62.9	-60	0	0	0	124.1
199	S	28.1	Very low	45.8	Very low	84 Å²	84	129.8 Å²	129.8	59%	0.587	69%	0.687	S	S	*	*				28.9	118.8	111	61.7	0	0	0	0	120.3
200	R	32.7	Very low	47.1	Very low	254 Å²	254	132.4 Å²	132.4	96%	0.958	69%	0.694	S	S	*	*				-85.4	151.5	129.6	-75.8	-172.2	172.8	-163.9	-2.4	109.1
201	Q	34.8	Very low	49	Very low	192 Å²	192	135.2 Å²	135.2	90%	0.897	69%	0.692	S	S	*	*			trans	-99.2	152.6	-175.2	-62.3	163.5	-16.9	0	0	110.2
202	G	50.3	Low	50.9	Low	80 Å²	80	131.9 Å²	131.9	83%	0.825	67%	0.666	S	S	*	*			trans	158	-49.8	166.1	0	0	0	0	0	116.3
203	E	56.3	Low	53.4	Low	170 Å²	170	127.6 Å²	127.6	79%	0.794	64%	0.644	S	S	*	*			trans	-109.8	140.2	-161.6	-65.5	175.4	163.4	0	0	114
204	P	70.6	Confident	55.7	Low	44 Å²	44	123 Å²	123	29%	0.286	63%	0.628	S	S	.	*			trans	-70.5	147	174.3	29.3	-33.4	0	0	0	111.8	A215 H225 F248	P204-A215 HydrophobicContact CB-CB 4.33Å; P204-A215 HydrophobicContact CG-CB 4.29Å; P204-A215 PolarHBondContact O-N 3Å; P204-H225 HydrophobicContact CB-CB 4.44Å; P204-F248 HydrophobicContact CG-CD2 4.33Å; P204-F248 HydrophobicContact CG-CE2 3.65Å; P204-F248 HydrophobicContact CG-CZ 4.02Å
205	R	79	Confident	58.2	Low	173 Å²	173	115.4 Å²	115.4	65%	0.653	59%	0.59	S	S	*	*	B	Isolated β-bridge	trans	-104	153.1	172.2	-74	-177.1	175	-111.7	-4.5	111	S207 G212 H225	R205-S207 PolarHBondContact O-N 2.75Å; R205-G212 WeakPolarHBondContact CD-O 3.32Å; R205-G212 PolarHBondContact NH1-O 3.5Å; R205-H225 WeakPolarHBondContact O-CB 3.44Å
206	C	81.4	Confident	60.9	Low	8 Å²	8	105.9 Å²	105.9	5%	0.054	56%	0.559	C	S	.	*			trans	-64.3	125.1	177.3	-178.7	0	0	0	0	110.4	N213 H225 C227 C230	C206-N213 WeakPolarHBondContact CB-O 3.5Å; C206-N213 PolarHBondContact N-O 3.02Å; C206-H225 CarbonylContact C-O 3.38Å; C206-H225 VanDerWaalsContact CA-O 3.3Å; C206-H225 WeakPolarHBondContact CA-O 3.3Å; C206-C227 HydrophobicContact CB-CB 4Å; C206-C227 PolarHBondContact SG-N 3.12Å; C206-C227 VanDerWaalsContact SG-N 3.37Å; C206-C230 VanDerWaalsContact SG-SG 3.64Å
207	S	75.8	Confident	63.2	Low	81 Å²	81	94.4 Å²	94.4	57%	0.566	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.3	-179	-53.3	0	0	0	0	112.7	R205 H225	R205-S207 PolarHBondContact O-N 2.75Å; S207-H225 PolarHBondContact N-O 2.99Å
208	S	71.9	Confident	65.6	Low	66 Å²	66	92.8 Å²	92.8	46%	0.462	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	40.4	-172.3	-78.8	0	0	0	0	113.4	E224 C230	S208-E224 WeakPolarHBondContact CB-OE2 3.47Å; S208-E224 PolarHBondContact OG-OE2 3.49Å; S208-C230 PolarHBondContact O-SG 3.41Å
209	C	75.9	Confident	68.2	Low	31 Å²	31	84.7 Å²	84.7	21%	0.209	46%	0.458	C	S	.	.			trans	-150	136.2	163.2	64.9	0	0	0	0	113	E211 G212	C209-E211 PolarHBondContact O-N 3.3Å; C209-G212 PolarHBondContact O-N 2.86Å
210	D	70.7	Confident	70.5	Confident	181 Å²	181	84 Å²	84	97%	0.968	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.7	-178.7	-57.4	-58.1	0	0	0	113.8	G212	D210-G212 PolarHBondContact O-N 3.31Å
211	E	69.3	Low	72.6	Confident	153 Å²	153	76.8 Å²	76.8	72%	0.715	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.1	175.2	-62.6	-178.9	160.7	0	0	113.2	C209 N213	C209-E211 PolarHBondContact O-N 3.3Å; E211-N213 VanDerWaalsContact C-N 3.3Å; E211-N213 WeakPolarHBondContact CB-ND2 3.45Å; E211-N213 PolarHBondContact O-N 2.9Å; E211-N213 PolarHBondContact OE2-ND2 2.91Å
212	G	68.2	Low	74.8	Confident	21 Å²	21	69.8 Å²	69.8	22%	0.216	40%	0.4	C	S	.	.			trans	63.5	30.6	177.8	0	0	0	0	0	114.6	R205 C209 D210	R205-G212 WeakPolarHBondContact CD-O 3.32Å; R205-G212 PolarHBondContact NH1-O 3.5Å; C209-G212 PolarHBondContact O-N 2.86Å; D210-G212 PolarHBondContact O-N 3.31Å
213	N	78.3	Confident	76.2	Confident	62 Å²	62	72 Å²	72	33%	0.332	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-54.9	158.7	-179.8	-71.8	-53.4	0	0	0	113.1	C206 E211 C227	C206-N213 WeakPolarHBondContact CB-O 3.5Å; C206-N213 PolarHBondContact N-O 3.02Å; E211-N213 VanDerWaalsContact C-N 3.3Å; E211-N213 WeakPolarHBondContact CB-ND2 3.45Å; E211-N213 PolarHBondContact O-N 2.9Å; E211-N213 PolarHBondContact OE2-ND2 2.91Å; N213-C227 HydrophobicContact CB-CB 4.12Å
214	A	79.1	Confident	77.3	Confident	60 Å²	60	66.6 Å²	66.6	50%	0.496	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-63.6	143	173.3	0	0	0	0	0	111.1	C227	A214-C227 WeakPolarHBondContact O-CB 3.43Å
215	A	78	Confident	78	Confident	11 Å²	11	66.8 Å²	66.8	9%	0.091	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-86.9	117.5	176.7	0	0	0	0	0	110.5	P204 S217 H225 L226 F248	P204-A215 HydrophobicContact CB-CB 4.33Å; P204-A215 HydrophobicContact CG-CB 4.29Å; P204-A215 PolarHBondContact O-N 3Å; A215-S217 VanDerWaalsContact C-N 3.3Å; A215-H225 HydrophobicContact CB-CB 3.71Å; A215-L226 CarbonylContact C-O 3.45Å; A215-L226 WeakPolarHBondContact CA-O 3.08Å; A215-F248 WeakPolarHBondContact O-CD2 3.35Å
216	S	81.6	Confident	78.3	Confident	31 Å²	31	58.6 Å²	58.6	22%	0.217	33%	0.329	C	S	.	.	S	Bend	trans	-78.8	-19.9	171.9	61	0	0	0	0	112.2	L226 D228 F248	S216-L226 PolarHBondContact N-O 3.49Å; S216-D228 WeakPolarHBondContact CB-OD1 3.39Å; S216-D228 PolarHBondContact OG-N 2.96Å; S216-D228 PolarHBondContact OG-OD1 2.97Å; S216-F248 WeakPolarHBondContact O-CD2 3.48Å; S216-F248 PolarHBondContact O-N 3.09Å
217	S	82.3	Confident	78.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	162.1	-167	-43.5	0	0	0	0	112	A215 L226 E246 R247	A215-S217 VanDerWaalsContact C-N 3.3Å; S217-L226 PolarHBondContact N-O 3.25Å; S217-L226 PolarHBondContact O-N 2.6Å; S217-E246 CarbonylContact C-O 3.6Å; S217-E246 WeakPolarHBondContact CA-O 3.4Å; S217-E246 WeakPolarHBondContact CB-O 3.46Å; S217-R247 WeakPolarHBondContact OG-CG 3.32Å; S217-R247 PolarHBondContact OG-NE 3.49Å
218	R	85.8	Confident	78.8	Confident	76 Å²	76	58 Å²	58	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.3	168.6	-164.5	-173.7	-173.6	-164.7	-3.1	109.7	Q223 E224 I245 E246 F248	R218-Q223 PolarHBondContact NE-O 3.43Å; R218-Q223 PolarHBondContact NH2-O 2.91Å; R218-E224 CarbonylContact C-O 3.54Å; R218-E224 WeakPolarHBondContact CA-O 3.47Å; R218-E224 WeakPolarHBondContact CG-O 3.4Å; R218-I245 CarbonylContact O-C 3.46Å; R218-I245 WeakPolarHBondContact O-CA 3.39Å; R218-E246 PolarHBondContact N-O 2.99Å; R218-E246 PolarHBondContact O-N 3.48Å; R218-F248 HydrophobicContact CB-CZ 3.9Å
219	C	82.4	Confident	79.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.2	165.8	178.5	0	0	0	0	108.6	C222 Q223 E224 L226 H234 H243 F244 I245	C219-C222 PolarHBondContact SG-SG 3.06Å; C219-Q223 CarbonylContact O-C 3.49Å; C219-Q223 WeakPolarHBondContact O-CA 3.37Å; C219-Q223 PolarHBondContact O-N 3.27Å; C219-E224 PolarHBondContact N-O 2.84Å; C219-L226 HydrophobicContact CB-CD1 4.31Å; C219-H234 WeakPolarHBondContact CB-NE2 3.46Å; C219-H234 PolarHBondContact SG-NE2 2.71Å; C219-H243 VanDerWaalsContact SG-CB 3.56Å; C219-F244 WeakPolarHBondContact CA-O 3.3Å; C219-I245 HydrophobicContact CB-CG1 4.11Å
220	L	75.9	Confident	79.4	Confident	71 Å²	71	59.1 Å²	59.1	37%	0.372	32%	0.32	S	S	.	.	S	Bend	trans	-80.9	-35.4	-178.4	-61.7	-173.4	0	0	0	112	Q223 F244 E246	L220-Q223 WeakPolarHBondContact O-CG 3.36Å; L220-F244 HydrophobicContact CD1-CD1 3.9Å; L220-F244 HydrophobicContact CD1-CE1 4.44Å; L220-F244 HydrophobicContact CG-CD1 4.42Å; L220-F244 PolarHBondContact N-O 2.94Å; L220-E246 HydrophobicContact CD1-CB 4.43Å; L220-E246 HydrophobicContact CD2-CB 4.24Å; L220-E246 HydrophobicContact CG-CB 4.29Å
221	D	76.4	Confident	79.8	Confident	101 Å²	101	50.6 Å²	50.6	54%	0.54	27%	0.274	S	S	.	.	S	Bend	trans	-72.5	-43.9	-175.9	-52	-76.5	0	0	0	113.3	H243 F244	D221-H243 HydrophobicContact CB-CB 4.35Å; D221-H243 WeakPolarHBondContact OD2-CA 3.26Å; D221-H243 IonicContact OD2-CG 2.87Å; D221-F244 PolarHBondContact OD2-N 3.29Å
222	C	81.1	Confident	80.4	Confident	46 Å²	46	49.8 Å²	49.8	31%	0.311	27%	0.265	S	S	.	.	S	Bend	trans	-97.8	0.3	174	75.4	0	0	0	0	113.7	C219 E224 H234	C219-C222 PolarHBondContact SG-SG 3.06Å; C222-E224 PolarHBondContact O-N 3.35Å; C222-H234 PolarHBondContact SG-CE1 3.31Å; C222-H234 PolarHBondContact SG-NE2 2.75Å
223	Q	79.4	Confident	81	Confident	125 Å²	125	51 Å²	51	58%	0.584	27%	0.272	S	S	*	.			trans	60.4	0.5	179.1	-63.2	-161.2	28.5	0	0	117.4	R218 C219 L220	R218-Q223 PolarHBondContact NE-O 3.43Å; R218-Q223 PolarHBondContact NH2-O 2.91Å; C219-Q223 CarbonylContact O-C 3.49Å; C219-Q223 WeakPolarHBondContact O-CA 3.37Å; C219-Q223 PolarHBondContact O-N 3.27Å; L220-Q223 WeakPolarHBondContact O-CG 3.36Å
224	E	80.6	Confident	81.1	Confident	57 Å²	57	49.2 Å²	49.2	27%	0.266	26%	0.262	S	S	.	.			trans	-66.5	146.4	-179.9	-77.4	-171.3	-137.6	0	0	114.1	S208 R218 C219 C222 L226 H234	S208-E224 WeakPolarHBondContact CB-OE2 3.47Å; S208-E224 PolarHBondContact OG-OE2 3.49Å; R218-E224 CarbonylContact C-O 3.54Å; R218-E224 WeakPolarHBondContact CA-O 3.47Å; R218-E224 WeakPolarHBondContact CG-O 3.4Å; C219-E224 PolarHBondContact N-O 2.84Å; C222-E224 PolarHBondContact O-N 3.35Å; E224-L226 HydrophobicContact CB-CD2 4.36Å; E224-H234 IonicContact OE1-CE1 3.7Å
225	H	85.9	Confident	81	Confident	48 Å²	48	50.7 Å²	50.7	22%	0.222	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.7	170.5	-71.9	-79	0	0	0	110.3	P204 R205 C206 S207 A215 F248	P204-H225 HydrophobicContact CB-CB 4.44Å; R205-H225 WeakPolarHBondContact O-CB 3.44Å; C206-H225 CarbonylContact C-O 3.38Å; C206-H225 VanDerWaalsContact CA-O 3.3Å; C206-H225 WeakPolarHBondContact CA-O 3.3Å; S207-H225 PolarHBondContact N-O 2.99Å; A215-H225 HydrophobicContact CB-CB 3.71Å; H225-F248 AromaticContact CE1-CZ 3.82Å; H225-F248 AromaticContact ND1-CE2 3.94Å; H225-F248 AromaticContact ND1-CZ 3.65Å
226	L	84.1	Confident	80.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138	-170.1	-59.1	174.5	0	0	0	111.2	A215 S216 S217 C219 E224 C230 V231 H234 I245	A215-L226 CarbonylContact C-O 3.45Å; A215-L226 WeakPolarHBondContact CA-O 3.08Å; S216-L226 PolarHBondContact N-O 3.49Å; S217-L226 PolarHBondContact N-O 3.25Å; S217-L226 PolarHBondContact O-N 2.6Å; C219-L226 HydrophobicContact CB-CD1 4.31Å; E224-L226 HydrophobicContact CB-CD2 4.36Å; L226-C230 HydrophobicContact CB-CB 4.32Å; L226-C230 HydrophobicContact CD2-CB 4.01Å; L226-V231 HydrophobicContact CB-CG2 3.61Å; L226-V231 HydrophobicContact CD1-CG2 4.23Å; L226-H234 HydrophobicContact CD1-CB 3.98Å; L226-I245 HydrophobicContact CD1-CD1 4.36Å
227	C	86.3	Confident	80.4	Confident	11 Å²	11	61.6 Å²	61.6	7%	0.074	30%	0.301	C	S	.	.			trans	-81.6	164.1	163.9	73.8	0	0	0	0	110.4	C206 N213 A214 N229 C230 V231	C206-C227 HydrophobicContact CB-CB 4Å; C206-C227 PolarHBondContact SG-N 3.12Å; C206-C227 VanDerWaalsContact SG-N 3.37Å; N213-C227 HydrophobicContact CB-CB 4.12Å; A214-C227 WeakPolarHBondContact O-CB 3.43Å; C227-N229 PolarHBondContact O-N 3.41Å; C227-N229 VanDerWaalsContact O-N 3.1Å; C227-C230 CarbonylContact O-C 3.57Å; C227-C230 WeakPolarHBondContact O-CA 3.38Å; C227-C230 PolarHBondContact O-N 3.26Å; C227-V231 WeakPolarHBondContact O-CG2 3.39Å; C227-V231 PolarHBondContact O-N 2.97Å
228	D	81.4	Confident	79.7	Confident	66 Å²	66	73.1 Å²	73.1	35%	0.353	35%	0.345	S	S	.	.	H	α-helix	trans	-58.7	-30.6	-173.3	-66.2	-44.1	0	0	0	114.5	S216 R232 R247	S216-D228 WeakPolarHBondContact CB-OD1 3.39Å; S216-D228 PolarHBondContact OG-N 2.96Å; S216-D228 PolarHBondContact OG-OD1 2.97Å; D228-R232 VanDerWaalsContact O-CG 3.29Å; D228-R232 WeakPolarHBondContact O-CG 3.49Å; D228-R232 PolarHBondContact O-N 2.9Å; D228-R247 IonicContact OD1-NE 2.73Å
229	N	79.3	Confident	78.9	Confident	103 Å²	103	76.9 Å²	76.9	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-69.8	-41.1	174.1	-73.5	-20.1	0	0	0	111.8	C227 R232 A233	C227-N229 PolarHBondContact O-N 3.41Å; C227-N229 VanDerWaalsContact O-N 3.1Å; N229-R232 PolarHBondContact O-N 2.72Å; N229-R232 PolarHBondContact OD1-NH1 3.29Å; N229-A233 PolarHBondContact O-N 2.94Å; N229-A233 VanDerWaalsContact O-N 3.17Å
230	C	81.6	Confident	78.3	Confident	18 Å²	18	78 Å²	78	12%	0.122	38%	0.377	C	S	.	.	H	α-helix	trans	-72.4	-33.8	176.3	-63.3	0	0	0	0	112.3	C206 S208 L226 C227 R232 A233 H234	C206-C230 VanDerWaalsContact SG-SG 3.64Å; S208-C230 PolarHBondContact O-SG 3.41Å; L226-C230 HydrophobicContact CB-CB 4.32Å; L226-C230 HydrophobicContact CD2-CB 4.01Å; C227-C230 CarbonylContact O-C 3.57Å; C227-C230 WeakPolarHBondContact O-CA 3.38Å; C227-C230 PolarHBondContact O-N 3.26Å; C230-R232 VanDerWaalsContact C-N 3.34Å; C230-R232 PolarHBondContact O-N 3.19Å; C230-A233 WeakPolarHBondContact O-CA 3.29Å; C230-A233 WeakPolarHBondContact O-CB 3.32Å; C230-A233 PolarHBondContact O-N 2.87Å; C230-H234 WeakPolarHBondContact O-CB 3.46Å; C230-H234 PolarHBondContact O-N 3.42Å
231	V	79.7	Confident	78.2	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.006	38%	0.383	C	S	.	.	H	α-helix	trans	-56.4	-48.4	169.6	172.3	0	0	0	0	110.6	L226 C227 A233 H234 Q235 I245	L226-V231 HydrophobicContact CB-CG2 3.61Å; L226-V231 HydrophobicContact CD1-CG2 4.23Å; C227-V231 WeakPolarHBondContact O-CG2 3.39Å; C227-V231 PolarHBondContact O-N 2.97Å; V231-A233 PolarHBondContact O-N 3.49Å; V231-H234 PolarHBondContact O-N 3.43Å; V231-Q235 WeakPolarHBondContact O-CB 3.35Å; V231-Q235 WeakPolarHBondContact O-CG 3.14Å; V231-Q235 PolarHBondContact O-N 3.28Å; V231-I245 HydrophobicContact CG1-CD1 3.98Å; V231-I245 HydrophobicContact CG1-CG2 4.22Å; V231-I245 HydrophobicContact CG2-CG2 4.14Å
232	R	81.9	Confident	78	Confident	136 Å²	136	81.8 Å²	81.8	51%	0.513	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-19.6	175.4	-65.3	171.1	-162.5	147.1	1.4	113.3	D228 N229 C230 R236	D228-R232 VanDerWaalsContact O-CG 3.29Å; D228-R232 WeakPolarHBondContact O-CG 3.49Å; D228-R232 PolarHBondContact O-N 2.9Å; N229-R232 PolarHBondContact O-N 2.72Å; N229-R232 PolarHBondContact OD1-NH1 3.29Å; C230-R232 VanDerWaalsContact C-N 3.34Å; C230-R232 PolarHBondContact O-N 3.19Å; R232-R236 PolarHBondContact O-NE 2.93Å; R232-R236 PolarHBondContact O-NH2 3.44Å
233	A	79.6	Confident	78	Confident	46 Å²	46	82.1 Å²	82.1	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-84.1	-46.1	174.2	0	0	0	0	0	111	N229 C230 V231 Q235 R236 V237	N229-A233 PolarHBondContact O-N 2.94Å; N229-A233 VanDerWaalsContact O-N 3.17Å; C230-A233 WeakPolarHBondContact O-CA 3.29Å; C230-A233 WeakPolarHBondContact O-CB 3.32Å; C230-A233 PolarHBondContact O-N 2.87Å; V231-A233 PolarHBondContact O-N 3.49Å; A233-Q235 VanDerWaalsContact C-N 3.32Å; A233-Q235 PolarHBondContact O-N 3.05Å; A233-R236 WeakPolarHBondContact O-CA 3.39Å; A233-R236 PolarHBondContact O-N 3.26Å; A233-V237 PolarHBondContact O-N 3.36Å
234	H	80.3	Confident	77.7	Confident	26 Å²	26	82.9 Å²	82.9	12%	0.12	39%	0.391	C	S	.	.	H	α-helix	trans	-54.5	-48	174.8	-144.6	69.6	0	0	0	110.9	C219 C222 E224 L226 C230 V231 R236 V237 T240 H243 I245	C219-H234 WeakPolarHBondContact CB-NE2 3.46Å; C219-H234 PolarHBondContact SG-NE2 2.71Å; C222-H234 PolarHBondContact SG-CE1 3.31Å; C222-H234 PolarHBondContact SG-NE2 2.75Å; E224-H234 IonicContact OE1-CE1 3.7Å; L226-H234 HydrophobicContact CD1-CB 3.98Å; C230-H234 WeakPolarHBondContact O-CB 3.46Å; C230-H234 PolarHBondContact O-N 3.42Å; V231-H234 PolarHBondContact O-N 3.43Å; H234-R236 PolarHBondContact O-N 3.05Å; H234-V237 PolarHBondContact O-N 3.4Å; H234-T240 CarbonylContact O-C 3.56Å; H234-T240 PolarHBondContact O-OG1 2.89Å; H234-H243 AromaticContact NE2-CE1 3.97Å; H234-H243 AromaticContact NE2-ND1 3.07Å; H234-H243 PolarHBondContact NE2-ND1 3.39Å; H234-I245 HydrophobicContact CB-CD1 4.43Å
235	Q	76.6	Confident	77.8	Confident	90 Å²	90	81.6 Å²	81.6	42%	0.421	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	0.2	176.1	-68.5	-178.9	-37.8	0	0	114.8	V231 A233 K241 I245	V231-Q235 WeakPolarHBondContact O-CB 3.35Å; V231-Q235 WeakPolarHBondContact O-CG 3.14Å; V231-Q235 PolarHBondContact O-N 3.28Å; A233-Q235 VanDerWaalsContact C-N 3.32Å; A233-Q235 PolarHBondContact O-N 3.05Å; Q235-K241 WeakPolarHBondContact O-CG 3.49Å; Q235-I245 HydrophobicContact CG-CD1 3.86Å
236	R	75.1	Confident	77.4	Confident	192 Å²	192	84.1 Å²	84.1	73%	0.725	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-12	175	-82.3	-175.8	-75.2	178	-1	114	R232 A233 H234	R232-R236 PolarHBondContact O-NE 2.93Å; R232-R236 PolarHBondContact O-NH2 3.44Å; A233-R236 WeakPolarHBondContact O-CA 3.39Å; A233-R236 PolarHBondContact O-N 3.26Å; H234-R236 PolarHBondContact O-N 3.05Å
237	V	72.9	Confident	77.2	Confident	79 Å²	79	91.4 Å²	91.4	48%	0.479	42%	0.424	S	S	.	.	S	Bend	trans	-85.6	126.8	176.1	173.1	0	0	0	0	109.5	A233 H234 L239 T240 K241	A233-V237 PolarHBondContact O-N 3.36Å; H234-V237 PolarHBondContact O-N 3.4Å; V237-L239 HydrophobicContact CG1-CB 4.48Å; V237-L239 PolarHBondContact O-N 2.98Å; V237-T240 PolarHBondContact O-N 3.15Å; V237-K241 WeakPolarHBondContact O-CB 3.36Å; V237-K241 PolarHBondContact O-N 3.19Å
238	R	67.6	Low	76.7	Confident	242 Å²	242	95.2 Å²	95.2	91%	0.913	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.3	-174.2	-79.9	-173.5	173.4	-174.8	-2.6	115.6
239	L	69	Low	75.1	Confident	155 Å²	155	97.3 Å²	97.3	81%	0.812	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.1	-178.8	-75.8	161.2	0	0	0	114	V237	V237-L239 HydrophobicContact CG1-CB 4.48Å; V237-L239 PolarHBondContact O-N 2.98Å
240	T	70.5	Confident	73.3	Confident	23 Å²	23	97.4 Å²	97.4	14%	0.141	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	3.5	-174.5	58.5	0	0	0	0	113.2	H234 V237 D242 H243	H234-T240 CarbonylContact O-C 3.56Å; H234-T240 PolarHBondContact O-OG1 2.89Å; V237-T240 PolarHBondContact O-N 3.15Å; T240-D242 VanDerWaalsContact C-N 3.33Å; T240-D242 PolarHBondContact O-N 2.73Å; T240-H243 WeakPolarHBondContact O-CB 3.28Å; T240-H243 PolarHBondContact O-N 3.45Å
241	K	73.9	Confident	71	Confident	118 Å²	118	100 Å²	100	51%	0.513	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-47.4	-179.2	175.5	-174.6	170	-144.5	0	112.6	Q235 V237 H243	Q235-K241 WeakPolarHBondContact O-CG 3.49Å; V237-K241 WeakPolarHBondContact O-CB 3.36Å; V237-K241 PolarHBondContact O-N 3.19Å; K241-H243 VanDerWaalsContact C-N 3.33Å
242	D	71.5	Confident	69	Low	134 Å²	134	106 Å²	106	72%	0.717	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	11.8	-169.9	-48.2	-59.9	0	0	0	111.9	T240	T240-D242 VanDerWaalsContact C-N 3.33Å; T240-D242 PolarHBondContact O-N 2.73Å
243	H	81.4	Confident	66.5	Low	53 Å²	53	104.6 Å²	104.6	25%	0.245	57%	0.568	C	S	.	*			trans	-68.9	144.6	171.3	-72	-170.3	0	0	0	111.8	C219 D221 H234 T240 K241	C219-H243 VanDerWaalsContact SG-CB 3.56Å; D221-H243 HydrophobicContact CB-CB 4.35Å; D221-H243 WeakPolarHBondContact OD2-CA 3.26Å; D221-H243 IonicContact OD2-CG 2.87Å; H234-H243 AromaticContact NE2-CE1 3.97Å; H234-H243 AromaticContact NE2-ND1 3.07Å; H234-H243 PolarHBondContact NE2-ND1 3.39Å; T240-H243 WeakPolarHBondContact O-CB 3.28Å; T240-H243 PolarHBondContact O-N 3.45Å; K241-H243 VanDerWaalsContact C-N 3.33Å
244	F	72.3	Confident	63.9	Low	142 Å²	142	106.9 Å²	106.9	62%	0.623	59%	0.587	S	S	*	*			trans	-77.5	129.8	175.3	-156.1	-91.9	0	0	0	110.9	C219 L220 D221	C219-F244 WeakPolarHBondContact CA-O 3.3Å; L220-F244 HydrophobicContact CD1-CD1 3.9Å; L220-F244 HydrophobicContact CD1-CE1 4.44Å; L220-F244 HydrophobicContact CG-CD1 4.42Å; L220-F244 PolarHBondContact N-O 2.94Å; D221-F244 PolarHBondContact OD2-N 3.29Å
245	I	83.9	Confident	61.4	Low	29 Å²	29	110.1 Å²	110.1	15%	0.149	62%	0.617	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.4	110.4	-176.9	-59	177.9	0	0	0	109.1	R218 C219 L226 V231 H234 Q235	R218-I245 CarbonylContact O-C 3.46Å; R218-I245 WeakPolarHBondContact O-CA 3.39Å; C219-I245 HydrophobicContact CB-CG1 4.11Å; L226-I245 HydrophobicContact CD1-CD1 4.36Å; V231-I245 HydrophobicContact CG1-CD1 3.98Å; V231-I245 HydrophobicContact CG1-CG2 4.22Å; V231-I245 HydrophobicContact CG2-CG2 4.14Å; H234-I245 HydrophobicContact CB-CD1 4.43Å; Q235-I245 HydrophobicContact CG-CD1 3.86Å
246	E	75.9	Confident	58.9	Low	101 Å²	101	111.5 Å²	111.5	47%	0.472	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.2	139.5	175.9	-175.6	174.5	-122.9	0	0	110.1	S217 R218 L220	S217-E246 CarbonylContact C-O 3.6Å; S217-E246 WeakPolarHBondContact CA-O 3.4Å; S217-E246 WeakPolarHBondContact CB-O 3.46Å; R218-E246 PolarHBondContact N-O 2.99Å; R218-E246 PolarHBondContact O-N 3.48Å; L220-E246 HydrophobicContact CD1-CB 4.43Å; L220-E246 HydrophobicContact CD2-CB 4.24Å; L220-E246 HydrophobicContact CG-CB 4.29Å
247	R	79.9	Confident	56.5	Low	155 Å²	155	107.6 Å²	107.6	59%	0.585	65%	0.646	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.5	140.4	176.4	-68.5	-139.4	172.9	108.6	1	111.4	S217 D228	S217-R247 WeakPolarHBondContact OG-CG 3.32Å; S217-R247 PolarHBondContact OG-NE 3.49Å; D228-R247 IonicContact OD1-NE 2.73Å
248	F	76	Confident	54.1	Low	91 Å²	91	107.2 Å²	107.2	40%	0.399	66%	0.658	S	S	.	*			trans	-75.2	132.6	173.3	-54.6	-57.5	0	0	0	110.2	P204 A215 S216 R218 H225	P204-F248 HydrophobicContact CG-CD2 4.33Å; P204-F248 HydrophobicContact CG-CE2 3.65Å; P204-F248 HydrophobicContact CG-CZ 4.02Å; A215-F248 WeakPolarHBondContact O-CD2 3.35Å; S216-F248 WeakPolarHBondContact O-CD2 3.48Å; S216-F248 PolarHBondContact O-N 3.09Å; R218-F248 HydrophobicContact CB-CZ 3.9Å; H225-F248 AromaticContact CE1-CZ 3.82Å; H225-F248 AromaticContact ND1-CE2 3.94Å; H225-F248 AromaticContact ND1-CZ 3.65Å
249	A	49	Very low	52.6	Low	109 Å²	109	102 Å²	102	90%	0.901	66%	0.656	S	S	*	*			trans	-82.9	138.6	-178	0	0	0	0	0	112
250	A	41.5	Very low	50.5	Low	105 Å²	105	99.5 Å²	99.5	87%	0.868	66%	0.657	S	S	*	*			trans	-116.5	148	-176.5	0	0	0	0	0	113.1
251	G	33	Very low	48.4	Very low	73 Å²	73	103 Å²	103	75%	0.753	69%	0.688	S	S	*	*			trans	-91.1	172.9	177.6	0	0	0	0	0	114.7
252	P	37.9	Very low	46.3	Very low	128 Å²	128	103.5 Å²	103.5	83%	0.831	70%	0.704	S	S	*	*			trans	-102.4	153.8	-159.4	37.3	-35.7	0	0	0	117.9
253	A	29.3	Very low	44.2	Very low	106 Å²	106	105.7 Å²	105.7	88%	0.876	71%	0.714	S	S	*	*			trans	76	150.5	159.7	0	0	0	0	0	118.4
254	A	25.1	Very low	41.6	Very low	94 Å²	94	108 Å²	108	78%	0.777	74%	0.742	S	S	*	*			cis	-150.4	152.9	13.4	0	0	0	0	0	116.6
255	A	27.2	Very low	39.5	Very low	93 Å²	93	109.1 Å²	109.1	77%	0.769	75%	0.754	S	S	*	*			trans	64	117.5	143.7	0	0	0	0	0	124
256	S	23.6	Very low	36.9	Very low	119 Å²	119	113.3 Å²	113.3	83%	0.832	79%	0.786	S	S	*	*				138.4	149	113.4	68.4	0	0	0	0	116.9
257	A	25.3	Very low	34.9	Very low	110 Å²	110	114 Å²	114	91%	0.909	80%	0.799	S	S	*	*			trans	65.7	150.6	176	0	0	0	0	0	118.8
258	G	22.1	Very low	32.4	Very low	71 Å²	71	112.3 Å²	112.3	73%	0.732	81%	0.808	S	S	*	*			trans	-138.7	-153.7	177.4	0	0	0	0	0	110.7
259	P	37.2	Very low	30.1	Very low	134 Å²	134	118.6 Å²	118.6	87%	0.87	83%	0.831	S	S	*	*			cis	-127.7	-155.9	6.7	43.7	-27.9	0	0	0	113.5
260	A	24.1	Very low	29.2	Very low	102 Å²	102	118.8 Å²	118.8	84%	0.843	82%	0.823	S	S	*	*			trans	89	100.4	169.8	0	0	0	0	0	118.3
261	A	26.9	Very low	28.9	Very low	95 Å²	95	118.6 Å²	118.6	79%	0.785	82%	0.821	S	S	*	*			trans	-153.1	145.3	157.2	0	0	0	0	0	109.3
262	P	29.7	Very low	28.7	Very low	130 Å²	130	120.3 Å²	120.3	84%	0.844	82%	0.822	S	S	*	*			trans	-80	164.4	-179.1	32.7	-35.4	0	0	0	113.2
263	L	26.5	Very low	28.5	Very low	179 Å²	179	118.9 Å²	118.9	94%	0.937	81%	0.812	S	S	*	*			trans	-72	129.2	179	-68.4	165.6	0	0	0	112
264	A	27.4	Very low	28.4	Very low	101 Å²	101	123.2 Å²	123.2	84%	0.835	81%	0.808	S	S	*	*			trans	-135.8	125.1	161.1	0	0	0	0	0	109.1
265	L	27.7	Very low	28.8	Very low	167 Å²	167	126.7 Å²	126.7	87%	0.874	81%	0.813	S	S	*	*			trans	-101.7	117.7	-176.7	-78.5	162.5	0	0	0	111
266	S	29.5	Very low	28.8	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	81%	0.808	S	S	*	*			trans	177.3	136.3	141	-81.6	0	0	0	0	111.6
267	P	33	Very low	29	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	81%	0.806	S	S	*	*			trans	-87.3	144.5	171.2	34.3	-32.6	0	0	0	112.3
268	P	28.1	Very low	29.5	Very low	120 Å²	120	130 Å²	130	78%	0.779	80%	0.8	S	S	*	*			trans	-90.8	131.5	177.7	33.9	-32.8	0	0	0	113.2
269	Y	27.4	Very low	30	Very low	224 Å²	224	131.9 Å²	131.9	88%	0.878	80%	0.797	S	S	*	*			trans	-161.6	151.8	170.9	-99.6	-74.3	0	0	0	110.1
270	P	30.4	Very low	29.4	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	79%	0.786	S	S	*	*				-112.2	166.3	-64.2	36.9	-26	0	0	0	111.7	S272	P270-S272 PolarHBondContact O-N 3.16Å
271	A	35.2	Very low	29.8	Very low	101 Å²	101	133.5 Å²	133.5	84%	0.835	78%	0.784	S	S	*	*			trans	-81.1	117.2	175.4	0	0	0	0	0	112.3
272	S	28.7	Very low	30.4	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	78%	0.777	S	S	*	*			trans	-174.2	157.9	167.4	-93.3	0	0	0	0	112.7	P270	P270-S272 PolarHBondContact O-N 3.16Å
273	P	34.6	Very low	31.2	Very low	97 Å²	97	140.7 Å²	140.7	63%	0.63	78%	0.78	S	S	*	*				-142.1	58.1	-50.7	37.1	-16.6	0	0	0	111.6
274	Y	25.6	Very low	32.4	Very low	198 Å²	198	134 Å²	134	78%	0.776	75%	0.751	S	S	*	*			trans	-112.4	84.8	-173.9	-76.1	-73.2	0	0	0	114.8	I276	Y274-I276 HydrophobicContact CD1-CD1 3.98Å; Y274-I276 HydrophobicContact CD1-CG1 4.14Å; Y274-I276 PolarHBondContact O-N 3.36Å
275	N	33.7	Very low	34	Very low	166 Å²	166	132.8 Å²	132.8	89%	0.888	74%	0.736	S	S	*	*			trans	-67.9	109.4	146.8	-99.4	-21.7	0	0	0	108
276	I	27.8	Very low	36.1	Very low	131 Å²	131	131.2 Å²	131.2	67%	0.672	72%	0.719	S	S	*	*			trans	-124.7	88.8	163.1	-57.3	-178.8	0	0	0	107.8	Y274	Y274-I276 HydrophobicContact CD1-CD1 3.98Å; Y274-I276 HydrophobicContact CD1-CG1 4.14Å; Y274-I276 PolarHBondContact O-N 3.36Å
277	L	28.5	Very low	38	Very low	149 Å²	149	126.2 Å²	126.2	78%	0.78	68%	0.684	S	S	*	*			trans	-78.8	136.3	157.5	-85.7	166	0	0	0	108.8
278	S	35.8	Very low	39.6	Very low	111 Å²	111	129.6 Å²	129.6	78%	0.776	69%	0.69	S	S	*	*	S	Bend	trans	60.4	58.7	146.9	-49.4	0	0	0	0	118.9
279	V	31.3	Very low	41.5	Very low	112 Å²	112	129.2 Å²	129.2	68%	0.679	68%	0.678	S	S	*	*			trans	-139.1	92.8	147.4	-173.7	0	0	0	0	110.7
280	F	25.8	Very low	43.6	Very low	148 Å²	148	120.9 Å²	120.9	65%	0.649	65%	0.647	S	S	*	*	S	Bend	trans	-165.9	144.8	135.8	-79.5	-52.6	0	0	0	108.3	E282	F280-E282 PolarHBondContact O-N 3.32Å
281	P	31.9	Very low	44.9	Very low	121 Å²	121	122.5 Å²	122.5	79%	0.786	65%	0.649	S	S	*	*			trans	-77.2	113.9	175.7	-5.3	22.9	0	0	0	109.3	R283	P281-R283 PolarHBondContact O-N 2.61Å
282	E	38.9	Very low	46.3	Very low	140 Å²	140	124.7 Å²	124.7	65%	0.654	65%	0.647	S	S	*	*			trans	-55.8	115.3	172.7	-72	-175.2	152.7	0	0	109.7	F280 A284 Q324	F280-E282 PolarHBondContact O-N 3.32Å; E282-A284 PolarHBondContact O-N 2.59Å; E282-Q324 PolarHBondContact OE1-NE2 2.77Å
283	R	46.5	Very low	48.3	Very low	237 Å²	237	122.4 Å²	122.4	89%	0.894	62%	0.624	S	S	*	*			trans	-70	89.4	160.9	-87	-177.4	161.9	174	-4.2	107.3	P281 S285	P281-R283 PolarHBondContact O-N 2.61Å; R283-S285 PolarHBondContact O-N 3.3Å; R283-S285 PolarHBondContact O-OG 3.37Å
284	A	52	Low	50.3	Low	39 Å²	39	119.2 Å²	119.2	32%	0.322	60%	0.603	S	S	.	*			trans	-41.9	112.2	177.1	0	0	0	0	0	109.8	E282 Y286 V294	E282-A284 PolarHBondContact O-N 2.59Å; A284-Y286 HydrophobicContact CB-CE2 4.26Å; A284-Y286 VanDerWaalsContact O-CD2 3.23Å; A284-Y286 WeakPolarHBondContact O-CD2 3.2Å; A284-Y286 VanDerWaalsContact O-CE2 3.25Å; A284-Y286 WeakPolarHBondContact O-CE2 3.36Å; A284-Y286 PolarHBondContact O-N 3.09Å; A284-V294 HydrophobicContact CB-CG1 4.02Å; A284-V294 HydrophobicContact CB-CG2 4.02Å
285	S	62.1	Low	52.7	Low	75 Å²	75	111.2 Å²	111.2	52%	0.524	57%	0.573	S	S	.	*			trans	-85.1	111.7	179.8	-68.8	0	0	0	0	107.4	R283 L295	R283-S285 PolarHBondContact O-N 3.3Å; R283-S285 PolarHBondContact O-OG 3.37Å; S285-L295 WeakPolarHBondContact O-CB 3.4Å; S285-L295 WeakPolarHBondContact O-CG 3.45Å; S285-L295 PolarHBondContact O-N 2.98Å
286	Y	70.6	Confident	54.8	Low	134 Å²	134	108.2 Å²	108.2	53%	0.525	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.8	153.6	-177.4	-62.8	-83.3	0	0	0	111.7	A284 E293 V294	A284-Y286 HydrophobicContact CB-CE2 4.26Å; A284-Y286 VanDerWaalsContact O-CD2 3.23Å; A284-Y286 WeakPolarHBondContact O-CD2 3.2Å; A284-Y286 VanDerWaalsContact O-CE2 3.25Å; A284-Y286 WeakPolarHBondContact O-CE2 3.36Å; A284-Y286 PolarHBondContact O-N 3.09Å; Y286-E293 CarbonylContact C-O 3.46Å; Y286-E293 WeakPolarHBondContact CA-O 3.36Å; Y286-V294 HydrophobicContact CD1-CG2 4.05Å; Y286-V294 HydrophobicContact CE1-CG2 3.78Å
287	C	70.3	Confident	57.3	Low	11 Å²	11	103.8 Å²	103.8	7%	0.074	53%	0.53	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.6	180	-169.1	0	0	0	0	111.7	H289 H290 E293 L295 C307 C310	C287-H289 PolarHBondContact O-N 3.5Å; C287-H290 HydrophobicContact CB-CB 4.23Å; C287-H290 PolarHBondContact O-N 3.43Å; C287-E293 PolarHBondContact N-O 3.24Å; C287-L295 HydrophobicContact CB-CD2 4Å; C287-C307 HydrophobicContact CB-CB 3.95Å; C287-C307 VanDerWaalsContact SG-SG 3.63Å; C287-C310 VanDerWaalsContact SG-SG 3.7Å
288	Q	67	Low	59.8	Low	185 Å²	185	99.9 Å²	99.9	86%	0.864	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	5.1	177.7	-59.8	-178.5	10.8	0	0	114.5
289	H	67.8	Low	62	Low	113 Å²	113	94.6 Å²	94.6	52%	0.523	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.3	-11.7	-177.7	-68.9	-13.9	0	0	0	113.7	C287 R314	C287-H289 PolarHBondContact O-N 3.5Å; H289-R314 PolarHBondContact CD2-NH1 2.75Å; H289-R314 PolarHBondContact NE2-NH1 2.85Å
290	H	70.6	Confident	64.1	Low	49 Å²	49	92 Å²	92	23%	0.227	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	95.1	178	-51.9	107.6	0	0	0	105.5	C287 E293 C307 E309 C310	C287-H290 HydrophobicContact CB-CB 4.23Å; C287-H290 PolarHBondContact O-N 3.43Å; H290-E293 HydrophobicContact CB-CB 3.99Å; H290-E293 HydrophobicContact CB-CG 4.46Å; H290-E293 PolarHBondContact O-N 2.95Å; H290-C307 PolarHBondContact ND1-SG 3.45Å; H290-C307 VanDerWaalsContact ND1-SG 3.39Å; H290-E309 IonicContact CD2-OE2 3.34Å; H290-E309 PolarHBondContact CD2-OE2 3.4Å; H290-E309 VanDerWaalsContact CD2-OE2 3.31Å; H290-E309 IonicContact CG-OE2 3.16Å; H290-C310 PolarHBondContact CE1-SG 3.29Å; H290-C310 PolarHBondContact ND1-SG 2.97Å
291	D	58.7	Low	66.6	Low	145 Å²	145	89.1 Å²	89.1	78%	0.775	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	149.8	-179.9	-62.8	-55.7	0	0	0	110.1	E293	D291-E293 PolarHBondContact O-N 2.89Å
292	D	64.4	Low	68.6	Low	148 Å²	148	85.8 Å²	85.8	79%	0.791	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62.5	-10.9	-171.7	-58.8	-33	0	0	0	117.5
293	E	71.3	Confident	70.5	Confident	61 Å²	61	83 Å²	83	29%	0.285	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.1	176.2	-97.5	-77.8	122.5	0	0	113.4	Y286 C287 H290 D291 C307 R308 E309	Y286-E293 CarbonylContact C-O 3.46Å; Y286-E293 WeakPolarHBondContact CA-O 3.36Å; C287-E293 PolarHBondContact N-O 3.24Å; H290-E293 HydrophobicContact CB-CB 3.99Å; H290-E293 HydrophobicContact CB-CG 4.46Å; H290-E293 PolarHBondContact O-N 2.95Å; D291-E293 PolarHBondContact O-N 2.89Å; E293-C307 HydrophobicContact CB-CB 4.02Å; E293-R308 PolarHBondContact OE2-N 3.34Å; E293-E309 HydrophobicContact CG-CG 4.14Å
294	V	75.2	Confident	71.9	Confident	31 Å²	31	74.5 Å²	74.5	19%	0.188	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.1	-174.9	-177.8	0	0	0	0	112.4	A284 Y286 H296 C307	A284-V294 HydrophobicContact CB-CG1 4.02Å; A284-V294 HydrophobicContact CB-CG2 4.02Å; Y286-V294 HydrophobicContact CD1-CG2 4.05Å; Y286-V294 HydrophobicContact CE1-CG2 3.78Å; V294-H296 PolarHBondContact O-N 3.33Å; V294-C307 WeakPolarHBondContact O-CA 3.33Å; V294-C307 VanDerWaalsContact O-CB 3.25Å; V294-C307 WeakPolarHBondContact O-CB 3.42Å
295	L	77.4	Confident	73.2	Confident	30 Å²	30	75.5 Å²	75.5	16%	0.157	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	103.6	174.5	-59.9	174.5	0	0	0	110.7	S285 C287 P305 C307 L323	S285-L295 WeakPolarHBondContact O-CB 3.4Å; S285-L295 WeakPolarHBondContact O-CG 3.45Å; S285-L295 PolarHBondContact O-N 2.98Å; C287-L295 HydrophobicContact CB-CD2 4Å; L295-P305 HydrophobicContact CB-CB 4.41Å; L295-P305 HydrophobicContact CD1-CB 4.22Å; L295-P305 HydrophobicContact CD1-CG 4.16Å; L295-C307 HydrophobicContact CD2-CB 4.3Å; L295-L323 HydrophobicContact CB-CD2 4.46Å; L295-L323 WeakPolarHBondContact O-CD2 3.3Å
296	H	77.6	Confident	73.9	Confident	102 Å²	102	72.1 Å²	72.1	47%	0.472	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-14.5	-178	-79.9	-64.8	0	0	0	114.8	V294 I306 L323	V294-H296 PolarHBondContact O-N 3.33Å; H296-I306 PolarHBondContact N-O 2.87Å; H296-L323 WeakPolarHBondContact O-CB 3.15Å; H296-L323 PolarHBondContact O-N 3.46Å
297	F	79.3	Confident	74.4	Confident	39 Å²	39	65.8 Å²	65.8	17%	0.171	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.4	-176.6	-55.1	-80.2	0	0	0	111.1	P305 I306 T311 F320 I321 Y322	F297-P305 CarbonylContact O-C 3.59Å; F297-P305 WeakPolarHBondContact O-CA 3.33Å; F297-I306 HydrophobicContact CB-CG1 3.97Å; F297-I306 PolarHBondContact N-O 3.2Å; F297-I306 VanDerWaalsContact N-O 3.09Å; F297-I306 PolarHBondContact O-N 3.39Å; F297-T311 HydrophobicContact CD2-CG2 4.31Å; F297-F320 HydrophobicContact CB-CD2 3.93Å; F297-F320 AromaticContact CD1-CD2 3.73Å; F297-F320 HydrophobicContact CD1-CD2 3.73Å; F297-F320 AromaticContact CD1-CE2 3.91Å; F297-F320 HydrophobicContact CD1-CE2 3.91Å; F297-F320 HydrophobicContact CE1-CD2 4.44Å; F297-F320 HydrophobicContact CE1-CE2 4.18Å; F297-F320 AromaticContact CG-CD2 3.89Å; F297-F320 HydrophobicContact CG-CD2 3.89Å; F297-F320 HydrophobicContact CG-CE2 4.18Å; F297-I321 CarbonylContact C-O 3.54Å; F297-I321 VanDerWaalsContact CA-O 3.25Å; F297-I321 WeakPolarHBondContact CA-O 3.4Å; F297-I321 WeakPolarHBondContact CB-O 3.47Å; F297-Y322 AromaticContact CD1-CD1 3.99Å; F297-Y322 HydrophobicContact CD1-CD1 3.99Å; F297-Y322 HydrophobicContact CD1-CE1 4.26Å; F297-Y322 AromaticContact CE1-CD1 3.68Å; F297-Y322 HydrophobicContact CE1-CD1 3.68Å; F297-Y322 AromaticContact CE1-CE1 3.5Å; F297-Y322 HydrophobicContact CE1-CE1 3.5Å; F297-Y322 VanDerWaalsContact CE1-CE1 3.5Å; F297-Y322 HydrophobicContact CZ-CE1 4.23Å
298	Y	81.8	Confident	74.8	Confident	67 Å²	67	73.4 Å²	73.4	26%	0.263	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.7	169.5	-176.9	-99.5	0	0	0	109.3	S303 F320 I321 L323 A326	Y298-S303 VanDerWaalsContact OH-CA 3.24Å; Y298-S303 WeakPolarHBondContact OH-CA 3.47Å; Y298-S303 WeakPolarHBondContact OH-CB 3.38Å; Y298-S303 PolarHBondContact OH-O 3.46Å; Y298-F320 CarbonylContact O-C 3.57Å; Y298-F320 WeakPolarHBondContact O-CA 3.47Å; Y298-F320 WeakPolarHBondContact O-CB 3.3Å; Y298-I321 PolarHBondContact N-O 3.01Å; Y298-I321 PolarHBondContact O-N 2.9Å; Y298-L323 HydrophobicContact CD2-CD1 4.34Å; Y298-A326 VanDerWaalsContact CB-CB 3.49Å; Y298-A326 HydrophobicContact CD1-CB 3.96Å; Y298-A326 HydrophobicContact CG-CB 3.78Å
299	C	80.7	Confident	75.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.9	-179.7	179.8	0	0	0	0	110.6	T301 C302 S303 V304 I306 H315 H318 S319 F320	C299-T301 VanDerWaalsContact C-N 3.31Å; C299-T301 PolarHBondContact O-N 2.82Å; C299-C302 CarbonylContact O-C 3.53Å; C299-C302 PolarHBondContact O-N 3.27Å; C299-S303 WeakPolarHBondContact O-CA 3.49Å; C299-S303 PolarHBondContact O-N 3.29Å; C299-V304 PolarHBondContact N-O 3.06Å; C299-V304 PolarHBondContact O-N 3.25Å; C299-I306 HydrophobicContact CB-CD1 3.85Å; C299-I306 HydrophobicContact CB-CG1 4.23Å; C299-I306 HydrophobicContact CB-CG2 4.25Å; C299-H315 PolarHBondContact SG-ND1 2.68Å; C299-H315 VanDerWaalsContact SG-ND1 3.39Å; C299-H318 VanDerWaalsContact SG-CB 3.58Å; C299-S319 CarbonylContact C-O 3.52Å; C299-S319 WeakPolarHBondContact CA-O 3.36Å; C299-S319 PolarHBondContact SG-O 3.26Å; C299-F320 HydrophobicContact CB-CB 4.35Å
300	D	77.3	Confident	75.7	Confident	58 Å²	58	64 Å²	64	31%	0.31	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.1	-45.1	-176.3	-41.5	-61.3	0	0	0	111.2	C302 S303 S319	D300-C302 PolarHBondContact O-N 2.85Å; D300-S303 PolarHBondContact O-N 2.84Å; D300-S303 PolarHBondContact O-OG 2.83Å; D300-S319 PolarHBondContact N-O 3.08Å; D300-S319 VanDerWaalsContact N-O 3.1Å; D300-S319 VanDerWaalsContact OD2-CB 3.22Å; D300-S319 WeakPolarHBondContact OD2-CB 3.31Å; D300-S319 PolarHBondContact OD2-OG 3.02Å
301	T	76.6	Confident	76	Confident	86 Å²	86	62.8 Å²	62.8	53%	0.528	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.3	-177	-44.8	0	0	0	0	113.4	C299 H318 S319	C299-T301 VanDerWaalsContact C-N 3.31Å; C299-T301 PolarHBondContact O-N 2.82Å; T301-H318 HydrophobicContact CG2-CB 4.31Å; T301-S319 PolarHBondContact OG1-N 3.5Å
302	C	75	Confident	76.7	Confident	51 Å²	51	62.5 Å²	62.5	35%	0.345	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-114.6	-4.4	177.2	-61.5	0	0	0	0	113.5	C299 D300 V304 H315 H318	C299-C302 CarbonylContact O-C 3.53Å; C299-C302 PolarHBondContact O-N 3.27Å; D300-C302 PolarHBondContact O-N 2.85Å; C302-V304 VanDerWaalsContact C-N 3.27Å; C302-V304 HydrophobicContact CB-CG2 3.71Å; C302-V304 PolarHBondContact O-N 2.91Å; C302-H315 PolarHBondContact SG-ND1 3.17Å; C302-H318 PolarHBondContact SG-CE1 2.74Å; C302-H318 PolarHBondContact SG-ND1 3.09Å
303	S	78.1	Confident	77.4	Confident	81 Å²	81	57.9 Å²	57.9	57%	0.566	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	38.9	-174.9	-56.7	0	0	0	0	114.7	Y298 C299 D300	Y298-S303 VanDerWaalsContact OH-CA 3.24Å; Y298-S303 WeakPolarHBondContact OH-CA 3.47Å; Y298-S303 WeakPolarHBondContact OH-CB 3.38Å; Y298-S303 PolarHBondContact OH-O 3.46Å; C299-S303 WeakPolarHBondContact O-CA 3.49Å; C299-S303 PolarHBondContact O-N 3.29Å; D300-S303 PolarHBondContact O-N 2.84Å; D300-S303 PolarHBondContact O-OG 2.83Å
304	V	76.4	Confident	77.5	Confident	60 Å²	60	63.3 Å²	63.3	36%	0.364	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147	-179.1	-70.1	0	0	0	0	112.9	C299 C302 I306	C299-V304 PolarHBondContact N-O 3.06Å; C299-V304 PolarHBondContact O-N 3.25Å; C302-V304 VanDerWaalsContact C-N 3.27Å; C302-V304 HydrophobicContact CB-CG2 3.71Å; C302-V304 PolarHBondContact O-N 2.91Å; V304-I306 HydrophobicContact CG2-CG2 4.14Å
305	P	78.8	Confident	77.4	Confident	60 Å²	60	63 Å²	63	39%	0.39	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	141.7	168.4	31.6	-35.2	0	0	0	110.9	L295 F297 L323	L295-P305 HydrophobicContact CB-CB 4.41Å; L295-P305 HydrophobicContact CD1-CB 4.22Å; L295-P305 HydrophobicContact CD1-CG 4.16Å; F297-P305 CarbonylContact O-C 3.59Å; F297-P305 WeakPolarHBondContact O-CA 3.33Å; P305-L323 HydrophobicContact CB-CD1 4Å; P305-L323 HydrophobicContact CB-CD2 4.31Å
306	I	77.8	Confident	77.3	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.5	-177.5	62.7	169.9	0	0	0	112.1	H296 F297 C299 V304 C310 T311 H315 F320	H296-I306 PolarHBondContact N-O 2.87Å; F297-I306 HydrophobicContact CB-CG1 3.97Å; F297-I306 PolarHBondContact N-O 3.2Å; F297-I306 VanDerWaalsContact N-O 3.09Å; F297-I306 PolarHBondContact O-N 3.39Å; C299-I306 HydrophobicContact CB-CD1 3.85Å; C299-I306 HydrophobicContact CB-CG1 4.23Å; C299-I306 HydrophobicContact CB-CG2 4.25Å; V304-I306 HydrophobicContact CG2-CG2 4.14Å; I306-C310 HydrophobicContact CB-CB 3.69Å; I306-C310 HydrophobicContact CD1-CB 4.48Å; I306-C310 HydrophobicContact CG2-CB 4.11Å; I306-T311 HydrophobicContact CD1-CG2 3.64Å; I306-T311 HydrophobicContact CG1-CG2 4.39Å; I306-H315 HydrophobicContact CD1-CB 4.1Å; I306-F320 HydrophobicContact CD1-CB 4.44Å
307	C	80.3	Confident	77.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	178.3	169.9	67.3	0	0	0	0	110.9	C287 H290 E293 V294 L295 E309 C310	C287-C307 HydrophobicContact CB-CB 3.95Å; C287-C307 VanDerWaalsContact SG-SG 3.63Å; H290-C307 PolarHBondContact ND1-SG 3.45Å; H290-C307 VanDerWaalsContact ND1-SG 3.39Å; E293-C307 HydrophobicContact CB-CB 4.02Å; V294-C307 WeakPolarHBondContact O-CA 3.33Å; V294-C307 VanDerWaalsContact O-CB 3.25Å; V294-C307 WeakPolarHBondContact O-CB 3.42Å; L295-C307 HydrophobicContact CD2-CB 4.3Å; C307-E309 PolarHBondContact O-N 3.08Å; C307-C310 PolarHBondContact O-N 3.48Å
308	R	78.9	Confident	77.3	Confident	172 Å²	172	66.7 Å²	66.7	65%	0.649	37%	0.372	S	S	*	.	H	α-helix	trans	-63	-44.5	-177.8	-172.5	178.4	-179.8	178.3	-0.2	111.6	E293 C310 T311	E293-R308 PolarHBondContact OE2-N 3.34Å; R308-C310 VanDerWaalsContact C-N 3.33Å; R308-C310 PolarHBondContact O-N 3.42Å; R308-T311 WeakPolarHBondContact O-CB 3.47Å; R308-T311 PolarHBondContact O-N 3.43Å; R308-T311 PolarHBondContact O-OG1 3.2Å
309	E	77.7	Confident	77.3	Confident	94 Å²	94	66.8 Å²	66.8	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-36.6	-179.4	-59.4	-158.3	138.1	0	0	113	H290 E293 C307 T311 M312 G313	H290-E309 IonicContact CD2-OE2 3.34Å; H290-E309 PolarHBondContact CD2-OE2 3.4Å; H290-E309 VanDerWaalsContact CD2-OE2 3.31Å; H290-E309 IonicContact CG-OE2 3.16Å; E293-E309 HydrophobicContact CG-CG 4.14Å; C307-E309 PolarHBondContact O-N 3.08Å; E309-T311 PolarHBondContact O-N 2.89Å; E309-M312 PolarHBondContact O-N 3.16Å; E309-G313 PolarHBondContact O-N 2.87Å
310	C	76.1	Confident	77.3	Confident	6 Å²	6	70.7 Å²	70.7	4%	0.041	40%	0.399	C	S	.	.	H	α-helix	trans	-57	-32.9	175.4	-83.4	0	0	0	0	113.5	C287 H290 I306 C307 R308 M312 G313 R314 H315	C287-C310 VanDerWaalsContact SG-SG 3.7Å; H290-C310 PolarHBondContact CE1-SG 3.29Å; H290-C310 PolarHBondContact ND1-SG 2.97Å; I306-C310 HydrophobicContact CB-CB 3.69Å; I306-C310 HydrophobicContact CD1-CB 4.48Å; I306-C310 HydrophobicContact CG2-CB 4.11Å; C307-C310 PolarHBondContact O-N 3.48Å; R308-C310 VanDerWaalsContact C-N 3.33Å; R308-C310 PolarHBondContact O-N 3.42Å; C310-M312 VanDerWaalsContact C-N 3.28Å; C310-M312 PolarHBondContact O-N 2.75Å; C310-G313 PolarHBondContact O-N 3.39Å; C310-R314 PolarHBondContact O-N 2.94Å; C310-H315 PolarHBondContact O-N 3.43Å
311	T	76.3	Confident	77.6	Confident	24 Å²	24	71 Å²	71	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-63.6	-33.6	176.4	70.1	0	0	0	0	112.5	F297 I306 R308 E309 F320	F297-T311 HydrophobicContact CD2-CG2 4.31Å; I306-T311 HydrophobicContact CD1-CG2 3.64Å; I306-T311 HydrophobicContact CG1-CG2 4.39Å; R308-T311 WeakPolarHBondContact O-CB 3.47Å; R308-T311 PolarHBondContact O-N 3.43Å; R308-T311 PolarHBondContact O-OG1 3.2Å; E309-T311 PolarHBondContact O-N 2.89Å; T311-F320 HydrophobicContact CG2-CD1 4.2Å; T311-F320 HydrophobicContact CG2-CD2 4.3Å; T311-F320 HydrophobicContact CG2-CE1 3.82Å; T311-F320 HydrophobicContact CG2-CE2 3.93Å; T311-F320 HydrophobicContact CG2-CG 4.43Å; T311-F320 HydrophobicContact CG2-CZ 3.67Å
312	M	74.7	Confident	78	Confident	139 Å²	139	74 Å²	74	69%	0.685	40%	0.403	S	S	*	.	H	α-helix	trans	-95.4	-15.1	-177.3	-56.5	-166.7	-58	0	0	113.1	E309 C310 V316	E309-M312 PolarHBondContact O-N 3.16Å; C310-M312 VanDerWaalsContact C-N 3.28Å; C310-M312 PolarHBondContact O-N 2.75Å; M312-V316 WeakPolarHBondContact O-CG2 3.48Å
313	G	78.3	Confident	78.1	Confident	51 Å²	51	73.3 Å²	73.3	53%	0.526	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-83.3	178.2	0	0	0	0	0	113.5	E309 C310	E309-G313 PolarHBondContact O-N 2.87Å; C310-G313 PolarHBondContact O-N 3.39Å
314	R	73.1	Confident	78	Confident	174 Å²	174	75.3 Å²	75.3	66%	0.657	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-14.1	-168.8	-64.9	-172.4	-177.9	-172.8	3.8	115	H289 C310	H289-R314 PolarHBondContact CD2-NH1 2.75Å; H289-R314 PolarHBondContact NE2-NH1 2.85Å; C310-R314 PolarHBondContact O-N 2.94Å
315	H	72.8	Confident	78.1	Confident	26 Å²	26	76.8 Å²	76.8	12%	0.12	40%	0.402	C	S	.	.	S	Bend	trans	-116.8	25.4	-176.9	-60.7	-105.8	0	0	0	112.5	C299 C302 I306 C310 G317 H318	C299-H315 PolarHBondContact SG-ND1 2.68Å; C299-H315 VanDerWaalsContact SG-ND1 3.39Å; C302-H315 PolarHBondContact SG-ND1 3.17Å; I306-H315 HydrophobicContact CD1-CB 4.1Å; C310-H315 PolarHBondContact O-N 3.43Å; H315-G317 PolarHBondContact O-N 3.16Å; H315-H318 HydrophobicContact CB-CB 4.33Å; H315-H318 AromaticContact ND1-ND1 3.78Å; H315-H318 WeakPolarHBondContact O-CB 3.46Å; H315-H318 PolarHBondContact O-N 3.48Å; H315-H318 VanDerWaalsContact O-N 3.09Å
316	V	75.1	Confident	78	Confident	98 Å²	98	74.6 Å²	74.6	59%	0.594	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	121.2	179.1	176.5	0	0	0	0	110.4	M312	M312-V316 WeakPolarHBondContact O-CG2 3.48Å
317	G	74.3	Confident	78.1	Confident	82 Å²	82	79.4 Å²	79.4	85%	0.845	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	3.7	-178.7	0	0	0	0	0	115	H315	H315-G317 PolarHBondContact O-N 3.16Å
318	H	83.5	Confident	78	Confident	68 Å²	68	84.4 Å²	84.4	32%	0.315	44%	0.437	S	S	.	.			trans	-86.6	155.1	171.6	-64.9	167.2	0	0	0	112	C299 T301 C302 H315	C299-H318 VanDerWaalsContact SG-CB 3.58Å; T301-H318 HydrophobicContact CG2-CB 4.31Å; C302-H318 PolarHBondContact SG-CE1 2.74Å; C302-H318 PolarHBondContact SG-ND1 3.09Å; H315-H318 HydrophobicContact CB-CB 4.33Å; H315-H318 AromaticContact ND1-ND1 3.78Å; H315-H318 WeakPolarHBondContact O-CB 3.46Å; H315-H318 PolarHBondContact O-N 3.48Å; H315-H318 VanDerWaalsContact O-N 3.09Å
319	S	80.9	Confident	77.9	Confident	68 Å²	68	81.6 Å²	81.6	48%	0.476	44%	0.435	S	S	.	.			trans	-72.5	140.6	170.1	-173.4	0	0	0	0	110.2	C299 D300 T301	C299-S319 CarbonylContact C-O 3.52Å; C299-S319 WeakPolarHBondContact CA-O 3.36Å; C299-S319 PolarHBondContact SG-O 3.26Å; D300-S319 PolarHBondContact N-O 3.08Å; D300-S319 VanDerWaalsContact N-O 3.1Å; D300-S319 VanDerWaalsContact OD2-CB 3.22Å; D300-S319 WeakPolarHBondContact OD2-CB 3.31Å; D300-S319 PolarHBondContact OD2-OG 3.02Å; T301-S319 PolarHBondContact OG1-N 3.5Å
320	F	81.4	Confident	77.8	Confident	82 Å²	82	80.1 Å²	80.1	36%	0.36	44%	0.435	S	S	.	.			trans	-151.3	149.5	168.5	62.4	-92.3	0	0	0	111.9	F297 Y298 C299 I306 T311	F297-F320 HydrophobicContact CB-CD2 3.93Å; F297-F320 AromaticContact CD1-CD2 3.73Å; F297-F320 HydrophobicContact CD1-CD2 3.73Å; F297-F320 AromaticContact CD1-CE2 3.91Å; F297-F320 HydrophobicContact CD1-CE2 3.91Å; F297-F320 HydrophobicContact CE1-CD2 4.44Å; F297-F320 HydrophobicContact CE1-CE2 4.18Å; F297-F320 AromaticContact CG-CD2 3.89Å; F297-F320 HydrophobicContact CG-CD2 3.89Å; F297-F320 HydrophobicContact CG-CE2 4.18Å; Y298-F320 CarbonylContact O-C 3.57Å; Y298-F320 WeakPolarHBondContact O-CA 3.47Å; Y298-F320 WeakPolarHBondContact O-CB 3.3Å; C299-F320 HydrophobicContact CB-CB 4.35Å; I306-F320 HydrophobicContact CD1-CB 4.44Å; T311-F320 HydrophobicContact CG2-CD1 4.2Å; T311-F320 HydrophobicContact CG2-CD2 4.3Å; T311-F320 HydrophobicContact CG2-CE1 3.82Å; T311-F320 HydrophobicContact CG2-CE2 3.93Å; T311-F320 HydrophobicContact CG2-CG 4.43Å; T311-F320 HydrophobicContact CG2-CZ 3.67Å
321	I	84.2	Confident	78	Confident	65 Å²	65	86.9 Å²	86.9	33%	0.333	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	172.9	176.9	56.4	172.2	0	0	0	110	F297 Y298 A326	F297-I321 CarbonylContact C-O 3.54Å; F297-I321 VanDerWaalsContact CA-O 3.25Å; F297-I321 WeakPolarHBondContact CA-O 3.4Å; F297-I321 WeakPolarHBondContact CB-O 3.47Å; Y298-I321 PolarHBondContact N-O 3.01Å; Y298-I321 PolarHBondContact O-N 2.9Å; I321-A326 HydrophobicContact CD1-CB 3.65Å; I321-A326 HydrophobicContact CG1-CB 3.97Å
322	Y	83.8	Confident	78.1	Confident	149 Å²	149	89.4 Å²	89.4	58%	0.584	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.9	173.4	-69.4	-73.1	0	0	0	110.7	F297 Q324 D325 A326	F297-Y322 AromaticContact CD1-CD1 3.99Å; F297-Y322 HydrophobicContact CD1-CD1 3.99Å; F297-Y322 HydrophobicContact CD1-CE1 4.26Å; F297-Y322 AromaticContact CE1-CD1 3.68Å; F297-Y322 HydrophobicContact CE1-CD1 3.68Å; F297-Y322 AromaticContact CE1-CE1 3.5Å; F297-Y322 HydrophobicContact CE1-CE1 3.5Å; F297-Y322 VanDerWaalsContact CE1-CE1 3.5Å; F297-Y322 HydrophobicContact CZ-CE1 4.23Å; Y322-Q324 VanDerWaalsContact C-N 3.28Å; Y322-Q324 PolarHBondContact O-N 3.46Å; Y322-D325 PolarHBondContact O-N 2.95Å; Y322-A326 PolarHBondContact O-N 3.09Å
323	L	77.5	Confident	78.3	Confident	37 Å²	37	87.4 Å²	87.4	19%	0.194	47%	0.467	C	S	.	.	H	α-helix	trans	-63.8	-33.7	-175.7	-176.5	59.5	0	0	0	112.4	L295 H296 Y298 P305 L327	L295-L323 HydrophobicContact CB-CD2 4.46Å; L295-L323 WeakPolarHBondContact O-CD2 3.3Å; H296-L323 WeakPolarHBondContact O-CB 3.15Å; H296-L323 PolarHBondContact O-N 3.46Å; Y298-L323 HydrophobicContact CD2-CD1 4.34Å; P305-L323 HydrophobicContact CB-CD1 4Å; P305-L323 HydrophobicContact CB-CD2 4.31Å; L323-L327 HydrophobicContact CD1-CD1 4.38Å; L323-L327 HydrophobicContact CD1-CG 4.31Å; L323-L327 HydrophobicContact CG-CD1 4.01Å; L323-L327 HydrophobicContact CG-CG 4.42Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 WeakPolarHBondContact O-CD1 3.41Å; L323-L327 WeakPolarHBondContact O-CG 3.45Å; L323-L327 PolarHBondContact O-N 2.88Å
324	Q	76.8	Confident	78.3	Confident	122 Å²	122	88.9 Å²	88.9	57%	0.57	47%	0.466	S	S	*	.	H	α-helix	trans	-67	-41.6	177.1	-70.4	179	-10.2	0	0	112.3	E282 Y322 L327 Q328	E282-Q324 PolarHBondContact OE1-NE2 2.77Å; Y322-Q324 VanDerWaalsContact C-N 3.28Å; Y322-Q324 PolarHBondContact O-N 3.46Å; Q324-L327 PolarHBondContact O-N 3.03Å; Q324-Q328 WeakPolarHBondContact O-CB 3.5Å; Q324-Q328 PolarHBondContact O-N 2.96Å
325	D	78	Confident	78.8	Confident	92 Å²	92	85.5 Å²	85.5	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-63.9	-47.7	174.9	-60.7	-30.4	0	0	0	110.5	Y322 L327 Q328 D329	Y322-D325 PolarHBondContact O-N 2.95Å; D325-L327 VanDerWaalsContact C-N 3.3Å; D325-L327 PolarHBondContact O-N 2.74Å; D325-Q328 PolarHBondContact O-N 2.97Å; D325-Q328 VanDerWaalsContact O-N 3.08Å; D325-D329 PolarHBondContact O-N 2.85Å
326	A	77.2	Confident	79.3	Confident	13 Å²	13	89.8 Å²	89.8	11%	0.107	48%	0.48	C	S	.	.	H	α-helix	trans	-57.7	-40.5	176.5	0	0	0	0	0	112.9	Y298 I321 Y322 S330	Y298-A326 VanDerWaalsContact CB-CB 3.49Å; Y298-A326 HydrophobicContact CD1-CB 3.96Å; Y298-A326 HydrophobicContact CG-CB 3.78Å; I321-A326 HydrophobicContact CD1-CB 3.65Å; I321-A326 HydrophobicContact CG1-CB 3.97Å; Y322-A326 PolarHBondContact O-N 3.09Å; A326-S330 WeakPolarHBondContact O-CB 3.25Å; A326-S330 PolarHBondContact O-N 3.1Å
327	L	78.9	Confident	79.7	Confident	105 Å²	105	90 Å²	90	55%	0.55	48%	0.477	S	S	.	.	H	α-helix	trans	-67.5	-38	176.1	-76.2	168.8	0	0	0	111.8	L323 Q324 D325 R331	L323-L327 HydrophobicContact CD1-CD1 4.38Å; L323-L327 HydrophobicContact CD1-CG 4.31Å; L323-L327 HydrophobicContact CG-CD1 4.01Å; L323-L327 HydrophobicContact CG-CG 4.42Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 WeakPolarHBondContact O-CD1 3.41Å; L323-L327 WeakPolarHBondContact O-CG 3.45Å; L323-L327 PolarHBondContact O-N 2.88Å; Q324-L327 PolarHBondContact O-N 3.03Å; D325-L327 VanDerWaalsContact C-N 3.3Å; D325-L327 PolarHBondContact O-N 2.74Å; L327-R331 WeakPolarHBondContact O-CB 3.48Å; L327-R331 PolarHBondContact O-N 3.32Å
328	Q	77.8	Confident	80.2	Confident	106 Å²	106	90.8 Å²	90.8	50%	0.495	46%	0.461	S	S	.	.	H	α-helix	trans	-72.3	-40.5	179.5	-175.3	63.3	5.8	0	0	112.4	Q324 D325 R331 T332	Q324-Q328 WeakPolarHBondContact O-CB 3.5Å; Q324-Q328 PolarHBondContact O-N 2.96Å; D325-Q328 PolarHBondContact O-N 2.97Å; D325-Q328 VanDerWaalsContact O-N 3.08Å; Q328-R331 PolarHBondContact O-N 2.71Å; Q328-T332 WeakPolarHBondContact O-CB 3.42Å; Q328-T332 PolarHBondContact O-N 3.37Å; Q328-T332 PolarHBondContact O-OG1 3.25Å
329	D	76.8	Confident	80.3	Confident	112 Å²	112	90.1 Å²	90.1	60%	0.599	47%	0.467	S	S	*	.	H	α-helix	trans	-66.3	-46.1	173	-80	-12.3	0	0	0	111.1	D325 R331 T332 L333	D325-D329 PolarHBondContact O-N 2.85Å; D329-R331 VanDerWaalsContact C-N 3.33Å; D329-R331 PolarHBondContact O-N 3.36Å; D329-T332 PolarHBondContact O-N 2.89Å; D329-T332 VanDerWaalsContact O-N 3.16Å; D329-L333 WeakPolarHBondContact O-CB 3.25Å; D329-L333 PolarHBondContact O-N 2.83Å
330	S	77.2	Confident	80.5	Confident	64 Å²	64	90.7 Å²	90.7	45%	0.448	47%	0.465	S	S	.	.	H	α-helix	trans	-60.9	-39.7	175.8	-177.2	0	0	0	0	112.3	A326 T334	A326-S330 WeakPolarHBondContact O-CB 3.25Å; A326-S330 PolarHBondContact O-N 3.1Å; S330-T334 VanDerWaalsContact O-CB 3.25Å; S330-T334 WeakPolarHBondContact O-CB 3.41Å; S330-T334 PolarHBondContact O-N 3.01Å; S330-T334 PolarHBondContact O-OG1 2.99Å
331	R	80.3	Confident	80.6	Confident	147 Å²	147	89.7 Å²	89.7	56%	0.555	47%	0.472	S	S	*	.	H	α-helix	trans	-62.5	-44.3	173.2	-176.4	-179.9	-167.3	165.7	8.4	111.6	L327 Q328 D329 T334 I335	L327-R331 WeakPolarHBondContact O-CB 3.48Å; L327-R331 PolarHBondContact O-N 3.32Å; Q328-R331 PolarHBondContact O-N 2.71Å; D329-R331 VanDerWaalsContact C-N 3.33Å; D329-R331 PolarHBondContact O-N 3.36Å; R331-T334 PolarHBondContact O-N 2.86Å; R331-I335 HydrophobicContact CG-CD1 4.06Å; R331-I335 VanDerWaalsContact O-CG1 3.27Å; R331-I335 WeakPolarHBondContact O-CG1 3.49Å; R331-I335 PolarHBondContact O-N 2.85Å
332	T	77.1	Confident	80.9	Confident	77 Å²	77	91.4 Å²	91.4	47%	0.472	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-47.1	178.9	-56.6	0	0	0	0	111.2	Q328 D329 T334 I335 Q336	Q328-T332 WeakPolarHBondContact O-CB 3.42Å; Q328-T332 PolarHBondContact O-N 3.37Å; Q328-T332 PolarHBondContact O-OG1 3.25Å; D329-T332 PolarHBondContact O-N 2.89Å; D329-T332 VanDerWaalsContact O-N 3.16Å; T332-T334 VanDerWaalsContact C-N 3.35Å; T332-T334 PolarHBondContact O-N 3.48Å; T332-I335 PolarHBondContact O-N 3.38Å; T332-Q336 PolarHBondContact O-N 2.88Å
333	L	78.7	Confident	81.1	Confident	98 Å²	98	90.8 Å²	90.8	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-42.3	174.7	-175.9	67.5	0	0	0	111.9	D329 I335 Q336 L337	D329-L333 WeakPolarHBondContact O-CB 3.25Å; D329-L333 PolarHBondContact O-N 2.83Å; L333-I335 VanDerWaalsContact C-N 3.35Å; L333-I335 PolarHBondContact O-N 3.46Å; L333-Q336 PolarHBondContact O-N 2.85Å; L333-L337 HydrophobicContact CG-CD1 4.07Å; L333-L337 HydrophobicContact CG-CG 4.49Å; L333-L337 WeakPolarHBondContact O-CB 3.48Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.14Å
334	T	78.8	Confident	81.5	Confident	81 Å²	81	90.6 Å²	90.6	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-37.6	178.1	-59.9	0	0	0	0	111.9	S330 R331 T332 L338	S330-T334 VanDerWaalsContact O-CB 3.25Å; S330-T334 WeakPolarHBondContact O-CB 3.41Å; S330-T334 PolarHBondContact O-N 3.01Å; S330-T334 PolarHBondContact O-OG1 2.99Å; R331-T334 PolarHBondContact O-N 2.86Å; T332-T334 VanDerWaalsContact C-N 3.35Å; T332-T334 PolarHBondContact O-N 3.48Å; T334-L338 VanDerWaalsContact O-CB 3.24Å; T334-L338 WeakPolarHBondContact O-CB 3.22Å; T334-L338 PolarHBondContact O-N 3.33Å
335	I	84.1	Confident	82.2	Confident	104 Å²	104	91 Å²	91	53%	0.533	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-41.5	173.9	-70.9	164	0	0	0	110.9	R331 T332 L333 L338 A339	R331-I335 HydrophobicContact CG-CD1 4.06Å; R331-I335 VanDerWaalsContact O-CG1 3.27Å; R331-I335 WeakPolarHBondContact O-CG1 3.49Å; R331-I335 PolarHBondContact O-N 2.85Å; T332-I335 PolarHBondContact O-N 3.38Å; L333-I335 VanDerWaalsContact C-N 3.35Å; L333-I335 PolarHBondContact O-N 3.46Å; I335-L338 PolarHBondContact O-N 2.97Å; I335-A339 PolarHBondContact O-N 3.44Å
336	Q	82.3	Confident	82.9	Confident	116 Å²	116	91.9 Å²	91.9	54%	0.542	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-49.8	175.8	-176.1	174.9	-11.9	0	0	111.7	T332 L333 L338 A339 D340	T332-Q336 PolarHBondContact O-N 2.88Å; L333-Q336 PolarHBondContact O-N 2.85Å; Q336-L338 PolarHBondContact O-N 3.35Å; Q336-A339 WeakPolarHBondContact O-CA 3.36Å; Q336-A339 WeakPolarHBondContact O-CB 2.76Å; Q336-A339 PolarHBondContact O-N 3.09Å; Q336-D340 PolarHBondContact O-N 3Å
337	L	83.4	Confident	83.3	Confident	103 Å²	103	94 Å²	94	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-58.8	-34.4	176.6	-70.1	170.7	0	0	0	112.3	L333 A341	L333-L337 HydrophobicContact CG-CD1 4.07Å; L333-L337 HydrophobicContact CG-CG 4.49Å; L333-L337 WeakPolarHBondContact O-CB 3.48Å; L333-L337 WeakPolarHBondContact O-CG 3.47Å; L333-L337 PolarHBondContact O-N 3.14Å; L337-A341 VanDerWaalsContact O-CB 3.23Å; L337-A341 WeakPolarHBondContact O-CB 3.46Å; L337-A341 PolarHBondContact O-N 3.38Å
338	L	84.9	Confident	83.8	Confident	98 Å²	98	94.1 Å²	94.1	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-69.1	-38.3	173.5	179.3	60.6	0	0	0	112.2	T334 I335 Q336 Q342	T334-L338 VanDerWaalsContact O-CB 3.24Å; T334-L338 WeakPolarHBondContact O-CB 3.22Å; T334-L338 PolarHBondContact O-N 3.33Å; I335-L338 PolarHBondContact O-N 2.97Å; Q336-L338 PolarHBondContact O-N 3.35Å; L338-Q342 HydrophobicContact CD1-CG 4.44Å; L338-Q342 WeakPolarHBondContact O-CB 3.15Å; L338-Q342 VanDerWaalsContact O-CG 3.23Å; L338-Q342 WeakPolarHBondContact O-CG 3.43Å; L338-Q342 PolarHBondContact O-N 3.1Å
339	A	85.9	Confident	84.4	Confident	53 Å²	53	93.2 Å²	93.2	44%	0.438	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-46.5	174.6	0	0	0	0	0	111.5	I335 Q336 A341 Q342 Q343	I335-A339 PolarHBondContact O-N 3.44Å; Q336-A339 WeakPolarHBondContact O-CA 3.36Å; Q336-A339 WeakPolarHBondContact O-CB 2.76Å; Q336-A339 PolarHBondContact O-N 3.09Å; A339-A341 VanDerWaalsContact C-N 3.33Å; A339-A341 PolarHBondContact O-N 2.89Å; A339-Q342 PolarHBondContact O-N 3.24Å; A339-Q342 VanDerWaalsContact O-N 3.11Å; A339-Q343 PolarHBondContact O-N 3.17Å
340	D	85.2	Confident	85.1	Confident	80 Å²	80	91.7 Å²	91.7	43%	0.428	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176.2	-64.5	-21.1	0	0	0	110.9	Q336 Q342 Q343 G344	Q336-D340 PolarHBondContact O-N 3Å; D340-Q342 PolarHBondContact O-N 3.45Å; D340-Q343 PolarHBondContact O-N 3.08Å; D340-G344 PolarHBondContact O-N 3.35Å
341	A	84.2	Confident	85.7	Confident	61 Å²	61	92 Å²	92	50%	0.504	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-36	174.8	0	0	0	0	0	113	L337 A339 R345	L337-A341 VanDerWaalsContact O-CB 3.23Å; L337-A341 WeakPolarHBondContact O-CB 3.46Å; L337-A341 PolarHBondContact O-N 3.38Å; A339-A341 VanDerWaalsContact C-N 3.33Å; A339-A341 PolarHBondContact O-N 2.89Å; A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.48Å; A341-R345 PolarHBondContact O-N 3.01Å
342	Q	89.2	Confident	86.2	Confident	102 Å²	102	89.1 Å²	89.1	48%	0.477	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-37.7	174.4	-76.3	178.4	35	0	0	112.3	L338 A339 D340 R345 Q346	L338-Q342 HydrophobicContact CD1-CG 4.44Å; L338-Q342 WeakPolarHBondContact O-CB 3.15Å; L338-Q342 VanDerWaalsContact O-CG 3.23Å; L338-Q342 WeakPolarHBondContact O-CG 3.43Å; L338-Q342 PolarHBondContact O-N 3.1Å; A339-Q342 PolarHBondContact O-N 3.24Å; A339-Q342 VanDerWaalsContact O-N 3.11Å; D340-Q342 PolarHBondContact O-N 3.45Å; Q342-R345 PolarHBondContact O-N 2.88Å; Q342-Q346 PolarHBondContact O-N 3.12Å
343	Q	89.8	Confident	86.9	Confident	136 Å²	136	90.8 Å²	90.8	64%	0.636	49%	0.489	S	S	*	.	H	α-helix	trans	-65.5	-47.1	173.7	-172.7	-178.1	12.7	0	0	111	A339 D340 R345 Q346 A347	A339-Q343 PolarHBondContact O-N 3.17Å; D340-Q343 PolarHBondContact O-N 3.08Å; Q343-R345 VanDerWaalsContact C-N 3.32Å; Q343-R345 PolarHBondContact O-N 3.21Å; Q343-Q346 PolarHBondContact O-N 2.73Å; Q343-Q346 VanDerWaalsContact O-N 3.11Å; Q343-A347 PolarHBondContact O-N 3.31Å
344	G	86	Confident	87.4	Confident	32 Å²	32	92.3 Å²	92.3	33%	0.33	49%	0.494	S	S	.	.	H	α-helix	trans	-57.9	-43.2	174.4	0	0	0	0	0	112.4	D340 Q346 A347 I348	D340-G344 PolarHBondContact O-N 3.35Å; G344-Q346 VanDerWaalsContact C-N 3.35Å; G344-Q346 PolarHBondContact O-N 3.15Å; G344-A347 PolarHBondContact O-N 3.37Å; G344-I348 VanDerWaalsContact O-CG1 3.31Å; G344-I348 WeakPolarHBondContact O-CG1 3.31Å; G344-I348 PolarHBondContact O-N 3.49Å
345	R	91.3	Very high	87.7	Confident	130 Å²	130	91.3 Å²	91.3	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-59.5	-41.7	173.5	-173.4	-168.1	65.1	69.6	15.1	112.3	A341 Q342 Q343 I348 Q349	A341-R345 VanDerWaalsContact O-CB 3.3Å; A341-R345 WeakPolarHBondContact O-CB 3.48Å; A341-R345 PolarHBondContact O-N 3.01Å; Q342-R345 PolarHBondContact O-N 2.88Å; Q343-R345 VanDerWaalsContact C-N 3.32Å; Q343-R345 PolarHBondContact O-N 3.21Å; R345-I348 PolarHBondContact O-N 2.84Å; R345-Q349 WeakPolarHBondContact O-CG 3.46Å; R345-Q349 PolarHBondContact O-N 3.4Å
346	Q	91.3	Very high	88.1	Confident	112 Å²	112	91.9 Å²	91.9	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-68	-40.3	177.1	-174.6	175.6	-1.9	0	0	112.1	Q342 Q343 G344 I348 Q349 L350	Q342-Q346 PolarHBondContact O-N 3.12Å; Q343-Q346 PolarHBondContact O-N 2.73Å; Q343-Q346 VanDerWaalsContact O-N 3.11Å; G344-Q346 VanDerWaalsContact C-N 3.35Å; G344-Q346 PolarHBondContact O-N 3.15Å; Q346-I348 VanDerWaalsContact C-N 3.33Å; Q346-I348 PolarHBondContact O-N 3.43Å; Q346-Q349 PolarHBondContact O-N 3.32Å; Q346-L350 HydrophobicContact CG-CD1 4.27Å; Q346-L350 WeakPolarHBondContact O-CG 3.32Å; Q346-L350 PolarHBondContact O-N 2.96Å
347	A	87.1	Confident	88.5	Confident	58 Å²	58	89.1 Å²	89.1	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-41.1	174.7	0	0	0	0	0	111.9	Q343 G344 L350 S351	Q343-A347 PolarHBondContact O-N 3.31Å; G344-A347 PolarHBondContact O-N 3.37Å; A347-L350 PolarHBondContact O-N 2.95Å; A347-S351 WeakPolarHBondContact O-CB 3.42Å; A347-S351 PolarHBondContact O-N 3.43Å
348	I	87.8	Confident	88.7	Confident	106 Å²	106	88.5 Å²	88.5	54%	0.544	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-43.1	174.3	-68.6	164.5	0	0	0	111.2	G344 R345 Q346 S351 I352	G344-I348 VanDerWaalsContact O-CG1 3.31Å; G344-I348 WeakPolarHBondContact O-CG1 3.31Å; G344-I348 PolarHBondContact O-N 3.49Å; R345-I348 PolarHBondContact O-N 2.84Å; Q346-I348 VanDerWaalsContact C-N 3.33Å; Q346-I348 PolarHBondContact O-N 3.43Å; I348-S351 PolarHBondContact O-N 3.29Å; I348-I352 HydrophobicContact CG2-CD1 3.92Å; I348-I352 WeakPolarHBondContact O-CG1 3.46Å; I348-I352 PolarHBondContact O-N 2.98Å
349	Q	91.1	Very high	88.7	Confident	87 Å²	87	86.7 Å²	86.7	41%	0.407	49%	0.491	S	S	.	.	H	α-helix	trans	-61	-48.4	176.9	-73.3	-174.1	-69.6	0	0	112.3	R345 Q346 S351 I352 E353	R345-Q349 WeakPolarHBondContact O-CG 3.46Å; R345-Q349 PolarHBondContact O-N 3.4Å; Q346-Q349 PolarHBondContact O-N 3.32Å; Q349-S351 VanDerWaalsContact C-N 3.27Å; Q349-S351 PolarHBondContact O-N 2.99Å; Q349-I352 PolarHBondContact O-N 2.85Å; Q349-I352 VanDerWaalsContact O-N 3.14Å; Q349-E353 WeakPolarHBondContact O-CG 3.5Å; Q349-E353 PolarHBondContact O-N 2.8Å
350	L	90.8	Very high	89	Confident	80 Å²	80	90.5 Å²	90.5	42%	0.419	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-35.4	176.5	-69.3	168.1	0	0	0	112.1	Q346 A347 Q354	Q346-L350 HydrophobicContact CG-CD1 4.27Å; Q346-L350 WeakPolarHBondContact O-CG 3.32Å; Q346-L350 PolarHBondContact O-N 2.96Å; A347-L350 PolarHBondContact O-N 2.95Å; L350-Q354 WeakPolarHBondContact O-CB 3.26Å; L350-Q354 WeakPolarHBondContact O-CG 3.38Å; L350-Q354 PolarHBondContact O-N 3.27Å
351	S	90	Very high	89.2	Confident	71 Å²	71	91.7 Å²	91.7	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-37	175.3	-177.3	0	0	0	0	112.6	A347 I348 Q349 A355	A347-S351 WeakPolarHBondContact O-CB 3.42Å; A347-S351 PolarHBondContact O-N 3.43Å; I348-S351 PolarHBondContact O-N 3.29Å; Q349-S351 VanDerWaalsContact C-N 3.27Å; Q349-S351 PolarHBondContact O-N 2.99Å; S351-A355 WeakPolarHBondContact O-CB 3.47Å; S351-A355 PolarHBondContact O-N 3Å
352	I	91.6	Very high	89.3	Confident	87 Å²	87	92.9 Å²	92.9	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-47.1	174	-69	163.7	0	0	0	110.6	I348 Q349 Q354 A355 Q356	I348-I352 HydrophobicContact CG2-CD1 3.92Å; I348-I352 WeakPolarHBondContact O-CG1 3.46Å; I348-I352 PolarHBondContact O-N 2.98Å; Q349-I352 PolarHBondContact O-N 2.85Å; Q349-I352 VanDerWaalsContact O-N 3.14Å; I352-Q354 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 2.98Å; I352-A355 PolarHBondContact O-N 3.13Å; I352-Q356 HydrophobicContact CG2-CG 4.46Å; I352-Q356 WeakPolarHBondContact O-CG 3.25Å; I352-Q356 PolarHBondContact O-N 2.75Å
353	E	91.9	Very high	89.3	Confident	112 Å²	112	93.3 Å²	93.3	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-43.1	177.5	-70.2	167.7	-166.3	0	0	111.6	Q349 Q356 A357	Q349-E353 WeakPolarHBondContact O-CG 3.5Å; Q349-E353 PolarHBondContact O-N 2.8Å; E353-Q356 PolarHBondContact O-N 3.32Å; E353-A357 WeakPolarHBondContact O-CB 3.16Å; E353-A357 PolarHBondContact O-N 2.92Å
354	Q	88.8	Confident	89.4	Confident	130 Å²	130	92.6 Å²	92.6	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-64.3	-43.4	174.7	-73.1	171.1	12.4	0	0	112.5	L350 I352 Q356 A357 V358	L350-Q354 WeakPolarHBondContact O-CB 3.26Å; L350-Q354 WeakPolarHBondContact O-CG 3.38Å; L350-Q354 PolarHBondContact O-N 3.27Å; I352-Q354 VanDerWaalsContact C-N 3.33Å; I352-Q354 PolarHBondContact O-N 2.98Å; Q354-Q356 PolarHBondContact O-N 3.11Å; Q354-A357 PolarHBondContact O-N 3.08Å; Q354-V358 WeakPolarHBondContact O-CG2 2.77Å; Q354-V358 PolarHBondContact O-N 3.5Å
355	A	84.8	Confident	89.5	Confident	60 Å²	60	96.9 Å²	96.9	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-39.1	178.1	0	0	0	0	0	112.2	S351 I352 V358 A359	S351-A355 WeakPolarHBondContact O-CB 3.47Å; S351-A355 PolarHBondContact O-N 3Å; I352-A355 PolarHBondContact O-N 3.13Å; A355-V358 PolarHBondContact O-N 2.73Å; A355-A359 WeakPolarHBondContact O-CB 3.34Å; A355-A359 PolarHBondContact O-N 3.35Å
356	Q	92.4	Very high	89.3	Confident	115 Å²	115	92.8 Å²	92.8	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-63.4	-48.3	174.5	-73.6	172.9	-21.2	0	0	111.5	I352 E353 Q354 V358 A359 E360	I352-Q356 HydrophobicContact CG2-CG 4.46Å; I352-Q356 WeakPolarHBondContact O-CG 3.25Å; I352-Q356 PolarHBondContact O-N 2.75Å; E353-Q356 PolarHBondContact O-N 3.32Å; Q354-Q356 PolarHBondContact O-N 3.11Å; Q356-V358 VanDerWaalsContact C-N 3.29Å; Q356-V358 PolarHBondContact O-N 2.8Å; Q356-A359 WeakPolarHBondContact O-CB 3.45Å; Q356-A359 PolarHBondContact O-N 3.27Å; Q356-A359 VanDerWaalsContact O-N 3.11Å; Q356-E360 PolarHBondContact O-N 2.88Å
357	A	90.8	Very high	89.3	Confident	58 Å²	58	91.9 Å²	91.9	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-36	177.2	0	0	0	0	0	113	E353 Q354 Q361	E353-A357 WeakPolarHBondContact O-CB 3.16Å; E353-A357 PolarHBondContact O-N 2.92Å; Q354-A357 PolarHBondContact O-N 3.08Å; A357-Q361 WeakPolarHBondContact O-CB 3.13Å; A357-Q361 PolarHBondContact O-N 2.95Å; A357-Q361 VanDerWaalsContact O-N 3.09Å
358	V	87	Confident	89.5	Confident	90 Å²	90	92.9 Å²	92.9	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-68.2	-42.1	173.4	171	0	0	0	0	111.3	Q354 A355 Q356 Q361 V362	Q354-V358 WeakPolarHBondContact O-CG2 2.77Å; Q354-V358 PolarHBondContact O-N 3.5Å; A355-V358 PolarHBondContact O-N 2.73Å; Q356-V358 VanDerWaalsContact C-N 3.29Å; Q356-V358 PolarHBondContact O-N 2.8Å; V358-Q361 PolarHBondContact O-N 3.42Å; V358-V362 HydrophobicContact CG1-CG2 4.47Å; V358-V362 WeakPolarHBondContact O-CG2 3.27Å; V358-V362 PolarHBondContact O-N 3.32Å
359	A	85.7	Confident	89.6	Confident	60 Å²	60	90.8 Å²	90.8	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-45.2	177.8	0	0	0	0	0	112.3	A355 Q356 Q361 V362 E363	A355-A359 WeakPolarHBondContact O-CB 3.34Å; A355-A359 PolarHBondContact O-N 3.35Å; Q356-A359 WeakPolarHBondContact O-CB 3.45Å; Q356-A359 PolarHBondContact O-N 3.27Å; Q356-A359 VanDerWaalsContact O-N 3.11Å; A359-Q361 VanDerWaalsContact C-N 3.33Å; A359-Q361 PolarHBondContact O-N 3.25Å; A359-V362 PolarHBondContact O-N 2.78Å; A359-E363 PolarHBondContact O-N 2.94Å
360	E	92.3	Very high	89.5	Confident	133 Å²	133	92 Å²	92	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-59.8	-42.8	173.2	-70.1	-177.1	-178.2	0	0	111.7	Q356 V362 E363 M364	Q356-E360 PolarHBondContact O-N 2.88Å; E360-V362 VanDerWaalsContact C-N 3.33Å; E360-V362 PolarHBondContact O-N 3.31Å; E360-E363 PolarHBondContact O-N 3.02Å; E360-M364 WeakPolarHBondContact O-CG 3.46Å; E360-M364 PolarHBondContact O-N 2.8Å
361	Q	88.8	Confident	89.5	Confident	105 Å²	105	91.3 Å²	91.3	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-36.3	177.6	-163.5	-168.4	81.5	0	0	112.2	A357 V358 A359 K365	A357-Q361 WeakPolarHBondContact O-CB 3.13Å; A357-Q361 PolarHBondContact O-N 2.95Å; A357-Q361 VanDerWaalsContact O-N 3.09Å; V358-Q361 PolarHBondContact O-N 3.42Å; A359-Q361 VanDerWaalsContact C-N 3.33Å; A359-Q361 PolarHBondContact O-N 3.25Å; Q361-K365 HydrophobicContact CG-CD 4.26Å; Q361-K365 WeakPolarHBondContact O-CB 3.5Å; Q361-K365 VanDerWaalsContact O-CG 3.28Å; Q361-K365 WeakPolarHBondContact O-CG 3.31Å; Q361-K365 PolarHBondContact O-N 2.85Å
362	V	86.5	Confident	89.6	Confident	86 Å²	86	93.3 Å²	93.3	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-64.4	-45	174	168.1	0	0	0	0	110.8	V358 A359 E360 M364 K365 A366	V358-V362 HydrophobicContact CG1-CG2 4.47Å; V358-V362 WeakPolarHBondContact O-CG2 3.27Å; V358-V362 PolarHBondContact O-N 3.32Å; A359-V362 PolarHBondContact O-N 2.78Å; E360-V362 VanDerWaalsContact C-N 3.33Å; E360-V362 PolarHBondContact O-N 3.31Å; V362-M364 PolarHBondContact O-N 3.05Å; V362-K365 PolarHBondContact O-N 3.08Å; V362-A366 WeakPolarHBondContact O-CB 3.21Å; V362-A366 PolarHBondContact O-N 2.88Å
363	E	90.5	Very high	89.5	Confident	112 Å²	112	92.7 Å²	92.7	52%	0.523	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-40.4	178.1	-153.9	-153	158.9	0	0	111.9	A359 E360 A366 K367	A359-E363 PolarHBondContact O-N 2.94Å; E360-E363 PolarHBondContact O-N 3.02Å; E363-A366 PolarHBondContact O-N 2.68Å; E363-K367 WeakPolarHBondContact O-CG 3.33Å; E363-K367 PolarHBondContact O-N 3.01Å; E363-K367 WeakPolarHBondContact OE1-CE 3.25Å; E363-K367 IonicContact OE1-NZ 3.39Å; E363-K367 PolarHBondContact OE1-NZ 3.41Å; E363-K367 IonicContact OE2-NZ 2.78Å; E363-K367 PolarHBondContact OE2-NZ 3.48Å; E363-K367 VanDerWaalsContact OE2-NZ 3.16Å
364	M	90.9	Very high	89.5	Confident	121 Å²	121	93.6 Å²	93.6	60%	0.596	51%	0.505	S	S	*	.	H	α-helix	trans	-64.5	-44.9	174.6	-69.5	-64.2	-173.7	0	0	112.1	E360 V362 A366 K367 V368	E360-M364 WeakPolarHBondContact O-CG 3.46Å; E360-M364 PolarHBondContact O-N 2.8Å; V362-M364 PolarHBondContact O-N 3.05Å; M364-A366 VanDerWaalsContact C-N 3.34Å; M364-A366 PolarHBondContact O-N 3.09Å; M364-K367 PolarHBondContact O-N 3.31Å; M364-K367 HydrophobicContact SD-CD 4.4Å; M364-V368 WeakPolarHBondContact O-CG2 3.44Å; M364-V368 PolarHBondContact O-N 2.81Å; M364-V368 VanDerWaalsContact O-N 3.08Å
365	K	88.4	Confident	89.7	Confident	121 Å²	121	90.3 Å²	90.3	53%	0.526	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-42.6	174.7	-78.3	168.3	169.8	173.1	0	111.7	Q361 V362 K367 V368 V369	Q361-K365 HydrophobicContact CG-CD 4.26Å; Q361-K365 WeakPolarHBondContact O-CB 3.5Å; Q361-K365 VanDerWaalsContact O-CG 3.28Å; Q361-K365 WeakPolarHBondContact O-CG 3.31Å; Q361-K365 PolarHBondContact O-N 2.85Å; V362-K365 PolarHBondContact O-N 3.08Å; K365-K367 PolarHBondContact O-N 2.84Å; K365-V368 PolarHBondContact O-N 3.13Å; K365-V369 WeakPolarHBondContact O-CG2 3.33Å; K365-V369 PolarHBondContact O-N 2.95Å
366	A	87	Confident	90	Very high	44 Å²	44	90.7 Å²	90.7	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-61	-42.2	176.4	0	0	0	0	0	112.1	V362 E363 M364 V368 V369 Q370	V362-A366 WeakPolarHBondContact O-CB 3.21Å; V362-A366 PolarHBondContact O-N 2.88Å; E363-A366 PolarHBondContact O-N 2.68Å; M364-A366 VanDerWaalsContact C-N 3.34Å; M364-A366 PolarHBondContact O-N 3.09Å; A366-V368 PolarHBondContact O-N 2.86Å; A366-V369 PolarHBondContact O-N 2.97Å; A366-Q370 WeakPolarHBondContact O-CB 3.46Å; A366-Q370 VanDerWaalsContact O-CG 3.29Å; A366-Q370 WeakPolarHBondContact O-CG 3.36Å; A366-Q370 PolarHBondContact O-N 3.35Å
367	K	91	Very high	89.8	Confident	94 Å²	94	89.4 Å²	89.4	41%	0.409	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-40.1	174.8	-71.1	162.5	-174.7	165.3	0	112.2	E363 M364 K365 S371	E363-K367 WeakPolarHBondContact O-CG 3.33Å; E363-K367 PolarHBondContact O-N 3.01Å; E363-K367 WeakPolarHBondContact OE1-CE 3.25Å; E363-K367 IonicContact OE1-NZ 3.39Å; E363-K367 PolarHBondContact OE1-NZ 3.41Å; E363-K367 IonicContact OE2-NZ 2.78Å; E363-K367 PolarHBondContact OE2-NZ 3.48Å; E363-K367 VanDerWaalsContact OE2-NZ 3.16Å; M364-K367 PolarHBondContact O-N 3.31Å; M364-K367 HydrophobicContact SD-CD 4.4Å; K365-K367 PolarHBondContact O-N 2.84Å; K367-S371 PolarHBondContact O-N 2.94Å
368	V	92.2	Very high	89.9	Confident	79 Å²	79	91 Å²	91	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-54.4	175	173.8	0	0	0	0	110.8	M364 K365 A366 Q370 S371 E372	M364-V368 WeakPolarHBondContact O-CG2 3.44Å; M364-V368 PolarHBondContact O-N 2.81Å; M364-V368 VanDerWaalsContact O-N 3.08Å; K365-V368 PolarHBondContact O-N 3.13Å; A366-V368 PolarHBondContact O-N 2.86Å; V368-Q370 VanDerWaalsContact C-N 3.3Å; V368-Q370 PolarHBondContact O-N 3.32Å; V368-S371 WeakPolarHBondContact O-CA 3.43Å; V368-S371 WeakPolarHBondContact O-CB 3.5Å; V368-S371 PolarHBondContact O-N 3.5Å; V368-S371 PolarHBondContact O-OG 3.09Å; V368-E372 HydrophobicContact CG1-CG 4.46Å; V368-E372 PolarHBondContact O-N 3.26Å
369	V	89.2	Confident	90.2	Very high	62 Å²	62	96 Å²	96	38%	0.376	51%	0.509	S	S	.	.	H	α-helix	trans	-58.8	-40.4	-179.7	174.3	0	0	0	0	111.6	K365 A366 S371 E372 V373	K365-V369 WeakPolarHBondContact O-CG2 3.33Å; K365-V369 PolarHBondContact O-N 2.95Å; A366-V369 PolarHBondContact O-N 2.97Å; V369-S371 PolarHBondContact O-N 2.89Å; V369-E372 PolarHBondContact O-N 3.09Å; V369-V373 HydrophobicContact CG1-CG2 4.34Å; V369-V373 WeakPolarHBondContact O-CG2 3.39Å; V369-V373 PolarHBondContact O-N 2.88Å
370	Q	88.6	Confident	90.4	Very high	111 Å²	111	97 Å²	97	52%	0.519	50%	0.503	S	S	.	.	H	α-helix	trans	-60.2	-32.8	173.7	-76.4	-178.9	25	0	0	113.2	A366 V368 K374	A366-Q370 WeakPolarHBondContact O-CB 3.46Å; A366-Q370 VanDerWaalsContact O-CG 3.29Å; A366-Q370 WeakPolarHBondContact O-CG 3.36Å; A366-Q370 PolarHBondContact O-N 3.35Å; V368-Q370 VanDerWaalsContact C-N 3.3Å; V368-Q370 PolarHBondContact O-N 3.32Å; Q370-K374 VanDerWaalsContact O-CD 3.26Å; Q370-K374 WeakPolarHBondContact O-CD 3.3Å; Q370-K374 WeakPolarHBondContact O-CG 3.42Å; Q370-K374 PolarHBondContact O-N 3.48Å
371	S	91.8	Very high	90.4	Very high	67 Å²	67	96.5 Å²	96.5	47%	0.469	50%	0.499	S	S	.	.	H	α-helix	trans	-74.8	-38.8	176.8	80.2	0	0	0	0	111.7	K367 V368 V369 K374 A375	K367-S371 PolarHBondContact O-N 2.94Å; V368-S371 WeakPolarHBondContact O-CA 3.43Å; V368-S371 WeakPolarHBondContact O-CB 3.5Å; V368-S371 PolarHBondContact O-N 3.5Å; V368-S371 PolarHBondContact O-OG 3.09Å; V369-S371 PolarHBondContact O-N 2.89Å; S371-K374 PolarHBondContact O-N 3.03Å; S371-A375 WeakPolarHBondContact O-CB 3.36Å; S371-A375 PolarHBondContact O-N 2.92Å
372	E	91.3	Very high	90.6	Very high	113 Å²	113	97.1 Å²	97.1	53%	0.528	50%	0.5	S	S	.	.	H	α-helix	trans	-67	-46.4	178	-67.9	-176.2	154.6	0	0	111.7	V368 V369 K374 A375 V376	V368-E372 HydrophobicContact CG1-CG 4.46Å; V368-E372 PolarHBondContact O-N 3.26Å; V369-E372 PolarHBondContact O-N 3.09Å; E372-K374 VanDerWaalsContact C-N 3.33Å; E372-K374 PolarHBondContact O-N 3.42Å; E372-A375 PolarHBondContact O-N 3.06Å; E372-A375 VanDerWaalsContact O-N 3.13Å; E372-V376 WeakPolarHBondContact O-CB 3.33Å; E372-V376 WeakPolarHBondContact O-CG2 3.35Å; E372-V376 PolarHBondContact O-N 2.95Å
373	V	90.1	Very high	90.9	Very high	73 Å²	73	95.6 Å²	95.6	44%	0.442	50%	0.496	S	S	.	.	H	α-helix	trans	-55.8	-49.3	174.9	172.7	0	0	0	0	110.3	V369 A375 V376 T377	V369-V373 HydrophobicContact CG1-CG2 4.34Å; V369-V373 WeakPolarHBondContact O-CG2 3.39Å; V369-V373 PolarHBondContact O-N 2.88Å; V373-A375 VanDerWaalsContact C-N 3.34Å; V373-A375 PolarHBondContact O-N 2.87Å; V373-V376 PolarHBondContact O-N 2.7Å; V373-T377 WeakPolarHBondContact O-CB 3.46Å; V373-T377 PolarHBondContact O-N 2.93Å; V373-T377 PolarHBondContact O-OG1 2.74Å
374	K	91.6	Very high	90.9	Very high	132 Å²	132	94.7 Å²	94.7	57%	0.574	50%	0.495	S	S	*	.	H	α-helix	trans	-58.9	-42.8	176.8	-72.1	167.7	-171.9	166.7	0	112.1	Q370 S371 E372 T378	Q370-K374 VanDerWaalsContact O-CD 3.26Å; Q370-K374 WeakPolarHBondContact O-CD 3.3Å; Q370-K374 WeakPolarHBondContact O-CG 3.42Å; Q370-K374 PolarHBondContact O-N 3.48Å; S371-K374 PolarHBondContact O-N 3.03Å; E372-K374 VanDerWaalsContact C-N 3.33Å; E372-K374 PolarHBondContact O-N 3.42Å; K374-T378 VanDerWaalsContact O-CB 3.3Å; K374-T378 WeakPolarHBondContact O-CB 3.29Å; K374-T378 PolarHBondContact O-N 2.85Å; K374-T378 PolarHBondContact O-OG1 2.9Å
375	A	91.9	Very high	91.1	Very high	60 Å²	60	93.2 Å²	93.2	50%	0.496	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-43.3	179.1	0	0	0	0	0	112.6	S371 E372 V373 T378 R379	S371-A375 WeakPolarHBondContact O-CB 3.36Å; S371-A375 PolarHBondContact O-N 2.92Å; E372-A375 PolarHBondContact O-N 3.06Å; E372-A375 VanDerWaalsContact O-N 3.13Å; V373-A375 VanDerWaalsContact C-N 3.34Å; V373-A375 PolarHBondContact O-N 2.87Å; A375-T378 PolarHBondContact O-N 2.88Å; A375-R379 WeakPolarHBondContact O-CB 3.3Å; A375-R379 PolarHBondContact O-N 2.7Å
376	V	91.4	Very high	91.5	Very high	69 Å²	69	92.9 Å²	92.9	42%	0.418	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-44.8	178.9	172.8	0	0	0	0	111.2	E372 V373 T378 R379 H380	E372-V376 WeakPolarHBondContact O-CB 3.33Å; E372-V376 WeakPolarHBondContact O-CG2 3.35Å; E372-V376 PolarHBondContact O-N 2.95Å; V373-V376 PolarHBondContact O-N 2.7Å; V376-T378 VanDerWaalsContact C-N 3.34Å; V376-T378 PolarHBondContact O-N 3.37Å; V376-R379 PolarHBondContact O-N 2.76Å; V376-H380 PolarHBondContact O-N 3.1Å; V376-H380 VanDerWaalsContact O-N 3.09Å; V376-H380 PolarHBondContact O-ND1 2.75Å
377	T	89.5	Confident	91.8	Very high	88 Å²	88	96.6 Å²	96.6	54%	0.54	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-42.6	174.6	-55.4	0	0	0	0	111.2	V373 R379 H380 K381	V373-T377 WeakPolarHBondContact O-CB 3.46Å; V373-T377 PolarHBondContact O-N 2.93Å; V373-T377 PolarHBondContact O-OG1 2.74Å; T377-R379 PolarHBondContact O-N 3.4Å; T377-H380 PolarHBondContact O-N 2.93Å; T377-K381 WeakPolarHBondContact O-CB 3.32Å; T377-K381 PolarHBondContact O-N 2.95Å
378	T	92.3	Very high	91.9	Very high	92 Å²	92	97.9 Å²	97.9	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-65.3	-38.7	178.8	-55.7	0	0	0	0	112	K374 A375 V376 K382	K374-T378 VanDerWaalsContact O-CB 3.3Å; K374-T378 WeakPolarHBondContact O-CB 3.29Å; K374-T378 PolarHBondContact O-N 2.85Å; K374-T378 PolarHBondContact O-OG1 2.9Å; A375-T378 PolarHBondContact O-N 2.88Å; V376-T378 VanDerWaalsContact C-N 3.34Å; V376-T378 PolarHBondContact O-N 3.37Å; T378-K382 WeakPolarHBondContact O-CB 3.49Å; T378-K382 PolarHBondContact O-N 3.26Å
379	R	92.7	Very high	92.1	Very high	193 Å²	193	98.1 Å²	98.1	73%	0.728	50%	0.502	S	S	*	.	H	α-helix	trans	-61.4	-46.1	174	177.4	-179.6	-77.2	163.7	-3.5	111.8	A375 V376 T377 K382 A383	A375-R379 WeakPolarHBondContact O-CB 3.3Å; A375-R379 PolarHBondContact O-N 2.7Å; V376-R379 PolarHBondContact O-N 2.76Å; T377-R379 PolarHBondContact O-N 3.4Å; R379-K382 PolarHBondContact O-N 3.48Å; R379-A383 PolarHBondContact O-N 2.87Å; R379-A383 VanDerWaalsContact O-N 3.12Å
380	H	90.7	Very high	92.4	Very high	81 Å²	81	98.9 Å²	98.9	38%	0.375	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-41.2	178.8	-73	96.4	0	0	0	112.4	V376 T377 K382 A383 L384 M484	V376-H380 PolarHBondContact O-N 3.1Å; V376-H380 VanDerWaalsContact O-N 3.09Å; V376-H380 PolarHBondContact O-ND1 2.75Å; T377-H380 PolarHBondContact O-N 2.93Å; H380-K382 VanDerWaalsContact C-N 3.35Å; H380-K382 PolarHBondContact O-N 2.89Å; H380-A383 PolarHBondContact O-N 2.85Å; H380-L384 WeakPolarHBondContact O-CG 3.46Å; H380-L384 PolarHBondContact O-N 2.84Å; H380-L384 VanDerWaalsContact O-N 3.1Å; H380-M484 HydrophobicContact CB-SD 4.32Å
381	K	91.4	Very high	92.7	Very high	124 Å²	124	96.2 Å²	96.2	54%	0.539	49%	0.491	S	S	.	.	H	α-helix	trans	-54.4	-51.2	172.3	174.2	176.2	166.6	176	0	110.9	T377 A383 L384 E385	T377-K381 WeakPolarHBondContact O-CB 3.32Å; T377-K381 PolarHBondContact O-N 2.95Å; K381-A383 VanDerWaalsContact C-N 3.32Å; K381-A383 PolarHBondContact O-N 2.88Å; K381-L384 WeakPolarHBondContact O-CB 3.3Å; K381-L384 PolarHBondContact O-N 3.4Å; K381-L384 VanDerWaalsContact O-N 3.08Å; K381-E385 WeakPolarHBondContact CE-OE1 3.43Å; K381-E385 HydrophobicContact CG-CG 4.38Å; K381-E385 IonicContact NZ-OE1 3.84Å; K381-E385 PolarHBondContact NZ-OE1 3.44Å; K381-E385 WeakPolarHBondContact O-CG 3.5Å; K381-E385 PolarHBondContact O-N 2.76Å
382	K	93.9	Very high	92.8	Very high	118 Å²	118	98 Å²	98	51%	0.513	50%	0.495	S	S	.	.	H	α-helix	trans	-59.4	-40.4	179.3	176.8	170.1	170.2	172.3	0	112.7	T378 R379 H380 L384 E385 E386	T378-K382 WeakPolarHBondContact O-CB 3.49Å; T378-K382 PolarHBondContact O-N 3.26Å; R379-K382 PolarHBondContact O-N 3.48Å; H380-K382 VanDerWaalsContact C-N 3.35Å; H380-K382 PolarHBondContact O-N 2.89Å; K382-L384 VanDerWaalsContact C-N 3.28Å; K382-L384 PolarHBondContact O-N 3.38Å; K382-E385 PolarHBondContact O-N 2.74Å; K382-E386 WeakPolarHBondContact CE-OE1 3.47Å; K382-E386 HydrophobicContact CG-CG 4.36Å; K382-E386 IonicContact NZ-OE1 3.57Å; K382-E386 WeakPolarHBondContact O-CB 3.25Å; K382-E386 WeakPolarHBondContact O-CG 3.47Å; K382-E386 PolarHBondContact O-N 2.93Å
383	A	92.4	Very high	93	Very high	53 Å²	53	100.1 Å²	100.1	44%	0.438	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-31.6	177	0	0	0	0	0	113	R379 H380 K381 R387	R379-A383 PolarHBondContact O-N 2.87Å; R379-A383 VanDerWaalsContact O-N 3.12Å; H380-A383 PolarHBondContact O-N 2.85Å; K381-A383 VanDerWaalsContact C-N 3.32Å; K381-A383 PolarHBondContact O-N 2.88Å; A383-R387 WeakPolarHBondContact O-CB 3.39Å; A383-R387 PolarHBondContact O-N 3.38Å
384	L	91.5	Very high	93.3	Very high	94 Å²	94	100.4 Å²	100.4	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-72.6	-43.3	172.7	-65.8	170	0	0	0	111.6	H380 K381 K382 R387 E388 I481	H380-L384 WeakPolarHBondContact O-CG 3.46Å; H380-L384 PolarHBondContact O-N 2.84Å; H380-L384 VanDerWaalsContact O-N 3.1Å; K381-L384 WeakPolarHBondContact O-CB 3.3Å; K381-L384 PolarHBondContact O-N 3.4Å; K381-L384 VanDerWaalsContact O-N 3.08Å; K382-L384 VanDerWaalsContact C-N 3.28Å; K382-L384 PolarHBondContact O-N 3.38Å; L384-R387 PolarHBondContact O-N 2.86Å; L384-E388 PolarHBondContact O-N 2.86Å; L384-I481 HydrophobicContact CD1-CD1 4.42Å; L384-I481 HydrophobicContact CD2-CD1 4.45Å
385	E	94.9	Very high	93.4	Very high	89 Å²	89	97.3 Å²	97.3	42%	0.416	49%	0.485	S	S	.	.	H	α-helix	trans	-60.7	-44	175.6	-68.5	171.4	140.5	0	0	111.5	K381 K382 R387 E388 C389	K381-E385 WeakPolarHBondContact CE-OE1 3.43Å; K381-E385 HydrophobicContact CG-CG 4.38Å; K381-E385 IonicContact NZ-OE1 3.84Å; K381-E385 PolarHBondContact NZ-OE1 3.44Å; K381-E385 WeakPolarHBondContact O-CG 3.5Å; K381-E385 PolarHBondContact O-N 2.76Å; K382-E385 PolarHBondContact O-N 2.74Å; E385-R387 VanDerWaalsContact C-N 3.32Å; E385-R387 PolarHBondContact O-N 2.84Å; E385-E388 PolarHBondContact O-N 2.84Å; E385-C389 PolarHBondContact O-N 3.11Å; E385-C389 VanDerWaalsContact O-N 3.09Å; E385-C389 PolarHBondContact O-SG 3.4Å
386	E	95.8	Very high	93.6	Very high	114 Å²	114	97.7 Å²	97.7	53%	0.533	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-39.2	174.9	-74.9	176.6	166.5	0	0	111.9	K382 C389 E390	K382-E386 WeakPolarHBondContact CE-OE1 3.47Å; K382-E386 HydrophobicContact CG-CG 4.36Å; K382-E386 IonicContact NZ-OE1 3.57Å; K382-E386 WeakPolarHBondContact O-CB 3.25Å; K382-E386 WeakPolarHBondContact O-CG 3.47Å; K382-E386 PolarHBondContact O-N 2.93Å; E386-C389 PolarHBondContact O-N 2.94Å; E386-E390 PolarHBondContact O-N 3.33Å; E386-E390 VanDerWaalsContact O-N 3.08Å
387	R	93.9	Very high	93.8	Very high	123 Å²	123	99.6 Å²	99.6	46%	0.464	48%	0.48	S	S	.	.	H	α-helix	trans	-71.9	-36	177.6	-179	54.5	173.6	-160.5	-9.7	112.9	A383 L384 E385 E390 L391	A383-R387 WeakPolarHBondContact O-CB 3.39Å; A383-R387 PolarHBondContact O-N 3.38Å; L384-R387 PolarHBondContact O-N 2.86Å; E385-R387 VanDerWaalsContact C-N 3.32Å; E385-R387 PolarHBondContact O-N 2.84Å; R387-E390 VanDerWaalsContact CD-OE2 3.3Å; R387-E390 WeakPolarHBondContact CD-OE2 3.42Å; R387-E390 IonicContact CZ-OE2 2.71Å; R387-E390 IonicContact NE-OE2 3.26Å; R387-E390 IonicContact NH1-OE1 2.61Å; R387-E390 PolarHBondContact NH1-OE1 3.32Å; R387-E390 IonicContact NH1-OE2 2.59Å; R387-E390 PolarHBondContact NH1-OE2 3.04Å; R387-E390 PolarHBondContact O-N 3.13Å; R387-L391 HydrophobicContact CG-CD1 4.13Å; R387-L391 VanDerWaalsContact O-CG 3.3Å; R387-L391 WeakPolarHBondContact O-CG 3.41Å; R387-L391 PolarHBondContact O-N 2.94Å
388	E	93.1	Very high	94	Very high	120 Å²	120	99.2 Å²	99.2	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-58.8	-49.7	171.8	-176.2	-179.2	169.4	0	0	110.4	L384 E385 E390 L391 L392	L384-E388 PolarHBondContact O-N 2.86Å; E385-E388 PolarHBondContact O-N 2.84Å; E388-E390 VanDerWaalsContact C-N 3.33Å; E388-E390 PolarHBondContact O-N 2.88Å; E388-L391 PolarHBondContact O-N 2.84Å; E388-L391 VanDerWaalsContact O-N 3.16Å; E388-L392 HydrophobicContact CG-CD1 3.98Å; E388-L392 HydrophobicContact CG-CG 4.45Å; E388-L392 WeakPolarHBondContact O-CG 3.3Å; E388-L392 PolarHBondContact O-N 2.68Å
389	C	95.3	Very high	94.1	Very high	84 Å²	84	100.8 Å²	100.8	57%	0.568	47%	0.469	S	S	*	.	H	α-helix	trans	-57.7	-43.5	177.1	-63.9	0	0	0	0	112.3	E385 E386 L391 W393	E385-C389 PolarHBondContact O-N 3.11Å; E385-C389 VanDerWaalsContact O-N 3.09Å; E385-C389 PolarHBondContact O-SG 3.4Å; E386-C389 PolarHBondContact O-N 2.94Å; C389-L391 PolarHBondContact O-N 3.18Å; C389-W393 VanDerWaalsContact O-CB 3.32Å; C389-W393 WeakPolarHBondContact O-CB 3.37Å; C389-W393 PolarHBondContact O-N 2.97Å
390	E	95.8	Very high	94.2	Very high	79 Å²	79	96.8 Å²	96.8	37%	0.369	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-39.2	177.7	-164	-151.7	158.6	0	0	112.6	E386 R387 E388 K394	E386-E390 PolarHBondContact O-N 3.33Å; E386-E390 VanDerWaalsContact O-N 3.08Å; R387-E390 VanDerWaalsContact CD-OE2 3.3Å; R387-E390 WeakPolarHBondContact CD-OE2 3.42Å; R387-E390 IonicContact CZ-OE2 2.71Å; R387-E390 IonicContact NE-OE2 3.26Å; R387-E390 IonicContact NH1-OE1 2.61Å; R387-E390 PolarHBondContact NH1-OE1 3.32Å; R387-E390 IonicContact NH1-OE2 2.59Å; R387-E390 PolarHBondContact NH1-OE2 3.04Å; R387-E390 PolarHBondContact O-N 3.13Å; E388-E390 VanDerWaalsContact C-N 3.33Å; E388-E390 PolarHBondContact O-N 2.88Å; E390-K394 WeakPolarHBondContact O-CG 3.42Å; E390-K394 PolarHBondContact O-N 2.72Å; E390-K394 WeakPolarHBondContact OE1-CE 3.47Å; E390-K394 IonicContact OE1-NZ 2.72Å; E390-K394 PolarHBondContact OE1-NZ 3.3Å
391	L	94.5	Very high	94.3	Very high	54 Å²	54	97.1 Å²	97.1	28%	0.283	47%	0.466	S	S	.	.	H	α-helix	trans	-72.7	-44.7	179.6	-71.3	169.1	0	0	0	111.7	R387 E388 C389 W393 K394 V395 F470	R387-L391 HydrophobicContact CG-CD1 4.13Å; R387-L391 VanDerWaalsContact O-CG 3.3Å; R387-L391 WeakPolarHBondContact O-CG 3.41Å; R387-L391 PolarHBondContact O-N 2.94Å; E388-L391 PolarHBondContact O-N 2.84Å; E388-L391 VanDerWaalsContact O-N 3.16Å; C389-L391 PolarHBondContact O-N 3.18Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 3.02Å; L391-K394 WeakPolarHBondContact O-CB 3.42Å; L391-K394 PolarHBondContact O-N 3.33Å; L391-K394 VanDerWaalsContact O-N 3.15Å; L391-V395 PolarHBondContact O-N 3Å; L391-F470 HydrophobicContact CD1-CE2 4.19Å
392	L	94.6	Very high	94.4	Very high	106 Å²	106	92.7 Å²	92.7	56%	0.555	45%	0.447	S	S	*	.	H	α-helix	trans	-61.2	-41.3	175.3	-68.1	174.5	0	0	0	111.5	E388 K394 V395 E396	E388-L392 HydrophobicContact CG-CD1 3.98Å; E388-L392 HydrophobicContact CG-CG 4.45Å; E388-L392 WeakPolarHBondContact O-CG 3.3Å; E388-L392 PolarHBondContact O-N 2.68Å; L392-K394 VanDerWaalsContact C-N 3.32Å; L392-K394 PolarHBondContact O-N 3.2Å; L392-V395 PolarHBondContact O-N 2.79Å; L392-E396 PolarHBondContact O-N 2.78Å
393	W	96.6	Very high	94.3	Very high	156 Å²	156	88.4 Å²	88.4	59%	0.591	43%	0.433	S	S	*	.	H	α-helix	trans	-61.9	-36.5	174.4	-179.4	84.9	0	0	0	112.9	C389 L391 K397	C389-W393 VanDerWaalsContact O-CB 3.32Å; C389-W393 WeakPolarHBondContact O-CB 3.37Å; C389-W393 PolarHBondContact O-N 2.97Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 3.02Å; W393-K397 HydrophobicContact CH2-CD 3.62Å; W393-K397 HydrophobicContact CZ2-CD 3.97Å; W393-K397 HydrophobicContact CZ3-CD 3.92Å; W393-K397 VanDerWaalsContact O-CB 3.26Å; W393-K397 WeakPolarHBondContact O-CB 3.31Å; W393-K397 PolarHBondContact O-N 2.8Å
394	K	95.2	Very high	94.4	Very high	79 Å²	79	93.5 Å²	93.5	34%	0.343	45%	0.446	S	S	.	.	H	α-helix	trans	-67.4	-41.5	174.6	-74.2	171.6	-171.2	172.8	0	112.3	E390 L391 L392 K397 I398	E390-K394 WeakPolarHBondContact O-CG 3.42Å; E390-K394 PolarHBondContact O-N 2.72Å; E390-K394 WeakPolarHBondContact OE1-CE 3.47Å; E390-K394 IonicContact OE1-NZ 2.72Å; E390-K394 PolarHBondContact OE1-NZ 3.3Å; L391-K394 WeakPolarHBondContact O-CB 3.42Å; L391-K394 PolarHBondContact O-N 3.33Å; L391-K394 VanDerWaalsContact O-N 3.15Å; L392-K394 VanDerWaalsContact C-N 3.32Å; L392-K394 PolarHBondContact O-N 3.2Å; K394-K397 PolarHBondContact O-N 3.16Å; K394-I398 VanDerWaalsContact O-CG1 3.28Å; K394-I398 WeakPolarHBondContact O-CG1 3.37Å; K394-I398 PolarHBondContact O-N 2.99Å
395	V	94.9	Very high	94.4	Very high	67 Å²	67	90.8 Å²	90.8	41%	0.406	43%	0.434	S	S	.	.	H	α-helix	trans	-59.1	-49.8	174.6	169.8	0	0	0	0	110.3	L391 L392 K397 I398 R399 I468	L391-V395 PolarHBondContact O-N 3Å; L392-V395 PolarHBondContact O-N 2.79Å; V395-K397 PolarHBondContact O-N 2.98Å; V395-I398 PolarHBondContact O-N 2.92Å; V395-R399 WeakPolarHBondContact O-CB 3.42Å; V395-R399 PolarHBondContact O-N 2.85Å; V395-I468 HydrophobicContact CG1-CG2 4.31Å; V395-I468 HydrophobicContact CG2-CG2 4.49Å
396	E	95.3	Very high	94.2	Very high	68 Å²	68	89.3 Å²	89.3	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-62.2	-41.2	178.1	175.2	55.1	-163	0	0	112.1	L392 R399 Q400	L392-E396 PolarHBondContact O-N 2.78Å; E396-R399 WeakPolarHBondContact O-CB 3.49Å; E396-R399 PolarHBondContact O-N 2.95Å; E396-R399 IonicContact OE1-CZ 2.78Å; E396-R399 IonicContact OE1-NE 2.6Å; E396-R399 IonicContact OE1-NH2 3.38Å; E396-R399 PolarHBondContact OE1-NH2 2.9Å; E396-R399 IonicContact OE2-CZ 3.88Å; E396-R399 IonicContact OE2-NE 2.78Å; E396-R399 PolarHBondContact OE2-NE 3.36Å; E396-R399 IonicContact OE2-NH2 2.65Å; E396-R399 PolarHBondContact OE2-NH2 3.47Å; E396-Q400 WeakPolarHBondContact O-CG 3.42Å; E396-Q400 PolarHBondContact O-N 2.87Å; E396-Q400 WeakPolarHBondContact OE1-CG 3.38Å; E396-Q400 PolarHBondContact OE1-NE2 2.73Å
397	K	95.3	Very high	94.1	Very high	109 Å²	109	92.3 Å²	92.3	47%	0.474	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-41.9	176.2	-176.9	172.8	178.8	177.6	0	112.6	W393 K394 V395 Q400 V401	W393-K397 HydrophobicContact CH2-CD 3.62Å; W393-K397 HydrophobicContact CZ2-CD 3.97Å; W393-K397 HydrophobicContact CZ3-CD 3.92Å; W393-K397 VanDerWaalsContact O-CB 3.26Å; W393-K397 WeakPolarHBondContact O-CB 3.31Å; W393-K397 PolarHBondContact O-N 2.8Å; K394-K397 PolarHBondContact O-N 3.16Å; V395-K397 PolarHBondContact O-N 2.98Å; K397-Q400 PolarHBondContact O-N 2.9Å; K397-V401 WeakPolarHBondContact O-CG2 3.37Å; K397-V401 PolarHBondContact O-N 3.12Å
398	I	92.9	Very high	94	Very high	80 Å²	80	91.7 Å²	91.7	41%	0.41	44%	0.442	S	S	.	.	H	α-helix	trans	-63.2	-46.1	175	-69.7	164.2	0	0	0	109.9	K394 V395 Q400 V401 K402 I468	K394-I398 VanDerWaalsContact O-CG1 3.28Å; K394-I398 WeakPolarHBondContact O-CG1 3.37Å; K394-I398 PolarHBondContact O-N 2.99Å; V395-I398 PolarHBondContact O-N 2.92Å; I398-Q400 VanDerWaalsContact C-N 3.35Å; I398-Q400 PolarHBondContact O-N 3.44Å; I398-V401 PolarHBondContact O-N 3.39Å; I398-K402 HydrophobicContact CG2-CD 4.16Å; I398-K402 HydrophobicContact CG2-CG 4.45Å; I398-K402 PolarHBondContact O-N 2.9Å; I398-I468 HydrophobicContact CG2-CD1 4.23Å; I398-I468 HydrophobicContact CG2-CG1 4.18Å
399	R	94.6	Very high	93.9	Very high	126 Å²	126	86.6 Å²	86.6	48%	0.475	42%	0.418	S	S	.	.	H	α-helix	trans	-56.6	-46.2	176.1	-168.6	-165.4	69.6	80.2	1.8	111.8	V395 E396 A403 I468	V395-R399 WeakPolarHBondContact O-CB 3.42Å; V395-R399 PolarHBondContact O-N 2.85Å; E396-R399 WeakPolarHBondContact O-CB 3.49Å; E396-R399 PolarHBondContact O-N 2.95Å; E396-R399 IonicContact OE1-CZ 2.78Å; E396-R399 IonicContact OE1-NE 2.6Å; E396-R399 IonicContact OE1-NH2 3.38Å; E396-R399 PolarHBondContact OE1-NH2 2.9Å; E396-R399 IonicContact OE2-CZ 3.88Å; E396-R399 IonicContact OE2-NE 2.78Å; E396-R399 PolarHBondContact OE2-NE 3.36Å; E396-R399 IonicContact OE2-NH2 2.65Å; E396-R399 PolarHBondContact OE2-NH2 3.47Å; R399-A403 WeakPolarHBondContact O-CB 3.33Å; R399-A403 PolarHBondContact O-N 2.85Å; R399-I468 HydrophobicContact CB-CD1 4.39Å
400	Q	94.9	Very high	93.7	Very high	109 Å²	109	85.6 Å²	85.6	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-63.5	-43.3	178	-73.9	-179.5	13.6	0	0	112.8	E396 K397 I398 K404	E396-Q400 WeakPolarHBondContact O-CG 3.42Å; E396-Q400 PolarHBondContact O-N 2.87Å; E396-Q400 WeakPolarHBondContact OE1-CG 3.38Å; E396-Q400 PolarHBondContact OE1-NE2 2.73Å; K397-Q400 PolarHBondContact O-N 2.9Å; I398-Q400 VanDerWaalsContact C-N 3.35Å; I398-Q400 PolarHBondContact O-N 3.44Å; Q400-K404 VanDerWaalsContact O-CB 3.29Å; Q400-K404 WeakPolarHBondContact O-CB 3.33Å; Q400-K404 PolarHBondContact O-N 2.84Å
401	V	94.1	Very high	93.6	Very high	88 Å²	88	86.9 Å²	86.9	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-50.8	178.8	171.2	0	0	0	0	110.9	K397 I398 A403 K404 S405	K397-V401 WeakPolarHBondContact O-CG2 3.37Å; K397-V401 PolarHBondContact O-N 3.12Å; I398-V401 PolarHBondContact O-N 3.39Å; V401-A403 PolarHBondContact O-N 2.83Å; V401-K404 PolarHBondContact O-N 2.62Å; V401-S405 WeakPolarHBondContact O-CB 3.47Å; V401-S405 PolarHBondContact O-N 3.2Å
402	K	92.6	Very high	93.4	Very high	30 Å²	30	89.5 Å²	89.5	13%	0.13	43%	0.425	C	S	.	.	H	α-helix	trans	-60	-47.1	177.9	-74.4	-171.1	157.9	-167.1	0	112.2	I398 K404 S405 L406 E464 D465 R467	I398-K402 HydrophobicContact CG2-CD 4.16Å; I398-K402 HydrophobicContact CG2-CG 4.45Å; I398-K402 PolarHBondContact O-N 2.9Å; K402-K404 VanDerWaalsContact C-N 3.34Å; K402-K404 PolarHBondContact O-N 3.03Å; K402-S405 WeakPolarHBondContact O-CB 3.07Å; K402-S405 PolarHBondContact O-N 2.87Å; K402-L406 WeakPolarHBondContact O-CG 3.48Å; K402-L406 PolarHBondContact O-N 2.82Å; K402-E464 HydrophobicContact CB-CB 4.49Å; K402-E464 HydrophobicContact CB-CG 4.38Å; K402-E464 HydrophobicContact CG-CB 4.35Å; K402-E464 HydrophobicContact CG-CG 4.3Å; K402-D465 WeakPolarHBondContact CD-O 3.43Å; K402-D465 WeakPolarHBondContact CE-O 3.39Å; K402-D465 PolarHBondContact NZ-O 3.05Å; K402-D465 IonicContact NZ-OD1 2.72Å; K402-D465 PolarHBondContact NZ-OD1 3.42Å; K402-R467 PolarHBondContact NZ-O 3.5Å
403	A	92	Very high	93.2	Very high	28 Å²	28	86.9 Å²	86.9	23%	0.231	41%	0.411	C	S	.	.	H	α-helix	trans	-59.6	-43.7	177.1	0	0	0	0	0	111.7	R399 V401 S405 L406 Y407	R399-A403 WeakPolarHBondContact O-CB 3.33Å; R399-A403 PolarHBondContact O-N 2.85Å; V401-A403 PolarHBondContact O-N 2.83Å; A403-S405 PolarHBondContact O-N 2.83Å; A403-L406 PolarHBondContact O-N 3.36Å; A403-Y407 HydrophobicContact CB-CD2 4.39Å; A403-Y407 HydrophobicContact CB-CE2 4.35Å; A403-Y407 WeakPolarHBondContact O-CB 3.02Å; A403-Y407 WeakPolarHBondContact O-CD2 3.43Å; A403-Y407 PolarHBondContact O-N 2.82Å
404	K	93.7	Very high	93	Very high	161 Å²	161	87.6 Å²	87.6	70%	0.7	41%	0.413	S	S	*	.	H	α-helix	trans	-63.4	-40.9	177.4	-175.1	176.9	179.8	179.3	0	112.4	Q400 V401 K402 L408	Q400-K404 VanDerWaalsContact O-CB 3.29Å; Q400-K404 WeakPolarHBondContact O-CB 3.33Å; Q400-K404 PolarHBondContact O-N 2.84Å; V401-K404 PolarHBondContact O-N 2.62Å; K402-K404 VanDerWaalsContact C-N 3.34Å; K402-K404 PolarHBondContact O-N 3.03Å; K404-L408 WeakPolarHBondContact O-CB 3.44Å; K404-L408 PolarHBondContact O-N 3.26Å
405	S	92.3	Very high	92.8	Very high	36 Å²	36	88.7 Å²	88.7	25%	0.252	42%	0.42	S	S	.	.	H	α-helix	trans	-58.3	-52.3	175.4	-165	0	0	0	0	110.7	V401 K402 A403 L408 Q409 E464	V401-S405 WeakPolarHBondContact O-CB 3.47Å; V401-S405 PolarHBondContact O-N 3.2Å; K402-S405 WeakPolarHBondContact O-CB 3.07Å; K402-S405 PolarHBondContact O-N 2.87Å; A403-S405 PolarHBondContact O-N 2.83Å; S405-L408 PolarHBondContact O-N 3.46Å; S405-Q409 PolarHBondContact O-N 3.44Å; S405-E464 VanDerWaalsContact CB-OE1 3.32Å; S405-E464 WeakPolarHBondContact CB-OE1 3.39Å; S405-E464 PolarHBondContact OG-OE1 2.66Å
406	L	91.3	Very high	92.5	Very high	58 Å²	58	86.5 Å²	86.5	30%	0.304	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-41	178.6	-67.8	171.3	0	0	0	113.3	K402 A403 L408 Q409 V410 P462 E464	K402-L406 WeakPolarHBondContact O-CG 3.48Å; K402-L406 PolarHBondContact O-N 2.82Å; A403-L406 PolarHBondContact O-N 3.36Å; L406-L408 PolarHBondContact O-N 2.98Å; L406-Q409 PolarHBondContact O-N 2.88Å; L406-V410 WeakPolarHBondContact O-CG2 3.43Å; L406-V410 PolarHBondContact O-N 2.85Å; L406-P462 HydrophobicContact CD2-CB 4.04Å; L406-E464 HydrophobicContact CD1-CB 4.27Å; L406-E464 HydrophobicContact CD2-CB 4.07Å; L406-E464 HydrophobicContact CD2-CG 4.45Å; L406-E464 HydrophobicContact CG-CB 4.04Å; L406-E464 HydrophobicContact CG-CG 4.21Å
407	Y	93.1	Very high	92.2	Very high	178 Å²	178	87.7 Å²	87.7	70%	0.698	41%	0.414	S	S	*	.	H	α-helix	trans	-61.9	-43.5	175.7	-82.8	-58.6	0	0	0	111.9	A403 Q409 V410 E411	A403-Y407 HydrophobicContact CB-CD2 4.39Å; A403-Y407 HydrophobicContact CB-CE2 4.35Å; A403-Y407 WeakPolarHBondContact O-CB 3.02Å; A403-Y407 WeakPolarHBondContact O-CD2 3.43Å; A403-Y407 PolarHBondContact O-N 2.82Å; Y407-Q409 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.34Å; Y407-V410 PolarHBondContact O-N 3.01Å; Y407-E411 PolarHBondContact O-N 2.91Å
408	L	92.1	Very high	92.1	Very high	110 Å²	110	87 Å²	87	58%	0.576	42%	0.415	S	S	*	.	H	α-helix	trans	-66.1	-36.3	177.6	-170.6	68.8	0	0	0	111.8	K404 S405 L406 K412	K404-L408 WeakPolarHBondContact O-CB 3.44Å; K404-L408 PolarHBondContact O-N 3.26Å; S405-L408 PolarHBondContact O-N 3.46Å; L406-L408 PolarHBondContact O-N 2.98Å; L408-K412 WeakPolarHBondContact O-CB 3.29Å; L408-K412 PolarHBondContact O-N 3.45Å
409	Q	91.4	Very high	91.9	Very high	12 Å²	12	87.4 Å²	87.4	6%	0.056	41%	0.414	C	S	.	.	H	α-helix	trans	-63.4	-47.8	172.2	-177.9	178.4	4.7	0	0	111.6	S405 L406 Y407 E411 K412 L413 L459 Q461	S405-Q409 PolarHBondContact O-N 3.44Å; L406-Q409 PolarHBondContact O-N 2.88Å; Y407-Q409 VanDerWaalsContact C-N 3.33Å; Y407-Q409 PolarHBondContact O-N 3.34Å; Q409-E411 VanDerWaalsContact C-N 3.33Å; Q409-E411 PolarHBondContact O-N 3.23Å; Q409-K412 PolarHBondContact O-N 3.22Å; Q409-L413 HydrophobicContact CG-CD1 4.19Å; Q409-L413 WeakPolarHBondContact O-CB 3.45Å; Q409-L413 WeakPolarHBondContact O-CG 3.44Å; Q409-L413 PolarHBondContact O-N 3.09Å; Q409-L459 HydrophobicContact CG-CD2 4.32Å; Q409-L459 PolarHBondContact NE2-O 2.94Å; Q409-Q461 PolarHBondContact NE2-O 3.35Å
410	V	91.6	Very high	91.6	Very high	64 Å²	64	82.7 Å²	82.7	39%	0.388	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-41	177.2	167.6	0	0	0	0	111.5	L406 Y407 L413 R414	L406-V410 WeakPolarHBondContact O-CG2 3.43Å; L406-V410 PolarHBondContact O-N 2.85Å; Y407-V410 PolarHBondContact O-N 3.01Å; V410-L413 PolarHBondContact O-N 3.25Å; V410-R414 WeakPolarHBondContact O-CG 3.12Å; V410-R414 PolarHBondContact O-N 3.35Å
411	E	93.6	Very high	91.4	Very high	105 Å²	105	80.8 Å²	80.8	49%	0.491	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-48.5	175.7	-165.9	-171.4	161.5	0	0	111.4	Y407 Q409 L413 R414 Q415	Y407-E411 PolarHBondContact O-N 2.91Å; Q409-E411 VanDerWaalsContact C-N 3.33Å; Q409-E411 PolarHBondContact O-N 3.23Å; E411-L413 VanDerWaalsContact C-N 3.32Å; E411-L413 PolarHBondContact O-N 3.4Å; E411-R414 PolarHBondContact O-N 2.98Å; E411-Q415 WeakPolarHBondContact O-CG 3.39Å; E411-Q415 PolarHBondContact O-N 3.38Å; E411-Q415 PolarHBondContact OE1-NE2 3.29Å; E411-Q415 VanDerWaalsContact OE1-NE2 3.12Å
412	K	90.4	Very high	91.3	Very high	110 Å²	110	82.2 Å²	82.2	48%	0.478	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-35.5	178.6	-169.7	172.1	-176.6	176.4	0	112.7	L408 Q409 N416 L459	L408-K412 WeakPolarHBondContact O-CB 3.29Å; L408-K412 PolarHBondContact O-N 3.45Å; Q409-K412 PolarHBondContact O-N 3.22Å; K412-N416 PolarHBondContact O-N 3.2Å; K412-N416 VanDerWaalsContact O-N 3.15Å; K412-N416 PolarHBondContact O-ND2 3.29Å; K412-L459 HydrophobicContact CD-CD1 3.91Å; K412-L459 HydrophobicContact CG-CD1 4.29Å
413	L	90.1	Very high	91.1	Very high	51 Å²	51	81.4 Å²	81.4	27%	0.267	39%	0.394	S	S	.	.	H	α-helix	trans	-65.3	-46.6	172.3	-75	172.3	0	0	0	111.6	Q409 V410 E411 Q415 N416 L417 V456 L459 L460	Q409-L413 HydrophobicContact CG-CD1 4.19Å; Q409-L413 WeakPolarHBondContact O-CB 3.45Å; Q409-L413 WeakPolarHBondContact O-CG 3.44Å; Q409-L413 PolarHBondContact O-N 3.09Å; V410-L413 PolarHBondContact O-N 3.25Å; E411-L413 VanDerWaalsContact C-N 3.32Å; E411-L413 PolarHBondContact O-N 3.4Å; L413-Q415 PolarHBondContact O-N 2.95Å; L413-N416 PolarHBondContact O-N 2.62Å; L413-L417 WeakPolarHBondContact O-CB 3.2Å; L413-L417 PolarHBondContact O-N 3.02Å; L413-V456 HydrophobicContact CD2-CG1 4.14Å; L413-L459 HydrophobicContact CD2-CB 3.94Å; L413-L460 HydrophobicContact CD2-CD2 4.09Å
414	R	92.4	Very high	91	Very high	170 Å²	170	82.7 Å²	82.7	64%	0.642	40%	0.396	S	S	*	.	H	α-helix	trans	-60.3	-42.5	176	-74	172.4	175	-172.1	-1.7	112.4	V410 E411 N416 L417 N418	V410-R414 WeakPolarHBondContact O-CG 3.12Å; V410-R414 PolarHBondContact O-N 3.35Å; E411-R414 PolarHBondContact O-N 2.98Å; R414-N416 VanDerWaalsContact C-N 3.34Å; R414-N416 PolarHBondContact O-N 3.23Å; R414-L417 PolarHBondContact O-N 2.91Å; R414-N418 VanDerWaalsContact O-CG 3.25Å; R414-N418 PolarHBondContact O-N 3.05Å; R414-N418 PolarHBondContact O-OD1 2.89Å
415	Q	90.4	Very high	90.9	Very high	103 Å²	103	78.3 Å²	78.3	48%	0.481	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-42.3	175.7	-70.5	175.1	11.3	0	0	111.9	E411 L413 K419	E411-Q415 WeakPolarHBondContact O-CG 3.39Å; E411-Q415 PolarHBondContact O-N 3.38Å; E411-Q415 PolarHBondContact OE1-NE2 3.29Å; E411-Q415 VanDerWaalsContact OE1-NE2 3.12Å; L413-Q415 PolarHBondContact O-N 2.95Å; Q415-K419 WeakPolarHBondContact O-CG 3.26Å; Q415-K419 PolarHBondContact O-N 2.88Å; Q415-K419 VanDerWaalsContact O-N 3.16Å
416	N	88.3	Confident	90.6	Very high	21 Å²	21	78.5 Å²	78.5	11%	0.112	39%	0.39	C	S	.	.	H	α-helix	trans	-73.3	-34.4	178.1	-71.9	-28.7	0	0	0	113.2	K412 L413 R414 K419 L420 V456	K412-N416 PolarHBondContact O-N 3.2Å; K412-N416 VanDerWaalsContact O-N 3.15Å; K412-N416 PolarHBondContact O-ND2 3.29Å; L413-N416 PolarHBondContact O-N 2.62Å; R414-N416 VanDerWaalsContact C-N 3.34Å; R414-N416 PolarHBondContact O-N 3.23Å; N416-K419 PolarHBondContact O-N 2.9Å; N416-K419 PolarHBondContact OD1-NZ 2.63Å; N416-L420 PolarHBondContact O-N 3.46Å; N416-L420 VanDerWaalsContact O-N 3.08Å; N416-V456 HydrophobicContact CB-CG2 4.36Å
417	L	89.9	Confident	90.4	Very high	92 Å²	92	76.7 Å²	76.7	48%	0.482	38%	0.381	S	S	.	.	H	α-helix	trans	-61.4	-50.7	172.3	-178.8	60.1	0	0	0	110.4	L413 R414 K419 L420 D421	L413-L417 WeakPolarHBondContact O-CB 3.2Å; L413-L417 PolarHBondContact O-N 3.02Å; R414-L417 PolarHBondContact O-N 2.91Å; L417-K419 VanDerWaalsContact C-N 3.3Å; L417-K419 PolarHBondContact O-N 3.11Å; L417-L420 WeakPolarHBondContact O-CA 3.4Å; L417-L420 WeakPolarHBondContact O-CB 3.39Å; L417-L420 PolarHBondContact O-N 2.85Å; L417-D421 WeakPolarHBondContact CG-OD2 3.38Å; L417-D421 PolarHBondContact O-N 3.23Å
418	N	91.6	Very high	90.2	Very high	94 Å²	94	73.1 Å²	73.1	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-36.9	177.2	-67.4	4	0	0	0	112.9	R414 N422	R414-N418 VanDerWaalsContact O-CG 3.25Å; R414-N418 PolarHBondContact O-N 3.05Å; R414-N418 PolarHBondContact O-OD1 2.89Å; N418-N422 VanDerWaalsContact O-CB 3.3Å; N418-N422 WeakPolarHBondContact O-CB 3.42Å; N418-N422 PolarHBondContact O-N 2.7Å; N418-N422 VanDerWaalsContact O-N 3.15Å; N418-N422 PolarHBondContact O-ND2 2.87Å
419	K	89	Confident	90	Very high	90 Å²	90	73.3 Å²	73.3	39%	0.391	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-44.1	172.4	-75.9	175.8	177.8	173.8	0	111.8	Q415 N416 L417 T423 E452	Q415-K419 WeakPolarHBondContact O-CG 3.26Å; Q415-K419 PolarHBondContact O-N 2.88Å; Q415-K419 VanDerWaalsContact O-N 3.16Å; N416-K419 PolarHBondContact O-N 2.9Å; N416-K419 PolarHBondContact OD1-NZ 2.63Å; L417-K419 VanDerWaalsContact C-N 3.3Å; L417-K419 PolarHBondContact O-N 3.11Å; K419-T423 WeakPolarHBondContact O-CB 3.34Å; K419-T423 PolarHBondContact O-N 3.48Å; K419-T423 VanDerWaalsContact O-N 3.1Å; K419-T423 PolarHBondContact O-OG1 3.4Å; K419-E452 IonicContact NZ-OE1 3.22Å; K419-E452 PolarHBondContact NZ-OE1 2.9Å
420	L	88.6	Confident	89.8	Confident	27 Å²	27	74.8 Å²	74.8	14%	0.141	38%	0.378	C	S	.	.	H	α-helix	trans	-66.8	-50.1	-178.6	-177.4	66.5	0	0	0	110.5	N416 L417 N422 T423 I424 L453	N416-L420 PolarHBondContact O-N 3.46Å; N416-L420 VanDerWaalsContact O-N 3.08Å; L417-L420 WeakPolarHBondContact O-CA 3.4Å; L417-L420 WeakPolarHBondContact O-CB 3.39Å; L417-L420 PolarHBondContact O-N 2.85Å; L420-N422 VanDerWaalsContact C-N 3.33Å; L420-N422 PolarHBondContact O-N 2.87Å; L420-T423 CarbonylContact O-C 3.56Å; L420-T423 WeakPolarHBondContact O-CA 3.39Å; L420-T423 PolarHBondContact O-N 3.47Å; L420-I424 HydrophobicContact CD1-CD1 4.05Å; L420-I424 HydrophobicContact CD1-CG1 4.25Å; L420-I424 HydrophobicContact CD2-CD1 4.21Å; L420-I424 HydrophobicContact CG-CD1 3.72Å; L420-I424 HydrophobicContact CG-CG1 4.28Å; L420-I424 WeakPolarHBondContact O-CG1 3.43Å; L420-I424 PolarHBondContact O-N 2.96Å; L420-L453 HydrophobicContact CD1-CD1 3.78Å; L420-L453 HydrophobicContact CD1-CG 4.39Å; L420-L453 HydrophobicContact CD2-CD1 3.93Å; L420-L453 HydrophobicContact CD2-CD2 4.23Å; L420-L453 HydrophobicContact CG-CD1 4.48Å
421	D	91.6	Very high	89.5	Confident	69 Å²	69	76.8 Å²	76.8	37%	0.369	39%	0.386	S	S	.	.	H	α-helix	trans	-60.9	-41.9	-178.5	-63.2	-22.5	0	0	0	111.6	L417 T423 I424 S425	L417-D421 WeakPolarHBondContact CG-OD2 3.38Å; L417-D421 PolarHBondContact O-N 3.23Å; D421-T423 VanDerWaalsContact C-N 3.31Å; D421-T423 PolarHBondContact O-N 3.02Å; D421-I424 PolarHBondContact O-N 2.66Å; D421-S425 WeakPolarHBondContact O-CB 3.33Å; D421-S425 PolarHBondContact O-N 3.12Å; D421-S425 PolarHBondContact O-OG 3.23Å
422	N	90.9	Very high	89.1	Confident	118 Å²	118	79.4 Å²	79.4	63%	0.631	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-35.7	173.5	-76.6	-37.8	0	0	0	112.4	N418 L420 A426	N418-N422 VanDerWaalsContact O-CB 3.3Å; N418-N422 WeakPolarHBondContact O-CB 3.42Å; N418-N422 PolarHBondContact O-N 2.7Å; N418-N422 VanDerWaalsContact O-N 3.15Å; N418-N422 PolarHBondContact O-ND2 2.87Å; L420-N422 VanDerWaalsContact C-N 3.33Å; L420-N422 PolarHBondContact O-N 2.87Å; N422-A426 WeakPolarHBondContact O-CB 3.17Å; N422-A426 PolarHBondContact O-N 2.76Å
423	T	88.7	Confident	88.6	Confident	12 Å²	12	81.2 Å²	81.2	7%	0.074	41%	0.409	C	S	.	.	H	α-helix	trans	-74.6	-41.9	177.6	-55.8	0	0	0	0	111.3	K419 L420 D421 A426 V427 R445 M446 Q449	K419-T423 WeakPolarHBondContact O-CB 3.34Å; K419-T423 PolarHBondContact O-N 3.48Å; K419-T423 VanDerWaalsContact O-N 3.1Å; K419-T423 PolarHBondContact O-OG1 3.4Å; L420-T423 CarbonylContact O-C 3.56Å; L420-T423 WeakPolarHBondContact O-CA 3.39Å; L420-T423 PolarHBondContact O-N 3.47Å; D421-T423 VanDerWaalsContact C-N 3.31Å; D421-T423 PolarHBondContact O-N 3.02Å; T423-A426 PolarHBondContact O-N 3.03Å; T423-V427 HydrophobicContact CG2-CG2 4.28Å; T423-V427 WeakPolarHBondContact O-CB 3.49Å; T423-V427 WeakPolarHBondContact O-CG2 3.31Å; T423-V427 PolarHBondContact O-N 3.17Å; T423-R445 HydrophobicContact CG2-CG 4.34Å; T423-M446 HydrophobicContact CG2-SD 4.32Å; T423-Q449 HydrophobicContact CG2-CB 4.36Å; T423-Q449 HydrophobicContact CG2-CG 3.94Å
424	I	90.3	Very high	87.9	Confident	56 Å²	56	80.3 Å²	80.3	29%	0.287	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-50.6	175.2	-71.8	173.9	0	0	0	109.9	L420 D421 A426 V427 Q428 M446	L420-I424 HydrophobicContact CD1-CD1 4.05Å; L420-I424 HydrophobicContact CD1-CG1 4.25Å; L420-I424 HydrophobicContact CD2-CD1 4.21Å; L420-I424 HydrophobicContact CG-CD1 3.72Å; L420-I424 HydrophobicContact CG-CG1 4.28Å; L420-I424 WeakPolarHBondContact O-CG1 3.43Å; L420-I424 PolarHBondContact O-N 2.96Å; D421-I424 PolarHBondContact O-N 2.66Å; I424-A426 PolarHBondContact O-N 3.25Å; I424-V427 PolarHBondContact O-N 2.87Å; I424-V427 VanDerWaalsContact O-N 3.15Å; I424-Q428 HydrophobicContact CG2-CG 4.32Å; I424-Q428 WeakPolarHBondContact O-CB 3.39Å; I424-Q428 WeakPolarHBondContact O-CG 3.42Å; I424-Q428 PolarHBondContact O-N 2.83Å; I424-M446 HydrophobicContact CD1-CE 4.49Å; I424-M446 HydrophobicContact CG1-CE 3.87Å; I424-M446 HydrophobicContact CG1-SD 4.46Å
425	S	90.7	Very high	87.2	Confident	68 Å²	68	81.7 Å²	81.7	48%	0.476	42%	0.417	S	S	.	.	H	α-helix	trans	-57.4	-46	178.9	-54.6	0	0	0	0	112	D421 V427 Q428 Q429	D421-S425 WeakPolarHBondContact O-CB 3.33Å; D421-S425 PolarHBondContact O-N 3.12Å; D421-S425 PolarHBondContact O-OG 3.23Å; S425-V427 PolarHBondContact O-N 2.83Å; S425-Q428 PolarHBondContact O-N 3.27Å; S425-Q429 PolarHBondContact O-N 2.68Å
426	A	87	Confident	86.5	Confident	41 Å²	41	82.6 Å²	82.6	34%	0.339	43%	0.429	S	S	.	.	H	α-helix	trans	-67	-35	178.3	0	0	0	0	0	113.1	N422 T423 I424 V430	N422-A426 WeakPolarHBondContact O-CB 3.17Å; N422-A426 PolarHBondContact O-N 2.76Å; T423-A426 PolarHBondContact O-N 3.03Å; I424-A426 PolarHBondContact O-N 3.25Å; A426-V430 WeakPolarHBondContact O-CG2 3.29Å; A426-V430 PolarHBondContact O-N 3.03Å
427	V	87.8	Confident	86.1	Confident	20 Å²	20	87.3 Å²	87.3	12%	0.121	45%	0.453	C	S	.	.	H	α-helix	trans	-72.8	-37.8	176.4	170.5	0	0	0	0	111	T423 I424 S425 V430 L431 A442 M446	T423-V427 HydrophobicContact CG2-CG2 4.28Å; T423-V427 WeakPolarHBondContact O-CB 3.49Å; T423-V427 WeakPolarHBondContact O-CG2 3.31Å; T423-V427 PolarHBondContact O-N 3.17Å; I424-V427 PolarHBondContact O-N 2.87Å; I424-V427 VanDerWaalsContact O-N 3.15Å; S425-V427 PolarHBondContact O-N 2.83Å; V427-V430 PolarHBondContact O-N 3.18Å; V427-L431 HydrophobicContact CG1-CD1 3.98Å; V427-L431 VanDerWaalsContact O-CG 3.28Å; V427-L431 WeakPolarHBondContact O-CG 3.48Å; V427-L431 PolarHBondContact O-N 3.46Å; V427-A442 HydrophobicContact CG1-CB 4.42Å; V427-A442 HydrophobicContact CG2-CB 4.2Å; V427-M446 HydrophobicContact CG2-CB 4.13Å
428	Q	88	Confident	85.7	Confident	103 Å²	103	86 Å²	86	48%	0.481	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-50.9	174.1	-75	172.3	-50.7	0	0	111.1	I424 S425 V430 L431 E432	I424-Q428 HydrophobicContact CG2-CG 4.32Å; I424-Q428 WeakPolarHBondContact O-CB 3.39Å; I424-Q428 WeakPolarHBondContact O-CG 3.42Å; I424-Q428 PolarHBondContact O-N 2.83Å; S425-Q428 PolarHBondContact O-N 3.27Å; Q428-V430 VanDerWaalsContact C-N 3.3Å; Q428-V430 PolarHBondContact O-N 3.18Å; Q428-L431 WeakPolarHBondContact O-CB 3.47Å; Q428-L431 PolarHBondContact O-N 2.93Å; Q428-E432 PolarHBondContact O-N 3.27Å
429	Q	87.4	Confident	85.3	Confident	113 Å²	113	84.5 Å²	84.5	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-59	-40.1	178.1	-170.2	179.4	8.7	0	0	112.5	S425 L431 E432 E433	S425-Q429 PolarHBondContact O-N 2.68Å; Q429-L431 VanDerWaalsContact C-N 3.3Å; Q429-L431 PolarHBondContact O-N 3.47Å; Q429-E432 PolarHBondContact O-N 2.77Å; Q429-E433 WeakPolarHBondContact CG-OE2 3.37Å; Q429-E433 PolarHBondContact NE2-OE2 2.81Å; Q429-E433 PolarHBondContact O-N 3.1Å
430	V	88.3	Confident	85	Confident	43 Å²	43	84.8 Å²	84.8	26%	0.261	44%	0.443	S	S	.	.	H	α-helix	trans	-70.1	-24.9	176.8	172.8	0	0	0	0	112.8	A426 V427 Q428 G434 D438 I439 A442	A426-V430 WeakPolarHBondContact O-CG2 3.29Å; A426-V430 PolarHBondContact O-N 3.03Å; V427-V430 PolarHBondContact O-N 3.18Å; Q428-V430 VanDerWaalsContact C-N 3.3Å; Q428-V430 PolarHBondContact O-N 3.18Å; V430-G434 WeakPolarHBondContact O-CA 3.29Å; V430-G434 PolarHBondContact O-N 2.99Å; V430-G434 VanDerWaalsContact O-N 3.09Å; V430-D438 HydrophobicContact CG1-CB 3.69Å; V430-I439 HydrophobicContact CG1-CG1 4.35Å; V430-A442 HydrophobicContact CB-CB 4.18Å; V430-A442 HydrophobicContact CG1-CB 3.81Å
431	L	83.9	Confident	84.8	Confident	107 Å²	107	88.9 Å²	88.9	56%	0.56	47%	0.465	S	S	*	.	H	α-helix	trans	-78.6	-24.6	172.3	-72.2	167.1	0	0	0	113	V427 Q428 Q429 I439	V427-L431 HydrophobicContact CG1-CD1 3.98Å; V427-L431 VanDerWaalsContact O-CG 3.28Å; V427-L431 WeakPolarHBondContact O-CG 3.48Å; V427-L431 PolarHBondContact O-N 3.46Å; Q428-L431 WeakPolarHBondContact O-CB 3.47Å; Q428-L431 PolarHBondContact O-N 2.93Å; Q429-L431 VanDerWaalsContact C-N 3.3Å; Q429-L431 PolarHBondContact O-N 3.47Å; L431-I439 HydrophobicContact CD2-CG1 4.49Å; L431-I439 HydrophobicContact CD2-CG2 3.96Å
432	E	84.9	Confident	84.5	Confident	159 Å²	159	86.1 Å²	86.1	74%	0.743	45%	0.451	S	S	*	.	H	α-helix	trans	-88.5	-40.8	179.1	-70.2	172.4	-176.2	0	0	112.7	Q428 Q429	Q428-E432 PolarHBondContact O-N 3.27Å; Q429-E432 PolarHBondContact O-N 2.77Å
433	E	80.6	Confident	84.3	Confident	149 Å²	149	88 Å²	88	70%	0.696	45%	0.449	S	S	*	.	H	α-helix	trans	-120.6	-8.3	-170.8	-54.8	-174	126.1	0	0	114.6	Q429	Q429-E433 WeakPolarHBondContact CG-OE2 3.37Å; Q429-E433 PolarHBondContact NE2-OE2 2.81Å; Q429-E433 PolarHBondContact O-N 3.1Å
434	G	76.3	Confident	84.1	Confident	31 Å²	31	91.9 Å²	91.9	32%	0.32	47%	0.47	S	S	.	.			trans	-82.3	163.4	-168.5	0	0	0	0	0	115.9	V430	V430-G434 WeakPolarHBondContact O-CA 3.29Å; V430-G434 PolarHBondContact O-N 2.99Å; V430-G434 VanDerWaalsContact O-N 3.09Å
435	R	77.8	Confident	83.9	Confident	200 Å²	200	96.9 Å²	96.9	76%	0.755	49%	0.485	S	S	*	.			trans	-87.4	163	174.6	-46.3	177.2	-166	173.7	7.1	110	I437 D438 I439	R435-I437 PolarHBondContact O-N 3Å; R435-D438 WeakPolarHBondContact CA-OD2 3.29Å; R435-D438 WeakPolarHBondContact CB-OD2 3.45Å; R435-D438 WeakPolarHBondContact CG-OD2 3.25Å; R435-D438 PolarHBondContact N-OD2 3.5Å; R435-D438 WeakPolarHBondContact O-CB 3.43Å; R435-D438 PolarHBondContact O-N 3.24Å; R435-I439 PolarHBondContact O-N 3.04Å
436	T	74	Confident	83.8	Confident	121 Å²	121	96 Å²	96	74%	0.742	47%	0.474	S	S	*	.	H	α-helix	trans	-53.3	-28.4	-175.7	-36.1	0	0	0	0	114.8
437	I	80.6	Confident	83.7	Confident	121 Å²	121	97.8 Å²	97.8	62%	0.621	48%	0.477	S	S	*	.	H	α-helix	trans	-80.1	-39.7	177.3	-63	172.5	0	0	0	111.3	R435 I439 L440 L441	R435-I437 PolarHBondContact O-N 3Å; I437-I439 VanDerWaalsContact C-N 3.27Å; I437-I439 PolarHBondContact O-N 2.88Å; I437-L440 WeakPolarHBondContact O-CB 3.5Å; I437-L440 PolarHBondContact O-N 3.48Å; I437-L440 VanDerWaalsContact O-N 3.1Å; I437-L441 PolarHBondContact O-N 3.24Å
438	D	82.8	Confident	83.7	Confident	63 Å²	63	99.3 Å²	99.3	34%	0.337	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-37.1	-177.8	-51	-47.7	0	0	0	110.8	V430 R435 L440 L441 A442	V430-D438 HydrophobicContact CG1-CB 3.69Å; R435-D438 WeakPolarHBondContact CA-OD2 3.29Å; R435-D438 WeakPolarHBondContact CB-OD2 3.45Å; R435-D438 WeakPolarHBondContact CG-OD2 3.25Å; R435-D438 PolarHBondContact N-OD2 3.5Å; R435-D438 WeakPolarHBondContact O-CB 3.43Å; R435-D438 PolarHBondContact O-N 3.24Å; D438-L440 VanDerWaalsContact C-N 3.28Å; D438-L440 PolarHBondContact O-N 3.07Å; D438-L441 PolarHBondContact O-N 3.29Å; D438-A442 WeakPolarHBondContact O-CB 3.47Å; D438-A442 PolarHBondContact O-N 3.45Å
439	I	82.1	Confident	83.6	Confident	63 Å²	63	96.1 Å²	96.1	32%	0.323	48%	0.477	S	S	.	.	H	α-helix	trans	-59.4	-36	175.1	-64.6	170.2	0	0	0	112	V430 L431 R435 I437 R443	V430-I439 HydrophobicContact CG1-CG1 4.35Å; L431-I439 HydrophobicContact CD2-CG1 4.49Å; L431-I439 HydrophobicContact CD2-CG2 3.96Å; R435-I439 PolarHBondContact O-N 3.04Å; I437-I439 VanDerWaalsContact C-N 3.27Å; I437-I439 PolarHBondContact O-N 2.88Å; I439-R443 WeakPolarHBondContact O-CB 3.39Å; I439-R443 PolarHBondContact O-N 3.39Å
440	L	82.9	Confident	83.4	Confident	96 Å²	96	93.8 Å²	93.8	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-70.4	-42.1	176.8	-63.3	174.5	0	0	0	111.4	I437 D438 R443 D444	I437-L440 WeakPolarHBondContact O-CB 3.5Å; I437-L440 PolarHBondContact O-N 3.48Å; I437-L440 VanDerWaalsContact O-N 3.1Å; D438-L440 VanDerWaalsContact C-N 3.28Å; D438-L440 PolarHBondContact O-N 3.07Å; L440-R443 WeakPolarHBondContact O-CB 3.1Å; L440-R443 PolarHBondContact O-N 3.03Å; L440-D444 PolarHBondContact O-N 3.19Å; L440-D444 VanDerWaalsContact O-N 3.09Å
441	L	85.3	Confident	83.2	Confident	114 Å²	114	97.3 Å²	97.3	60%	0.597	48%	0.484	S	S	*	.	H	α-helix	trans	-66.5	-37.7	176	-61.3	176.6	0	0	0	111.8	I437 D438 D444 R445	I437-L441 PolarHBondContact O-N 3.24Å; D438-L441 PolarHBondContact O-N 3.29Å; L441-D444 PolarHBondContact O-N 2.97Å; L441-R445 WeakPolarHBondContact O-CB 3.47Å; L441-R445 PolarHBondContact O-N 2.91Å
442	A	84.8	Confident	83.1	Confident	10 Å²	10	95.3 Å²	95.3	8%	0.083	47%	0.472	C	S	.	.	H	α-helix	trans	-64.2	-42.7	173.6	0	0	0	0	0	112	V427 V430 D438 R445 M446	V427-A442 HydrophobicContact CG1-CB 4.42Å; V427-A442 HydrophobicContact CG2-CB 4.2Å; V430-A442 HydrophobicContact CB-CB 4.18Å; V430-A442 HydrophobicContact CG1-CB 3.81Å; D438-A442 WeakPolarHBondContact O-CB 3.47Å; D438-A442 PolarHBondContact O-N 3.45Å; A442-R445 PolarHBondContact O-N 3.25Å; A442-M446 WeakPolarHBondContact O-CB 3.31Å; A442-M446 PolarHBondContact O-N 2.8Å
443	R	85.6	Confident	82.9	Confident	157 Å²	157	90.8 Å²	90.8	59%	0.592	45%	0.453	S	S	*	.	H	α-helix	trans	-56.3	-51.1	173.2	171.7	-171.3	170.6	-166.6	-4	111.6	I439 L440 R445 M446 L447	I439-R443 WeakPolarHBondContact O-CB 3.39Å; I439-R443 PolarHBondContact O-N 3.39Å; L440-R443 WeakPolarHBondContact O-CB 3.1Å; L440-R443 PolarHBondContact O-N 3.03Å; R443-R445 PolarHBondContact O-N 2.73Å; R443-M446 PolarHBondContact O-N 3.29Å; R443-L447 HydrophobicContact CG-CD1 3.99Å; R443-L447 HydrophobicContact CG-CG 4.47Å; R443-L447 WeakPolarHBondContact O-CG 3.12Å; R443-L447 PolarHBondContact O-N 2.75Å
444	D	86.2	Confident	82.8	Confident	95 Å²	95	90.6 Å²	90.6	51%	0.508	45%	0.45	S	S	.	.	H	α-helix	trans	-68.4	-36.5	-175.7	-71.1	-15.4	0	0	0	111.8	L440 L441 L447 A448	L440-D444 PolarHBondContact O-N 3.19Å; L440-D444 VanDerWaalsContact O-N 3.09Å; L441-D444 PolarHBondContact O-N 2.97Å; D444-L447 PolarHBondContact O-N 3.4Å; D444-A448 PolarHBondContact O-N 3.22Å
445	R	85.7	Confident	83	Confident	161 Å²	161	95.5 Å²	95.5	61%	0.608	47%	0.469	S	S	*	.	H	α-helix	trans	-62.9	-40.2	171.6	-171.2	175	-177.1	165.8	0.6	112.5	T423 L441 A442 R443 A448 Q449	T423-R445 HydrophobicContact CG2-CG 4.34Å; L441-R445 WeakPolarHBondContact O-CB 3.47Å; L441-R445 PolarHBondContact O-N 2.91Å; A442-R445 PolarHBondContact O-N 3.25Å; R443-R445 PolarHBondContact O-N 2.73Å; R445-A448 PolarHBondContact O-N 2.92Å; R445-Q449 PolarHBondContact O-N 3.29Å; R445-Q449 VanDerWaalsContact O-N 3.15Å
446	M	87.1	Confident	83.1	Confident	50 Å²	50	86.6 Å²	86.6	25%	0.246	44%	0.436	C	S	.	.	H	α-helix	trans	-69.1	-40.8	175.7	-170.6	56.6	177.2	0	0	111.7	T423 I424 V427 A442 R443 A448 Q449 V450	T423-M446 HydrophobicContact CG2-SD 4.32Å; I424-M446 HydrophobicContact CD1-CE 4.49Å; I424-M446 HydrophobicContact CG1-CE 3.87Å; I424-M446 HydrophobicContact CG1-SD 4.46Å; V427-M446 HydrophobicContact CG2-CB 4.13Å; A442-M446 WeakPolarHBondContact O-CB 3.31Å; A442-M446 PolarHBondContact O-N 2.8Å; R443-M446 PolarHBondContact O-N 3.29Å; M446-A448 VanDerWaalsContact C-N 3.3Å; M446-A448 PolarHBondContact O-N 2.8Å; M446-Q449 PolarHBondContact O-N 2.91Å; M446-V450 HydrophobicContact CE-CG2 3.94Å; M446-V450 HydrophobicContact CG-CG2 4.37Å; M446-V450 WeakPolarHBondContact O-CB 3.22Å; M446-V450 WeakPolarHBondContact O-CG2 3.48Å; M446-V450 PolarHBondContact O-N 3.49Å; M446-V450 HydrophobicContact SD-CG2 4.32Å
447	L	86.5	Confident	83.4	Confident	77 Å²	77	90.3 Å²	90.3	40%	0.403	44%	0.437	S	S	.	.	H	α-helix	trans	-60.1	-39.7	174.1	-75.3	171.8	0	0	0	111.7	R443 D444 Q451	R443-L447 HydrophobicContact CG-CD1 3.99Å; R443-L447 HydrophobicContact CG-CG 4.47Å; R443-L447 WeakPolarHBondContact O-CG 3.12Å; R443-L447 PolarHBondContact O-N 2.75Å; D444-L447 PolarHBondContact O-N 3.4Å; L447-Q451 VanDerWaalsContact O-CG 3.24Å; L447-Q451 WeakPolarHBondContact O-CG 3.48Å; L447-Q451 PolarHBondContact O-N 3.09Å
448	A	86.6	Confident	83.1	Confident	53 Å²	53	87.5 Å²	87.5	44%	0.438	44%	0.438	S	S	.	.	H	α-helix	trans	-63.2	-45.8	174.4	0	0	0	0	0	112.4	D444 R445 M446 Q451 E452	D444-A448 PolarHBondContact O-N 3.22Å; R445-A448 PolarHBondContact O-N 2.92Å; M446-A448 VanDerWaalsContact C-N 3.3Å; M446-A448 PolarHBondContact O-N 2.8Å; A448-Q451 WeakPolarHBondContact O-CB 3.07Å; A448-Q451 PolarHBondContact O-N 3.24Å; A448-E452 PolarHBondContact O-N 3.35Å
449	Q	85.8	Confident	83	Confident	35 Å²	35	85.4 Å²	85.4	16%	0.164	43%	0.427	C	S	.	.	H	α-helix	trans	-68.5	-37	176.9	-77.8	-57.4	-59.4	0	0	113.4	T423 R445 M446 Q451 E452 L453	T423-Q449 HydrophobicContact CG2-CB 4.36Å; T423-Q449 HydrophobicContact CG2-CG 3.94Å; R445-Q449 PolarHBondContact O-N 3.29Å; R445-Q449 VanDerWaalsContact O-N 3.15Å; M446-Q449 PolarHBondContact O-N 2.91Å; Q449-Q451 PolarHBondContact O-N 2.88Å; Q449-E452 PolarHBondContact NE2-OE2 3.05Å; Q449-E452 PolarHBondContact O-N 2.73Å; Q449-E452 VanDerWaalsContact O-N 3.14Å; Q449-L453 WeakPolarHBondContact O-CG 3.39Å; Q449-L453 PolarHBondContact O-N 3.18Å
450	V	83.7	Confident	83	Confident	64 Å²	64	88 Å²	88	39%	0.388	44%	0.44	S	S	.	.	H	α-helix	trans	-66.8	-24.1	173.2	172.6	0	0	0	0	111.8	M446	M446-V450 HydrophobicContact CE-CG2 3.94Å; M446-V450 HydrophobicContact CG-CG2 4.37Å; M446-V450 WeakPolarHBondContact O-CB 3.22Å; M446-V450 WeakPolarHBondContact O-CG2 3.48Å; M446-V450 PolarHBondContact O-N 3.49Å; M446-V450 HydrophobicContact SD-CG2 4.32Å
451	Q	83.5	Confident	83	Confident	117 Å²	117	90.9 Å²	90.9	55%	0.547	45%	0.451	S	S	.	.	H	α-helix	trans	-76.7	-43.3	167.1	-70.6	172.4	30.7	0	0	112.1	L447 A448 Q449 L453 K454	L447-Q451 VanDerWaalsContact O-CG 3.24Å; L447-Q451 WeakPolarHBondContact O-CG 3.48Å; L447-Q451 PolarHBondContact O-N 3.09Å; A448-Q451 WeakPolarHBondContact O-CB 3.07Å; A448-Q451 PolarHBondContact O-N 3.24Å; Q449-Q451 PolarHBondContact O-N 2.88Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.34Å; Q451-K454 WeakPolarHBondContact O-CB 3.49Å; Q451-K454 PolarHBondContact O-N 2.9Å
452	E	82.6	Confident	83	Confident	65 Å²	65	90.3 Å²	90.3	30%	0.304	45%	0.454	S	S	.	.	H	α-helix	trans	-59.3	-37.9	175.8	-165.4	177.1	158.5	0	0	111.6	K419 A448 Q449 K454 N455 V456	K419-E452 IonicContact NZ-OE1 3.22Å; K419-E452 PolarHBondContact NZ-OE1 2.9Å; A448-E452 PolarHBondContact O-N 3.35Å; Q449-E452 PolarHBondContact NE2-OE2 3.05Å; Q449-E452 PolarHBondContact O-N 2.73Å; Q449-E452 VanDerWaalsContact O-N 3.14Å; E452-K454 PolarHBondContact O-N 2.79Å; E452-N455 WeakPolarHBondContact O-CA 3.31Å; E452-N455 VanDerWaalsContact O-CB 3.3Å; E452-N455 WeakPolarHBondContact O-CB 3.4Å; E452-N455 PolarHBondContact O-N 2.92Å; E452-V456 PolarHBondContact O-N 3.19Å
453	L	81.3	Confident	83	Confident	65 Å²	65	95.2 Å²	95.2	34%	0.34	48%	0.475	S	S	.	.	H	α-helix	trans	-57	-29.5	173.4	-78.7	178.4	0	0	0	114.2	L420 Q449 Q451 N455 V456 R457	L420-L453 HydrophobicContact CD1-CD1 3.78Å; L420-L453 HydrophobicContact CD1-CG 4.39Å; L420-L453 HydrophobicContact CD2-CD1 3.93Å; L420-L453 HydrophobicContact CD2-CD2 4.23Å; L420-L453 HydrophobicContact CG-CD1 4.48Å; Q449-L453 WeakPolarHBondContact O-CG 3.39Å; Q449-L453 PolarHBondContact O-N 3.18Å; Q451-L453 VanDerWaalsContact C-N 3.28Å; Q451-L453 PolarHBondContact O-N 3.34Å; L453-N455 PolarHBondContact O-N 2.98Å; L453-V456 PolarHBondContact O-N 2.74Å; L453-V456 VanDerWaalsContact O-N 3.08Å; L453-R457 PolarHBondContact O-N 2.84Å
454	K	79.1	Confident	83	Confident	145 Å²	145	90.7 Å²	90.7	63%	0.63	46%	0.461	S	S	*	.	H	α-helix	trans	-63.9	-31.6	175.5	-60.5	179.3	-176.4	178.6	0	111.3	Q451 E452 R457	Q451-K454 WeakPolarHBondContact O-CB 3.49Å; Q451-K454 PolarHBondContact O-N 2.9Å; E452-K454 PolarHBondContact O-N 2.79Å; K454-R457 VanDerWaalsContact O-CB 3.3Å; K454-R457 WeakPolarHBondContact O-CB 3.3Å; K454-R457 PolarHBondContact O-N 3.48Å
455	N	78.9	Confident	83	Confident	133 Å²	133	90.3 Å²	90.3	71%	0.711	46%	0.459	S	S	*	.	H	α-helix	trans	-76.4	-24.4	175.8	-53.8	-28.7	0	0	0	111.9	E452 L453 R457	E452-N455 WeakPolarHBondContact O-CA 3.31Å; E452-N455 VanDerWaalsContact O-CB 3.3Å; E452-N455 WeakPolarHBondContact O-CB 3.4Å; E452-N455 PolarHBondContact O-N 2.92Å; L453-N455 PolarHBondContact O-N 2.98Å; N455-R457 VanDerWaalsContact C-N 3.33Å
456	V	81.5	Confident	83	Confident	13 Å²	13	90 Å²	90	8%	0.079	47%	0.469	C	S	.	.	H	α-helix	trans	-78.3	-17	174.7	-172.7	0	0	0	0	112	L413 N416 E452 L453 G458 L459 L460	L413-V456 HydrophobicContact CD2-CG1 4.14Å; N416-V456 HydrophobicContact CB-CG2 4.36Å; E452-V456 PolarHBondContact O-N 3.19Å; L453-V456 PolarHBondContact O-N 2.74Å; L453-V456 VanDerWaalsContact O-N 3.08Å; V456-G458 PolarHBondContact O-N 3.35Å; V456-L459 HydrophobicContact CG1-CB 4.43Å; V456-L459 HydrophobicContact CG1-CD1 4.47Å; V456-L459 WeakPolarHBondContact O-CB 3.31Å; V456-L459 PolarHBondContact O-N 2.77Å; V456-L460 HydrophobicContact CG1-CD2 4.44Å
457	R	78.7	Confident	83	Confident	199 Å²	199	95.2 Å²	95.2	75%	0.751	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-53.9	-34	-174.5	-162	178.3	-171.3	-173	3	114.4	L453 K454 N455 L459 L460	L453-R457 PolarHBondContact O-N 2.84Å; K454-R457 VanDerWaalsContact O-CB 3.3Å; K454-R457 WeakPolarHBondContact O-CB 3.3Å; K454-R457 PolarHBondContact O-N 3.48Å; N455-R457 VanDerWaalsContact C-N 3.33Å; R457-L459 VanDerWaalsContact C-N 3.28Å; R457-L459 PolarHBondContact O-N 3.13Å; R457-L460 HydrophobicContact CG-CD1 4.4Å; R457-L460 PolarHBondContact O-N 2.85Å
458	G	75.8	Confident	83.2	Confident	62 Å²	62	95 Å²	95	64%	0.639	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-77.7	-2.1	176.1	0	0	0	0	0	115.8	V456	V456-G458 PolarHBondContact O-N 3.35Å
459	L	80.5	Confident	83.5	Confident	20 Å²	20	98.9 Å²	98.9	11%	0.105	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-103.3	-4.9	173.3	-67.1	163.2	0	0	0	112.3	Q409 K412 L413 V456 R457 Q461	Q409-L459 HydrophobicContact CG-CD2 4.32Å; Q409-L459 PolarHBondContact NE2-O 2.94Å; K412-L459 HydrophobicContact CD-CD1 3.91Å; K412-L459 HydrophobicContact CG-CD1 4.29Å; L413-L459 HydrophobicContact CD2-CB 3.94Å; V456-L459 HydrophobicContact CG1-CB 4.43Å; V456-L459 HydrophobicContact CG1-CD1 4.47Å; V456-L459 WeakPolarHBondContact O-CB 3.31Å; V456-L459 PolarHBondContact O-N 2.77Å; R457-L459 VanDerWaalsContact C-N 3.28Å; R457-L459 PolarHBondContact O-N 3.13Å; L459-Q461 VanDerWaalsContact C-N 3.28Å; L459-Q461 PolarHBondContact O-N 3.26Å
460	L	81.4	Confident	83.8	Confident	116 Å²	116	103.6 Å²	103.6	61%	0.607	52%	0.516	S	S	*	.	S	Bend	trans	-78.5	-8.4	-175.6	-60.6	178.6	0	0	0	114.1	L413 V456 R457	L413-L460 HydrophobicContact CD2-CD2 4.09Å; V456-L460 HydrophobicContact CG1-CD2 4.44Å; R457-L460 HydrophobicContact CG-CD1 4.4Å; R457-L460 PolarHBondContact O-N 2.85Å
461	Q	83.6	Confident	84.1	Confident	157 Å²	157	106.1 Å²	106.1	73%	0.734	53%	0.532	S	S	*	.	S	Bend	trans	-115.1	143.6	170.1	-66.6	-179.5	-6	0	0	108.9	Q409 L459 Q463	Q409-Q461 PolarHBondContact NE2-O 3.35Å; L459-Q461 VanDerWaalsContact C-N 3.28Å; L459-Q461 PolarHBondContact O-N 3.26Å; Q461-Q463 PolarHBondContact O-N 2.85Å
462	P	85.1	Confident	84.3	Confident	102 Å²	102	104.6 Å²	104.6	66%	0.662	53%	0.532	S	S	*	.			trans	-52.7	133.9	175.9	-25.9	35	0	0	0	112.1	L406	L406-P462 HydrophobicContact CD2-CB 4.04Å
463	Q	83.5	Confident	84.4	Confident	113 Å²	113	105.7 Å²	105.7	53%	0.528	54%	0.544	S	S	.	.	S	Bend	trans	-85.6	-9	-178.7	-70	-173.6	-32.5	0	0	113.9	Q461	Q461-Q463 PolarHBondContact O-N 2.85Å
464	E	87.1	Confident	84.6	Confident	62 Å²	62	107.7 Å²	107.7	29%	0.29	56%	0.556	S	S	.	*	S	Bend	trans	-123.4	147.7	173.8	-58.6	-73.2	169.7	0	0	109.6	K402 S405 L406	K402-E464 HydrophobicContact CB-CB 4.49Å; K402-E464 HydrophobicContact CB-CG 4.38Å; K402-E464 HydrophobicContact CG-CB 4.35Å; K402-E464 HydrophobicContact CG-CG 4.3Å; S405-E464 VanDerWaalsContact CB-OE1 3.32Å; S405-E464 WeakPolarHBondContact CB-OE1 3.39Å; S405-E464 PolarHBondContact OG-OE1 2.66Å; L406-E464 HydrophobicContact CD1-CB 4.27Å; L406-E464 HydrophobicContact CD2-CB 4.07Å; L406-E464 HydrophobicContact CD2-CG 4.45Å; L406-E464 HydrophobicContact CG-CB 4.04Å; L406-E464 HydrophobicContact CG-CG 4.21Å
465	D	84.9	Confident	85.1	Confident	87 Å²	87	106.7 Å²	106.7	47%	0.465	55%	0.553	S	S	.	*			trans	-87.8	162.8	166.2	68.2	1.2	0	0	0	111.9	K402 R467	K402-D465 WeakPolarHBondContact CD-O 3.43Å; K402-D465 WeakPolarHBondContact CE-O 3.39Å; K402-D465 PolarHBondContact NZ-O 3.05Å; K402-D465 IonicContact NZ-OD1 2.72Å; K402-D465 PolarHBondContact NZ-OD1 3.42Å; D465-R467 PolarHBondContact O-N 3.4Å; D465-R467 WeakPolarHBondContact OD2-CB 3.34Å
466	D	85.3	Confident	85.4	Confident	154 Å²	154	103.3 Å²	103.3	82%	0.824	54%	0.544	S	S	*	.			trans	-74.7	-14	175.8	65.4	-24.8	0	0	0	112.9	I468	D466-I468 PolarHBondContact O-N 2.78Å
467	R	87.9	Confident	85.6	Confident	161 Å²	161	106.4 Å²	106.4	61%	0.608	56%	0.56	S	S	*	*			trans	-61.8	120.2	-168.4	-164	174.9	-175.4	-171.3	1.7	113.2	K402 D465 M469	K402-R467 PolarHBondContact NZ-O 3.5Å; D465-R467 PolarHBondContact O-N 3.4Å; D465-R467 WeakPolarHBondContact OD2-CB 3.34Å; R467-M469 HydrophobicContact CG-CG 4.04Å; R467-M469 HydrophobicContact CG-SD 4.32Å
468	I	91.4	Very high	85.8	Confident	73 Å²	73	103.1 Å²	103.1	37%	0.374	55%	0.548	S	S	.	.			trans	-132.8	122.1	166.4	-58.4	-179.9	0	0	0	106.6	V395 I398 R399 D466	V395-I468 HydrophobicContact CG1-CG2 4.31Å; V395-I468 HydrophobicContact CG2-CG2 4.49Å; I398-I468 HydrophobicContact CG2-CD1 4.23Å; I398-I468 HydrophobicContact CG2-CG1 4.18Å; R399-I468 HydrophobicContact CB-CD1 4.39Å; D466-I468 PolarHBondContact O-N 2.78Å
469	M	91.5	Very high	86.1	Confident	133 Å²	133	104.9 Å²	104.9	66%	0.655	54%	0.541	S	S	*	.			trans	-117.8	134.2	-176.5	-63.3	-63.6	-55	0	0	110.6	R467	R467-M469 HydrophobicContact CG-CG 4.04Å; R467-M469 HydrophobicContact CG-SD 4.32Å
470	F	93	Very high	86.4	Confident	134 Å²	134	106.6 Å²	106.6	59%	0.588	56%	0.558	S	S	*	*			trans	-102	131.6	160.2	174	-115.6	0	0	0	109	L391 P472	L391-F470 HydrophobicContact CD1-CE2 4.19Å; F470-P472 HydrophobicContact CE1-CB 3.97Å; F470-P472 HydrophobicContact CZ-CB 4.41Å
471	T	89.9	Confident	86.6	Confident	118 Å²	118	104.5 Å²	104.5	72%	0.724	55%	0.546	S	S	*	.			trans	-106.9	115.3	170.4	-53.8	0	0	0	0	107.5
472	P	86.9	Confident	86.6	Confident	85 Å²	85	104.3 Å²	104.3	55%	0.552	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-66.8	158	177.2	29	-34.8	0	0	0	111.3	F470	F470-P472 HydrophobicContact CE1-CB 3.97Å; F470-P472 HydrophobicContact CZ-CB 4.41Å
473	P	84.6	Confident	86.5	Confident	87 Å²	87	103.9 Å²	103.9	57%	0.565	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64.3	168.4	167.5	31.1	-36	0	0	0	111.1	L477	P473-L477 HydrophobicContact CB-CB 4.39Å; P473-L477 HydrophobicContact CB-CD2 3.63Å; P473-L477 HydrophobicContact CG-CD2 4.02Å
474	D	86.6	Confident	86.4	Confident	108 Å²	108	102.8 Å²	102.8	58%	0.578	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-71	165.8	179.6	65.4	19.2	0	0	0	113.5	A476 L477	D474-A476 PolarHBondContact O-N 3.47Å; D474-A476 WeakPolarHBondContact OD1-CB 3.44Å; D474-A476 PolarHBondContact OD1-N 3.46Å; D474-L477 PolarHBondContact O-N 3.22Å; D474-L477 PolarHBondContact OD1-N 3.26Å
475	Q	88.4	Confident	85.8	Confident	123 Å²	123	103 Å²	103	58%	0.575	56%	0.557	S	S	*	*	H	α-helix	trans	-66.2	-21.5	176.3	-168.3	60	43.8	0	0	112.1	Y478 M479	Q475-Y478 PolarHBondContact O-N 3.08Å; Q475-M479 WeakPolarHBondContact O-CG 3.13Å; Q475-M479 PolarHBondContact O-N 2.99Å; Q475-M479 VanDerWaalsContact O-N 3.09Å
476	A	85.2	Confident	85.5	Confident	63 Å²	63	105.6 Å²	105.6	52%	0.521	56%	0.564	S	S	.	*	H	α-helix	trans	-67.5	-42.2	178.1	0	0	0	0	0	111.2	D474 Y478 M479 A480	D474-A476 PolarHBondContact O-N 3.47Å; D474-A476 WeakPolarHBondContact OD1-CB 3.44Å; D474-A476 PolarHBondContact OD1-N 3.46Å; A476-Y478 VanDerWaalsContact C-N 3.35Å; A476-Y478 PolarHBondContact O-N 3.43Å; A476-M479 PolarHBondContact O-N 2.87Å; A476-A480 WeakPolarHBondContact O-CB 3.4Å; A476-A480 PolarHBondContact O-N 2.85Å
477	L	85.9	Confident	85.2	Confident	78 Å²	78	103.8 Å²	103.8	41%	0.408	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-41.3	174.4	-176.6	63.1	0	0	0	112	P473 D474 M479 A480 I481	P473-L477 HydrophobicContact CB-CB 4.39Å; P473-L477 HydrophobicContact CB-CD2 3.63Å; P473-L477 HydrophobicContact CG-CD2 4.02Å; D474-L477 PolarHBondContact O-N 3.22Å; D474-L477 PolarHBondContact OD1-N 3.26Å; L477-M479 PolarHBondContact O-N 3.22Å; L477-A480 PolarHBondContact O-N 2.91Å; L477-I481 HydrophobicContact CD1-CD1 4.13Å; L477-I481 HydrophobicContact CD1-CG1 4.36Å; L477-I481 HydrophobicContact CG-CD1 3.98Å; L477-I481 VanDerWaalsContact O-CG1 3.32Å; L477-I481 WeakPolarHBondContact O-CG1 3.44Å; L477-I481 PolarHBondContact O-N 2.81Å
478	Y	83.3	Confident	84.5	Confident	130 Å²	130	98.6 Å²	98.6	51%	0.51	55%	0.547	S	S	.	.	H	α-helix	trans	-60.1	-46.2	174.8	172.8	-87.9	0	0	0	111.5	Q475 A476 I481 K482	Q475-Y478 PolarHBondContact O-N 3.08Å; A476-Y478 VanDerWaalsContact C-N 3.35Å; A476-Y478 PolarHBondContact O-N 3.43Å; Y478-I481 PolarHBondContact O-N 3.46Å; Y478-K482 HydrophobicContact CE1-CB 4.5Å; Y478-K482 HydrophobicContact CE1-CD 3.93Å; Y478-K482 WeakPolarHBondContact O-CB 3.43Å; Y478-K482 PolarHBondContact O-N 2.89Å
479	M	83	Confident	84	Confident	99 Å²	99	97.4 Å²	97.4	49%	0.488	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-42.4	178.4	-65.2	-55.5	-169.3	0	0	111.6	Q475 A476 L477 I481 K482 S483	Q475-M479 WeakPolarHBondContact O-CG 3.13Å; Q475-M479 PolarHBondContact O-N 2.99Å; Q475-M479 VanDerWaalsContact O-N 3.09Å; A476-M479 PolarHBondContact O-N 2.87Å; L477-M479 PolarHBondContact O-N 3.22Å; M479-I481 VanDerWaalsContact C-N 3.31Å; M479-I481 PolarHBondContact O-N 3.14Å; M479-K482 PolarHBondContact O-N 3.03Å; M479-K482 VanDerWaalsContact O-N 3.09Å; M479-S483 PolarHBondContact O-N 3.1Å; M479-S483 PolarHBondContact O-OG 3.44Å; M479-S483 VanDerWaalsContact O-OG 3.14Å
480	A	85.6	Confident	83.5	Confident	55 Å²	55	93.1 Å²	93.1	46%	0.455	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-33.8	177.7	0	0	0	0	0	113.2	A476 L477 M484	A476-A480 WeakPolarHBondContact O-CB 3.4Å; A476-A480 PolarHBondContact O-N 2.85Å; L477-A480 PolarHBondContact O-N 2.91Å; A480-M484 WeakPolarHBondContact O-CB 3.48Å; A480-M484 PolarHBondContact O-N 3.12Å
481	I	86.5	Confident	83	Confident	72 Å²	72	87.7 Å²	87.7	37%	0.369	52%	0.515	S	S	.	.	H	α-helix	trans	-72.1	-41.4	171.5	-67.5	167.6	0	0	0	110.7	L384 L477 Y478 M479 S483 M484	L384-I481 HydrophobicContact CD1-CD1 4.42Å; L384-I481 HydrophobicContact CD2-CD1 4.45Å; L477-I481 HydrophobicContact CD1-CD1 4.13Å; L477-I481 HydrophobicContact CD1-CG1 4.36Å; L477-I481 HydrophobicContact CG-CD1 3.98Å; L477-I481 VanDerWaalsContact O-CG1 3.32Å; L477-I481 WeakPolarHBondContact O-CG1 3.44Å; L477-I481 PolarHBondContact O-N 2.81Å; Y478-I481 PolarHBondContact O-N 3.46Å; M479-I481 VanDerWaalsContact C-N 3.31Å; M479-I481 PolarHBondContact O-N 3.14Å; I481-S483 PolarHBondContact O-N 2.9Å; I481-M484 HydrophobicContact CG1-CE 4.33Å; I481-M484 VanDerWaalsContact O-CB 3.31Å; I481-M484 WeakPolarHBondContact O-CB 3.42Å; I481-M484 PolarHBondContact O-N 2.94Å
482	K	83	Confident	82.9	Confident	153 Å²	153	86.5 Å²	86.5	67%	0.665	50%	0.5	S	S	*	.	H	α-helix	trans	-66.4	-33.5	-179.9	-174.6	179.5	176.7	-176.4	0	113.2	Y478 M479	Y478-K482 HydrophobicContact CE1-CB 4.5Å; Y478-K482 HydrophobicContact CE1-CD 3.93Å; Y478-K482 WeakPolarHBondContact O-CB 3.43Å; Y478-K482 PolarHBondContact O-N 2.89Å; M479-K482 PolarHBondContact O-N 3.03Å; M479-K482 VanDerWaalsContact O-N 3.09Å
483	S	82.9	Confident	82.8	Confident	93 Å²	93	82.7 Å²	82.7	65%	0.65	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	29.6	176	71.6	0	0	0	0	112.7	M479 I481 G485	M479-S483 PolarHBondContact O-N 3.1Å; M479-S483 PolarHBondContact O-OG 3.44Å; M479-S483 VanDerWaalsContact O-OG 3.14Å; I481-S483 PolarHBondContact O-N 2.9Å; S483-G485 PolarHBondContact O-N 2.97Å; S483-G485 VanDerWaalsContact O-N 3.13Å
484	M	80.7	Confident	82.9	Confident	91 Å²	91	81.5 Å²	81.5	45%	0.448	47%	0.468	S	S	.	.			trans	-75.5	103.8	-175.9	-173.9	179.9	-68.8	0	0	111.7	H380 A480 I481	H380-M484 HydrophobicContact CB-SD 4.32Å; A480-M484 WeakPolarHBondContact O-CB 3.48Å; A480-M484 PolarHBondContact O-N 3.12Å; I481-M484 HydrophobicContact CG1-CE 4.33Å; I481-M484 VanDerWaalsContact O-CB 3.31Å; I481-M484 WeakPolarHBondContact O-CB 3.42Å; I481-M484 PolarHBondContact O-N 2.94Å
485	G	75.6	Confident	83	Confident	66 Å²	66	79 Å²	79	68%	0.68	45%	0.454	S	S	*	.			trans	86.8	161.7	175.3	0	0	0	0	0	113.6	S483	S483-G485 PolarHBondContact O-N 2.97Å; S483-G485 VanDerWaalsContact O-N 3.13Å
486	F	77.8	Confident	83.2	Confident	141 Å²	141	73.1 Å²	73.1	62%	0.618	43%	0.427	S	S	*	.			trans	-142.8	158.5	176.1	61.4	-87.3	0	0	0	109
487	V	79.6	Confident	83.6	Confident	117 Å²	117	73.7 Å²	73.7	71%	0.709	42%	0.418	S	S	*	.			trans	-114	130.5	170.1	179.9	0	0	0	0	106.7
488	S	73.7	Confident	84	Confident	51 Å²	51	70.7 Å²	70.7	36%	0.357	41%	0.405	S	S	.	.			trans	-129.3	129.3	176.4	62.1	0	0	0	0	109.8	R526 S528	S488-R526 PolarHBondContact OG-NH1 3.31Å; S488-S528 PolarHBondContact OG-OG 2.91Å
489	S	79.9	Confident	84.3	Confident	48 Å²	48	68.2 Å²	68.2	34%	0.336	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-65.8	161	160.1	29.3	0	0	0	0	110.5	D520 R526	S489-D520 WeakPolarHBondContact OG-CB 3.26Å; S489-R526 WeakPolarHBondContact O-CD 3.42Å; S489-R526 PolarHBondContact O-NE 2.43Å; S489-R526 PolarHBondContact O-NH1 3.45Å
490	G	80.7	Confident	84.5	Confident	44 Å²	44	65 Å²	65	45%	0.454	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-71.1	165.7	167	0	0	0	0	0	111.1	D531	G490-D531 WeakPolarHBondContact CA-OD1 3.39Å
491	A	82.7	Confident	84.1	Confident	19 Å²	19	68.7 Å²	68.7	16%	0.157	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-67	152.3	-179.2	0	0	0	0	0	112.1	Y519 R526 D531 M575	A491-Y519 CarbonylContact C-O 3.45Å; A491-Y519 VanDerWaalsContact CA-O 3.28Å; A491-Y519 WeakPolarHBondContact CA-O 3.48Å; A491-R526 HydrophobicContact CB-CG 3.97Å; A491-D531 HydrophobicContact CB-CB 4.14Å; A491-D531 PolarHBondContact N-OD1 3.4Å; A491-M575 HydrophobicContact CB-CE 3.51Å; A491-M575 HydrophobicContact CB-SD 3.62Å; A491-M575 WeakPolarHBondContact O-CE 3.45Å
492	F	87.7	Confident	84	Confident	93 Å²	93	65.4 Å²	65.4	41%	0.408	39%	0.387	S	S	.	.			trans	-116.5	115	-179.1	179.6	-123.7	0	0	0	110.2	P494 L495 T496 Y519	F492-P494 HydrophobicContact CD1-CB 4.5Å; F492-P494 HydrophobicContact CD1-CG 4.48Å; F492-P494 HydrophobicContact CE1-CB 3.95Å; F492-P494 HydrophobicContact CE1-CG 3.89Å; F492-P494 HydrophobicContact CE2-CG 4.04Å; F492-P494 HydrophobicContact CZ-CB 4.19Å; F492-P494 HydrophobicContact CZ-CG 3.64Å; F492-L495 HydrophobicContact CD1-CB 4.24Å; F492-L495 HydrophobicContact CD1-CD1 3.93Å; F492-L495 HydrophobicContact CD1-CG 3.81Å; F492-L495 HydrophobicContact CE1-CD1 4.38Å; F492-L495 HydrophobicContact CE1-CG 4.18Å; F492-L495 PolarHBondContact O-N 2.81Å; F492-T496 PolarHBondContact O-N 2.83Å; F492-T496 PolarHBondContact O-OG1 2.71Å; F492-Y519 PolarHBondContact N-O 2.91Å
493	A	86.1	Confident	84.2	Confident	6 Å²	6	58.9 Å²	58.9	5%	0.05	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-43	-167.3	0	0	0	0	0	114.7	L495 T496 M575 Q578 I580 E581	A493-L495 PolarHBondContact O-N 3.13Å; A493-T496 PolarHBondContact O-N 2.86Å; A493-M575 HydrophobicContact CB-CB 4.3Å; A493-M575 HydrophobicContact CB-CE 3.99Å; A493-M575 VanDerWaalsContact N-CE 3.29Å; A493-Q578 HydrophobicContact CB-CB 4.11Å; A493-I580 HydrophobicContact CB-CG2 4.42Å; A493-I580 VanDerWaalsContact O-CA 3.3Å; A493-I580 WeakPolarHBondContact O-CA 3.49Å; A493-E581 PolarHBondContact O-N 2.9Å
494	P	87.1	Confident	84.1	Confident	61 Å²	61	62 Å²	62	40%	0.396	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.3	179.7	-24.4	36.7	0	0	0	116	F492	F492-P494 HydrophobicContact CD1-CB 4.5Å; F492-P494 HydrophobicContact CD1-CG 4.48Å; F492-P494 HydrophobicContact CE1-CB 3.95Å; F492-P494 HydrophobicContact CE1-CG 3.89Å; F492-P494 HydrophobicContact CE2-CG 4.04Å; F492-P494 HydrophobicContact CZ-CB 4.19Å; F492-P494 HydrophobicContact CZ-CG 3.64Å
495	L	88.8	Confident	84	Confident	55 Å²	55	65.6 Å²	65.6	29%	0.288	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-17.8	176.2	-62.1	-179	0	0	0	113.1	F492 A493 K497 Y519	F492-L495 HydrophobicContact CD1-CB 4.24Å; F492-L495 HydrophobicContact CD1-CD1 3.93Å; F492-L495 HydrophobicContact CD1-CG 3.81Å; F492-L495 HydrophobicContact CE1-CD1 4.38Å; F492-L495 HydrophobicContact CE1-CG 4.18Å; F492-L495 PolarHBondContact O-N 2.81Å; A493-L495 PolarHBondContact O-N 3.13Å; L495-K497 PolarHBondContact O-N 3.17Å; L495-Y519 VanDerWaalsContact O-CD2 3.24Å; L495-Y519 WeakPolarHBondContact O-CD2 3.18Å
496	T	92.5	Very high	84.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.34	C	S	.	.			trans	-60.7	129.5	170.7	-70.2	0	0	0	0	110.7	F492 A493 V516 I580 E581	F492-T496 PolarHBondContact O-N 2.83Å; F492-T496 PolarHBondContact O-OG1 2.71Å; A493-T496 PolarHBondContact O-N 2.86Å; T496-V516 HydrophobicContact CG2-CG1 3.47Å; T496-V516 VanDerWaalsContact CG2-CG1 3.47Å; T496-I580 HydrophobicContact CG2-CB 4.19Å; T496-I580 HydrophobicContact CG2-CD1 4.31Å; T496-I580 HydrophobicContact CG2-CG2 3.78Å; T496-E581 WeakPolarHBondContact O-CB 2.78Å; T496-E581 PolarHBondContact O-N 3.04Å
497	K	93.1	Very high	84.9	Confident	75 Å²	75	57.5 Å²	57.5	33%	0.326	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.8	-171.4	-75.2	151.2	-173.5	156.9	0	111.5	L495 V516 I517 Y519 E581	L495-K497 PolarHBondContact O-N 3.17Å; K497-V516 CarbonylContact O-C 3.51Å; K497-V516 WeakPolarHBondContact O-CA 3.1Å; K497-I517 PolarHBondContact N-O 3.36Å; K497-I517 VanDerWaalsContact N-O 3.1Å; K497-I517 PolarHBondContact O-N 2.83Å; K497-Y519 HydrophobicContact CB-CE2 4.2Å; K497-Y519 HydrophobicContact CD-CD2 4.21Å; K497-Y519 HydrophobicContact CD-CE2 3.81Å; K497-Y519 HydrophobicContact CG-CE2 4.46Å; K497-E581 WeakPolarHBondContact CE-OE2 3.27Å; K497-E581 HydrophobicContact CG-CB 4.37Å; K497-E581 VanDerWaalsContact CG-OE2 3.32Å; K497-E581 WeakPolarHBondContact CG-OE2 3.35Å; K497-E581 IonicContact NZ-OE2 3.18Å
498	A	93.9	Very high	85.3	Confident	16 Å²	16	55.3 Å²	55.3	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	172.7	0	0	0	0	0	111.2	L503 F514 T515 V516 I580 F585	A498-L503 HydrophobicContact CB-CD1 3.52Å; A498-L503 HydrophobicContact CB-CD2 4.4Å; A498-L503 WeakPolarHBondContact O-CD1 3.29Å; A498-F514 HydrophobicContact CB-CD2 4.07Å; A498-F514 HydrophobicContact CB-CE2 4.17Å; A498-T515 CarbonylContact C-O 3.58Å; A498-T515 WeakPolarHBondContact CA-O 3.32Å; A498-V516 HydrophobicContact CB-CG2 4.07Å; A498-I580 HydrophobicContact CB-CD1 3.85Å; A498-F585 HydrophobicContact CB-CE2 4.1Å; A498-F585 HydrophobicContact CB-CZ 3.84Å
499	T	90.4	Very high	85.7	Confident	78 Å²	78	54.3 Å²	54.3	48%	0.479	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.8	-179.7	61.9	0	0	0	0	111.4	T515	T499-T515 PolarHBondContact N-O 2.76Å; T499-T515 PolarHBondContact O-N 3.06Å
500	G	85.8	Confident	85.9	Confident	32 Å²	32	56.5 Å²	56.5	33%	0.33	30%	0.301	S	S	.	.	S	Bend	trans	153.7	173.1	179.4	0	0	0	0	0	112.6
501	E	78.4	Confident	86.2	Confident	132 Å²	132	58.2 Å²	58.2	62%	0.617	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-73	-34.6	177.6	-65.2	-142.5	119.5	0	0	112.4	L503 K504 R505	E501-L503 PolarHBondContact O-N 2.82Å; E501-K504 PolarHBondContact O-N 2.85Å; E501-R505 PolarHBondContact O-N 2.9Å; E501-R505 VanDerWaalsContact O-O 3.05Å
502	G	83.9	Confident	86.5	Confident	2 Å²	2	57.9 Å²	57.9	2%	0.021	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.9	2.6	176.8	0	0	0	0	0	115.8	S513 Y561	G502-S513 WeakPolarHBondContact CA-O 3.21Å; G502-S513 PolarHBondContact N-O 2.88Å; G502-Y561 WeakPolarHBondContact O-CE1 3.43Å; G502-Y561 PolarHBondContact O-OH 3.3Å
503	L	87	Confident	86.7	Confident	17 Å²	17	56 Å²	56	9%	0.089	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-101.8	-2.7	168.8	-62.7	170.6	0	0	0	112.9	A498 E501 F514 F585	A498-L503 HydrophobicContact CB-CD1 3.52Å; A498-L503 HydrophobicContact CB-CD2 4.4Å; A498-L503 WeakPolarHBondContact O-CD1 3.29Å; E501-L503 PolarHBondContact O-N 2.82Å; L503-F514 HydrophobicContact CD1-CB 4Å; L503-F514 HydrophobicContact CD1-CD2 3.96Å; L503-F514 HydrophobicContact CD1-CG 4Å; L503-F514 HydrophobicContact CD2-CB 4.41Å; L503-F514 HydrophobicContact CD2-CD1 3.65Å; L503-F514 HydrophobicContact CD2-CD2 3.72Å; L503-F514 HydrophobicContact CD2-CE1 3.69Å; L503-F514 HydrophobicContact CD2-CE2 3.76Å; L503-F514 HydrophobicContact CD2-CG 3.66Å; L503-F514 HydrophobicContact CD2-CZ 3.73Å; L503-F514 HydrophobicContact CG-CB 3.74Å; L503-F514 HydrophobicContact CG-CD1 3.83Å; L503-F514 HydrophobicContact CG-CD2 3.89Å; L503-F514 HydrophobicContact CG-CE1 4.39Å; L503-F514 HydrophobicContact CG-CE2 4.43Å; L503-F514 HydrophobicContact CG-CG 3.54Å; L503-F585 HydrophobicContact CD2-CB 4.15Å; L503-F585 HydrophobicContact CD2-CD1 4.19Å; L503-F585 HydrophobicContact CD2-CD2 3.71Å; L503-F585 HydrophobicContact CD2-CE2 4.14Å; L503-F585 HydrophobicContact CD2-CG 3.76Å
504	K	81.4	Confident	87.1	Confident	158 Å²	158	56 Å²	56	69%	0.687	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-40.5	-173.1	-60.2	178.2	-176.9	175.1	0	111.8	E501	E501-K504 PolarHBondContact O-N 2.85Å
505	R	77.6	Confident	87.4	Confident	166 Å²	166	55 Å²	55	63%	0.626	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.9	-178.4	-62.2	-178.9	-177	167.3	0.8	110.1	E501	E501-R505 PolarHBondContact O-N 2.9Å; E501-R505 VanDerWaalsContact O-O 3.05Å
506	A	85.9	Confident	87.7	Confident	8 Å²	8	52.4 Å²	52.4	7%	0.066	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.8	165.5	0	0	0	0	0	109.9	A512 Y561 P563 V587 V588 V589 K590	A506-A512 HydrophobicContact CB-CB 3.5Å; A506-Y561 HydrophobicContact CB-CE2 4.35Å; A506-P563 HydrophobicContact CB-CG 4.07Å; A506-V587 HydrophobicContact CB-CG1 4.31Å; A506-V588 PolarHBondContact N-O 2.8Å; A506-V589 HydrophobicContact CB-CG2 4.17Å; A506-V589 WeakPolarHBondContact O-CA 3.26Å; A506-K590 PolarHBondContact O-N 2.77Å; A506-K590 VanDerWaalsContact O-N 3.17Å
507	L	85.6	Confident	87.7	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.157	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.1	179.2	-65.8	175.7	0	0	0	110.6	G509 K510 K590 E814	L507-G509 PolarHBondContact O-N 2.75Å; L507-K510 HydrophobicContact CB-CB 4.08Å; L507-K510 HydrophobicContact CB-CG 3.85Å; L507-K510 WeakPolarHBondContact O-CB 3.29Å; L507-K510 PolarHBondContact O-N 3.02Å; L507-K510 VanDerWaalsContact O-N 3.09Å; L507-K590 CarbonylContact C-O 3.5Å; L507-K590 VanDerWaalsContact CA-O 3.32Å; L507-K590 WeakPolarHBondContact CA-O 3.49Å; L507-K590 HydrophobicContact CD2-CB 4.09Å; L507-E814 HydrophobicContact CD1-CG 3.33Å
508	Q	88.7	Confident	87.6	Confident	71 Å²	71	50.8 Å²	50.8	33%	0.332	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131.5	-178.3	-165.4	-167.5	20.5	0	0	111	K510 Q564 E566 V589 K590	Q508-K510 PolarHBondContact O-N 2.9Å; Q508-K510 VanDerWaalsContact O-N 3.08Å; Q508-Q564 WeakPolarHBondContact CG-O 3.32Å; Q508-Q564 PolarHBondContact NE2-O 3.04Å; Q508-E566 HydrophobicContact CB-CG 4.18Å; Q508-E566 HydrophobicContact CG-CG 4.31Å; Q508-V589 HydrophobicContact CB-CG1 4.31Å; Q508-K590 PolarHBondContact N-O 2.89Å
509	G	83.1	Confident	87.3	Confident	29 Å²	29	52.4 Å²	52.4	30%	0.299	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	-6.9	-179.9	0	0	0	0	0	115.5	L507 R562 P563	L507-G509 PolarHBondContact O-N 2.75Å; G509-R562 WeakPolarHBondContact O-CD 3.34Å; G509-R562 WeakPolarHBondContact O-CG 3.39Å; G509-R562 PolarHBondContact O-NH1 2.96Å; G509-P563 PolarHBondContact N-O 3.33Å
510	K	83.1	Confident	87.2	Confident	94 Å²	94	49.8 Å²	49.8	41%	0.409	26%	0.257	S	S	.	.	S	Bend	trans	-93.5	155.4	176.1	-57.2	-71.3	-175.9	141.4	0	110.7	L507 Q508 R562 E814	L507-K510 HydrophobicContact CB-CB 4.08Å; L507-K510 HydrophobicContact CB-CG 3.85Å; L507-K510 WeakPolarHBondContact O-CB 3.29Å; L507-K510 PolarHBondContact O-N 3.02Å; L507-K510 VanDerWaalsContact O-N 3.09Å; Q508-K510 PolarHBondContact O-N 2.9Å; Q508-K510 VanDerWaalsContact O-N 3.08Å; K510-R562 WeakPolarHBondContact O-CA 3.42Å; K510-R562 WeakPolarHBondContact O-CG 3.29Å; K510-E814 WeakPolarHBondContact CE-OE2 3.05Å; K510-E814 IonicContact NZ-OE2 3.78Å; K510-E814 PolarHBondContact NZ-OE2 3.13Å
511	V	87.2	Confident	87.2	Confident	81 Å²	81	54 Å²	54	49%	0.491	27%	0.268	S	S	.	.			trans	-78	125.8	171.4	179.5	0	0	0	0	108.3	Y561	V511-Y561 CarbonylContact C-O 3.56Å; V511-Y561 WeakPolarHBondContact CA-O 3.31Å
512	A	89.5	Confident	87.4	Confident	11 Å²	11	53.8 Å²	53.8	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.4	166.7	0	0	0	0	0	109.1	A506 S560 Y561	A506-A512 HydrophobicContact CB-CB 3.5Å; A512-S560 WeakPolarHBondContact O-CA 3.46Å; A512-Y561 HydrophobicContact CB-CD1 4.45Å; A512-Y561 HydrophobicContact CB-CE1 3.9Å; A512-Y561 HydrophobicContact CB-CE2 4.29Å; A512-Y561 PolarHBondContact N-O 3.18Å; A512-Y561 PolarHBondContact O-N 2.87Å
513	S	91.4	Very high	87.3	Confident	55 Å²	55	55.2 Å²	55.2	39%	0.385	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	160.6	-178.5	59.8	0	0	0	0	113.3	G502 V559	G502-S513 WeakPolarHBondContact CA-O 3.21Å; G502-S513 PolarHBondContact N-O 2.88Å; S513-V559 CarbonylContact C-O 3.59Å; S513-V559 WeakPolarHBondContact CA-O 3.45Å; S513-V559 VanDerWaalsContact CB-O 3.23Å; S513-V559 WeakPolarHBondContact CB-O 3.36Å
514	F	93.6	Very high	87.3	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	163	176.2	59.8	-92.8	0	0	0	110.1	A498 L503 V516 V559 Y561 V571 V573	A498-F514 HydrophobicContact CB-CD2 4.07Å; A498-F514 HydrophobicContact CB-CE2 4.17Å; L503-F514 HydrophobicContact CD1-CB 4Å; L503-F514 HydrophobicContact CD1-CD2 3.96Å; L503-F514 HydrophobicContact CD1-CG 4Å; L503-F514 HydrophobicContact CD2-CB 4.41Å; L503-F514 HydrophobicContact CD2-CD1 3.65Å; L503-F514 HydrophobicContact CD2-CD2 3.72Å; L503-F514 HydrophobicContact CD2-CE1 3.69Å; L503-F514 HydrophobicContact CD2-CE2 3.76Å; L503-F514 HydrophobicContact CD2-CG 3.66Å; L503-F514 HydrophobicContact CD2-CZ 3.73Å; L503-F514 HydrophobicContact CG-CB 3.74Å; L503-F514 HydrophobicContact CG-CD1 3.83Å; L503-F514 HydrophobicContact CG-CD2 3.89Å; L503-F514 HydrophobicContact CG-CE1 4.39Å; L503-F514 HydrophobicContact CG-CE2 4.43Å; L503-F514 HydrophobicContact CG-CG 3.54Å; F514-V516 HydrophobicContact CD2-CG2 4.21Å; F514-V516 HydrophobicContact CE2-CG2 3.83Å; F514-V559 HydrophobicContact CD1-CB 4.42Å; F514-V559 HydrophobicContact CD2-CB 4.04Å; F514-V559 HydrophobicContact CD2-CG2 4.36Å; F514-V559 HydrophobicContact CE1-CB 4Å; F514-V559 HydrophobicContact CE1-CG1 3.81Å; F514-V559 HydrophobicContact CE2-CB 3.57Å; F514-V559 HydrophobicContact CE2-CG1 3.99Å; F514-V559 HydrophobicContact CE2-CG2 3.73Å; F514-V559 HydrophobicContact CG-CB 4.45Å; F514-V559 HydrophobicContact CZ-CB 3.56Å; F514-V559 HydrophobicContact CZ-CG1 3.44Å; F514-V559 VanDerWaalsContact CZ-CG1 3.44Å; F514-V559 HydrophobicContact CZ-CG2 4.07Å; F514-V559 PolarHBondContact N-O 2.86Å; F514-V559 PolarHBondContact O-N 3.02Å; F514-Y561 HydrophobicContact CD1-CE1 4.32Å; F514-Y561 HydrophobicContact CE1-CD1 4.29Å; F514-Y561 HydrophobicContact CE1-CE1 4.06Å; F514-V571 HydrophobicContact CE1-CG1 3.86Å; F514-V571 HydrophobicContact CZ-CG1 3.81Å; F514-V573 HydrophobicContact CE2-CG2 3.69Å; F514-V573 HydrophobicContact CZ-CG2 3.57Å
515	T	93.7	Very high	87.5	Confident	41 Å²	41	55.6 Å²	55.6	25%	0.252	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129.2	-179.9	-55.7	0	0	0	0	110	A498 T499 I517 Y557	A498-T515 CarbonylContact C-O 3.58Å; A498-T515 WeakPolarHBondContact CA-O 3.32Å; T499-T515 PolarHBondContact N-O 2.76Å; T499-T515 PolarHBondContact O-N 3.06Å; T515-I517 HydrophobicContact CG2-CG1 4.24Å; T515-Y557 CarbonylContact C-O 3.57Å; T515-Y557 WeakPolarHBondContact CA-O 3.5Å
516	V	94.8	Very high	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	131.6	164.7	-175.7	0	0	0	0	107.9	T496 K497 A498 F514 I533 T556 Y557 V559 V573 I580	T496-V516 HydrophobicContact CG2-CG1 3.47Å; T496-V516 VanDerWaalsContact CG2-CG1 3.47Å; K497-V516 CarbonylContact O-C 3.51Å; K497-V516 WeakPolarHBondContact O-CA 3.1Å; A498-V516 HydrophobicContact CB-CG2 4.07Å; F514-V516 HydrophobicContact CD2-CG2 4.21Å; F514-V516 HydrophobicContact CE2-CG2 3.83Å; V516-I533 HydrophobicContact CG1-CD1 4Å; V516-T556 CarbonylContact O-C 3.41Å; V516-T556 WeakPolarHBondContact O-CA 3.39Å; V516-Y557 PolarHBondContact N-O 3.48Å; V516-Y557 PolarHBondContact O-N 3.45Å; V516-V559 HydrophobicContact CG2-CG2 3.74Å; V516-V573 HydrophobicContact CG2-CG1 3.9Å; V516-I580 HydrophobicContact CG1-CD1 4.06Å
517	I	93.2	Very high	87.9	Confident	42 Å²	42	54.2 Å²	54.2	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.4	177.3	-56.3	174.4	0	0	0	106.6	K497 T515 Y519 T556	K497-I517 PolarHBondContact N-O 3.36Å; K497-I517 VanDerWaalsContact N-O 3.1Å; K497-I517 PolarHBondContact O-N 2.83Å; T515-I517 HydrophobicContact CG2-CG1 4.24Å; I517-Y519 HydrophobicContact CB-CE2 3.94Å; I517-Y519 HydrophobicContact CG2-CD2 4.21Å; I517-Y519 HydrophobicContact CG2-CE2 3.55Å; I517-Y519 WeakPolarHBondContact O-CD2 3.46Å; I517-T556 HydrophobicContact CG1-CG2 4.21Å; I517-T556 HydrophobicContact CG2-CG2 4.44Å
518	G	90.6	Very high	87.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.			trans	-70.1	132.4	174.5	0	0	0	0	0	110.6	R526 G555	G518-R526 WeakPolarHBondContact O-CB 3.42Å; G518-R526 WeakPolarHBondContact O-CG 3.47Å; G518-R526 PolarHBondContact O-N 3.09Å; G518-G555 PolarHBondContact N-O 3.37Å
519	Y	89.1	Confident	87.7	Confident	50 Å²	50	51.7 Å²	51.7	20%	0.196	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-118.3	147.7	168.6	-71.9	-91.8	0	0	0	108.6	A491 F492 L495 K497 I517 G523 E524 P525	A491-Y519 CarbonylContact C-O 3.45Å; A491-Y519 VanDerWaalsContact CA-O 3.28Å; A491-Y519 WeakPolarHBondContact CA-O 3.48Å; F492-Y519 PolarHBondContact N-O 2.91Å; L495-Y519 VanDerWaalsContact O-CD2 3.24Å; L495-Y519 WeakPolarHBondContact O-CD2 3.18Å; K497-Y519 HydrophobicContact CB-CE2 4.2Å; K497-Y519 HydrophobicContact CD-CD2 4.21Å; K497-Y519 HydrophobicContact CD-CE2 3.81Å; K497-Y519 HydrophobicContact CG-CE2 4.46Å; I517-Y519 HydrophobicContact CB-CE2 3.94Å; I517-Y519 HydrophobicContact CG2-CD2 4.21Å; I517-Y519 HydrophobicContact CG2-CE2 3.55Å; I517-Y519 WeakPolarHBondContact O-CD2 3.46Å; Y519-G523 VanDerWaalsContact CD1-O 3.27Å; Y519-G523 WeakPolarHBondContact CD1-O 3.4Å; Y519-E524 VanDerWaalsContact CA-O 3.32Å; Y519-E524 WeakPolarHBondContact CA-O 3.37Å; Y519-P525 HydrophobicContact CD1-CB 4.32Å; Y519-P525 HydrophobicContact CE1-CB 4.03Å
520	D	87.8	Confident	87.8	Confident	22 Å²	22	53.3 Å²	53.3	12%	0.118	31%	0.309	C	S	.	.			trans	-84.6	-166.7	174.7	67.7	28.8	0	0	0	112.5	S489 D522 G523 E524	S489-D520 WeakPolarHBondContact OG-CB 3.26Å; D520-D522 PolarHBondContact OD1-N 3.29Å; D520-G523 PolarHBondContact O-N 3.22Å; D520-G523 PolarHBondContact OD1-N 2.94Å; D520-E524 PolarHBondContact N-O 3.46Å; D520-E524 PolarHBondContact OD1-N 2.98Å
521	H	84.9	Confident	88.1	Confident	122 Å²	122	50.1 Å²	50.1	57%	0.565	30%	0.296	S	S	*	.	S	Bend	trans	-73.4	-19.9	-179	67.5	-6.2	0	0	0	115.2	G523	H521-G523 VanDerWaalsContact C-N 3.34Å
522	D	82.8	Confident	88.1	Confident	126 Å²	126	53.5 Å²	53.5	67%	0.674	31%	0.309	S	S	*	.	S	Bend	trans	-88.9	-11.5	177.5	-65.3	-53.4	0	0	0	111	D520	D520-D522 PolarHBondContact OD1-N 3.29Å
523	G	83.3	Confident	88.2	Confident	33 Å²	33	54 Å²	54	34%	0.34	31%	0.31	S	S	.	.	S	Bend	trans	89	13.2	-175.7	0	0	0	0	0	113.5	Y519 D520 H521	Y519-G523 VanDerWaalsContact CD1-O 3.27Å; Y519-G523 WeakPolarHBondContact CD1-O 3.4Å; D520-G523 PolarHBondContact O-N 3.22Å; D520-G523 PolarHBondContact OD1-N 2.94Å; H521-G523 VanDerWaalsContact C-N 3.34Å
524	E	85.3	Confident	88.3	Confident	124 Å²	124	53.5 Å²	53.5	58%	0.579	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-83.3	147.5	173.3	-70.2	-64.4	159	0	0	110.8	Y519 D520	Y519-E524 VanDerWaalsContact CA-O 3.32Å; Y519-E524 WeakPolarHBondContact CA-O 3.37Å; D520-E524 PolarHBondContact N-O 3.46Å; D520-E524 PolarHBondContact OD1-N 2.98Å
525	P	86.7	Confident	88.4	Confident	58 Å²	58	53.6 Å²	53.6	38%	0.377	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-73.3	134.4	-178.9	30.2	-33.2	0	0	0	110.8	Y519 L527	Y519-P525 HydrophobicContact CD1-CB 4.32Å; Y519-P525 HydrophobicContact CE1-CB 4.03Å; P525-L527 PolarHBondContact O-N 2.91Å
526	R	88.1	Confident	88.4	Confident	19 Å²	19	53.6 Å²	53.6	7%	0.072	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-58.9	133.3	174.8	-67.5	-87.6	-70.9	116.6	16.2	109.4	S488 S489 A491 G518 S528 G529 D531 G555	S488-R526 PolarHBondContact OG-NH1 3.31Å; S489-R526 WeakPolarHBondContact O-CD 3.42Å; S489-R526 PolarHBondContact O-NE 2.43Å; S489-R526 PolarHBondContact O-NH1 3.45Å; A491-R526 HydrophobicContact CB-CG 3.97Å; G518-R526 WeakPolarHBondContact O-CB 3.42Å; G518-R526 WeakPolarHBondContact O-CG 3.47Å; G518-R526 PolarHBondContact O-N 3.09Å; R526-S528 VanDerWaalsContact CZ-O 3.31Å; R526-S528 PolarHBondContact NH1-OG 3.24Å; R526-S528 PolarHBondContact NH2-O 3.03Å; R526-G529 PolarHBondContact NH2-O 2.93Å; R526-D531 IonicContact CZ-OD1 2.78Å; R526-D531 IonicContact CZ-OD2 3.87Å; R526-D531 VanDerWaalsContact CZ-OD2 3.28Å; R526-D531 IonicContact NE-OD1 2.91Å; R526-D531 PolarHBondContact NE-OD1 3.12Å; R526-D531 IonicContact NE-OD2 3.26Å; R526-D531 PolarHBondContact NE-OD2 3.33Å; R526-D531 VanDerWaalsContact NH2-CG 3.33Å; R526-D531 IonicContact NH2-OD1 3.77Å; R526-D531 PolarHBondContact NH2-OD1 2.88Å; R526-D531 IonicContact NH2-OD2 3.11Å; R526-D531 PolarHBondContact NH2-OD2 3.37Å; R526-G555 WeakPolarHBondContact O-CA 3.5Å
527	L	84.5	Confident	88.5	Confident	126 Å²	126	53.6 Å²	53.6	66%	0.66	31%	0.308	S	S	*	.	S	Bend	trans	-99.6	0.1	176.9	-58.4	-179.9	0	0	0	113.1	P525	P525-L527 PolarHBondContact O-N 2.91Å
528	S	84.4	Confident	88.6	Confident	30 Å²	30	55 Å²	55	21%	0.21	31%	0.314	C	S	.	.	S	Bend	trans	-139.8	149.9	-178.2	55.5	0	0	0	0	110.6	S488 R526 Q553 G555	S488-S528 PolarHBondContact OG-OG 2.91Å; R526-S528 VanDerWaalsContact CZ-O 3.31Å; R526-S528 PolarHBondContact NH1-OG 3.24Å; R526-S528 PolarHBondContact NH2-O 3.03Å; S528-Q553 CarbonylContact C-O 3.51Å; S528-Q553 WeakPolarHBondContact CA-O 3.44Å; S528-G555 VanDerWaalsContact C-N 3.31Å; S528-G555 VanDerWaalsContact O-CA 3.25Å; S528-G555 WeakPolarHBondContact O-CA 3.12Å; S528-G555 PolarHBondContact O-N 3.03Å
529	G	85	Confident	88.6	Confident	18 Å²	18	55.2 Å²	55.2	19%	0.186	32%	0.317	C	S	.	.			trans	-77.8	-157.3	173.7	0	0	0	0	0	113.8	R526 D551 Q553 Y557	R526-G529 PolarHBondContact NH2-O 2.93Å; G529-D551 WeakPolarHBondContact CA-OD1 3.39Å; G529-D551 WeakPolarHBondContact CA-OD2 3.36Å; G529-Q553 VanDerWaalsContact N-C 3.3Å; G529-Q553 PolarHBondContact N-O 2.8Å; G529-Y557 WeakPolarHBondContact CA-OH 3.14Å
530	G	84.4	Confident	88.7	Confident	64 Å²	64	56.3 Å²	56.3	66%	0.66	33%	0.33	S	S	*	.			trans	90.2	2.5	174.3	0	0	0	0	0	116.5	D551 Y557	G530-D551 PolarHBondContact N-OD2 2.84Å; G530-Y557 PolarHBondContact N-OH 3.16Å
531	D	88.8	Confident	88.9	Confident	26 Å²	26	59.2 Å²	59.2	14%	0.139	35%	0.346	C	S	.	.			trans	-77	139.4	175.9	-54.4	-73.8	0	0	0	111.1	G490 A491 R526 I533 Y557 M575	G490-D531 WeakPolarHBondContact CA-OD1 3.39Å; A491-D531 HydrophobicContact CB-CB 4.14Å; A491-D531 PolarHBondContact N-OD1 3.4Å; R526-D531 IonicContact CZ-OD1 2.78Å; R526-D531 IonicContact CZ-OD2 3.87Å; R526-D531 VanDerWaalsContact CZ-OD2 3.28Å; R526-D531 IonicContact NE-OD1 2.91Å; R526-D531 PolarHBondContact NE-OD1 3.12Å; R526-D531 IonicContact NE-OD2 3.26Å; R526-D531 PolarHBondContact NE-OD2 3.33Å; R526-D531 VanDerWaalsContact NH2-CG 3.33Å; R526-D531 IonicContact NH2-OD1 3.77Å; R526-D531 PolarHBondContact NH2-OD1 2.88Å; R526-D531 IonicContact NH2-OD2 3.11Å; R526-D531 PolarHBondContact NH2-OD2 3.37Å; D531-I533 VanDerWaalsContact C-N 3.34Å; D531-I533 PolarHBondContact O-N 2.87Å; D531-Y557 VanDerWaalsContact CB-OH 3.25Å; D531-Y557 WeakPolarHBondContact CB-OH 3.15Å; D531-Y557 PolarHBondContact N-OH 2.97Å; D531-Y557 PolarHBondContact OD2-OH 2.85Å; D531-M575 HydrophobicContact CB-SD 4.1Å
532	M	87.7	Confident	89	Confident	153 Å²	153	55.6 Å²	55.6	75%	0.754	34%	0.341	S	S	*	.			trans	-80	77.5	-176.5	-67.6	-174.1	71.1	0	0	112.2	M575 C576	M532-M575 WeakPolarHBondContact O-CA 3Å; M532-C576 PolarHBondContact O-N 3.29Å
533	I	91.9	Very high	89.4	Confident	20 Å²	20	54.6 Å²	54.6	10%	0.103	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.9	173.7	-69	161.6	0	0	0	110.6	V516 D531 V549 Y557 V573 M574 M575	V516-I533 HydrophobicContact CG1-CD1 4Å; D531-I533 VanDerWaalsContact C-N 3.34Å; D531-I533 PolarHBondContact O-N 2.87Å; I533-V549 HydrophobicContact CB-CG1 4.47Å; I533-V549 HydrophobicContact CG2-CG1 4.11Å; I533-Y557 HydrophobicContact CD1-CD1 4.06Å; I533-Y557 HydrophobicContact CD1-CD2 3.34Å; I533-Y557 HydrophobicContact CD1-CE1 4.21Å; I533-Y557 HydrophobicContact CD1-CE2 3.53Å; I533-Y557 HydrophobicContact CD1-CG 3.64Å; I533-V573 HydrophobicContact CG2-CG1 4.28Å; I533-M574 WeakPolarHBondContact CA-O 3.5Å; I533-M575 HydrophobicContact CD1-SD 4.05Å; I533-M575 HydrophobicContact CG1-CB 4.04Å; I533-M575 HydrophobicContact CG1-CG 3.67Å; I533-M575 HydrophobicContact CG1-SD 3.64Å
534	S	93.8	Very high	89.7	Confident	46 Å²	46	58.5 Å²	58.5	32%	0.322	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.6	170.8	64	0	0	0	0	110.5	M574	S534-M574 PolarHBondContact N-O 2.8Å; S534-M574 PolarHBondContact O-N 2.71Å; S534-M574 VanDerWaalsContact O-O 3.11Å
535	A	95.1	Very high	90	Very high	6 Å²	6	55.5 Å²	55.5	5%	0.05	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.5	177.8	0	0	0	0	0	110.6	A547 V549 V559 S572 V573	A535-A547 HydrophobicContact CB-CB 3.82Å; A535-A547 PolarHBondContact O-N 2.99Å; A535-V549 HydrophobicContact CB-CG2 4.08Å; A535-V559 HydrophobicContact CB-CG1 3.58Å; A535-S572 WeakPolarHBondContact CA-O 3.45Å; A535-V573 HydrophobicContact CB-CG2 4.37Å
536	V	95	Very high	90	Very high	40 Å²	40	55.5 Å²	55.5	24%	0.242	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.3	-178.3	-171.3	0	0	0	0	108.4	L544 S572 M574	V536-L544 HydrophobicContact CG1-CB 4.13Å; V536-L544 HydrophobicContact CG1-CD2 3.81Å; V536-L544 HydrophobicContact CG1-CG 4.5Å; V536-S572 PolarHBondContact N-O 2.88Å; V536-S572 PolarHBondContact O-N 3.48Å; V536-M574 HydrophobicContact CG2-CE 3.95Å
537	V	95.5	Very high	90.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.9	178.9	-170.6	0	0	0	0	109.3	L544 F545 A547 Y561 H569 L570 V571	V537-L544 WeakPolarHBondContact O-CA 3.49Å; V537-F545 HydrophobicContact CB-CD1 4.34Å; V537-F545 HydrophobicContact CB-CD2 4.08Å; V537-F545 HydrophobicContact CB-CE1 3.93Å; V537-F545 HydrophobicContact CB-CE2 3.66Å; V537-F545 HydrophobicContact CB-CG 4.41Å; V537-F545 HydrophobicContact CB-CZ 3.58Å; V537-F545 HydrophobicContact CG1-CE1 3.85Å; V537-F545 HydrophobicContact CG1-CE2 4Å; V537-F545 HydrophobicContact CG1-CZ 3.45Å; V537-F545 VanDerWaalsContact CG1-CZ 3.45Å; V537-F545 HydrophobicContact CG2-CE2 4.06Å; V537-F545 HydrophobicContact CG2-CZ 4.37Å; V537-F545 PolarHBondContact N-O 2.85Å; V537-F545 WeakPolarHBondContact O-CD1 3.45Å; V537-F545 PolarHBondContact O-N 2.85Å; V537-A547 HydrophobicContact CG2-CB 4.34Å; V537-Y561 HydrophobicContact CG1-CD2 4.37Å; V537-Y561 HydrophobicContact CG1-CE2 4.43Å; V537-Y561 HydrophobicContact CG2-CD1 4.42Å; V537-Y561 HydrophobicContact CG2-CD2 3.88Å; V537-Y561 HydrophobicContact CG2-CE2 4.45Å; V537-Y561 HydrophobicContact CG2-CG 3.86Å; V537-H569 HydrophobicContact CG1-CB 4.06Å; V537-L570 CarbonylContact C-O 3.48Å; V537-L570 WeakPolarHBondContact CA-O 3.37Å; V537-V571 HydrophobicContact CG1-CG2 4.1Å; V537-V571 HydrophobicContact CG2-CG1 4.43Å; V537-V571 HydrophobicContact CG2-CG2 4.12Å
538	M	95	Very high	90.7	Very high	71 Å²	71	55.1 Å²	55.1	35%	0.35	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.8	169.4	-167.5	-175.8	-73	0	0	109.2	N543 L544 H569 L570	M538-N543 WeakPolarHBondContact CA-O 3.27Å; M538-L544 HydrophobicContact CB-CD2 3.71Å; M538-L544 HydrophobicContact CE-CD2 3.89Å; M538-L544 HydrophobicContact CG-CD2 4.02Å; M538-H569 CarbonylContact O-C 3.53Å; M538-H569 WeakPolarHBondContact O-CA 3.35Å; M538-H569 WeakPolarHBondContact O-CB 3.11Å; M538-L570 HydrophobicContact CB-CB 4.19Å; M538-L570 PolarHBondContact N-O 2.92Å; M538-L570 PolarHBondContact O-N 3.46Å; M538-L570 HydrophobicContact SD-CD1 4.4Å
539	G	92.1	Very high	91.3	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	35%	0.352	C	S	.	.			trans	-77	166.3	169.8	0	0	0	0	0	113	D541 G542 N543	G539-D541 WeakPolarHBondContact CA-OD1 3.44Å; G539-D541 PolarHBondContact O-N 2.8Å; G539-G542 WeakPolarHBondContact O-CA 3.25Å; G539-G542 PolarHBondContact O-N 3.26Å; G539-N543 PolarHBondContact N-O 3.14Å
540	P	91.3	Very high	91.7	Very high	72 Å²	72	58.8 Å²	58.8	47%	0.468	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.9	175.6	27.2	-34.4	0	0	0	113.4	G542 L565 E566 E568 H569	P540-G542 VanDerWaalsContact C-N 3.29Å; P540-L565 HydrophobicContact CG-CB 4.33Å; P540-L565 HydrophobicContact CG-CD1 4.49Å; P540-E566 WeakPolarHBondContact CG-O 3.46Å; P540-E568 WeakPolarHBondContact CB-O 3.42Å; P540-H569 WeakPolarHBondContact CD-CE1 3.35Å
541	D	91.2	Very high	92.1	Very high	84 Å²	84	58.5 Å²	58.5	45%	0.449	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.2	168.4	63	-14.1	0	0	0	113.3	G539 N543 L565	G539-D541 WeakPolarHBondContact CA-OD1 3.44Å; G539-D541 PolarHBondContact O-N 2.8Å; D541-N543 VanDerWaalsContact C-N 3.29Å; D541-N543 PolarHBondContact O-N 3.32Å; D541-N543 PolarHBondContact OD1-N 3.38Å; D541-N543 PolarHBondContact OD2-ND2 3.23Å; D541-L565 HydrophobicContact CB-CD1 3.83Å; D541-L565 VanDerWaalsContact CG-CD1 3.41Å; D541-L565 WeakPolarHBondContact OD2-CD1 3.48Å
542	G	87.3	Confident	92.1	Very high	45 Å²	45	61.6 Å²	61.6	46%	0.464	36%	0.363	S	S	.	.	S	Bend	trans	80.9	-0.9	-175.6	0	0	0	0	0	114.6	G539 P540	G539-G542 WeakPolarHBondContact O-CA 3.25Å; G539-G542 PolarHBondContact O-N 3.26Å; P540-G542 VanDerWaalsContact C-N 3.29Å
543	N	90.5	Very high	92.1	Very high	106 Å²	106	61.9 Å²	61.9	57%	0.567	36%	0.363	S	S	*	.			trans	-75.8	135.8	-179.8	-77.4	-50.2	0	0	0	111.3	M538 G539 D541	M538-N543 WeakPolarHBondContact CA-O 3.27Å; G539-N543 PolarHBondContact N-O 3.14Å; D541-N543 VanDerWaalsContact C-N 3.29Å; D541-N543 PolarHBondContact O-N 3.32Å; D541-N543 PolarHBondContact OD1-N 3.38Å; D541-N543 PolarHBondContact OD2-ND2 3.23Å
544	L	90.1	Very high	91.9	Very high	115 Å²	115	64.4 Å²	64.4	60%	0.602	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.5	178.2	-68.8	166.3	0	0	0	110.5	V536 V537 M538	V536-L544 HydrophobicContact CG1-CB 4.13Å; V536-L544 HydrophobicContact CG1-CD2 3.81Å; V536-L544 HydrophobicContact CG1-CG 4.5Å; V537-L544 WeakPolarHBondContact O-CA 3.49Å; M538-L544 HydrophobicContact CB-CD2 3.71Å; M538-L544 HydrophobicContact CE-CD2 3.89Å; M538-L544 HydrophobicContact CG-CD2 4.02Å
545	F	91.4	Very high	91.5	Very high	60 Å²	60	62.2 Å²	62.2	26%	0.263	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148	170.5	59.3	-84.4	0	0	0	111.2	V537 Y561 P563	V537-F545 HydrophobicContact CB-CD1 4.34Å; V537-F545 HydrophobicContact CB-CD2 4.08Å; V537-F545 HydrophobicContact CB-CE1 3.93Å; V537-F545 HydrophobicContact CB-CE2 3.66Å; V537-F545 HydrophobicContact CB-CG 4.41Å; V537-F545 HydrophobicContact CB-CZ 3.58Å; V537-F545 HydrophobicContact CG1-CE1 3.85Å; V537-F545 HydrophobicContact CG1-CE2 4Å; V537-F545 HydrophobicContact CG1-CZ 3.45Å; V537-F545 VanDerWaalsContact CG1-CZ 3.45Å; V537-F545 HydrophobicContact CG2-CE2 4.06Å; V537-F545 HydrophobicContact CG2-CZ 4.37Å; V537-F545 PolarHBondContact N-O 2.85Å; V537-F545 WeakPolarHBondContact O-CD1 3.45Å; V537-F545 PolarHBondContact O-N 2.85Å; F545-Y561 HydrophobicContact CE2-CD2 4.18Å; F545-P563 HydrophobicContact CZ-CB 4.27Å
546	G	87.5	Confident	91.4	Very high	59 Å²	59	63.3 Å²	63.3	61%	0.608	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	149.7	178	0	0	0	0	0	112.2
547	A	93.4	Very high	91.4	Very high	13 Å²	13	61.6 Å²	61.6	11%	0.107	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-103.6	140.4	161.6	0	0	0	0	0	109.2	A535 V537 V559 S560	A535-A547 HydrophobicContact CB-CB 3.82Å; A535-A547 PolarHBondContact O-N 2.99Å; V537-A547 HydrophobicContact CG2-CB 4.34Å; A547-V559 HydrophobicContact CB-CG1 3.76Å; A547-S560 CarbonylContact C-O 3.55Å
548	D	94.4	Very high	91.3	Very high	123 Å²	123	64.7 Å²	64.7	66%	0.658	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.1	174.8	-62.9	-52.2	0	0	0	109.2	V559 S560	D548-V559 CarbonylContact O-C 3.57Å; D548-V559 WeakPolarHBondContact O-CA 3.31Å; D548-S560 PolarHBondContact N-O 2.86Å; D548-S560 PolarHBondContact O-N 3.21Å
549	V	95.2	Very high	91.3	Very high	55 Å²	55	61.3 Å²	61.3	33%	0.333	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.5	178.1	-175.1	0	0	0	0	109	I533 A535 V559	I533-V549 HydrophobicContact CB-CG1 4.47Å; I533-V549 HydrophobicContact CG2-CG1 4.11Å; A535-V549 HydrophobicContact CB-CG2 4.08Å; V549-V559 HydrophobicContact CG1-CG2 4.38Å; V549-V559 HydrophobicContact CG2-CG1 4.48Å; V549-V559 HydrophobicContact CG2-CG2 4.24Å
550	S	93.9	Very high	91.4	Very high	70 Å²	70	62.4 Å²	62.4	49%	0.49	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114	-179.5	-173.4	0	0	0	0	110.6	Y557 L558	S550-Y557 CarbonylContact O-C 3.58Å; S550-Y557 WeakPolarHBondContact O-CA 3.46Å; S550-L558 PolarHBondContact N-O 2.76Å; S550-L558 PolarHBondContact O-N 3.44Å
551	D	92.4	Very high	91.5	Very high	58 Å²	58	59.3 Å²	59.3	31%	0.31	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.7	175.3	-178.2	1.2	0	0	0	110.6	G529 G530 Q553 Y557	G529-D551 WeakPolarHBondContact CA-OD1 3.39Å; G529-D551 WeakPolarHBondContact CA-OD2 3.36Å; G530-D551 PolarHBondContact N-OD2 2.84Å; D551-Q553 PolarHBondContact O-N 2.92Å; D551-Q553 WeakPolarHBondContact OD1-CA 3.3Å; D551-Q553 PolarHBondContact OD1-N 3.37Å; D551-Y557 HydrophobicContact CB-CD1 3.74Å; D551-Y557 HydrophobicContact CB-CE1 3.72Å; D551-Y557 VanDerWaalsContact CG-CE1 3.41Å
552	Q	90.2	Very high	91.5	Very high	91 Å²	91	61.5 Å²	61.5	43%	0.425	34%	0.344	S	S	.	.			trans	-86.8	7	177.7	-55.7	-177.6	40.8	0	0	112.8	N554 T556	Q552-N554 WeakPolarHBondContact CB-OD1 3.49Å; Q552-N554 PolarHBondContact O-N 2.8Å; Q552-T556 WeakPolarHBondContact CB-O 3.1Å; Q552-T556 PolarHBondContact N-O 3.24Å
553	Q	87.8	Confident	91.7	Very high	160 Å²	160	59.3 Å²	59.3	75%	0.748	32%	0.322	S	S	*	.	S	Bend	trans	63.6	3.3	178.1	-55.2	-178.2	7.6	0	0	115.4	S528 G529 D551	S528-Q553 CarbonylContact C-O 3.51Å; S528-Q553 WeakPolarHBondContact CA-O 3.44Å; G529-Q553 VanDerWaalsContact N-C 3.3Å; G529-Q553 PolarHBondContact N-O 2.8Å; D551-Q553 PolarHBondContact O-N 2.92Å; D551-Q553 WeakPolarHBondContact OD1-CA 3.3Å; D551-Q553 PolarHBondContact OD1-N 3.37Å
554	N	87.1	Confident	91.6	Very high	73 Å²	73	59.9 Å²	59.9	39%	0.39	32%	0.321	S	S	.	.	S	Bend	trans	-112.5	14	-175.6	66.2	2.4	0	0	0	113.4	Q552 T556	Q552-N554 WeakPolarHBondContact CB-OD1 3.49Å; Q552-N554 PolarHBondContact O-N 2.8Å; N554-T556 PolarHBondContact ND2-OG1 2.76Å; N554-T556 WeakPolarHBondContact OD1-CA 3.38Å; N554-T556 WeakPolarHBondContact OD1-CB 3.48Å; N554-T556 PolarHBondContact OD1-N 3.29Å; N554-T556 PolarHBondContact OD1-OG1 3.02Å
555	G	86	Confident	91.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	85.3	0.5	-173.5	0	0	0	0	0	115.3	G518 R526 S528 Y557	G518-G555 PolarHBondContact N-O 3.37Å; R526-G555 WeakPolarHBondContact O-CA 3.5Å; S528-G555 VanDerWaalsContact C-N 3.31Å; S528-G555 VanDerWaalsContact O-CA 3.25Å; S528-G555 WeakPolarHBondContact O-CA 3.12Å; S528-G555 PolarHBondContact O-N 3.03Å; G555-Y557 WeakPolarHBondContact O-CE2 3.48Å
556	T	92.4	Very high	91.4	Very high	28 Å²	28	59.3 Å²	59.3	17%	0.172	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.3	172.9	74.5	0	0	0	0	112	V516 I517 Q552 N554	V516-T556 CarbonylContact O-C 3.41Å; V516-T556 WeakPolarHBondContact O-CA 3.39Å; I517-T556 HydrophobicContact CG1-CG2 4.21Å; I517-T556 HydrophobicContact CG2-CG2 4.44Å; Q552-T556 WeakPolarHBondContact CB-O 3.1Å; Q552-T556 PolarHBondContact N-O 3.24Å; N554-T556 PolarHBondContact ND2-OG1 2.76Å; N554-T556 WeakPolarHBondContact OD1-CA 3.38Å; N554-T556 WeakPolarHBondContact OD1-CB 3.48Å; N554-T556 PolarHBondContact OD1-N 3.29Å; N554-T556 PolarHBondContact OD1-OG1 3.02Å
557	Y	93.9	Very high	91.5	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.5	-172	-55.8	-100.1	0	0	0	108.7	T515 V516 G529 G530 D531 I533 S550 D551 G555	T515-Y557 CarbonylContact C-O 3.57Å; T515-Y557 WeakPolarHBondContact CA-O 3.5Å; V516-Y557 PolarHBondContact N-O 3.48Å; V516-Y557 PolarHBondContact O-N 3.45Å; G529-Y557 WeakPolarHBondContact CA-OH 3.14Å; G530-Y557 PolarHBondContact N-OH 3.16Å; D531-Y557 VanDerWaalsContact CB-OH 3.25Å; D531-Y557 WeakPolarHBondContact CB-OH 3.15Å; D531-Y557 PolarHBondContact N-OH 2.97Å; D531-Y557 PolarHBondContact OD2-OH 2.85Å; I533-Y557 HydrophobicContact CD1-CD1 4.06Å; I533-Y557 HydrophobicContact CD1-CD2 3.34Å; I533-Y557 HydrophobicContact CD1-CE1 4.21Å; I533-Y557 HydrophobicContact CD1-CE2 3.53Å; I533-Y557 HydrophobicContact CD1-CG 3.64Å; S550-Y557 CarbonylContact O-C 3.58Å; S550-Y557 WeakPolarHBondContact O-CA 3.46Å; D551-Y557 HydrophobicContact CB-CD1 3.74Å; D551-Y557 HydrophobicContact CB-CE1 3.72Å; D551-Y557 VanDerWaalsContact CG-CE1 3.41Å; G555-Y557 WeakPolarHBondContact O-CE2 3.48Å
558	L	93.7	Very high	91.4	Very high	65 Å²	65	61.6 Å²	61.6	34%	0.34	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.9	174	-179.3	64.5	0	0	0	108.8	S550	S550-L558 PolarHBondContact N-O 2.76Å; S550-L558 PolarHBondContact O-N 3.44Å
559	V	95.4	Very high	91.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	172.4	-176.2	0	0	0	0	108.6	S513 F514 V516 A535 A547 D548 V549	S513-V559 CarbonylContact C-O 3.59Å; S513-V559 WeakPolarHBondContact CA-O 3.45Å; S513-V559 VanDerWaalsContact CB-O 3.23Å; S513-V559 WeakPolarHBondContact CB-O 3.36Å; F514-V559 HydrophobicContact CD1-CB 4.42Å; F514-V559 HydrophobicContact CD2-CB 4.04Å; F514-V559 HydrophobicContact CD2-CG2 4.36Å; F514-V559 HydrophobicContact CE1-CB 4Å; F514-V559 HydrophobicContact CE1-CG1 3.81Å; F514-V559 HydrophobicContact CE2-CB 3.57Å; F514-V559 HydrophobicContact CE2-CG1 3.99Å; F514-V559 HydrophobicContact CE2-CG2 3.73Å; F514-V559 HydrophobicContact CG-CB 4.45Å; F514-V559 HydrophobicContact CZ-CB 3.56Å; F514-V559 HydrophobicContact CZ-CG1 3.44Å; F514-V559 VanDerWaalsContact CZ-CG1 3.44Å; F514-V559 HydrophobicContact CZ-CG2 4.07Å; F514-V559 PolarHBondContact N-O 2.86Å; F514-V559 PolarHBondContact O-N 3.02Å; V516-V559 HydrophobicContact CG2-CG2 3.74Å; A535-V559 HydrophobicContact CB-CG1 3.58Å; A547-V559 HydrophobicContact CB-CG1 3.76Å; D548-V559 CarbonylContact O-C 3.57Å; D548-V559 WeakPolarHBondContact O-CA 3.31Å; V549-V559 HydrophobicContact CG1-CG2 4.38Å; V549-V559 HydrophobicContact CG2-CG1 4.48Å; V549-V559 HydrophobicContact CG2-CG2 4.24Å
560	S	93.7	Very high	91.4	Very high	30 Å²	30	55.7 Å²	55.7	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.2	178.8	54.7	0	0	0	0	112.5	A512 A547 D548	A512-S560 WeakPolarHBondContact O-CA 3.46Å; A547-S560 CarbonylContact C-O 3.55Å; D548-S560 PolarHBondContact N-O 2.86Å; D548-S560 PolarHBondContact O-N 3.21Å
561	Y	93.7	Very high	91.4	Very high	6 Å²	6	52.4 Å²	52.4	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	163.7	-179.4	69.1	-82.2	0	0	0	111.1	G502 A506 V511 A512 F514 V537 F545 P563 V571	G502-Y561 WeakPolarHBondContact O-CE1 3.43Å; G502-Y561 PolarHBondContact O-OH 3.3Å; A506-Y561 HydrophobicContact CB-CE2 4.35Å; V511-Y561 CarbonylContact C-O 3.56Å; V511-Y561 WeakPolarHBondContact CA-O 3.31Å; A512-Y561 HydrophobicContact CB-CD1 4.45Å; A512-Y561 HydrophobicContact CB-CE1 3.9Å; A512-Y561 HydrophobicContact CB-CE2 4.29Å; A512-Y561 PolarHBondContact N-O 3.18Å; A512-Y561 PolarHBondContact O-N 2.87Å; F514-Y561 HydrophobicContact CD1-CE1 4.32Å; F514-Y561 HydrophobicContact CE1-CD1 4.29Å; F514-Y561 HydrophobicContact CE1-CE1 4.06Å; V537-Y561 HydrophobicContact CG1-CD2 4.37Å; V537-Y561 HydrophobicContact CG1-CE2 4.43Å; V537-Y561 HydrophobicContact CG2-CD1 4.42Å; V537-Y561 HydrophobicContact CG2-CD2 3.88Å; V537-Y561 HydrophobicContact CG2-CE2 4.45Å; V537-Y561 HydrophobicContact CG2-CG 3.86Å; F545-Y561 HydrophobicContact CE2-CD2 4.18Å; Y561-P563 HydrophobicContact CD2-CG 4.43Å; Y561-P563 HydrophobicContact CE2-CB 4.38Å; Y561-P563 HydrophobicContact CE2-CG 4.1Å; Y561-V571 HydrophobicContact CE1-CG2 4.33Å
562	R	92.2	Very high	91.6	Very high	130 Å²	130	50.8 Å²	50.8	49%	0.491	25%	0.254	S	S	.	.			trans	-131.5	94.2	-179.4	-171.5	-169.9	-65.4	-105.8	7.5	110.3	G509 K510 Q564	G509-R562 WeakPolarHBondContact O-CD 3.34Å; G509-R562 WeakPolarHBondContact O-CG 3.39Å; G509-R562 PolarHBondContact O-NH1 2.96Å; K510-R562 WeakPolarHBondContact O-CA 3.42Å; K510-R562 WeakPolarHBondContact O-CG 3.29Å; R562-Q564 PolarHBondContact O-NE2 3.49Å
563	P	90.8	Very high	91.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.			trans	-68.2	137	-179.3	29.6	-33.3	0	0	0	110.9	A506 G509 F545 Y561 V589	A506-P563 HydrophobicContact CB-CG 4.07Å; G509-P563 PolarHBondContact N-O 3.33Å; F545-P563 HydrophobicContact CZ-CB 4.27Å; Y561-P563 HydrophobicContact CD2-CG 4.43Å; Y561-P563 HydrophobicContact CE2-CB 4.38Å; Y561-P563 HydrophobicContact CE2-CG 4.1Å; P563-V589 HydrophobicContact CB-CB 4.48Å; P563-V589 HydrophobicContact CB-CG1 4Å; P563-V589 HydrophobicContact CB-CG2 3.75Å; P563-V589 HydrophobicContact CG-CB 4.43Å; P563-V589 HydrophobicContact CG-CG1 3.69Å; P563-V589 HydrophobicContact CG-CG2 3.79Å
564	Q	88.2	Confident	92	Very high	117 Å²	117	40.8 Å²	40.8	55%	0.547	21%	0.208	S	C	.	.			trans	-97.4	-17.4	-178.3	-57.1	-54.4	-54.5	0	0	113.3	Q508 R562	Q508-Q564 WeakPolarHBondContact CG-O 3.32Å; Q508-Q564 PolarHBondContact NE2-O 3.04Å; R562-Q564 PolarHBondContact O-NE2 3.49Å
565	L	89.1	Confident	92.1	Very high	70 Å²	70	37.4 Å²	37.4	37%	0.366	19%	0.19	S	C	.	.	S	Bend	trans	-114.4	162.2	-179.6	-61.8	-179.8	0	0	0	110.9	P540 D541 H569 V589	P540-L565 HydrophobicContact CG-CB 4.33Å; P540-L565 HydrophobicContact CG-CD1 4.49Å; D541-L565 HydrophobicContact CB-CD1 3.83Å; D541-L565 VanDerWaalsContact CG-CD1 3.41Å; D541-L565 WeakPolarHBondContact OD2-CD1 3.48Å; L565-H569 PolarHBondContact O-CE1 3.32Å; L565-H569 VanDerWaalsContact O-CE1 3.24Å; L565-V589 VanDerWaalsContact O-CG1 3.25Å; L565-V589 WeakPolarHBondContact O-CG1 3.39Å
566	E	89.2	Confident	91.8	Very high	94 Å²	94	41.9 Å²	41.9	44%	0.439	22%	0.22	S	C	.	.			trans	-93.2	154	167.9	-61.7	-171.4	-128.9	0	0	110.5	Q508 P540 S591	Q508-E566 HydrophobicContact CB-CG 4.18Å; Q508-E566 HydrophobicContact CG-CG 4.31Å; P540-E566 WeakPolarHBondContact CG-O 3.46Å; E566-S591 WeakPolarHBondContact OE1-CB 3.35Å; E566-S591 PolarHBondContact OE1-OG 3.04Å; E566-S591 WeakPolarHBondContact OE2-CB 3.35Å; E566-S591 PolarHBondContact OE2-N 3.2Å
567	G	88.2	Confident	91.2	Very high	27 Å²	27	47.6 Å²	47.6	28%	0.278	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	116.9	-172.9	179.4	0	0	0	0	0	114	H569 V589	G567-H569 PolarHBondContact O-N 3.07Å; G567-H569 PolarHBondContact O-ND1 3.2Å; G567-V589 PolarHBondContact N-O 2.99Å; G567-V589 PolarHBondContact O-N 2.93Å
568	E	92.5	Very high	90.8	Very high	92 Å²	92	53 Å²	53	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.3	179	-163.9	-173.7	120.8	0	0	110.7	P540 K586	P540-E568 WeakPolarHBondContact CB-O 3.42Å; E568-K586 WeakPolarHBondContact OE1-CG 3.38Å; E568-K586 IonicContact OE1-NZ 2.82Å; E568-K586 PolarHBondContact OE1-NZ 2.83Å; E568-K586 IonicContact OE2-NZ 3.21Å; E568-K586 PolarHBondContact OE2-NZ 2.93Å
569	H	93.9	Very high	90.8	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.4	173.3	-69	57	0	0	0	109.4	V537 M538 P540 L565 G567 V587 V589	V537-H569 HydrophobicContact CG1-CB 4.06Å; M538-H569 CarbonylContact O-C 3.53Å; M538-H569 WeakPolarHBondContact O-CA 3.35Å; M538-H569 WeakPolarHBondContact O-CB 3.11Å; P540-H569 WeakPolarHBondContact CD-CE1 3.35Å; L565-H569 PolarHBondContact O-CE1 3.32Å; L565-H569 VanDerWaalsContact O-CE1 3.24Å; G567-H569 PolarHBondContact O-N 3.07Å; G567-H569 PolarHBondContact O-ND1 3.2Å; H569-V587 PolarHBondContact N-O 2.92Å; H569-V587 PolarHBondContact O-N 3.27Å; H569-V589 HydrophobicContact CB-CG2 4.39Å; H569-V589 VanDerWaalsContact CE1-CG2 3.45Å; H569-V589 WeakPolarHBondContact CE1-CG2 3.33Å; H569-V589 WeakPolarHBondContact ND1-CG2 3.42Å
570	L	94.5	Very high	90.7	Very high	53 Å²	53	54 Å²	54	28%	0.277	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.9	172.9	-62	175	0	0	0	109.9	V537 M538 F585 K586	V537-L570 CarbonylContact C-O 3.48Å; V537-L570 WeakPolarHBondContact CA-O 3.37Å; M538-L570 HydrophobicContact CB-CB 4.19Å; M538-L570 PolarHBondContact N-O 2.92Å; M538-L570 PolarHBondContact O-N 3.46Å; M538-L570 HydrophobicContact SD-CD1 4.4Å; L570-F585 WeakPolarHBondContact CA-O 3.42Å; L570-K586 HydrophobicContact CD2-CG 3.63Å
571	V	95.6	Very high	90.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	100.7	175.6	-178.6	0	0	0	0	108.6	F514 V537 Y561 V573 P584 F585 V587	F514-V571 HydrophobicContact CE1-CG1 3.86Å; F514-V571 HydrophobicContact CZ-CG1 3.81Å; V537-V571 HydrophobicContact CG1-CG2 4.1Å; V537-V571 HydrophobicContact CG2-CG1 4.43Å; V537-V571 HydrophobicContact CG2-CG2 4.12Å; Y561-V571 HydrophobicContact CE1-CG2 4.33Å; V571-V573 HydrophobicContact CG1-CG2 4.13Å; V571-V573 PolarHBondContact O-N 2.82Å; V571-P584 WeakPolarHBondContact O-CA 3.44Å; V571-F585 HydrophobicContact CB-CB 4.38Å; V571-F585 PolarHBondContact N-O 2.84Å; V571-F585 WeakPolarHBondContact O-CD2 3.47Å; V571-F585 PolarHBondContact O-N 2.94Å; V571-V587 HydrophobicContact CB-CG2 4.38Å; V571-V587 HydrophobicContact CG2-CB 4.39Å; V571-V587 HydrophobicContact CG2-CG2 3.62Å
572	S	94.9	Very high	90.4	Very high	25 Å²	25	61.1 Å²	61.1	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	100.4	175.2	-67.5	0	0	0	0	110	A535 V536	A535-S572 WeakPolarHBondContact CA-O 3.45Å; V536-S572 PolarHBondContact N-O 2.88Å; V536-S572 PolarHBondContact O-N 3.48Å
573	V	95.5	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128	168.1	-173.4	0	0	0	0	108.9	F514 V516 I533 A535 V571 I580 S583 F585	F514-V573 HydrophobicContact CE2-CG2 3.69Å; F514-V573 HydrophobicContact CZ-CG2 3.57Å; V516-V573 HydrophobicContact CG2-CG1 3.9Å; I533-V573 HydrophobicContact CG2-CG1 4.28Å; A535-V573 HydrophobicContact CB-CG2 4.37Å; V571-V573 HydrophobicContact CG1-CG2 4.13Å; V571-V573 PolarHBondContact O-N 2.82Å; V573-I580 HydrophobicContact CB-CD1 3.8Å; V573-I580 HydrophobicContact CB-CG1 3.92Å; V573-I580 HydrophobicContact CG1-CD1 3.5Å; V573-I580 VanDerWaalsContact CG1-CD1 3.5Å; V573-I580 HydrophobicContact CG1-CG1 3.94Å; V573-I580 HydrophobicContact CG1-CG2 4.48Å; V573-I580 PolarHBondContact O-N 3.48Å; V573-S583 PolarHBondContact N-OG 2.93Å; V573-S583 WeakPolarHBondContact O-CB 3.28Å; V573-S583 PolarHBondContact O-OG 2.84Å; V573-F585 HydrophobicContact CB-CE2 4.26Å; V573-F585 HydrophobicContact CG2-CD2 4.2Å; V573-F585 HydrophobicContact CG2-CE2 3.98Å
574	M	92.1	Very high	90.6	Very high	40 Å²	40	58.6 Å²	58.6	20%	0.197	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.8	-175.6	-64.7	173.7	-72.1	0	0	111	I533 S534 V536 Q578	I533-M574 WeakPolarHBondContact CA-O 3.5Å; S534-M574 PolarHBondContact N-O 2.8Å; S534-M574 PolarHBondContact O-N 2.71Å; S534-M574 VanDerWaalsContact O-O 3.11Å; V536-M574 HydrophobicContact CG2-CE 3.95Å; M574-Q578 CarbonylContact C-O 3.58Å; M574-Q578 WeakPolarHBondContact CA-O 3.32Å
575	M	87.9	Confident	90.9	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.015	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	129.8	172.7	-167.6	175	76.5	0	0	108.5	A491 A493 D531 M532 I533 N577 Q578 I580	A491-M575 HydrophobicContact CB-CE 3.51Å; A491-M575 HydrophobicContact CB-SD 3.62Å; A491-M575 WeakPolarHBondContact O-CE 3.45Å; A493-M575 HydrophobicContact CB-CB 4.3Å; A493-M575 HydrophobicContact CB-CE 3.99Å; A493-M575 VanDerWaalsContact N-CE 3.29Å; D531-M575 HydrophobicContact CB-SD 4.1Å; M532-M575 WeakPolarHBondContact O-CA 3Å; I533-M575 HydrophobicContact CD1-SD 4.05Å; I533-M575 HydrophobicContact CG1-CB 4.04Å; I533-M575 HydrophobicContact CG1-CG 3.67Å; I533-M575 HydrophobicContact CG1-SD 3.64Å; M575-N577 PolarHBondContact O-N 2.81Å; M575-Q578 PolarHBondContact N-O 2.84Å; M575-Q578 PolarHBondContact O-N 2.84Å; M575-I580 HydrophobicContact CB-CG2 4.11Å
576	C	80.7	Confident	91.1	Very high	94 Å²	94	57.5 Å²	57.5	64%	0.635	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	39.2	-171.4	-60.1	0	0	0	0	113.6	M532 Q578	M532-C576 PolarHBondContact O-N 3.29Å; C576-Q578 PolarHBondContact O-N 2.99Å
577	N	80.4	Confident	91.3	Very high	148 Å²	148	53 Å²	53	79%	0.791	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	16.9	-174.4	-63.6	-4.3	0	0	0	116	M575	M575-N577 PolarHBondContact O-N 2.81Å
578	Q	85.6	Confident	91.3	Very high	116 Å²	116	55.6 Å²	55.6	54%	0.542	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	145	170.3	-60.8	-176.9	12.7	0	0	110.2	A493 M574 M575 C576	A493-Q578 HydrophobicContact CB-CB 4.11Å; M574-Q578 CarbonylContact C-O 3.58Å; M574-Q578 WeakPolarHBondContact CA-O 3.32Å; M575-Q578 PolarHBondContact N-O 2.84Å; M575-Q578 PolarHBondContact O-N 2.84Å; C576-Q578 PolarHBondContact O-N 2.99Å
579	H	92.1	Very high	91.2	Very high	83 Å²	83	51.4 Å²	51.4	38%	0.384	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.1	171.6	-79.7	-96.3	0	0	0	110.6	S583	H579-S583 PolarHBondContact ND1-OG 2.93Å
580	I	93.5	Very high	90.8	Very high	5 Å²	5	55 Å²	55	3%	0.026	29%	0.289	C	S	.	.			trans	-78.9	176.1	172.1	68.4	164.1	0	0	0	111.6	A493 T496 A498 V516 V573 M575 N582 S583 F585	A493-I580 HydrophobicContact CB-CG2 4.42Å; A493-I580 VanDerWaalsContact O-CA 3.3Å; A493-I580 WeakPolarHBondContact O-CA 3.49Å; T496-I580 HydrophobicContact CG2-CB 4.19Å; T496-I580 HydrophobicContact CG2-CD1 4.31Å; T496-I580 HydrophobicContact CG2-CG2 3.78Å; A498-I580 HydrophobicContact CB-CD1 3.85Å; V516-I580 HydrophobicContact CG1-CD1 4.06Å; V573-I580 HydrophobicContact CB-CD1 3.8Å; V573-I580 HydrophobicContact CB-CG1 3.92Å; V573-I580 HydrophobicContact CG1-CD1 3.5Å; V573-I580 VanDerWaalsContact CG1-CD1 3.5Å; V573-I580 HydrophobicContact CG1-CG1 3.94Å; V573-I580 HydrophobicContact CG1-CG2 4.48Å; V573-I580 PolarHBondContact O-N 3.48Å; M575-I580 HydrophobicContact CB-CG2 4.11Å; I580-N582 PolarHBondContact O-N 3Å; I580-S583 VanDerWaalsContact O-CB 3.28Å; I580-S583 WeakPolarHBondContact O-CB 3.49Å; I580-S583 PolarHBondContact O-N 3.12Å; I580-F585 HydrophobicContact CD1-CE2 4.35Å; I580-F585 HydrophobicContact CD1-CZ 4.44Å; I580-F585 HydrophobicContact CG1-CE2 4.41Å
581	E	90.8	Very high	90.3	Very high	69 Å²	69	55.3 Å²	55.3	32%	0.322	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127.6	179.8	-155.1	-155.5	124.5	0	0	112.1	A493 T496 K497 S583 F585	A493-E581 PolarHBondContact O-N 2.9Å; T496-E581 WeakPolarHBondContact O-CB 2.78Å; T496-E581 PolarHBondContact O-N 3.04Å; K497-E581 WeakPolarHBondContact CE-OE2 3.27Å; K497-E581 HydrophobicContact CG-CB 4.37Å; K497-E581 VanDerWaalsContact CG-OE2 3.32Å; K497-E581 WeakPolarHBondContact CG-OE2 3.35Å; K497-E581 IonicContact NZ-OE2 3.18Å; E581-S583 PolarHBondContact O-N 2.9Å; E581-F585 WeakPolarHBondContact O-CZ 3.32Å
582	N	91	Very high	89.3	Confident	115 Å²	115	56.7 Å²	56.7	62%	0.615	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	9.3	-177.8	-48.1	-75.8	0	0	0	116.7	I580 F585	I580-N582 PolarHBondContact O-N 3Å; N582-F585 HydrophobicContact CB-CD1 4.48Å; N582-F585 HydrophobicContact CB-CE1 3.79Å; N582-F585 HydrophobicContact CB-CZ 4.37Å; N582-F585 WeakPolarHBondContact O-CD1 3.24Å
583	S	93.4	Very high	88.8	Confident	16 Å²	16	58.8 Å²	58.8	11%	0.112	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-81.5	140.7	170.9	-178	0	0	0	0	110.7	V573 H579 I580 E581	V573-S583 PolarHBondContact N-OG 2.93Å; V573-S583 WeakPolarHBondContact O-CB 3.28Å; V573-S583 PolarHBondContact O-OG 2.84Å; H579-S583 PolarHBondContact ND1-OG 2.93Å; I580-S583 VanDerWaalsContact O-CB 3.28Å; I580-S583 WeakPolarHBondContact O-CB 3.49Å; I580-S583 PolarHBondContact O-N 3.12Å; E581-S583 PolarHBondContact O-N 2.9Å
584	P	93.7	Very high	88.2	Confident	61 Å²	61	62.4 Å²	62.4	40%	0.396	34%	0.338	S	S	.	.	S	Bend	cis	-80.3	140.7	2.3	32.6	-35.1	0	0	0	113.7	V571	V571-P584 WeakPolarHBondContact O-CA 3.44Å
585	F	94.4	Very high	88	Confident	25 Å²	25	60.6 Å²	60.6	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	130.8	-178	-56.1	-89	0	0	0	111.5	A498 L503 L570 V571 V573 I580 E581 N582	A498-F585 HydrophobicContact CB-CE2 4.1Å; A498-F585 HydrophobicContact CB-CZ 3.84Å; L503-F585 HydrophobicContact CD2-CB 4.15Å; L503-F585 HydrophobicContact CD2-CD1 4.19Å; L503-F585 HydrophobicContact CD2-CD2 3.71Å; L503-F585 HydrophobicContact CD2-CE2 4.14Å; L503-F585 HydrophobicContact CD2-CG 3.76Å; L570-F585 WeakPolarHBondContact CA-O 3.42Å; V571-F585 HydrophobicContact CB-CB 4.38Å; V571-F585 PolarHBondContact N-O 2.84Å; V571-F585 WeakPolarHBondContact O-CD2 3.47Å; V571-F585 PolarHBondContact O-N 2.94Å; V573-F585 HydrophobicContact CB-CE2 4.26Å; V573-F585 HydrophobicContact CG2-CD2 4.2Å; V573-F585 HydrophobicContact CG2-CE2 3.98Å; I580-F585 HydrophobicContact CD1-CE2 4.35Å; I580-F585 HydrophobicContact CD1-CZ 4.44Å; I580-F585 HydrophobicContact CG1-CE2 4.41Å; E581-F585 WeakPolarHBondContact O-CZ 3.32Å; N582-F585 HydrophobicContact CB-CD1 4.48Å; N582-F585 HydrophobicContact CB-CE1 3.79Å; N582-F585 HydrophobicContact CB-CZ 4.37Å; N582-F585 WeakPolarHBondContact O-CD1 3.24Å
586	K	93.6	Very high	87.6	Confident	139 Å²	139	66.8 Å²	66.8	60%	0.604	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	115	171.6	-72.8	172.1	167.1	-81.9	0	110.2	E568 L570	E568-K586 WeakPolarHBondContact OE1-CG 3.38Å; E568-K586 IonicContact OE1-NZ 2.82Å; E568-K586 PolarHBondContact OE1-NZ 2.83Å; E568-K586 IonicContact OE2-NZ 3.21Å; E568-K586 PolarHBondContact OE2-NZ 2.93Å; L570-K586 HydrophobicContact CD2-CG 3.63Å
587	V	92.3	Very high	87.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.1	178.2	-169.1	0	0	0	0	110.4	A506 H569 V571	A506-V587 HydrophobicContact CB-CG1 4.31Å; H569-V587 PolarHBondContact N-O 2.92Å; H569-V587 PolarHBondContact O-N 3.27Å; V571-V587 HydrophobicContact CB-CG2 4.38Å; V571-V587 HydrophobicContact CG2-CB 4.39Å; V571-V587 HydrophobicContact CG2-CG2 3.62Å
588	V	89.6	Confident	87.7	Confident	82 Å²	82	60.6 Å²	60.6	50%	0.497	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	121.5	174.2	-178.3	0	0	0	0	109.4	A506	A506-V588 PolarHBondContact N-O 2.8Å
589	V	89.4	Confident	87.1	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.1	173.4	-173.1	0	0	0	0	109.5	A506 Q508 P563 L565 G567 H569	A506-V589 HydrophobicContact CB-CG2 4.17Å; A506-V589 WeakPolarHBondContact O-CA 3.26Å; Q508-V589 HydrophobicContact CB-CG1 4.31Å; P563-V589 HydrophobicContact CB-CB 4.48Å; P563-V589 HydrophobicContact CB-CG1 4Å; P563-V589 HydrophobicContact CB-CG2 3.75Å; P563-V589 HydrophobicContact CG-CB 4.43Å; P563-V589 HydrophobicContact CG-CG1 3.69Å; P563-V589 HydrophobicContact CG-CG2 3.79Å; L565-V589 VanDerWaalsContact O-CG1 3.25Å; L565-V589 WeakPolarHBondContact O-CG1 3.39Å; G567-V589 PolarHBondContact N-O 2.99Å; G567-V589 PolarHBondContact O-N 2.93Å; H569-V589 HydrophobicContact CB-CG2 4.39Å; H569-V589 VanDerWaalsContact CE1-CG2 3.45Å; H569-V589 WeakPolarHBondContact CE1-CG2 3.33Å; H569-V589 WeakPolarHBondContact ND1-CG2 3.42Å
590	K	85.2	Confident	86.7	Confident	79 Å²	79	58.4 Å²	58.4	34%	0.343	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	158.5	171.4	-72.6	-166.6	176.6	-170.3	0	111.2	A506 L507 Q508 P860 D861	A506-K590 PolarHBondContact O-N 2.77Å; A506-K590 VanDerWaalsContact O-N 3.17Å; L507-K590 CarbonylContact C-O 3.5Å; L507-K590 VanDerWaalsContact CA-O 3.32Å; L507-K590 WeakPolarHBondContact CA-O 3.49Å; L507-K590 HydrophobicContact CD2-CB 4.09Å; Q508-K590 PolarHBondContact N-O 2.89Å; K590-P860 PolarHBondContact NZ-O 3.31Å; K590-D861 IonicContact NZ-OD1 2.9Å; K590-D861 PolarHBondContact NZ-OD1 2.89Å
591	S	83.6	Confident	86.4	Confident	58 Å²	58	58.4 Å²	58.4	41%	0.406	34%	0.341	S	S	.	.			trans	-56.1	144.8	161	-118.7	0	0	0	0	111.4	E566	E566-S591 WeakPolarHBondContact OE1-CB 3.35Å; E566-S591 PolarHBondContact OE1-OG 3.04Å; E566-S591 WeakPolarHBondContact OE2-CB 3.35Å; E566-S591 PolarHBondContact OE2-N 3.2Å
592	G	76.1	Confident	86.3	Confident	29 Å²	29	58.5 Å²	58.5	30%	0.299	36%	0.36	S	S	.	.			trans	-72.9	144.3	165.5	0	0	0	0	0	110.9	S594 E814	G592-S594 PolarHBondContact O-N 2.83Å; G592-E814 WeakPolarHBondContact CA-OE1 3.37Å
593	R	83.4	Confident	86.4	Confident	69 Å²	69	55.5 Å²	55.5	26%	0.26	34%	0.344	S	S	.	.			trans	-87.3	104.1	-179.4	-178.8	61.5	176.3	-104.9	-2.5	110	Y595 E814 R816 D861 M863 F877	R593-Y595 HydrophobicContact CG-CD1 4.01Å; R593-Y595 HydrophobicContact CG-CE1 3.5Å; R593-E814 PolarHBondContact N-OE1 2.99Å; R593-R816 PolarHBondContact O-NH1 2.86Å; R593-R816 PolarHBondContact O-NH2 2.86Å; R593-D861 PolarHBondContact NH1-O 3Å; R593-M863 PolarHBondContact NH1-SD 3.37Å; R593-M863 PolarHBondContact NH2-SD 3.34Å; R593-F877 PolarHBondContact NH2-OXT 2.96Å
594	S	84.4	Confident	86.5	Confident	76 Å²	76	57.2 Å²	57.2	53%	0.531	36%	0.356	S	S	.	.			trans	-71.4	133.4	166.2	-174.4	0	0	0	0	110.5	G592 I596	G592-S594 PolarHBondContact O-N 2.83Å; S594-I596 PolarHBondContact OG-N 2.81Å
595	Y	87.8	Confident	86.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.008	34%	0.341	C	S	.	.			trans	-102.4	2.2	167.4	-57.4	-56.4	0	0	0	112.9	R593 G597 I598 D812 I818 I829 L837 G862 I864	R593-Y595 HydrophobicContact CG-CD1 4.01Å; R593-Y595 HydrophobicContact CG-CE1 3.5Å; Y595-G597 PolarHBondContact O-N 2.84Å; Y595-I598 HydrophobicContact CD1-CD1 3.85Å; Y595-I598 HydrophobicContact CE1-CD1 4.48Å; Y595-I598 WeakPolarHBondContact O-CB 3.42Å; Y595-I598 WeakPolarHBondContact O-CG2 3.33Å; Y595-I598 PolarHBondContact O-N 3.06Å; Y595-D812 WeakPolarHBondContact CE2-OD2 3.36Å; Y595-D812 PolarHBondContact OH-OD2 2.88Å; Y595-I818 HydrophobicContact CE2-CD1 4.06Å; Y595-I829 HydrophobicContact CD1-CD1 4.13Å; Y595-I829 HydrophobicContact CD2-CD1 3.47Å; Y595-I829 VanDerWaalsContact CD2-CD1 3.47Å; Y595-I829 HydrophobicContact CD2-CG2 3.93Å; Y595-I829 HydrophobicContact CE2-CD1 4.04Å; Y595-I829 HydrophobicContact CE2-CG2 4.27Å; Y595-I829 HydrophobicContact CG-CD1 3.51Å; Y595-L837 HydrophobicContact CD2-CD2 4.5Å; Y595-G862 WeakPolarHBondContact CE1-O 3.48Å; Y595-G862 PolarHBondContact OH-O 3.25Å; Y595-I864 HydrophobicContact CD1-CD1 4.07Å; Y595-I864 HydrophobicContact CE1-CD1 3.76Å; Y595-I864 HydrophobicContact CE1-CG1 3.91Å
596	I	78.8	Confident	86.6	Confident	134 Å²	134	55.5 Å²	55.5	69%	0.687	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	107.1	177.8	-57.3	176	0	0	0	107.8	S594 L837	S594-I596 PolarHBondContact OG-N 2.81Å; I596-L837 HydrophobicContact CG1-CD1 4.44Å
597	G	79.6	Confident	86.7	Confident	81 Å²	81	51.5 Å²	51.5	84%	0.835	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	103	3.3	-173.6	0	0	0	0	0	115.4	Y595	Y595-G597 PolarHBondContact O-N 2.84Å
598	I	84.6	Confident	86.9	Confident	30 Å²	30	57.5 Å²	57.5	15%	0.154	37%	0.368	C	S	.	.			trans	-62.5	142.3	172.2	-163.5	167.7	0	0	0	111.2	Y595 F840 I864 F877	Y595-I598 HydrophobicContact CD1-CD1 3.85Å; Y595-I598 HydrophobicContact CE1-CD1 4.48Å; Y595-I598 WeakPolarHBondContact O-CB 3.42Å; Y595-I598 WeakPolarHBondContact O-CG2 3.33Å; Y595-I598 PolarHBondContact O-N 3.06Å; I598-F840 HydrophobicContact CD1-CE1 4.06Å; I598-F840 HydrophobicContact CD1-CZ 4.21Å; I598-F840 HydrophobicContact CG1-CD1 4.46Å; I598-F840 HydrophobicContact CG1-CE1 4.44Å; I598-F840 HydrophobicContact CG2-CB 4.22Å; I598-F840 HydrophobicContact CG2-CD1 3.46Å; I598-F840 VanDerWaalsContact CG2-CD1 3.46Å; I598-F840 HydrophobicContact CG2-CE1 3.99Å; I598-F840 HydrophobicContact CG2-CG 3.98Å; I598-I864 HydrophobicContact CD1-CD1 3.79Å; I598-I864 HydrophobicContact CD1-CG1 4.32Å; I598-F877 HydrophobicContact CD1-CB 3.76Å; I598-F877 HydrophobicContact CG1-CB 3.95Å
599	G	72.1	Confident	87.3	Confident	24 Å²	24	54.5 Å²	54.5	25%	0.247	35%	0.354	C	S	.	.			trans	169.3	-20.7	173	0	0	0	0	0	117.7
600	L	84.5	Confident	87.5	Confident	130 Å²	130	60 Å²	60	68%	0.681	38%	0.383	S	S	*	.	S	Bend	trans	-98.8	132.2	170.6	-62.3	-179.7	0	0	0	109.7	F847	L600-F847 HydrophobicContact CB-CE1 4.17Å; L600-F847 HydrophobicContact CD2-CD1 4.16Å; L600-F847 HydrophobicContact CD2-CE1 4.1Å
601	P	87.1	Confident	88.1	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.032	39%	0.385	C	S	.	.			trans	-76.5	125.8	178.5	29.4	-31.3	0	0	0	109.8	L603 F847 L875 V876 F877	P601-L603 PolarHBondContact O-N 2.89Å; P601-F847 HydrophobicContact CG-CD2 4.15Å; P601-F847 HydrophobicContact CG-CE1 4.37Å; P601-F847 HydrophobicContact CG-CE2 3.84Å; P601-F847 HydrophobicContact CG-CZ 3.97Å; P601-F847 WeakPolarHBondContact O-CZ 3.48Å; P601-L875 HydrophobicContact CB-CB 4.46Å; P601-L875 HydrophobicContact CB-CD2 4.39Å; P601-L875 HydrophobicContact CG-CD2 4.41Å; P601-V876 CarbonylContact C-O 3.58Å; P601-V876 WeakPolarHBondContact CA-O 3.3Å; P601-V876 WeakPolarHBondContact CB-O 3.43Å; P601-F877 HydrophobicContact CB-CD1 3.96Å; P601-F877 HydrophobicContact CB-CE1 3.78Å; P601-F877 HydrophobicContact CB-CE2 4.39Å; P601-F877 HydrophobicContact CB-CG 4.35Å; P601-F877 HydrophobicContact CB-CZ 4.02Å; P601-F877 HydrophobicContact CG-CE1 4.15Å; P601-F877 HydrophobicContact CG-CZ 4.46Å
602	G	87.8	Confident	88.7	Confident	70 Å²	70	60.1 Å²	60.1	72%	0.722	39%	0.387	S	S	*	.	S	Bend	trans	-70.5	-20.5	174	0	0	0	0	0	113.3	V876	G602-V876 PolarHBondContact N-O 3.06Å
603	L	93.2	Very high	89.6	Confident	52 Å²	52	59.5 Å²	59.5	27%	0.272	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.3	178.5	172.6	67.4	0	0	0	110.6	P601 F605 V876	P601-L603 PolarHBondContact O-N 2.89Å; L603-F605 HydrophobicContact CD1-CD1 4.46Å; L603-F605 HydrophobicContact CD2-CD1 4.02Å; L603-F605 HydrophobicContact CD2-CE1 4.11Å; L603-F605 HydrophobicContact CG-CD1 3.96Å; L603-F605 HydrophobicContact CG-CE1 4.45Å; L603-V876 HydrophobicContact CB-CB 4.16Å; L603-V876 HydrophobicContact CB-CG2 4.36Å; L603-V876 HydrophobicContact CD2-CG2 4.21Å; L603-V876 HydrophobicContact CG-CG2 4.46Å; L603-V876 PolarHBondContact N-O 3.41Å; L603-V876 PolarHBondContact O-N 2.97Å
604	S	95.3	Very high	90.3	Very high	53 Å²	53	59.8 Å²	59.8	37%	0.371	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	130.8	173.1	174.2	0	0	0	0	109.3	I874 L875	S604-I874 WeakPolarHBondContact CA-O 3.33Å; S604-L875 WeakPolarHBondContact OG-CD2 3.5Å
605	F	96.7	Very high	90.9	Very high	21 Å²	21	56.2 Å²	56.2	9%	0.092	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	166.6	179.2	64.4	-87.1	0	0	0	112.2	L603 I629 F642 G646 R873 I874 V876	L603-F605 HydrophobicContact CD1-CD1 4.46Å; L603-F605 HydrophobicContact CD2-CD1 4.02Å; L603-F605 HydrophobicContact CD2-CE1 4.11Å; L603-F605 HydrophobicContact CG-CD1 3.96Å; L603-F605 HydrophobicContact CG-CE1 4.45Å; F605-I629 HydrophobicContact CE1-CD1 3.84Å; F605-I629 HydrophobicContact CZ-CB 4.36Å; F605-I629 HydrophobicContact CZ-CD1 3.75Å; F605-I629 HydrophobicContact CZ-CG2 4.18Å; F605-F642 AromaticContact CD2-CD1 3.65Å; F605-F642 HydrophobicContact CD2-CD1 3.65Å; F605-F642 AromaticContact CD2-CE1 3.75Å; F605-F642 HydrophobicContact CD2-CE1 3.75Å; F605-F642 HydrophobicContact CD2-CG 4.18Å; F605-F642 HydrophobicContact CD2-CZ 4.36Å; F605-F642 HydrophobicContact CE2-CB 3.96Å; F605-F642 AromaticContact CE2-CD1 3.46Å; F605-F642 HydrophobicContact CE2-CD1 3.46Å; F605-F642 VanDerWaalsContact CE2-CD1 3.46Å; F605-F642 AromaticContact CE2-CD2 3.84Å; F605-F642 HydrophobicContact CE2-CD2 3.84Å; F605-F642 AromaticContact CE2-CE1 3.8Å; F605-F642 HydrophobicContact CE2-CE1 3.8Å; F605-F642 HydrophobicContact CE2-CE2 4.16Å; F605-F642 AromaticContact CE2-CG 3.49Å; F605-F642 HydrophobicContact CE2-CG 3.49Å; F605-F642 VanDerWaalsContact CE2-CG 3.49Å; F605-F642 HydrophobicContact CE2-CZ 4.14Å; F605-F642 HydrophobicContact CZ-CB 4.26Å; F605-F642 HydrophobicContact CZ-CG 4.25Å; F605-G646 VanDerWaalsContact CD1-CA 3.5Å; F605-G646 WeakPolarHBondContact CD2-O 3.35Å; F605-G646 WeakPolarHBondContact CG-O 3.27Å; F605-R873 WeakPolarHBondContact O-CA 3.49Å; F605-R873 WeakPolarHBondContact O-CB 3.35Å; F605-I874 HydrophobicContact CD1-CB 4.2Å; F605-I874 HydrophobicContact CD1-CG2 4.49Å; F605-I874 HydrophobicContact CD2-CB 4.21Å; F605-I874 HydrophobicContact CD2-CG1 4.27Å; F605-I874 HydrophobicContact CE1-CB 3.81Å; F605-I874 HydrophobicContact CE1-CG2 3.7Å; F605-I874 HydrophobicContact CE2-CB 3.8Å; F605-I874 HydrophobicContact CE2-CG1 3.69Å; F605-I874 HydrophobicContact CE2-CG2 4.27Å; F605-I874 HydrophobicContact CG-CB 4.4Å; F605-I874 HydrophobicContact CZ-CB 3.6Å; F605-I874 HydrophobicContact CZ-CG1 3.88Å; F605-I874 HydrophobicContact CZ-CG2 3.57Å; F605-I874 PolarHBondContact N-O 2.72Å; F605-I874 PolarHBondContact O-N 2.81Å; F605-V876 HydrophobicContact CE1-CG2 4.21Å
606	G	94.7	Very high	91.4	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	37%	0.366	S	S	.	.			trans	86.4	158.5	-169.5	0	0	0	0	0	113.1	G613	G606-G613 WeakPolarHBondContact CA-O 3.42Å
607	S	94.7	Very high	92.3	Very high	56 Å²	56	57.5 Å²	57.5	39%	0.392	36%	0.358	S	S	.	.			trans	-162.9	166.7	174.7	55	0	0	0	0	108.8	G609 K614 L615 N872	S607-G609 PolarHBondContact O-N 2.95Å; S607-K614 CarbonylContact O-C 3.6Å; S607-K614 WeakPolarHBondContact O-CA 3.33Å; S607-K614 WeakPolarHBondContact O-CB 3.5Å; S607-L615 PolarHBondContact O-N 2.88Å; S607-N872 PolarHBondContact N-O 2.93Å
608	E	97.1	Very high	93.1	Very high	126 Å²	126	53.7 Å²	53.7	59%	0.589	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-64.7	126.5	-178.6	-171.4	155.6	-147.5	0	0	113	L615 N872	E608-L615 WeakPolarHBondContact CA-O 3.45Å; E608-N872 HydrophobicContact CB-CB 3.97Å; E608-N872 PolarHBondContact OE1-ND2 2.82Å; E608-N872 PolarHBondContact OE2-ND2 2.83Å
609	G	96.3	Very high	93.8	Very high	19 Å²	19	52.3 Å²	52.3	20%	0.196	31%	0.311	C	S	.	.	S	Bend	trans	153.7	-168.4	170.8	0	0	0	0	0	114.5	S607 K614 L615 N636	S607-G609 PolarHBondContact O-N 2.95Å; G609-K614 CarbonylContact O-C 3.56Å; G609-L615 PolarHBondContact N-O 2.9Å; G609-L615 VanDerWaalsContact N-O 3.1Å; G609-L615 CarbonylContact O-C 3.6Å; G609-N636 PolarHBondContact O-ND2 2.76Å
610	D	95.3	Very high	95	Very high	119 Å²	119	51.2 Å²	51.2	64%	0.636	30%	0.299	S	S	*	.	S	Bend	trans	-114.7	-17.3	-170.6	65.6	-29.4	0	0	0	113.9	R638	D610-R638 VanDerWaalsContact O-CZ 3.3Å; D610-R638 PolarHBondContact O-NH1 3Å; D610-R638 PolarHBondContact O-NH2 2.98Å; D610-R638 VanDerWaalsContact O-NH2 3.12Å
611	S	96.6	Very high	95.6	Very high	54 Å²	54	45.5 Å²	45.5	38%	0.378	27%	0.27	S	S	.	.	S	Bend	trans	-64.2	172.5	174.7	75.1	0	0	0	0	112.5	K614 R638	S611-K614 WeakPolarHBondContact O-CB 3.48Å; S611-K614 PolarHBondContact O-N 3.25Å; S611-K614 WeakPolarHBondContact OG-CD 3.29Å; S611-K614 WeakPolarHBondContact OG-CE 3.5Å; S611-K614 VanDerWaalsContact OG-CG 3.29Å; S611-K614 WeakPolarHBondContact OG-CG 3.21Å; S611-R638 PolarHBondContact O-NH2 3.11Å
612	D	97.3	Very high	96.1	Very high	85 Å²	85	46.2 Å²	46.2	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	139.1	177.3	-68.7	-2.7	0	0	0	111.1	K614 F648 K651	D612-K614 PolarHBondContact O-N 3.08Å; D612-K614 VanDerWaalsContact O-N 3.13Å; D612-F648 HydrophobicContact CB-CD1 3.92Å; D612-F648 HydrophobicContact CB-CD2 4.35Å; D612-F648 HydrophobicContact CB-CE1 3.71Å; D612-F648 HydrophobicContact CB-CE2 4.17Å; D612-F648 HydrophobicContact CB-CG 4.22Å; D612-F648 HydrophobicContact CB-CZ 3.84Å; D612-K651 WeakPolarHBondContact OD1-CD 3.34Å; D612-K651 VanDerWaalsContact OD1-CE 3.26Å; D612-K651 WeakPolarHBondContact OD1-CE 3.44Å; D612-K651 IonicContact OD1-NZ 3.83Å; D612-K651 PolarHBondContact OD1-NZ 3.25Å
613	G	94.9	Very high	96.6	Very high	15 Å²	15	43.8 Å²	43.8	16%	0.155	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-6.8	-175.1	0	0	0	0	0	115.6	G606	G606-G613 WeakPolarHBondContact CA-O 3.42Å
614	K	97.5	Very high	96.6	Very high	76 Å²	76	41.6 Å²	41.6	33%	0.33	24%	0.235	S	C	.	.			trans	-92.2	151.9	172.4	-66.4	-165.4	-178.8	-171.6	0	111.9	S607 G609 S611 D612 R638 Q640	S607-K614 CarbonylContact O-C 3.6Å; S607-K614 WeakPolarHBondContact O-CA 3.33Å; S607-K614 WeakPolarHBondContact O-CB 3.5Å; G609-K614 CarbonylContact O-C 3.56Å; S611-K614 WeakPolarHBondContact O-CB 3.48Å; S611-K614 PolarHBondContact O-N 3.25Å; S611-K614 WeakPolarHBondContact OG-CD 3.29Å; S611-K614 WeakPolarHBondContact OG-CE 3.5Å; S611-K614 VanDerWaalsContact OG-CG 3.29Å; S611-K614 WeakPolarHBondContact OG-CG 3.21Å; D612-K614 PolarHBondContact O-N 3.08Å; D612-K614 VanDerWaalsContact O-N 3.13Å; K614-R638 PolarHBondContact O-NH2 2.98Å; K614-Q640 PolarHBondContact O-NE2 3.01Å
615	L	97.6	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-126.4	150.1	-172.2	-58.9	169	0	0	0	110.1	S607 E608 G609 P618 V631 D633 F642 I874	S607-L615 PolarHBondContact O-N 2.88Å; E608-L615 WeakPolarHBondContact CA-O 3.45Å; G609-L615 PolarHBondContact N-O 2.9Å; G609-L615 VanDerWaalsContact N-O 3.1Å; G609-L615 CarbonylContact O-C 3.6Å; L615-P618 HydrophobicContact CB-CB 4.37Å; L615-P618 HydrophobicContact CB-CG 3.94Å; L615-P618 HydrophobicContact CD1-CG 4.12Å; L615-V631 HydrophobicContact CD2-CG1 3.94Å; L615-D633 WeakPolarHBondContact CA-OD1 3.33Å; L615-D633 HydrophobicContact CD2-CB 4.01Å; L615-F642 HydrophobicContact CD2-CZ 4.39Å; L615-I874 HydrophobicContact CD1-CD1 4.07Å; L615-I874 HydrophobicContact CD1-CG1 3.95Å
616	C	97.6	Very high	95.9	Very high	25 Å²	25	48.5 Å²	48.5	17%	0.169	26%	0.26	C	S	.	.	S	Bend	trans	-133	103.2	172.3	-169.4	0	0	0	0	111.5	D633 S635 N636	C616-D633 PolarHBondContact N-OD1 2.86Å; C616-S635 WeakPolarHBondContact O-CB 3.47Å; C616-S635 PolarHBondContact O-N 3.01Å; C616-S635 PolarHBondContact O-OG 3.3Å; C616-N636 WeakPolarHBondContact CB-OD1 3.39Å; C616-N636 PolarHBondContact N-ND2 3.42Å
617	R	96.8	Very high	95.8	Very high	139 Å²	139	47.7 Å²	47.7	53%	0.525	25%	0.251	S	S	.	.	S	Bend	trans	52	47.9	-178.1	-38.3	168.8	80.1	-178.1	9.5	112	R634 S635 F869 N872	R617-R634 PolarHBondContact O-NE 3.25Å; R617-R634 PolarHBondContact O-NH2 2.33Å; R617-S635 WeakPolarHBondContact CB-OG 3.41Å; R617-S635 WeakPolarHBondContact CD-OG 3.41Å; R617-F869 HydrophobicContact CB-CE2 3.8Å; R617-F869 HydrophobicContact CB-CZ 3.9Å; R617-N872 WeakPolarHBondContact CA-OD1 3.41Å; R617-N872 PolarHBondContact N-OD1 3.22Å
618	P	97.9	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.			trans	-59.4	157.5	-178.2	30.5	-38.3	0	0	0	110.6	L615 V631 A632 V867 F869	L615-P618 HydrophobicContact CB-CB 4.37Å; L615-P618 HydrophobicContact CB-CG 3.94Å; L615-P618 HydrophobicContact CD1-CG 4.12Å; P618-V631 HydrophobicContact CB-CG1 3.97Å; P618-A632 WeakPolarHBondContact CA-O 3.31Å; P618-V867 HydrophobicContact CB-CG1 3.95Å; P618-V867 HydrophobicContact CG-CG1 3.68Å; P618-F869 VanDerWaalsContact O-CD2 3.25Å; P618-F869 WeakPolarHBondContact O-CD2 3.25Å
619	W	98.1	Very high	96	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.008	21%	0.214	C	C	.	.			trans	-128.8	-66.2	176	-167.6	89.8	0	0	0	113.4	A632 W713 D714 R760 Q807 G855 V867	W619-A632 PolarHBondContact N-O 3.49Å; W619-W713 AromaticContact CD1-NE1 3.85Å; W619-W713 AromaticContact CD2-CD1 3.94Å; W619-W713 AromaticContact CD2-NE1 3.19Å; W619-W713 AromaticContact CE2-CD1 3.95Å; W619-W713 AromaticContact CE2-NE1 3.14Å; W619-W713 AromaticContact CE3-CD1 3.86Å; W619-W713 AromaticContact CE3-NE1 3.59Å; W619-W713 HydrophobicContact CG-CZ2 4.44Å; W619-W713 AromaticContact CG-NE1 3.7Å; W619-W713 AromaticContact CH2-CD1 3.94Å; W619-W713 AromaticContact CH2-NE1 3.97Å; W619-W713 AromaticContact CZ2-CD1 3.96Å; W619-W713 AromaticContact CZ2-NE1 3.56Å; W619-W713 AromaticContact CZ3-CD1 3.88Å; W619-W713 AromaticContact CZ3-NE1 3.97Å; W619-W713 AromaticContact NE1-NE1 3.48Å; W619-D714 HydrophobicContact CH2-CB 3.93Å; W619-D714 HydrophobicContact CZ3-CB 3.74Å; W619-D714 VanDerWaalsContact CZ3-CG 3.43Å; W619-D714 WeakPolarHBondContact CZ3-OD1 3.19Å; W619-R760 HydrophobicContact CH2-CG 4.49Å; W619-R760 HydrophobicContact CZ2-CG 3.84Å; W619-Q807 HydrophobicContact CZ2-CB 4.04Å; W619-G855 WeakPolarHBondContact O-CA 3.48Å; W619-G855 PolarHBondContact O-N 2.77Å; W619-V867 WeakPolarHBondContact O-CB 3.36Å; W619-V867 VanDerWaalsContact O-CG2 3.3Å; W619-V867 WeakPolarHBondContact O-CG2 3.36Å
620	G	97.2	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.			trans	-81.6	149.4	-175.4	0	0	0	0	0	113	A632 A666	G620-A632 PolarHBondContact O-N 2.97Å; G620-A666 VanDerWaalsContact CA-O 3.31Å; G620-A666 WeakPolarHBondContact CA-O 3.25Å; G620-A666 PolarHBondContact N-O 2.95Å
621	V	98.4	Very high	96.3	Very high	11 Å²	11	34.9 Å²	34.9	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.4	169.8	64.6	0	0	0	0	109.7	I629 I630 V631 A857 V865 V867	V621-I629 HydrophobicContact CG2-CG2 3.53Å; V621-I630 CarbonylContact C-O 3.57Å; V621-I630 VanDerWaalsContact CA-O 3.27Å; V621-I630 WeakPolarHBondContact CA-O 3.39Å; V621-V631 HydrophobicContact CG2-CG2 4.2Å; V621-A857 HydrophobicContact CG1-CB 4.05Å; V621-V865 HydrophobicContact CG1-CG1 4.45Å; V621-V865 HydrophobicContact CG2-CG1 3.78Å; V621-V867 HydrophobicContact CB-CG2 3.6Å; V621-V867 HydrophobicContact CG1-CG2 3.65Å
622	S	97.7	Very high	96.3	Very high	19 Å²	19	32.3 Å²	32.3	13%	0.133	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	162.9	170.2	-157.5	0	0	0	0	109.8	I630 V668 C670	S622-I630 PolarHBondContact N-O 2.72Å; S622-I630 PolarHBondContact O-N 2.84Å; S622-V668 WeakPolarHBondContact CB-O 3.41Å; S622-C670 PolarHBondContact OG-N 3.01Å
623	V	97	Very high	96.4	Very high	20 Å²	20	28.2 Å²	28.2	12%	0.121	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.8	175.5	-173.4	0	0	0	0	108.4	Y628 I629 A857 T859 V865	V623-Y628 VanDerWaalsContact CA-O 3.31Å; V623-Y628 WeakPolarHBondContact CA-O 3.33Å; V623-I629 HydrophobicContact CG2-CG1 4.39Å; V623-A857 HydrophobicContact CG2-CB 3.92Å; V623-T859 HydrophobicContact CG1-CG2 4.13Å; V623-T859 HydrophobicContact CG2-CG2 4.34Å; V623-V865 HydrophobicContact CG2-CB 4.37Å; V623-V865 HydrophobicContact CG2-CG2 3.83Å
624	D	93.8	Very high	96.5	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.027	13%	0.133	C	C	.	.			trans	-86.4	176.1	176.7	88.8	-11.1	0	0	0	113.2	E626 G627 Y628 I630 C670 R674 F691	D624-E626 PolarHBondContact O-N 2.81Å; D624-E626 VanDerWaalsContact O-N 3.12Å; D624-E626 WeakPolarHBondContact OD1-CA 3.35Å; D624-E626 PolarHBondContact OD1-N 3.16Å; D624-G627 PolarHBondContact O-N 3.22Å; D624-G627 PolarHBondContact OD1-N 2.94Å; D624-Y628 PolarHBondContact N-O 2.79Å; D624-Y628 PolarHBondContact OD1-N 2.73Å; D624-I630 HydrophobicContact CB-CD1 4.49Å; D624-C670 HydrophobicContact CB-CB 4.28Å; D624-C670 VanDerWaalsContact CB-SG 3.57Å; D624-R674 IonicContact OD2-CZ 2.76Å; D624-R674 IonicContact OD2-NE 2.74Å; D624-R674 PolarHBondContact OD2-NE 3.01Å; D624-R674 IonicContact OD2-NH2 3.19Å; D624-R674 PolarHBondContact OD2-NH2 2.75Å; D624-F691 WeakPolarHBondContact OD2-CE2 3.4Å
625	K	87.8	Confident	96.5	Very high	126 Å²	126	27 Å²	27	55%	0.548	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-12.7	-179.5	68.1	-171.8	177.3	-169.3	0	115.2	V672	K625-V672 PolarHBondContact NZ-O 2.91Å
626	E	89.5	Confident	96.5	Very high	94 Å²	94	28.7 Å²	28.7	44%	0.439	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	3	176.3	-74.9	160.9	-133.6	0	0	111.9	D624 Y628 P644 R674	D624-E626 PolarHBondContact O-N 2.81Å; D624-E626 VanDerWaalsContact O-N 3.12Å; D624-E626 WeakPolarHBondContact OD1-CA 3.35Å; D624-E626 PolarHBondContact OD1-N 3.16Å; E626-Y628 HydrophobicContact CB-CD2 3.75Å; E626-Y628 HydrophobicContact CB-CE2 3.87Å; E626-P644 WeakPolarHBondContact O-CG 3.44Å; E626-R674 VanDerWaalsContact CD-NH2 3.31Å; E626-R674 IonicContact OE1-CZ 3.29Å; E626-R674 IonicContact OE1-NE 2.68Å; E626-R674 IonicContact OE1-NH1 3.39Å; E626-R674 PolarHBondContact OE1-NH1 3.02Å; E626-R674 IonicContact OE1-NH2 2.97Å; E626-R674 IonicContact OE2-CZ 3.23Å; E626-R674 IonicContact OE2-NH1 2.63Å; E626-R674 PolarHBondContact OE2-NH1 3.21Å; E626-R674 IonicContact OE2-NH2 2.75Å; E626-R674 PolarHBondContact OE2-NH2 3.14Å
627	G	92.9	Very high	96.6	Very high	11 Å²	11	28.5 Å²	28.5	11%	0.113	14%	0.135	C	C	.	.			trans	85.5	8.7	178.6	0	0	0	0	0	114.9	D624 I629 P644	D624-G627 PolarHBondContact O-N 3.22Å; D624-G627 PolarHBondContact OD1-N 2.94Å; G627-I629 PolarHBondContact O-N 2.82Å; G627-P644 WeakPolarHBondContact O-CA 3.47Å
628	Y	97.4	Very high	96.6	Very high	47 Å²	47	22.7 Å²	22.7	18%	0.184	11%	0.114	C	C	.	.			trans	-69.1	131.3	176.5	-73.9	-97.2	0	0	0	110.6	V623 D624 E626 V641 F642 K643 H649 R674 F691	V623-Y628 VanDerWaalsContact CA-O 3.31Å; V623-Y628 WeakPolarHBondContact CA-O 3.33Å; D624-Y628 PolarHBondContact N-O 2.79Å; D624-Y628 PolarHBondContact OD1-N 2.73Å; E626-Y628 HydrophobicContact CB-CD2 3.75Å; E626-Y628 HydrophobicContact CB-CE2 3.87Å; Y628-V641 HydrophobicContact CD1-CG1 4.24Å; Y628-F642 CarbonylContact C-O 3.59Å; Y628-F642 WeakPolarHBondContact CA-O 3.48Å; Y628-F642 WeakPolarHBondContact CD1-O 3.33Å; Y628-K643 HydrophobicContact CE1-CB 4.4Å; Y628-K643 HydrophobicContact CE1-CG 4.06Å; Y628-H649 AromaticContact CE1-CD2 3.67Å; Y628-R674 VanDerWaalsContact CD2-NH2 3.3Å; Y628-F691 AromaticContact CD1-CZ 3.89Å; Y628-F691 HydrophobicContact CD1-CZ 3.89Å; Y628-F691 HydrophobicContact CD2-CZ 4.1Å; Y628-F691 HydrophobicContact CE1-CZ 4.44Å; Y628-F691 HydrophobicContact CG-CE2 4.35Å; Y628-F691 AromaticContact CG-CZ 3.7Å; Y628-F691 HydrophobicContact CG-CZ 3.7Å
629	I	98.3	Very high	96.7	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.5	-176.6	-56.8	172.2	0	0	0	108.6	F605 V621 V623 G627 V631 F642 V865 V876	F605-I629 HydrophobicContact CE1-CD1 3.84Å; F605-I629 HydrophobicContact CZ-CB 4.36Å; F605-I629 HydrophobicContact CZ-CD1 3.75Å; F605-I629 HydrophobicContact CZ-CG2 4.18Å; V621-I629 HydrophobicContact CG2-CG2 3.53Å; V623-I629 HydrophobicContact CG2-CG1 4.39Å; G627-I629 PolarHBondContact O-N 2.82Å; I629-V631 HydrophobicContact CG2-CG2 4.08Å; I629-F642 HydrophobicContact CB-CB 4.39Å; I629-F642 PolarHBondContact N-O 3.05Å; I629-F642 PolarHBondContact O-N 2.87Å; I629-V865 HydrophobicContact CD1-CG1 4.25Å; I629-V865 HydrophobicContact CD1-CG2 4.17Å; I629-V865 HydrophobicContact CG1-CG2 4.43Å; I629-V865 HydrophobicContact CG2-CG1 3.89Å; I629-V876 HydrophobicContact CD1-CG2 4.16Å
630	I	98.6	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122	-176	-58.4	157.6	0	0	0	108	V621 S622 D624 I639 V641 V668 C670 I676 F691	V621-I630 CarbonylContact C-O 3.57Å; V621-I630 VanDerWaalsContact CA-O 3.27Å; V621-I630 WeakPolarHBondContact CA-O 3.39Å; S622-I630 PolarHBondContact N-O 2.72Å; S622-I630 PolarHBondContact O-N 2.84Å; D624-I630 HydrophobicContact CB-CD1 4.49Å; I630-I639 HydrophobicContact CG2-CG2 3.63Å; I630-V641 HydrophobicContact CG1-CG1 4.12Å; I630-V641 HydrophobicContact CG1-CG2 4.11Å; I630-V641 HydrophobicContact CG2-CG2 4.32Å; I630-V668 HydrophobicContact CG2-CG1 4.27Å; I630-V668 HydrophobicContact CG2-CG2 3.63Å; I630-V668 WeakPolarHBondContact O-CG1 3.14Å; I630-C670 HydrophobicContact CD1-CB 3.72Å; I630-I676 HydrophobicContact CD1-CD1 4.14Å; I630-I676 HydrophobicContact CD1-CG1 4.14Å; I630-I676 HydrophobicContact CG1-CD1 4.46Å; I630-I676 HydrophobicContact CG2-CD1 4.29Å; I630-I676 HydrophobicContact CG2-CG2 4.06Å; I630-F691 HydrophobicContact CD1-CE2 4.48Å
631	V	98.6	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.2	-171.5	-176.5	0	0	0	0	111.3	L615 P618 V621 I629 D633 I639 Q640 F642 I874	L615-V631 HydrophobicContact CD2-CG1 3.94Å; P618-V631 HydrophobicContact CB-CG1 3.97Å; V621-V631 HydrophobicContact CG2-CG2 4.2Å; I629-V631 HydrophobicContact CG2-CG2 4.08Å; V631-D633 PolarHBondContact O-N 3.37Å; V631-I639 WeakPolarHBondContact O-CA 3.14Å; V631-Q640 PolarHBondContact N-O 3.44Å; V631-Q640 PolarHBondContact O-N 3.33Å; V631-F642 HydrophobicContact CB-CE2 4.25Å; V631-F642 HydrophobicContact CG2-CD2 4.04Å; V631-F642 HydrophobicContact CG2-CE2 3.9Å; V631-I874 HydrophobicContact CG1-CD1 4.06Å; V631-I874 HydrophobicContact CG2-CD1 3.81Å; V631-I874 HydrophobicContact CG2-CG1 4.08Å
632	A	98.4	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	95.9	170.4	0	0	0	0	0	110.4	P618 W619 G620 R634 I639 A666 V668	P618-A632 WeakPolarHBondContact CA-O 3.31Å; W619-A632 PolarHBondContact N-O 3.49Å; G620-A632 PolarHBondContact O-N 2.97Å; A632-R634 VanDerWaalsContact C-N 3.28Å; A632-R634 PolarHBondContact O-N 3.21Å; A632-I639 HydrophobicContact CB-CD1 4.12Å; A632-A666 WeakPolarHBondContact CB-O 3.48Å; A632-V668 HydrophobicContact CB-CB 4.34Å; A632-V668 HydrophobicContact CB-CG1 4.14Å
633	D	98.1	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	72.4	-175.1	-174	12.8	0	0	0	110.8	L615 C616 V631 S635 N636 N637 R638 Q640	L615-D633 WeakPolarHBondContact CA-OD1 3.33Å; L615-D633 HydrophobicContact CD2-CB 4.01Å; C616-D633 PolarHBondContact N-OD1 2.86Å; V631-D633 PolarHBondContact O-N 3.37Å; D633-S635 PolarHBondContact O-N 2.86Å; D633-N636 VanDerWaalsContact CG-ND2 3.34Å; D633-N636 CarbonylContact O-C 3.58Å; D633-N636 PolarHBondContact O-N 2.87Å; D633-N636 VanDerWaalsContact O-N 3.16Å; D633-N636 PolarHBondContact OD1-ND2 2.74Å; D633-N636 WeakPolarHBondContact OD2-CB 3.36Å; D633-N636 PolarHBondContact OD2-ND2 3.24Å; D633-N637 PolarHBondContact O-N 2.92Å; D633-R638 HydrophobicContact CB-CG 3.88Å; D633-R638 PolarHBondContact N-O 2.66Å; D633-R638 IonicContact OD2-CZ 3.65Å; D633-R638 IonicContact OD2-NE 3.73Å; D633-R638 PolarHBondContact OD2-NE 2.98Å; D633-R638 IonicContact OD2-NH2 2.74Å; D633-R638 PolarHBondContact OD2-NH2 2.9Å; D633-Q640 PolarHBondContact OD2-NE2 3.09Å
634	R	97.8	Very high	96.6	Very high	28 Å²	28	27.7 Å²	27.7	11%	0.106	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-54.6	-47.1	-158	-171.6	177.5	66	-178.2	2.2	115.4	R617 A632 N637 R664 P665	R617-R634 PolarHBondContact O-NE 3.25Å; R617-R634 PolarHBondContact O-NH2 2.33Å; A632-R634 VanDerWaalsContact C-N 3.28Å; A632-R634 PolarHBondContact O-N 3.21Å; R634-N637 PolarHBondContact O-N 3.43Å; R634-N637 PolarHBondContact O-OD1 2.65Å; R634-R664 HydrophobicContact CG-CB 3.74Å; R634-R664 WeakPolarHBondContact O-CA 3.39Å; R634-P665 WeakPolarHBondContact CA-O 3.44Å; R634-P665 VanDerWaalsContact CB-O 3.29Å; R634-P665 WeakPolarHBondContact CB-O 3.31Å; R634-P665 VanDerWaalsContact CG-O 3.29Å; R634-P665 WeakPolarHBondContact CG-O 3.44Å
635	S	97.4	Very high	96.6	Very high	38 Å²	38	31.1 Å²	31.1	27%	0.266	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-81.1	-20.9	-175.6	-39.2	0	0	0	0	112.8	C616 R617 D633 N637	C616-S635 WeakPolarHBondContact O-CB 3.47Å; C616-S635 PolarHBondContact O-N 3.01Å; C616-S635 PolarHBondContact O-OG 3.3Å; R617-S635 WeakPolarHBondContact CB-OG 3.41Å; R617-S635 WeakPolarHBondContact CD-OG 3.41Å; D633-S635 PolarHBondContact O-N 2.86Å; S635-N637 PolarHBondContact O-ND2 2.78Å; S635-N637 VanDerWaalsContact O-ND2 3.09Å
636	N	98	Very high	96.9	Very high	35 Å²	35	25.5 Å²	25.5	19%	0.187	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-82.5	-1.3	171.5	-67	-25.7	0	0	0	112.4	G609 C616 D633 R638	G609-N636 PolarHBondContact O-ND2 2.76Å; C616-N636 WeakPolarHBondContact CB-OD1 3.39Å; C616-N636 PolarHBondContact N-ND2 3.42Å; D633-N636 VanDerWaalsContact CG-ND2 3.34Å; D633-N636 CarbonylContact O-C 3.58Å; D633-N636 PolarHBondContact O-N 2.87Å; D633-N636 VanDerWaalsContact O-N 3.16Å; D633-N636 PolarHBondContact OD1-ND2 2.74Å; D633-N636 WeakPolarHBondContact OD2-CB 3.36Å; D633-N636 PolarHBondContact OD2-ND2 3.24Å; N636-R638 VanDerWaalsContact C-N 3.31Å; N636-R638 HydrophobicContact CB-CG 3.91Å; N636-R638 PolarHBondContact ND2-NH2 3.23Å; N636-R638 PolarHBondContact O-N 2.89Å
637	N	98.3	Very high	97.3	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	42.6	176.3	-55.3	-73.3	0	0	0	113.8	D633 R634 S635 G653 T654 L655 R664	D633-N637 PolarHBondContact O-N 2.92Å; R634-N637 PolarHBondContact O-N 3.43Å; R634-N637 PolarHBondContact O-OD1 2.65Å; S635-N637 PolarHBondContact O-ND2 2.78Å; S635-N637 VanDerWaalsContact O-ND2 3.09Å; N637-G653 CarbonylContact O-C 3.46Å; N637-T654 CarbonylContact O-C 3.32Å; N637-T654 PolarHBondContact O-N 2.63Å; N637-L655 HydrophobicContact CB-CB 4.03Å; N637-L655 HydrophobicContact CB-CD1 4.4Å; N637-R664 PolarHBondContact OD1-N 2.68Å
638	R	98.2	Very high	97.5	Very high	17 Å²	17	26.8 Å²	26.8	6%	0.064	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.8	-174.9	68.8	-171.3	-177.1	-176	5.7	112.1	D610 S611 K614 D633 N636 Q640 F652	D610-R638 VanDerWaalsContact O-CZ 3.3Å; D610-R638 PolarHBondContact O-NH1 3Å; D610-R638 PolarHBondContact O-NH2 2.98Å; D610-R638 VanDerWaalsContact O-NH2 3.12Å; S611-R638 PolarHBondContact O-NH2 3.11Å; K614-R638 PolarHBondContact O-NH2 2.98Å; D633-R638 HydrophobicContact CB-CG 3.88Å; D633-R638 PolarHBondContact N-O 2.66Å; D633-R638 IonicContact OD2-CZ 3.65Å; D633-R638 IonicContact OD2-NE 3.73Å; D633-R638 PolarHBondContact OD2-NE 2.98Å; D633-R638 IonicContact OD2-NH2 2.74Å; D633-R638 PolarHBondContact OD2-NH2 2.9Å; N636-R638 VanDerWaalsContact C-N 3.31Å; N636-R638 HydrophobicContact CB-CG 3.91Å; N636-R638 PolarHBondContact ND2-NH2 3.23Å; N636-R638 PolarHBondContact O-N 2.89Å; R638-Q640 HydrophobicContact CG-CG 4.36Å; R638-Q640 VanDerWaalsContact NH2-NE2 3.11Å; R638-F652 WeakPolarHBondContact CA-O 3.3Å; R638-F652 WeakPolarHBondContact CB-O 3.21Å
639	I	98.7	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141	162.7	-55.3	-55.6	0	0	0	108	I630 V631 A632 K651 F652 F662 P665 V678	I630-I639 HydrophobicContact CG2-CG2 3.63Å; V631-I639 WeakPolarHBondContact O-CA 3.14Å; A632-I639 HydrophobicContact CB-CD1 4.12Å; I639-K651 VanDerWaalsContact O-CA 3.29Å; I639-K651 WeakPolarHBondContact O-CA 3.34Å; I639-F652 HydrophobicContact CB-CD1 4.37Å; I639-F652 HydrophobicContact CB-CD2 4.35Å; I639-F652 HydrophobicContact CB-CE1 3.94Å; I639-F652 HydrophobicContact CB-CE2 3.91Å; I639-F652 HydrophobicContact CB-CZ 3.7Å; I639-F652 HydrophobicContact CG1-CE2 3.9Å; I639-F652 HydrophobicContact CG1-CZ 4Å; I639-F652 HydrophobicContact CG2-CE1 3.9Å; I639-F652 HydrophobicContact CG2-CZ 3.81Å; I639-F652 PolarHBondContact N-O 3.44Å; I639-F652 PolarHBondContact O-N 2.92Å; I639-F662 HydrophobicContact CG1-CE2 3.97Å; I639-F662 HydrophobicContact CG1-CZ 4.03Å; I639-P665 HydrophobicContact CD1-CB 4.36Å; I639-V678 HydrophobicContact CD1-CG1 3.89Å; I639-V678 HydrophobicContact CD1-CG2 3.94Å; I639-V678 HydrophobicContact CG1-CG1 4.4Å; I639-V678 HydrophobicContact CG1-CG2 3.8Å
640	Q	98.6	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141	170.5	-70.8	-168	82.4	0	0	110.3	K614 V631 D633 R638 F642 F648 K651	K614-Q640 PolarHBondContact O-NE2 3.01Å; V631-Q640 PolarHBondContact N-O 3.44Å; V631-Q640 PolarHBondContact O-N 3.33Å; D633-Q640 PolarHBondContact OD2-NE2 3.09Å; R638-Q640 HydrophobicContact CG-CG 4.36Å; R638-Q640 VanDerWaalsContact NH2-NE2 3.11Å; Q640-F642 HydrophobicContact CB-CD2 4.42Å; Q640-F642 HydrophobicContact CB-CE2 3.64Å; Q640-F642 HydrophobicContact CB-CZ 4.15Å; Q640-F648 HydrophobicContact CG-CE2 4.31Å; Q640-F648 VanDerWaalsContact OE1-CE2 3.24Å; Q640-K651 HydrophobicContact CG-CB 3.88Å
641	V	98.4	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.7	177	-174	0	0	0	0	108.9	Y628 I630 H649 H650 F652 I676 F691	Y628-V641 HydrophobicContact CD1-CG1 4.24Å; I630-V641 HydrophobicContact CG1-CG1 4.12Å; I630-V641 HydrophobicContact CG1-CG2 4.11Å; I630-V641 HydrophobicContact CG2-CG2 4.32Å; V641-H649 WeakPolarHBondContact O-CA 3.3Å; V641-H649 VanDerWaalsContact O-CB 3.32Å; V641-H649 WeakPolarHBondContact O-CB 3.44Å; V641-H649 PolarHBondContact O-N 3.31Å; V641-H650 WeakPolarHBondContact CG2-CE1 3.43Å; V641-H650 PolarHBondContact N-O 3.21Å; V641-H650 PolarHBondContact O-N 2.88Å; V641-F652 HydrophobicContact CG2-CE1 4.47Å; V641-I676 HydrophobicContact CG2-CD1 4.24Å; V641-F691 HydrophobicContact CG1-CE2 4.15Å; V641-F691 HydrophobicContact CG1-CZ 3.88Å
642	F	98.4	Very high	97.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.8	-178.9	-60.5	-100.9	0	0	0	109.5	F605 L615 Y628 I629 V631 Q640 G646 T647 F648	F605-F642 AromaticContact CD2-CD1 3.65Å; F605-F642 HydrophobicContact CD2-CD1 3.65Å; F605-F642 AromaticContact CD2-CE1 3.75Å; F605-F642 HydrophobicContact CD2-CE1 3.75Å; F605-F642 HydrophobicContact CD2-CG 4.18Å; F605-F642 HydrophobicContact CD2-CZ 4.36Å; F605-F642 HydrophobicContact CE2-CB 3.96Å; F605-F642 AromaticContact CE2-CD1 3.46Å; F605-F642 HydrophobicContact CE2-CD1 3.46Å; F605-F642 VanDerWaalsContact CE2-CD1 3.46Å; F605-F642 AromaticContact CE2-CD2 3.84Å; F605-F642 HydrophobicContact CE2-CD2 3.84Å; F605-F642 AromaticContact CE2-CE1 3.8Å; F605-F642 HydrophobicContact CE2-CE1 3.8Å; F605-F642 HydrophobicContact CE2-CE2 4.16Å; F605-F642 AromaticContact CE2-CG 3.49Å; F605-F642 HydrophobicContact CE2-CG 3.49Å; F605-F642 VanDerWaalsContact CE2-CG 3.49Å; F605-F642 HydrophobicContact CE2-CZ 4.14Å; F605-F642 HydrophobicContact CZ-CB 4.26Å; F605-F642 HydrophobicContact CZ-CG 4.25Å; L615-F642 HydrophobicContact CD2-CZ 4.39Å; Y628-F642 CarbonylContact C-O 3.59Å; Y628-F642 WeakPolarHBondContact CA-O 3.48Å; Y628-F642 WeakPolarHBondContact CD1-O 3.33Å; I629-F642 HydrophobicContact CB-CB 4.39Å; I629-F642 PolarHBondContact N-O 3.05Å; I629-F642 PolarHBondContact O-N 2.87Å; V631-F642 HydrophobicContact CB-CE2 4.25Å; V631-F642 HydrophobicContact CG2-CD2 4.04Å; V631-F642 HydrophobicContact CG2-CE2 3.9Å; Q640-F642 HydrophobicContact CB-CD2 4.42Å; Q640-F642 HydrophobicContact CB-CE2 3.64Å; Q640-F642 HydrophobicContact CB-CZ 4.15Å; F642-G646 WeakPolarHBondContact CD1-O 3.45Å; F642-T647 CarbonylContact C-O 3.56Å; F642-T647 VanDerWaalsContact CA-O 3.27Å; F642-T647 WeakPolarHBondContact CA-O 3.49Å; F642-F648 HydrophobicContact CD1-CB 4.44Å; F642-F648 HydrophobicContact CE1-CB 4.45Å
643	K	96.8	Very high	97.5	Very high	87 Å²	87	36.6 Å²	36.6	38%	0.378	20%	0.198	S	C	.	.			trans	-65.5	161.7	171.8	-57.2	-170.3	-175.9	176.3	0	110	Y628 C645 G646 T647 H649	Y628-K643 HydrophobicContact CE1-CB 4.4Å; Y628-K643 HydrophobicContact CE1-CG 4.06Å; K643-C645 PolarHBondContact O-N 3.26Å; K643-G646 PolarHBondContact O-N 3.38Å; K643-T647 PolarHBondContact N-O 2.67Å; K643-H649 HydrophobicContact CG-CB 4.14Å
644	P	94.1	Very high	97.5	Very high	68 Å²	68	40.5 Å²	40.5	44%	0.442	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.6	176.3	-26.4	31.8	0	0	0	114.7	E626 G627 G646	E626-P644 WeakPolarHBondContact O-CG 3.44Å; G627-P644 WeakPolarHBondContact O-CA 3.47Å; P644-G646 VanDerWaalsContact C-N 3.31Å; P644-G646 PolarHBondContact O-N 2.83Å
645	C	94.1	Very high	97.5	Very high	77 Å²	77	44.3 Å²	44.3	52%	0.52	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	11.3	175.2	61	0	0	0	0	115.3	K643 T647	K643-C645 PolarHBondContact O-N 3.26Å; C645-T647 PolarHBondContact O-N 3.01Å; C645-T647 PolarHBondContact SG-OG1 2.85Å
646	G	94.5	Very high	97.5	Very high	9 Å²	9	43.5 Å²	43.5	9%	0.093	24%	0.241	C	C	.	.	S	Bend	trans	75.2	2.6	177.9	0	0	0	0	0	115.6	F605 F642 K643 P644	F605-G646 VanDerWaalsContact CD1-CA 3.5Å; F605-G646 WeakPolarHBondContact CD2-O 3.35Å; F605-G646 WeakPolarHBondContact CG-O 3.27Å; F642-G646 WeakPolarHBondContact CD1-O 3.45Å; K643-G646 PolarHBondContact O-N 3.38Å; P644-G646 VanDerWaalsContact C-N 3.31Å; P644-G646 PolarHBondContact O-N 2.83Å
647	T	97.2	Very high	97.5	Very high	71 Å²	71	45.6 Å²	45.6	44%	0.436	26%	0.259	S	S	.	.			trans	-75.7	140.5	173.2	54.5	0	0	0	0	110.8	F642 K643 C645 H649	F642-T647 CarbonylContact C-O 3.56Å; F642-T647 VanDerWaalsContact CA-O 3.27Å; F642-T647 WeakPolarHBondContact CA-O 3.49Å; K643-T647 PolarHBondContact N-O 2.67Å; C645-T647 PolarHBondContact O-N 3.01Å; C645-T647 PolarHBondContact SG-OG1 2.85Å; T647-H649 PolarHBondContact O-N 3.19Å
648	F	98	Very high	97.4	Very high	61 Å²	61	53.4 Å²	53.4	27%	0.268	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	136.2	175.8	176.6	-103.3	0	0	0	111	D612 Q640 F642 H650 K651	D612-F648 HydrophobicContact CB-CD1 3.92Å; D612-F648 HydrophobicContact CB-CD2 4.35Å; D612-F648 HydrophobicContact CB-CE1 3.71Å; D612-F648 HydrophobicContact CB-CE2 4.17Å; D612-F648 HydrophobicContact CB-CG 4.22Å; D612-F648 HydrophobicContact CB-CZ 3.84Å; Q640-F648 HydrophobicContact CG-CE2 4.31Å; Q640-F648 VanDerWaalsContact OE1-CE2 3.24Å; F642-F648 HydrophobicContact CD1-CB 4.44Å; F642-F648 HydrophobicContact CE1-CB 4.45Å; F648-H650 WeakPolarHBondContact CE2-O 3.37Å; F648-H650 VanDerWaalsContact CZ-C 3.45Å; F648-K651 HydrophobicContact CE2-CB 4.02Å; F648-K651 HydrophobicContact CZ-CB 4.02Å; F648-K651 HydrophobicContact CZ-CD 4.28Å; F648-K651 HydrophobicContact CZ-CG 4.17Å
649	H	97.9	Very high	97.4	Very high	82 Å²	82	56 Å²	56	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-59.1	173.8	-173.4	-62.3	0	0	0	111.6	Y628 V641 K643 T647	Y628-H649 AromaticContact CE1-CD2 3.67Å; V641-H649 WeakPolarHBondContact O-CA 3.3Å; V641-H649 VanDerWaalsContact O-CB 3.32Å; V641-H649 WeakPolarHBondContact O-CB 3.44Å; V641-H649 PolarHBondContact O-N 3.31Å; K643-H649 HydrophobicContact CG-CB 4.14Å; T647-H649 PolarHBondContact O-N 3.19Å
650	H	98.4	Very high	97.3	Very high	33 Å²	33	57.1 Å²	57.1	15%	0.153	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	171	179.5	77	-91	0	0	0	111.6	V641 F648 F652 F691	V641-H650 WeakPolarHBondContact CG2-CE1 3.43Å; V641-H650 PolarHBondContact N-O 3.21Å; V641-H650 PolarHBondContact O-N 2.88Å; F648-H650 WeakPolarHBondContact CE2-O 3.37Å; F648-H650 VanDerWaalsContact CZ-C 3.45Å; H650-F652 AromaticContact CD2-CD1 3.96Å; H650-F652 AromaticContact NE2-CD1 3.7Å; H650-F652 AromaticContact NE2-CE1 3.88Å; H650-F691 PolarHBondContact CE1-O 2.96Å; H650-F691 PolarHBondContact NE2-O 3Å; H650-F691 VanDerWaalsContact NE2-O 3.14Å
651	K	98.2	Very high	97.3	Very high	94 Å²	94	59.2 Å²	59.2	41%	0.409	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.7	175.2	71.2	-172.4	-178.2	-172	0	111	D612 I639 Q640 F648	D612-K651 WeakPolarHBondContact OD1-CD 3.34Å; D612-K651 VanDerWaalsContact OD1-CE 3.26Å; D612-K651 WeakPolarHBondContact OD1-CE 3.44Å; D612-K651 IonicContact OD1-NZ 3.83Å; D612-K651 PolarHBondContact OD1-NZ 3.25Å; I639-K651 VanDerWaalsContact O-CA 3.29Å; I639-K651 WeakPolarHBondContact O-CA 3.34Å; Q640-K651 HydrophobicContact CG-CB 3.88Å; F648-K651 HydrophobicContact CE2-CB 4.02Å; F648-K651 HydrophobicContact CZ-CB 4.02Å; F648-K651 HydrophobicContact CZ-CD 4.28Å; F648-K651 HydrophobicContact CZ-CG 4.17Å
652	F	98.5	Very high	97.3	Very high	22 Å²	22	59.2 Å²	59.2	10%	0.096	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.9	170.9	61.2	-89.4	0	0	0	111.5	R638 I639 V641 H650 F662 I676 F689 G693	R638-F652 WeakPolarHBondContact CA-O 3.3Å; R638-F652 WeakPolarHBondContact CB-O 3.21Å; I639-F652 HydrophobicContact CB-CD1 4.37Å; I639-F652 HydrophobicContact CB-CD2 4.35Å; I639-F652 HydrophobicContact CB-CE1 3.94Å; I639-F652 HydrophobicContact CB-CE2 3.91Å; I639-F652 HydrophobicContact CB-CZ 3.7Å; I639-F652 HydrophobicContact CG1-CE2 3.9Å; I639-F652 HydrophobicContact CG1-CZ 4Å; I639-F652 HydrophobicContact CG2-CE1 3.9Å; I639-F652 HydrophobicContact CG2-CZ 3.81Å; I639-F652 PolarHBondContact N-O 3.44Å; I639-F652 PolarHBondContact O-N 2.92Å; V641-F652 HydrophobicContact CG2-CE1 4.47Å; H650-F652 AromaticContact CD2-CD1 3.96Å; H650-F652 AromaticContact NE2-CD1 3.7Å; H650-F652 AromaticContact NE2-CE1 3.88Å; F652-F662 HydrophobicContact CD2-CE2 4.26Å; F652-F662 HydrophobicContact CD2-CZ 4.32Å; F652-F662 HydrophobicContact CE2-CE2 4.43Å; F652-F662 HydrophobicContact CE2-CZ 4.13Å; F652-I676 HydrophobicContact CE1-CD1 3.88Å; F652-I676 HydrophobicContact CZ-CB 4.37Å; F652-I676 HydrophobicContact CZ-CD1 3.94Å; F652-I676 HydrophobicContact CZ-CG2 4.17Å; F652-F689 HydrophobicContact CD2-CD1 4.25Å; F652-F689 HydrophobicContact CD2-CE1 4.41Å; F652-F689 HydrophobicContact CD2-CG 4.43Å; F652-F689 HydrophobicContact CE2-CB 4.2Å; F652-F689 AromaticContact CE2-CD1 3.96Å; F652-F689 HydrophobicContact CE2-CD1 3.96Å; F652-F689 AromaticContact CE2-CD2 3.79Å; F652-F689 HydrophobicContact CE2-CD2 3.79Å; F652-F689 HydrophobicContact CE2-CE1 4.31Å; F652-F689 HydrophobicContact CE2-CE2 4.15Å; F652-F689 AromaticContact CE2-CG 3.7Å; F652-F689 HydrophobicContact CE2-CG 3.7Å; F652-F689 HydrophobicContact CE2-CZ 4.41Å; F652-F689 HydrophobicContact CZ-CB 4.33Å; F652-F689 HydrophobicContact CZ-CD2 4.43Å; F652-F689 HydrophobicContact CZ-CG 4.29Å; F652-G693 VanDerWaalsContact CD1-CA 3.43Å; F652-G693 VanDerWaalsContact CG-CA 3.5Å
653	G	97.6	Very high	97.3	Very high	24 Å²	24	61.3 Å²	61.3	25%	0.247	34%	0.338	C	S	.	.			trans	99.5	150.7	-174.8	0	0	0	0	0	114.3	N637	N637-G653 CarbonylContact O-C 3.46Å
654	T	97.8	Very high	97.3	Very high	82 Å²	82	63 Å²	63	50%	0.503	34%	0.343	S	S	.	.			trans	-144.8	163.5	172.1	52.3	0	0	0	0	109	N637 G656 Q661 F662	N637-T654 CarbonylContact O-C 3.32Å; N637-T654 PolarHBondContact O-N 2.63Å; T654-G656 PolarHBondContact O-N 3.29Å; T654-Q661 CarbonylContact O-C 3.58Å; T654-Q661 VanDerWaalsContact O-CA 3.3Å; T654-Q661 WeakPolarHBondContact O-CA 3.46Å; T654-Q661 WeakPolarHBondContact O-CB 3.42Å; T654-Q661 PolarHBondContact OG1-NE2 3.31Å; T654-F662 PolarHBondContact O-N 3.08Å
655	L	98.3	Very high	97.5	Very high	109 Å²	109	59.8 Å²	59.8	57%	0.571	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-60	125.6	175.1	177.8	61.7	0	0	0	111.4	N637 Q661 F662 D663	N637-L655 HydrophobicContact CB-CB 4.03Å; N637-L655 HydrophobicContact CB-CD1 4.4Å; L655-Q661 PolarHBondContact O-NE2 3.13Å; L655-F662 CarbonylContact C-O 3.45Å; L655-F662 WeakPolarHBondContact CA-O 3.36Å; L655-D663 HydrophobicContact CD1-CB 4.34Å
656	G	97.4	Very high	97.7	Very high	20 Å²	20	56.1 Å²	56.1	21%	0.206	30%	0.297	C	S	.	.	S	Bend	trans	153.2	-173.9	171.9	0	0	0	0	0	114.2	T654 Q661 F662 N683	T654-G656 PolarHBondContact O-N 3.29Å; G656-Q661 VanDerWaalsContact C-CB 3.46Å; G656-Q661 CarbonylContact O-C 3.57Å; G656-Q661 WeakPolarHBondContact O-CB 3.39Å; G656-F662 PolarHBondContact N-O 3.45Å; G656-F662 CarbonylContact O-C 3.42Å; G656-F662 VanDerWaalsContact O-C 3.31Å; G656-F662 PolarHBondContact O-N 2.87Å; G656-N683 PolarHBondContact O-ND2 2.88Å
657	S	97.3	Very high	97.8	Very high	80 Å²	80	55.7 Å²	55.7	56%	0.559	29%	0.292	S	S	*	.	S	Bend	trans	-116.1	2.1	-172.2	61	0	0	0	0	114.6	N683 R685	S657-N683 WeakPolarHBondContact CA-OD1 3.28Å; S657-N683 VanDerWaalsContact CB-OD1 3.25Å; S657-N683 WeakPolarHBondContact CB-OD1 3.49Å; S657-R685 PolarHBondContact O-NH1 2.9Å; S657-R685 PolarHBondContact O-NH2 3.17Å
658	R	97.9	Very high	97.9	Very high	183 Å²	183	52.5 Å²	52.5	69%	0.691	27%	0.273	S	S	*	.	S	Bend	trans	-71.6	163.9	172	-60.9	177.7	-179.5	-92.7	-1.2	110.8	G660 Q661 R685	R658-G660 PolarHBondContact O-N 2.92Å; R658-Q661 HydrophobicContact CB-CG 4.07Å; R658-Q661 VanDerWaalsContact CB-OE1 3.29Å; R658-Q661 WeakPolarHBondContact O-CB 3.32Å; R658-Q661 PolarHBondContact O-N 2.87Å; R658-Q661 VanDerWaalsContact O-N 3.09Å; R658-R685 PolarHBondContact O-NH2 3.38Å
659	P	97.8	Very high	97.9	Very high	72 Å²	72	49.9 Å²	49.9	47%	0.468	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	135.5	166	-25.1	36	0	0	0	110.8	Q661 F695	P659-Q661 PolarHBondContact O-N 2.82Å; P659-F695 HydrophobicContact CB-CD1 4Å; P659-F695 HydrophobicContact CB-CD2 3.94Å; P659-F695 HydrophobicContact CB-CE1 3.88Å; P659-F695 HydrophobicContact CB-CE2 3.82Å; P659-F695 HydrophobicContact CB-CG 4.02Å; P659-F695 HydrophobicContact CB-CZ 3.78Å; P659-F695 HydrophobicContact CG-CZ 4.48Å
660	G	95.8	Very high	97.8	Very high	23 Å²	23	46.9 Å²	46.9	24%	0.237	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	5.1	-175.7	0	0	0	0	0	115.9	R658	R658-G660 PolarHBondContact O-N 2.92Å
661	Q	98.4	Very high	97.5	Very high	45 Å²	45	46 Å²	46	21%	0.21	25%	0.246	C	C	.	.			trans	-106.6	158	164	-58.5	-167	-63	0	0	110.2	T654 L655 G656 R658 P659 R685 Q687	T654-Q661 CarbonylContact O-C 3.58Å; T654-Q661 VanDerWaalsContact O-CA 3.3Å; T654-Q661 WeakPolarHBondContact O-CA 3.46Å; T654-Q661 WeakPolarHBondContact O-CB 3.42Å; T654-Q661 PolarHBondContact OG1-NE2 3.31Å; L655-Q661 PolarHBondContact O-NE2 3.13Å; G656-Q661 VanDerWaalsContact C-CB 3.46Å; G656-Q661 CarbonylContact O-C 3.57Å; G656-Q661 WeakPolarHBondContact O-CB 3.39Å; R658-Q661 HydrophobicContact CB-CG 4.07Å; R658-Q661 VanDerWaalsContact CB-OE1 3.29Å; R658-Q661 WeakPolarHBondContact O-CB 3.32Å; R658-Q661 PolarHBondContact O-N 2.87Å; R658-Q661 VanDerWaalsContact O-N 3.09Å; P659-Q661 PolarHBondContact O-N 2.82Å; Q661-R685 PolarHBondContact O-NH2 2.84Å; Q661-Q687 PolarHBondContact O-NE2 3.44Å
662	F	98.6	Very high	97.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-132.8	158.1	-178.8	-53.4	-68.2	0	0	0	112	I639 F652 T654 L655 G656 P665 V678 D680 Q687 F689	I639-F662 HydrophobicContact CG1-CE2 3.97Å; I639-F662 HydrophobicContact CG1-CZ 4.03Å; F652-F662 HydrophobicContact CD2-CE2 4.26Å; F652-F662 HydrophobicContact CD2-CZ 4.32Å; F652-F662 HydrophobicContact CE2-CE2 4.43Å; F652-F662 HydrophobicContact CE2-CZ 4.13Å; T654-F662 PolarHBondContact O-N 3.08Å; L655-F662 CarbonylContact C-O 3.45Å; L655-F662 WeakPolarHBondContact CA-O 3.36Å; G656-F662 PolarHBondContact N-O 3.45Å; G656-F662 CarbonylContact O-C 3.42Å; G656-F662 VanDerWaalsContact O-C 3.31Å; G656-F662 PolarHBondContact O-N 2.87Å; F662-P665 HydrophobicContact CB-CB 4Å; F662-P665 HydrophobicContact CB-CG 3.72Å; F662-P665 HydrophobicContact CD1-CB 4.23Å; F662-P665 HydrophobicContact CD2-CG 4.25Å; F662-P665 HydrophobicContact CG-CB 4.05Å; F662-P665 HydrophobicContact CG-CG 4Å; F662-V678 HydrophobicContact CD1-CG1 4.06Å; F662-V678 HydrophobicContact CE1-CB 4Å; F662-V678 HydrophobicContact CE1-CG1 3.63Å; F662-V678 HydrophobicContact CE1-CG2 4.27Å; F662-V678 HydrophobicContact CZ-CB 4.46Å; F662-V678 HydrophobicContact CZ-CG1 4.18Å; F662-V678 HydrophobicContact CZ-CG2 4.22Å; F662-D680 VanDerWaalsContact CA-OD1 3.3Å; F662-D680 WeakPolarHBondContact CA-OD1 3.34Å; F662-D680 HydrophobicContact CD1-CB 4.09Å; F662-Q687 VanDerWaalsContact CD1-NE2 3.35Å; F662-Q687 HydrophobicContact CE1-CB 4.49Å; F662-F689 AromaticContact CE1-CE2 3.67Å; F662-F689 HydrophobicContact CE1-CE2 3.67Å; F662-F689 AromaticContact CE1-CZ 3.71Å; F662-F689 HydrophobicContact CE1-CZ 3.71Å; F662-F689 HydrophobicContact CZ-CE1 4.44Å; F662-F689 AromaticContact CZ-CE2 3.52Å; F662-F689 HydrophobicContact CZ-CE2 3.52Å; F662-F689 AromaticContact CZ-CZ 3.48Å; F662-F689 HydrophobicContact CZ-CZ 3.48Å; F662-F689 VanDerWaalsContact CZ-CZ 3.48Å
663	D	98.1	Very high	96.7	Very high	45 Å²	45	48.6 Å²	48.6	24%	0.241	28%	0.276	C	S	.	.	S	Bend	trans	-129.4	109.6	162.5	-170.5	-1.2	0	0	0	108.7	L655 D680 D682 N683	L655-D663 HydrophobicContact CD1-CB 4.34Å; D663-D680 PolarHBondContact N-OD1 3.39Å; D663-D682 HydrophobicContact CB-CB 3.94Å; D663-D682 WeakPolarHBondContact O-CB 3.09Å; D663-D682 PolarHBondContact O-N 3.46Å; D663-N683 PolarHBondContact N-ND2 2.95Å; D663-N683 VanDerWaalsContact N-ND2 3.1Å
664	R	97.4	Very high	96.5	Very high	124 Å²	124	49.7 Å²	49.7	47%	0.468	27%	0.272	S	S	.	.	S	Bend	trans	45.3	60	-172.8	-55.3	-163.3	-168.3	90	4	113.9	R634 N637 A666 K681 D682	R634-R664 HydrophobicContact CG-CB 3.74Å; R634-R664 WeakPolarHBondContact O-CA 3.39Å; N637-R664 PolarHBondContact OD1-N 2.68Å; R664-A666 PolarHBondContact O-N 3.48Å; R664-K681 WeakPolarHBondContact O-CB 3.27Å; R664-K681 WeakPolarHBondContact O-CE 3.49Å; R664-D682 WeakPolarHBondContact CB-OD2 3.43Å; R664-D682 VanDerWaalsContact CD-OD2 3.25Å; R664-D682 WeakPolarHBondContact CD-OD2 3.3Å; R664-D682 WeakPolarHBondContact CG-OD2 3.4Å; R664-D682 IonicContact CZ-OD2 3.83Å; R664-D682 IonicContact NE-OD2 2.68Å; R664-D682 IonicContact NH1-OD2 3.95Å; R664-D682 PolarHBondContact NH1-OD2 3.22Å
665	P	98.3	Very high	96.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.			trans	-57.7	126.7	177.1	27.3	-32.6	0	0	0	109.4	R634 I639 F662 V678 A679	R634-P665 WeakPolarHBondContact CA-O 3.44Å; R634-P665 VanDerWaalsContact CB-O 3.29Å; R634-P665 WeakPolarHBondContact CB-O 3.31Å; R634-P665 VanDerWaalsContact CG-O 3.29Å; R634-P665 WeakPolarHBondContact CG-O 3.44Å; I639-P665 HydrophobicContact CD1-CB 4.36Å; F662-P665 HydrophobicContact CB-CB 4Å; F662-P665 HydrophobicContact CB-CG 3.72Å; F662-P665 HydrophobicContact CD1-CB 4.23Å; F662-P665 HydrophobicContact CD2-CG 4.25Å; F662-P665 HydrophobicContact CG-CB 4.05Å; F662-P665 HydrophobicContact CG-CG 4Å; P665-V678 HydrophobicContact CB-CG1 3.82Å; P665-A679 WeakPolarHBondContact CA-O 3.47Å
666	A	97.7	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.			trans	-106.9	-64.1	-165.4	0	0	0	0	0	112.2	G620 A632 R664 A679 K681 W713	G620-A666 VanDerWaalsContact CA-O 3.31Å; G620-A666 WeakPolarHBondContact CA-O 3.25Å; G620-A666 PolarHBondContact N-O 2.95Å; A632-A666 WeakPolarHBondContact CB-O 3.48Å; R664-A666 PolarHBondContact O-N 3.48Å; A666-A679 PolarHBondContact N-O 2.91Å; A666-K681 HydrophobicContact CB-CB 4.02Å; A666-K681 HydrophobicContact CB-CD 3.87Å; A666-K681 HydrophobicContact CB-CG 4.47Å; A666-W713 CarbonylContact C-O 3.58Å; A666-W713 HydrophobicContact CB-CD2 4.47Å; A666-W713 HydrophobicContact CB-CG 4.3Å; A666-W713 WeakPolarHBondContact CB-O 3.39Å
667	G	97.6	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.			trans	-98.1	159.1	175.8	0	0	0	0	0	113.2	A679 W713 D714	G667-A679 PolarHBondContact O-N 2.8Å; G667-W713 WeakPolarHBondContact CA-O 3.39Å; G667-W713 PolarHBondContact N-O 2.85Å; G667-D714 WeakPolarHBondContact CA-OD1 3.45Å
668	V	98.5	Very high	96.6	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	141.6	176	63.6	0	0	0	0	110.1	S622 I630 A632 I676 V677 V678	S622-V668 WeakPolarHBondContact CB-O 3.41Å; I630-V668 HydrophobicContact CG2-CG1 4.27Å; I630-V668 HydrophobicContact CG2-CG2 3.63Å; I630-V668 WeakPolarHBondContact O-CG1 3.14Å; A632-V668 HydrophobicContact CB-CB 4.34Å; A632-V668 HydrophobicContact CB-CG1 4.14Å; V668-I676 HydrophobicContact CG2-CG2 3.49Å; V668-I676 VanDerWaalsContact CG2-CG2 3.49Å; V668-V677 CarbonylContact C-O 3.51Å; V668-V677 VanDerWaalsContact CA-O 3.31Å; V668-V677 WeakPolarHBondContact CA-O 3.33Å; V668-V678 HydrophobicContact CG2-CG2 4.28Å
669	A	98.1	Very high	96.6	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.3	174.5	0	0	0	0	0	110.9	I676 V677 V715 V717	A669-I676 WeakPolarHBondContact O-CA 3.47Å; A669-V677 PolarHBondContact N-O 2.97Å; A669-V677 PolarHBondContact O-N 3.29Å; A669-V715 HydrophobicContact CB-CG1 4.28Å; A669-V715 WeakPolarHBondContact CB-O 3.49Å; A669-V717 HydrophobicContact CB-CG2 3.87Å
670	C	96.3	Very high	96.7	Very high	19 Å²	19	26 Å²	26	13%	0.128	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.7	173.9	-162.6	0	0	0	0	109.6	S622 D624 I630 R675	S622-C670 PolarHBondContact OG-N 3.01Å; D624-C670 HydrophobicContact CB-CB 4.28Å; D624-C670 VanDerWaalsContact CB-SG 3.57Å; I630-C670 HydrophobicContact CD1-CB 3.72Å; C670-R675 WeakPolarHBondContact CA-O 3.45Å
671	D	92.4	Very high	96.8	Very high	14 Å²	14	25.6 Å²	25.6	8%	0.075	13%	0.13	C	C	.	.			trans	-96.3	175.2	178	82.4	0.4	0	0	0	113.4	S673 R674 R675 V717	D671-S673 PolarHBondContact O-N 2.97Å; D671-S673 VanDerWaalsContact O-N 3.12Å; D671-S673 VanDerWaalsContact OD1-C 3.24Å; D671-S673 VanDerWaalsContact OD1-CA 3.26Å; D671-S673 WeakPolarHBondContact OD1-CA 3.23Å; D671-S673 WeakPolarHBondContact OD1-CB 3.33Å; D671-S673 PolarHBondContact OD1-N 2.73Å; D671-R674 WeakPolarHBondContact O-CA 3.36Å; D671-R674 PolarHBondContact O-N 2.64Å; D671-R674 PolarHBondContact OD1-N 3.42Å; D671-R675 PolarHBondContact N-O 3.3Å; D671-R675 VanDerWaalsContact N-O 3.11Å; D671-R675 PolarHBondContact OD1-N 3.28Å; D671-R675 IonicContact OD2-CZ 2.97Å; D671-R675 IonicContact OD2-NE 3.26Å; D671-R675 PolarHBondContact OD2-NE 3.47Å; D671-R675 IonicContact OD2-NH2 3.37Å; D671-R675 PolarHBondContact OD2-NH2 2.95Å; D671-V717 HydrophobicContact CB-CB 4.41Å; D671-V717 HydrophobicContact CB-CG1 3.83Å
672	V	88.9	Confident	96.7	Very high	85 Å²	85	24.7 Å²	24.7	52%	0.515	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.3	179.4	-64.4	0	0	0	0	113.6	K625	K625-V672 PolarHBondContact NZ-O 2.91Å
673	S	90.6	Very high	96.7	Very high	86 Å²	86	26.3 Å²	26.3	60%	0.601	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	7	176.2	-62.6	0	0	0	0	113.3	D671 R675	D671-S673 PolarHBondContact O-N 2.97Å; D671-S673 VanDerWaalsContact O-N 3.12Å; D671-S673 VanDerWaalsContact OD1-C 3.24Å; D671-S673 VanDerWaalsContact OD1-CA 3.26Å; D671-S673 WeakPolarHBondContact OD1-CA 3.23Å; D671-S673 WeakPolarHBondContact OD1-CB 3.33Å; D671-S673 PolarHBondContact OD1-N 2.73Å; S673-R675 PolarHBondContact O-N 3.07Å
674	R	94.3	Very high	96.7	Very high	47 Å²	47	24.5 Å²	24.5	18%	0.177	13%	0.125	C	C	.	.			trans	62.9	20.6	-175.3	-48.3	178.6	77.5	166	16.4	114.6	D624 E626 Y628 D671 F691	D624-R674 IonicContact OD2-CZ 2.76Å; D624-R674 IonicContact OD2-NE 2.74Å; D624-R674 PolarHBondContact OD2-NE 3.01Å; D624-R674 IonicContact OD2-NH2 3.19Å; D624-R674 PolarHBondContact OD2-NH2 2.75Å; E626-R674 VanDerWaalsContact CD-NH2 3.31Å; E626-R674 IonicContact OE1-CZ 3.29Å; E626-R674 IonicContact OE1-NE 2.68Å; E626-R674 IonicContact OE1-NH1 3.39Å; E626-R674 PolarHBondContact OE1-NH1 3.02Å; E626-R674 IonicContact OE1-NH2 2.97Å; E626-R674 IonicContact OE2-CZ 3.23Å; E626-R674 IonicContact OE2-NH1 2.63Å; E626-R674 PolarHBondContact OE2-NH1 3.21Å; E626-R674 IonicContact OE2-NH2 2.75Å; E626-R674 PolarHBondContact OE2-NH2 3.14Å; Y628-R674 VanDerWaalsContact CD2-NH2 3.3Å; D671-R674 WeakPolarHBondContact O-CA 3.36Å; D671-R674 PolarHBondContact O-N 2.64Å; D671-R674 PolarHBondContact OD1-N 3.42Å; R674-F691 HydrophobicContact CB-CB 3.98Å; R674-F691 HydrophobicContact CB-CD2 4.16Å; R674-F691 HydrophobicContact CB-CG 4.33Å; R674-F691 WeakPolarHBondContact O-CA 3.37Å; R674-F691 WeakPolarHBondContact O-CB 3.4Å; R674-F691 PolarHBondContact O-N 2.84Å
675	R	96.5	Very high	96.7	Very high	50 Å²	50	19.3 Å²	19.3	19%	0.189	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-71.8	132.6	170.3	-60.7	-175.3	-60.7	154	9.5	109	C670 D671 S673 I688 F689 I696 P738	C670-R675 WeakPolarHBondContact CA-O 3.45Å; D671-R675 PolarHBondContact N-O 3.3Å; D671-R675 VanDerWaalsContact N-O 3.11Å; D671-R675 PolarHBondContact OD1-N 3.28Å; D671-R675 IonicContact OD2-CZ 2.97Å; D671-R675 IonicContact OD2-NE 3.26Å; D671-R675 PolarHBondContact OD2-NE 3.47Å; D671-R675 IonicContact OD2-NH2 3.37Å; D671-R675 PolarHBondContact OD2-NH2 2.95Å; S673-R675 PolarHBondContact O-N 3.07Å; R675-I688 HydrophobicContact CB-CG2 3.99Å; R675-F689 CarbonylContact C-O 3.49Å; R675-F689 WeakPolarHBondContact CA-O 3.35Å; R675-F689 WeakPolarHBondContact CB-O 3.36Å; R675-I696 HydrophobicContact CG-CD1 4.05Å; R675-P738 PolarHBondContact NH1-O 3.47Å
676	I	98.4	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.4	179.5	-55.7	178.1	0	0	0	108.5	I630 V641 F652 V668 A669 V678 I688 F689 F691	I630-I676 HydrophobicContact CD1-CD1 4.14Å; I630-I676 HydrophobicContact CD1-CG1 4.14Å; I630-I676 HydrophobicContact CG1-CD1 4.46Å; I630-I676 HydrophobicContact CG2-CD1 4.29Å; I630-I676 HydrophobicContact CG2-CG2 4.06Å; V641-I676 HydrophobicContact CG2-CD1 4.24Å; F652-I676 HydrophobicContact CE1-CD1 3.88Å; F652-I676 HydrophobicContact CZ-CB 4.37Å; F652-I676 HydrophobicContact CZ-CD1 3.94Å; F652-I676 HydrophobicContact CZ-CG2 4.17Å; V668-I676 HydrophobicContact CG2-CG2 3.49Å; V668-I676 VanDerWaalsContact CG2-CG2 3.49Å; A669-I676 WeakPolarHBondContact O-CA 3.47Å; I676-V678 HydrophobicContact CG2-CG2 4.09Å; I676-I688 CarbonylContact O-C 3.51Å; I676-I688 WeakPolarHBondContact O-CA 3.48Å; I676-F689 HydrophobicContact CB-CB 4.44Å; I676-F689 PolarHBondContact N-O 2.83Å; I676-F689 PolarHBondContact O-N 3.32Å; I676-F691 HydrophobicContact CD1-CD2 4.37Å; I676-F691 WeakPolarHBondContact CD1-O 3.35Å
677	V	98.6	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.9	177.6	-174.5	0	0	0	0	109	V668 A669 I686 I688 V715 V717 I723	V668-V677 CarbonylContact C-O 3.51Å; V668-V677 VanDerWaalsContact CA-O 3.31Å; V668-V677 WeakPolarHBondContact CA-O 3.33Å; A669-V677 PolarHBondContact N-O 2.97Å; A669-V677 PolarHBondContact O-N 3.29Å; V677-I686 HydrophobicContact CG1-CG2 3.52Å; V677-I688 HydrophobicContact CG1-CG1 4.32Å; V677-I688 HydrophobicContact CG2-CD1 4.33Å; V677-I688 HydrophobicContact CG2-CG1 4.15Å; V677-I688 HydrophobicContact CG2-CG2 4.22Å; V677-V715 HydrophobicContact CB-CG2 4.47Å; V677-V715 HydrophobicContact CG1-CG1 4.42Å; V677-V715 HydrophobicContact CG1-CG2 3.68Å; V677-V717 HydrophobicContact CB-CG2 4.23Å; V677-V717 HydrophobicContact CG2-CG2 3.83Å; V677-I723 HydrophobicContact CG1-CD1 4.3Å; V677-I723 HydrophobicContact CG1-CG2 4.01Å; V677-I723 HydrophobicContact CG2-CD1 4.42Å
678	V	98.8	Very high	96.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.2	-171.9	-178.6	0	0	0	0	111.3	I639 F662 P665 V668 I676 D680 I686 Q687 F689	I639-V678 HydrophobicContact CD1-CG1 3.89Å; I639-V678 HydrophobicContact CD1-CG2 3.94Å; I639-V678 HydrophobicContact CG1-CG1 4.4Å; I639-V678 HydrophobicContact CG1-CG2 3.8Å; F662-V678 HydrophobicContact CD1-CG1 4.06Å; F662-V678 HydrophobicContact CE1-CB 4Å; F662-V678 HydrophobicContact CE1-CG1 3.63Å; F662-V678 HydrophobicContact CE1-CG2 4.27Å; F662-V678 HydrophobicContact CZ-CB 4.46Å; F662-V678 HydrophobicContact CZ-CG1 4.18Å; F662-V678 HydrophobicContact CZ-CG2 4.22Å; P665-V678 HydrophobicContact CB-CG1 3.82Å; V668-V678 HydrophobicContact CG2-CG2 4.28Å; I676-V678 HydrophobicContact CG2-CG2 4.09Å; V678-D680 PolarHBondContact O-N 2.97Å; V678-I686 WeakPolarHBondContact O-CA 3.21Å; V678-Q687 PolarHBondContact N-O 2.8Å; V678-Q687 PolarHBondContact O-N 3.44Å; V678-Q687 VanDerWaalsContact O-N 3.09Å; V678-F689 HydrophobicContact CB-CE2 4.37Å; V678-F689 HydrophobicContact CG2-CD2 4.03Å; V678-F689 HydrophobicContact CG2-CE2 3.97Å
679	A	98.6	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	95.6	169.1	0	0	0	0	0	110.3	P665 A666 G667 K681 I686 W713 V715	P665-A679 WeakPolarHBondContact CA-O 3.47Å; A666-A679 PolarHBondContact N-O 2.91Å; G667-A679 PolarHBondContact O-N 2.8Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 2.87Å; A679-I686 HydrophobicContact CB-CD1 4.14Å; A679-W713 WeakPolarHBondContact CB-O 3.43Å; A679-V715 HydrophobicContact CB-CB 4.33Å; A679-V715 HydrophobicContact CB-CG1 4.15Å
680	D	98.4	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	77.1	-177.8	-172.8	7.9	0	0	0	109.8	F662 D663 V678 D682 N683 H684 R685 Q687	F662-D680 VanDerWaalsContact CA-OD1 3.3Å; F662-D680 WeakPolarHBondContact CA-OD1 3.34Å; F662-D680 HydrophobicContact CD1-CB 4.09Å; D663-D680 PolarHBondContact N-OD1 3.39Å; V678-D680 PolarHBondContact O-N 2.97Å; D680-D682 PolarHBondContact O-N 3.1Å; D680-N683 HydrophobicContact CB-CB 4.49Å; D680-N683 VanDerWaalsContact CG-ND2 3.34Å; D680-N683 CarbonylContact O-C 3.49Å; D680-N683 PolarHBondContact O-N 2.92Å; D680-N683 PolarHBondContact OD1-ND2 2.92Å; D680-N683 WeakPolarHBondContact OD2-CB 3.3Å; D680-N683 PolarHBondContact OD2-ND2 3.5Å; D680-H684 PolarHBondContact O-N 3.47Å; D680-H684 VanDerWaalsContact O-N 3.15Å; D680-R685 WeakPolarHBondContact CA-O 2.86Å; D680-R685 HydrophobicContact CB-CG 3.85Å; D680-R685 WeakPolarHBondContact CB-O 3.41Å; D680-R685 PolarHBondContact N-O 3.24Å; D680-R685 PolarHBondContact O-N 2.94Å; D680-R685 IonicContact OD2-CZ 3.62Å; D680-R685 VanDerWaalsContact OD2-CZ 3.26Å; D680-R685 IonicContact OD2-NE 2.68Å; D680-R685 PolarHBondContact OD2-NE 2.87Å; D680-R685 IonicContact OD2-NH2 3.48Å; D680-R685 PolarHBondContact OD2-NH2 2.89Å; D680-Q687 PolarHBondContact OD2-NE2 2.92Å
681	K	97.6	Very high	96.9	Very high	13 Å²	13	20.5 Å²	20.5	6%	0.057	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-51.8	-158.6	-177.8	-178.3	55.7	62.7	0	114.7	R664 A666 A679 H684 Y711 P712 W713	R664-K681 WeakPolarHBondContact O-CB 3.27Å; R664-K681 WeakPolarHBondContact O-CE 3.49Å; A666-K681 HydrophobicContact CB-CB 4.02Å; A666-K681 HydrophobicContact CB-CD 3.87Å; A666-K681 HydrophobicContact CB-CG 4.47Å; A679-K681 VanDerWaalsContact C-N 3.33Å; A679-K681 PolarHBondContact O-N 2.87Å; K681-H684 PolarHBondContact O-N 3.43Å; K681-H684 VanDerWaalsContact O-N 3.17Å; K681-Y711 HydrophobicContact CG-CD1 4.19Å; K681-P712 VanDerWaalsContact CA-O 3.31Å; K681-P712 WeakPolarHBondContact CA-O 3.25Å; K681-P712 VanDerWaalsContact CB-O 3.3Å; K681-P712 WeakPolarHBondContact CB-O 3.19Å; K681-P712 WeakPolarHBondContact CG-O 3.45Å; K681-W713 HydrophobicContact CD-CD2 3.98Å; K681-W713 HydrophobicContact CD-CE3 3.47Å; K681-W713 VanDerWaalsContact CD-CE3 3.47Å; K681-W713 HydrophobicContact CD-CZ3 3.84Å
682	D	97.5	Very high	97.1	Very high	26 Å²	26	25.3 Å²	25.3	14%	0.139	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.8	-173.9	-65.9	-18.2	0	0	0	112.1	D663 R664 D680 H684 Y711	D663-D682 HydrophobicContact CB-CB 3.94Å; D663-D682 WeakPolarHBondContact O-CB 3.09Å; D663-D682 PolarHBondContact O-N 3.46Å; R664-D682 WeakPolarHBondContact CB-OD2 3.43Å; R664-D682 VanDerWaalsContact CD-OD2 3.25Å; R664-D682 WeakPolarHBondContact CD-OD2 3.3Å; R664-D682 WeakPolarHBondContact CG-OD2 3.4Å; R664-D682 IonicContact CZ-OD2 3.83Å; R664-D682 IonicContact NE-OD2 2.68Å; R664-D682 IonicContact NH1-OD2 3.95Å; R664-D682 PolarHBondContact NH1-OD2 3.22Å; D680-D682 PolarHBondContact O-N 3.1Å; D682-H684 VanDerWaalsContact C-N 3.27Å; D682-H684 PolarHBondContact O-CD2 3.22Å; D682-H684 VanDerWaalsContact O-CD2 3.26Å; D682-Y711 WeakPolarHBondContact OD1-CD1 3.45Å; D682-Y711 WeakPolarHBondContact OD1-CE1 3.22Å
683	N	98.2	Very high	97.4	Very high	35 Å²	35	22 Å²	22	19%	0.187	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.2	161.8	-78.3	-52.3	0	0	0	113.9	G656 S657 D663 D680 R685	G656-N683 PolarHBondContact O-ND2 2.88Å; S657-N683 WeakPolarHBondContact CA-OD1 3.28Å; S657-N683 VanDerWaalsContact CB-OD1 3.25Å; S657-N683 WeakPolarHBondContact CB-OD1 3.49Å; D663-N683 PolarHBondContact N-ND2 2.95Å; D663-N683 VanDerWaalsContact N-ND2 3.1Å; D680-N683 HydrophobicContact CB-CB 4.49Å; D680-N683 VanDerWaalsContact CG-ND2 3.34Å; D680-N683 CarbonylContact O-C 3.49Å; D680-N683 PolarHBondContact O-N 2.92Å; D680-N683 PolarHBondContact OD1-ND2 2.92Å; D680-N683 WeakPolarHBondContact OD2-CB 3.3Å; D680-N683 PolarHBondContact OD2-ND2 3.5Å; N683-R685 HydrophobicContact CB-CG 3.96Å; N683-R685 PolarHBondContact O-N 3.24Å
684	H	98.3	Very high	97.8	Very high	7 Å²	7	24 Å²	24	3%	0.032	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	37.7	177.9	-67.1	-100.4	0	0	0	115.3	D680 K681 D682 E701 K702 F709 N710 Y711	D680-H684 PolarHBondContact O-N 3.47Å; D680-H684 VanDerWaalsContact O-N 3.15Å; K681-H684 PolarHBondContact O-N 3.43Å; K681-H684 VanDerWaalsContact O-N 3.17Å; D682-H684 VanDerWaalsContact C-N 3.27Å; D682-H684 PolarHBondContact O-CD2 3.22Å; D682-H684 VanDerWaalsContact O-CD2 3.26Å; H684-E701 CarbonylContact O-C 3.23Å; H684-E701 PolarHBondContact O-N 3.06Å; H684-K702 HydrophobicContact CB-CB 3.86Å; H684-K702 WeakPolarHBondContact NE2-CD 3.41Å; H684-K702 VanDerWaalsContact NE2-CE 3.33Å; H684-K702 WeakPolarHBondContact NE2-CE 3.44Å; H684-K702 PolarHBondContact NE2-NZ 2.9Å; H684-F709 PolarHBondContact ND1-O 3.4Å; H684-N710 WeakPolarHBondContact ND1-CA 3.37Å; H684-Y711 AromaticContact CE1-CD2 3.91Å; H684-Y711 AromaticContact CE1-CE2 3.96Å; H684-Y711 PolarHBondContact CE1-N 3Å; H684-Y711 PolarHBondContact ND1-N 3.03Å
685	R	98.3	Very high	98	Very high	15 Å²	15	25.7 Å²	25.7	6%	0.057	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	168.1	-172.8	69.1	-171.4	-178.9	-179.7	2	114	S657 R658 Q661 D680 N683 Q687 F699	S657-R685 PolarHBondContact O-NH1 2.9Å; S657-R685 PolarHBondContact O-NH2 3.17Å; R658-R685 PolarHBondContact O-NH2 3.38Å; Q661-R685 PolarHBondContact O-NH2 2.84Å; D680-R685 WeakPolarHBondContact CA-O 2.86Å; D680-R685 HydrophobicContact CB-CG 3.85Å; D680-R685 WeakPolarHBondContact CB-O 3.41Å; D680-R685 PolarHBondContact N-O 3.24Å; D680-R685 PolarHBondContact O-N 2.94Å; D680-R685 IonicContact OD2-CZ 3.62Å; D680-R685 VanDerWaalsContact OD2-CZ 3.26Å; D680-R685 IonicContact OD2-NE 2.68Å; D680-R685 PolarHBondContact OD2-NE 2.87Å; D680-R685 IonicContact OD2-NH2 3.48Å; D680-R685 PolarHBondContact OD2-NH2 2.89Å; N683-R685 HydrophobicContact CB-CG 3.96Å; N683-R685 PolarHBondContact O-N 3.24Å; R685-Q687 HydrophobicContact CG-CG 4.43Å; R685-Q687 VanDerWaalsContact NH2-NE2 3.13Å; R685-F699 WeakPolarHBondContact CB-O 3.35Å
686	I	98.7	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.4	166	-55	-56.7	0	0	0	109.1	V677 V678 A679 K698 F699 F709 P712 V725	V677-I686 HydrophobicContact CG1-CG2 3.52Å; V678-I686 WeakPolarHBondContact O-CA 3.21Å; A679-I686 HydrophobicContact CB-CD1 4.14Å; I686-K698 VanDerWaalsContact O-CA 3.25Å; I686-K698 WeakPolarHBondContact O-CA 3.18Å; I686-K698 WeakPolarHBondContact O-CB 3.47Å; I686-F699 HydrophobicContact CB-CD1 4.15Å; I686-F699 HydrophobicContact CB-CD2 4.36Å; I686-F699 HydrophobicContact CB-CE1 3.72Å; I686-F699 HydrophobicContact CB-CE2 3.94Å; I686-F699 HydrophobicContact CB-CG 4.46Å; I686-F699 HydrophobicContact CB-CZ 3.61Å; I686-F699 HydrophobicContact CG1-CE1 4.46Å; I686-F699 HydrophobicContact CG1-CE2 3.87Å; I686-F699 HydrophobicContact CG1-CZ 3.84Å; I686-F699 HydrophobicContact CG2-CD1 4.39Å; I686-F699 HydrophobicContact CG2-CE1 3.6Å; I686-F699 HydrophobicContact CG2-CE2 4.48Å; I686-F699 HydrophobicContact CG2-CZ 3.67Å; I686-F699 PolarHBondContact N-O 2.84Å; I686-F699 PolarHBondContact O-N 2.78Å; I686-F709 HydrophobicContact CG1-CE2 3.86Å; I686-F709 HydrophobicContact CG1-CZ 3.88Å; I686-P712 HydrophobicContact CD1-CB 4.39Å; I686-V725 HydrophobicContact CD1-CG1 3.93Å; I686-V725 HydrophobicContact CD1-CG2 3.81Å; I686-V725 HydrophobicContact CG1-CG2 3.91Å
687	Q	98.6	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.4	171.6	-64.3	-168.4	83.1	0	0	110.4	Q661 F662 V678 D680 R685 F689 F695 K698	Q661-Q687 PolarHBondContact O-NE2 3.44Å; F662-Q687 VanDerWaalsContact CD1-NE2 3.35Å; F662-Q687 HydrophobicContact CE1-CB 4.49Å; V678-Q687 PolarHBondContact N-O 2.8Å; V678-Q687 PolarHBondContact O-N 3.44Å; V678-Q687 VanDerWaalsContact O-N 3.09Å; D680-Q687 PolarHBondContact OD2-NE2 2.92Å; R685-Q687 HydrophobicContact CG-CG 4.43Å; R685-Q687 VanDerWaalsContact NH2-NE2 3.13Å; Q687-F689 HydrophobicContact CB-CD2 4.46Å; Q687-F689 HydrophobicContact CB-CE2 3.48Å; Q687-F689 VanDerWaalsContact CB-CE2 3.48Å; Q687-F689 HydrophobicContact CB-CZ 3.79Å; Q687-F695 HydrophobicContact CG-CE2 4.44Å; Q687-K698 HydrophobicContact CG-CB 3.88Å
688	I	98.4	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.9	178.1	-49.8	-172.6	0	0	0	109.5	R675 I676 V677 I696 L697 F699 I723	R675-I688 HydrophobicContact CB-CG2 3.99Å; I676-I688 CarbonylContact O-C 3.51Å; I676-I688 WeakPolarHBondContact O-CA 3.48Å; V677-I688 HydrophobicContact CG1-CG1 4.32Å; V677-I688 HydrophobicContact CG2-CD1 4.33Å; V677-I688 HydrophobicContact CG2-CG1 4.15Å; V677-I688 HydrophobicContact CG2-CG2 4.22Å; I688-I696 HydrophobicContact CG2-CD1 4.37Å; I688-I696 WeakPolarHBondContact O-CB 3.28Å; I688-I696 PolarHBondContact O-N 2.85Å; I688-L697 HydrophobicContact CB-CD1 4.32Å; I688-L697 HydrophobicContact CB-CG 4.19Å; I688-L697 HydrophobicContact CD1-CD1 3.63Å; I688-L697 HydrophobicContact CD1-CD2 4.37Å; I688-L697 HydrophobicContact CD1-CG 4.01Å; I688-L697 HydrophobicContact CG1-CD1 3.81Å; I688-L697 HydrophobicContact CG1-CG 4.19Å; I688-L697 PolarHBondContact N-O 3.11Å; I688-L697 PolarHBondContact O-N 2.77Å; I688-F699 HydrophobicContact CD1-CE1 4.36Å; I688-I723 HydrophobicContact CD1-CD1 3.67Å
689	F	98.5	Very high	97.9	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163	-177.7	-58.4	-91.3	0	0	0	111.8	F652 F662 R675 I676 V678 Q687 G693 Q694 F695	F652-F689 HydrophobicContact CD2-CD1 4.25Å; F652-F689 HydrophobicContact CD2-CE1 4.41Å; F652-F689 HydrophobicContact CD2-CG 4.43Å; F652-F689 HydrophobicContact CE2-CB 4.2Å; F652-F689 AromaticContact CE2-CD1 3.96Å; F652-F689 HydrophobicContact CE2-CD1 3.96Å; F652-F689 AromaticContact CE2-CD2 3.79Å; F652-F689 HydrophobicContact CE2-CD2 3.79Å; F652-F689 HydrophobicContact CE2-CE1 4.31Å; F652-F689 HydrophobicContact CE2-CE2 4.15Å; F652-F689 AromaticContact CE2-CG 3.7Å; F652-F689 HydrophobicContact CE2-CG 3.7Å; F652-F689 HydrophobicContact CE2-CZ 4.41Å; F652-F689 HydrophobicContact CZ-CB 4.33Å; F652-F689 HydrophobicContact CZ-CD2 4.43Å; F652-F689 HydrophobicContact CZ-CG 4.29Å; F662-F689 AromaticContact CE1-CE2 3.67Å; F662-F689 HydrophobicContact CE1-CE2 3.67Å; F662-F689 AromaticContact CE1-CZ 3.71Å; F662-F689 HydrophobicContact CE1-CZ 3.71Å; F662-F689 HydrophobicContact CZ-CE1 4.44Å; F662-F689 AromaticContact CZ-CE2 3.52Å; F662-F689 HydrophobicContact CZ-CE2 3.52Å; F662-F689 AromaticContact CZ-CZ 3.48Å; F662-F689 HydrophobicContact CZ-CZ 3.48Å; F662-F689 VanDerWaalsContact CZ-CZ 3.48Å; R675-F689 CarbonylContact C-O 3.49Å; R675-F689 WeakPolarHBondContact CA-O 3.35Å; R675-F689 WeakPolarHBondContact CB-O 3.36Å; I676-F689 HydrophobicContact CB-CB 4.44Å; I676-F689 PolarHBondContact N-O 2.83Å; I676-F689 PolarHBondContact O-N 3.32Å; V678-F689 HydrophobicContact CB-CE2 4.37Å; V678-F689 HydrophobicContact CG2-CD2 4.03Å; V678-F689 HydrophobicContact CG2-CE2 3.97Å; Q687-F689 HydrophobicContact CB-CD2 4.46Å; Q687-F689 HydrophobicContact CB-CE2 3.48Å; Q687-F689 VanDerWaalsContact CB-CE2 3.48Å; Q687-F689 HydrophobicContact CB-CZ 3.79Å; F689-G693 WeakPolarHBondContact CD1-O 3.5Å; F689-Q694 CarbonylContact C-O 3.45Å; F689-Q694 WeakPolarHBondContact CA-O 3.38Å; F689-Q694 WeakPolarHBondContact CB-O 3.42Å; F689-F695 HydrophobicContact CD1-CB 4.21Å; F689-F695 HydrophobicContact CE1-CB 4.03Å; F689-F695 AromaticContact CE1-CD2 3.9Å; F689-F695 HydrophobicContact CE1-CD2 3.9Å; F689-F695 HydrophobicContact CE1-CG 4.49Å; F689-F695 HydrophobicContact CZ-CD2 4.2Å
690	T	97.9	Very high	97.9	Very high	34 Å²	34	36 Å²	36	21%	0.209	18%	0.182	C	C	.	.			trans	-68.6	172.2	159.4	73.9	0	0	0	0	110.3	E692 G693 Q694 I696	T690-E692 WeakPolarHBondContact CB-OE2 3.3Å; T690-E692 PolarHBondContact O-N 2.9Å; T690-E692 PolarHBondContact OG1-N 2.84Å; T690-E692 PolarHBondContact OG1-OE2 2.88Å; T690-G693 PolarHBondContact O-N 2.83Å; T690-G693 VanDerWaalsContact O-N 3.09Å; T690-Q694 HydrophobicContact CG2-CB 3.94Å; T690-Q694 PolarHBondContact N-O 3.38Å; T690-Q694 WeakPolarHBondContact OG1-CB 3.49Å; T690-Q694 PolarHBondContact OG1-N 3.09Å; T690-I696 HydrophobicContact CG2-CD1 3.95Å; T690-I696 HydrophobicContact CG2-CG1 4.07Å
691	F	97.1	Very high	97.8	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.075	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31	176.9	-177	-106.8	0	0	0	112.6	D624 Y628 I630 V641 H650 R674 I676 G693	D624-F691 WeakPolarHBondContact OD2-CE2 3.4Å; Y628-F691 AromaticContact CD1-CZ 3.89Å; Y628-F691 HydrophobicContact CD1-CZ 3.89Å; Y628-F691 HydrophobicContact CD2-CZ 4.1Å; Y628-F691 HydrophobicContact CE1-CZ 4.44Å; Y628-F691 HydrophobicContact CG-CE2 4.35Å; Y628-F691 AromaticContact CG-CZ 3.7Å; Y628-F691 HydrophobicContact CG-CZ 3.7Å; I630-F691 HydrophobicContact CD1-CE2 4.48Å; V641-F691 HydrophobicContact CG1-CE2 4.15Å; V641-F691 HydrophobicContact CG1-CZ 3.88Å; H650-F691 PolarHBondContact CE1-O 2.96Å; H650-F691 PolarHBondContact NE2-O 3Å; H650-F691 VanDerWaalsContact NE2-O 3.14Å; R674-F691 HydrophobicContact CB-CB 3.98Å; R674-F691 HydrophobicContact CB-CD2 4.16Å; R674-F691 HydrophobicContact CB-CG 4.33Å; R674-F691 WeakPolarHBondContact O-CA 3.37Å; R674-F691 WeakPolarHBondContact O-CB 3.4Å; R674-F691 PolarHBondContact O-N 2.84Å; I676-F691 HydrophobicContact CD1-CD2 4.37Å; I676-F691 WeakPolarHBondContact CD1-O 3.35Å; F691-G693 VanDerWaalsContact C-N 3.27Å; F691-G693 PolarHBondContact O-N 3.08Å
692	E	96.9	Very high	97.8	Very high	115 Å²	115	47.2 Å²	47.2	54%	0.537	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.1	179.8	-47.8	69.9	-150.7	0	0	113.2	T690	T690-E692 WeakPolarHBondContact CB-OE2 3.3Å; T690-E692 PolarHBondContact O-N 2.9Å; T690-E692 PolarHBondContact OG1-N 2.84Å; T690-E692 PolarHBondContact OG1-OE2 2.88Å
693	G	96.3	Very high	97.8	Very high	15 Å²	15	46.7 Å²	46.7	16%	0.155	23%	0.234	C	C	.	.			trans	83.5	14.4	-179.8	0	0	0	0	0	115.6	F652 F689 T690 F691	F652-G693 VanDerWaalsContact CD1-CA 3.43Å; F652-G693 VanDerWaalsContact CG-CA 3.5Å; F689-G693 WeakPolarHBondContact CD1-O 3.5Å; T690-G693 PolarHBondContact O-N 2.83Å; T690-G693 VanDerWaalsContact O-N 3.09Å; F691-G693 VanDerWaalsContact C-N 3.27Å; F691-G693 PolarHBondContact O-N 3.08Å
694	Q	97.9	Very high	97.7	Very high	130 Å²	130	49.7 Å²	49.7	61%	0.607	25%	0.253	S	S	*	.			trans	-73.7	132	173.5	-55.5	-175.6	9.9	0	0	110.1	F689 T690 I696	F689-Q694 CarbonylContact C-O 3.45Å; F689-Q694 WeakPolarHBondContact CA-O 3.38Å; F689-Q694 WeakPolarHBondContact CB-O 3.42Å; T690-Q694 HydrophobicContact CG2-CB 3.94Å; T690-Q694 PolarHBondContact N-O 3.38Å; T690-Q694 WeakPolarHBondContact OG1-CB 3.49Å; T690-Q694 PolarHBondContact OG1-N 3.09Å; Q694-I696 PolarHBondContact O-N 3.35Å
695	F	98.1	Very high	97.6	Very high	82 Å²	82	56.4 Å²	56.4	36%	0.36	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.8	-176.9	176.3	-94.1	0	0	0	112.1	P659 Q687 F689 L697 K698	P659-F695 HydrophobicContact CB-CD1 4Å; P659-F695 HydrophobicContact CB-CD2 3.94Å; P659-F695 HydrophobicContact CB-CE1 3.88Å; P659-F695 HydrophobicContact CB-CE2 3.82Å; P659-F695 HydrophobicContact CB-CG 4.02Å; P659-F695 HydrophobicContact CB-CZ 3.78Å; P659-F695 HydrophobicContact CG-CZ 4.48Å; Q687-F695 HydrophobicContact CG-CE2 4.44Å; F689-F695 HydrophobicContact CD1-CB 4.21Å; F689-F695 HydrophobicContact CE1-CB 4.03Å; F689-F695 AromaticContact CE1-CD2 3.9Å; F689-F695 HydrophobicContact CE1-CD2 3.9Å; F689-F695 HydrophobicContact CE1-CG 4.49Å; F689-F695 HydrophobicContact CZ-CD2 4.2Å; F695-L697 WeakPolarHBondContact CE2-O 3.49Å; F695-K698 HydrophobicContact CE2-CB 3.96Å; F695-K698 HydrophobicContact CE2-CG 4.46Å; F695-K698 HydrophobicContact CZ-CB 3.91Å; F695-K698 HydrophobicContact CZ-CD 4.42Å; F695-K698 HydrophobicContact CZ-CG 4.02Å
696	I	97.6	Very high	97.5	Very high	73 Å²	73	59.5 Å²	59.5	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-63.9	176.1	-57.6	177.4	0	0	0	110.4	R675 I688 T690 Q694	R675-I696 HydrophobicContact CG-CD1 4.05Å; I688-I696 HydrophobicContact CG2-CD1 4.37Å; I688-I696 WeakPolarHBondContact O-CB 3.28Å; I688-I696 PolarHBondContact O-N 2.85Å; T690-I696 HydrophobicContact CG2-CD1 3.95Å; T690-I696 HydrophobicContact CG2-CG1 4.07Å; Q694-I696 PolarHBondContact O-N 3.35Å
697	L	97	Very high	97.4	Very high	43 Å²	43	60.4 Å²	60.4	23%	0.225	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	166.4	-177.5	69.4	81.3	0	0	0	112.6	I688 F695 F699	I688-L697 HydrophobicContact CB-CD1 4.32Å; I688-L697 HydrophobicContact CB-CG 4.19Å; I688-L697 HydrophobicContact CD1-CD1 3.63Å; I688-L697 HydrophobicContact CD1-CD2 4.37Å; I688-L697 HydrophobicContact CD1-CG 4.01Å; I688-L697 HydrophobicContact CG1-CD1 3.81Å; I688-L697 HydrophobicContact CG1-CG 4.19Å; I688-L697 PolarHBondContact N-O 3.11Å; I688-L697 PolarHBondContact O-N 2.77Å; F695-L697 WeakPolarHBondContact CE2-O 3.49Å; L697-F699 HydrophobicContact CD1-CD1 3.79Å; L697-F699 HydrophobicContact CD1-CE1 4.35Å
698	K	97.9	Very high	97.3	Very high	101 Å²	101	61.7 Å²	61.7	44%	0.439	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.7	171.4	70.1	178.7	-176.1	59.1	0	110.8	I686 Q687 F695	I686-K698 VanDerWaalsContact O-CA 3.25Å; I686-K698 WeakPolarHBondContact O-CA 3.18Å; I686-K698 WeakPolarHBondContact O-CB 3.47Å; Q687-K698 HydrophobicContact CG-CB 3.88Å; F695-K698 HydrophobicContact CE2-CB 3.96Å; F695-K698 HydrophobicContact CE2-CG 4.46Å; F695-K698 HydrophobicContact CZ-CB 3.91Å; F695-K698 HydrophobicContact CZ-CD 4.42Å; F695-K698 HydrophobicContact CZ-CG 4.02Å
699	F	98.5	Very high	97.3	Very high	23 Å²	23	61.7 Å²	61.7	10%	0.101	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.8	173.6	63.9	-85.9	0	0	0	111.2	R685 I686 I688 L697 F709 I723 F736 G740	R685-F699 WeakPolarHBondContact CB-O 3.35Å; I686-F699 HydrophobicContact CB-CD1 4.15Å; I686-F699 HydrophobicContact CB-CD2 4.36Å; I686-F699 HydrophobicContact CB-CE1 3.72Å; I686-F699 HydrophobicContact CB-CE2 3.94Å; I686-F699 HydrophobicContact CB-CG 4.46Å; I686-F699 HydrophobicContact CB-CZ 3.61Å; I686-F699 HydrophobicContact CG1-CE1 4.46Å; I686-F699 HydrophobicContact CG1-CE2 3.87Å; I686-F699 HydrophobicContact CG1-CZ 3.84Å; I686-F699 HydrophobicContact CG2-CD1 4.39Å; I686-F699 HydrophobicContact CG2-CE1 3.6Å; I686-F699 HydrophobicContact CG2-CE2 4.48Å; I686-F699 HydrophobicContact CG2-CZ 3.67Å; I686-F699 PolarHBondContact N-O 2.84Å; I686-F699 PolarHBondContact O-N 2.78Å; I688-F699 HydrophobicContact CD1-CE1 4.36Å; L697-F699 HydrophobicContact CD1-CD1 3.79Å; L697-F699 HydrophobicContact CD1-CE1 4.35Å; F699-F709 HydrophobicContact CD2-CE2 4.3Å; F699-F709 HydrophobicContact CD2-CZ 4.43Å; F699-F709 HydrophobicContact CE2-CE2 4.37Å; F699-F709 HydrophobicContact CE2-CZ 4.11Å; F699-I723 HydrophobicContact CE1-CD1 4.02Å; F699-I723 HydrophobicContact CZ-CD1 4.06Å; F699-I723 HydrophobicContact CZ-CG2 4.47Å; F699-F736 HydrophobicContact CD2-CD1 4.05Å; F699-F736 HydrophobicContact CD2-CE1 4.1Å; F699-F736 HydrophobicContact CD2-CG 4.48Å; F699-F736 HydrophobicContact CE2-CB 4.2Å; F699-F736 AromaticContact CE2-CD1 3.63Å; F699-F736 HydrophobicContact CE2-CD1 3.63Å; F699-F736 AromaticContact CE2-CD2 3.85Å; F699-F736 HydrophobicContact CE2-CD2 3.85Å; F699-F736 AromaticContact CE2-CE1 3.89Å; F699-F736 HydrophobicContact CE2-CE1 3.89Å; F699-F736 HydrophobicContact CE2-CE2 4.09Å; F699-F736 AromaticContact CE2-CG 3.62Å; F699-F736 HydrophobicContact CE2-CG 3.62Å; F699-F736 HydrophobicContact CE2-CZ 4.12Å; F699-F736 HydrophobicContact CZ-CB 4.28Å; F699-F736 HydrophobicContact CZ-CD1 4.49Å; F699-F736 HydrophobicContact CZ-CD2 4.39Å; F699-F736 HydrophobicContact CZ-CG 4.15Å; F699-G740 VanDerWaalsContact CD1-CA 3.47Å
700	G	97.4	Very high	97.3	Very high	25 Å²	25	63.6 Å²	63.6	26%	0.258	33%	0.325	S	S	.	.			trans	90.3	154.3	-175.5	0	0	0	0	0	115.1	G707	G700-G707 WeakPolarHBondContact CA-O 3.48Å
701	E	97	Very high	97.2	Very high	117 Å²	117	66 Å²	66	55%	0.547	33%	0.331	S	S	.	.			trans	-152.1	170	179	62.4	176.2	-174.3	0	0	109.4	H684 G703 Q708 F709	H684-E701 CarbonylContact O-C 3.23Å; H684-E701 PolarHBondContact O-N 3.06Å; E701-G703 PolarHBondContact O-N 3.24Å; E701-Q708 HydrophobicContact CG-CB 4.47Å; E701-Q708 HydrophobicContact CG-CG 3.84Å; E701-Q708 CarbonylContact O-C 3.48Å; E701-Q708 WeakPolarHBondContact O-CA 3.41Å; E701-Q708 PolarHBondContact OE1-NE2 3.26Å; E701-F709 PolarHBondContact O-N 3.25Å
702	K	98.1	Very high	97.3	Very high	132 Å²	132	65.1 Å²	65.1	57%	0.574	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-69.1	116.4	-179.5	-174.6	167.8	-165.8	140.2	0	112.3	H684 F709	H684-K702 HydrophobicContact CB-CB 3.86Å; H684-K702 WeakPolarHBondContact NE2-CD 3.41Å; H684-K702 VanDerWaalsContact NE2-CE 3.33Å; H684-K702 WeakPolarHBondContact NE2-CE 3.44Å; H684-K702 PolarHBondContact NE2-NZ 2.9Å; K702-F709 WeakPolarHBondContact CA-O 3.35Å
703	G	96.7	Very high	97.3	Very high	16 Å²	16	61.9 Å²	61.9	17%	0.165	31%	0.31	C	S	.	.	S	Bend	trans	169.4	-162.4	174.6	0	0	0	0	0	115	E701 F709 N730	E701-G703 PolarHBondContact O-N 3.24Å; G703-F709 PolarHBondContact N-O 3.26Å; G703-F709 VanDerWaalsContact N-O 3.08Å; G703-F709 CarbonylContact O-C 3.42Å; G703-N730 PolarHBondContact O-ND2 3.24Å
704	T	95.4	Very high	97.4	Very high	97 Å²	97	61.8 Å²	61.8	60%	0.595	31%	0.306	S	S	*	.	S	Bend	trans	-124	-11.1	-171.9	56.8	0	0	0	0	114	R732	T704-R732 PolarHBondContact O-NH1 3.02Å; T704-R732 PolarHBondContact O-NH2 3.15Å
705	K	96.6	Very high	97.5	Very high	148 Å²	148	55.9 Å²	55.9	64%	0.643	28%	0.279	S	S	*	.	S	Bend	trans	-68.6	167.8	175.6	-59	176.5	-178.6	177.8	0	110.9	G707 Q708 R732	K705-G707 PolarHBondContact O-N 2.97Å; K705-Q708 HydrophobicContact CB-CG 4.01Å; K705-Q708 WeakPolarHBondContact O-CB 3.45Å; K705-Q708 PolarHBondContact O-N 3.26Å; K705-Q708 VanDerWaalsContact O-N 3.09Å; K705-R732 PolarHBondContact O-NH2 2.93Å
706	N	96.7	Very high	97.5	Very high	80 Å²	80	52.3 Å²	52.3	43%	0.428	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	135.5	170.1	-62.6	2.4	0	0	0	109.2	Q708 F742	N706-Q708 PolarHBondContact O-N 3.13Å; N706-F742 HydrophobicContact CB-CD1 3.97Å; N706-F742 HydrophobicContact CB-CD2 3.89Å; N706-F742 HydrophobicContact CB-CE1 3.88Å; N706-F742 HydrophobicContact CB-CE2 3.77Å; N706-F742 HydrophobicContact CB-CG 3.99Å; N706-F742 HydrophobicContact CB-CZ 3.77Å; N706-F742 VanDerWaalsContact ND2-CE1 3.31Å; N706-F742 WeakPolarHBondContact ND2-CE1 3.49Å; N706-F742 WeakPolarHBondContact ND2-CZ 3.36Å
707	G	95.7	Very high	97.5	Very high	19 Å²	19	50 Å²	50	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-6.9	-174.3	0	0	0	0	0	116	G700 K705	G700-G707 WeakPolarHBondContact CA-O 3.48Å; K705-G707 PolarHBondContact O-N 2.97Å
708	Q	98.1	Very high	97.3	Very high	28 Å²	28	49.1 Å²	49.1	13%	0.131	25%	0.25	C	C	.	.			trans	-93.8	155.8	167.1	-58.6	-176	-35.4	0	0	110.3	E701 K705 N706 R732 Q734	E701-Q708 HydrophobicContact CG-CB 4.47Å; E701-Q708 HydrophobicContact CG-CG 3.84Å; E701-Q708 CarbonylContact O-C 3.48Å; E701-Q708 WeakPolarHBondContact O-CA 3.41Å; E701-Q708 PolarHBondContact OE1-NE2 3.26Å; K705-Q708 HydrophobicContact CB-CG 4.01Å; K705-Q708 WeakPolarHBondContact O-CB 3.45Å; K705-Q708 PolarHBondContact O-N 3.26Å; K705-Q708 VanDerWaalsContact O-N 3.09Å; N706-Q708 PolarHBondContact O-N 3.13Å; Q708-R732 PolarHBondContact O-NH2 3.44Å; Q708-Q734 PolarHBondContact O-NE2 3.06Å
709	F	98.4	Very high	96.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-131.5	153	-177.8	-56.3	-71.9	0	0	0	113.7	H684 I686 F699 E701 K702 G703 P712 V725 D727 F736	H684-F709 PolarHBondContact ND1-O 3.4Å; I686-F709 HydrophobicContact CG1-CE2 3.86Å; I686-F709 HydrophobicContact CG1-CZ 3.88Å; F699-F709 HydrophobicContact CD2-CE2 4.3Å; F699-F709 HydrophobicContact CD2-CZ 4.43Å; F699-F709 HydrophobicContact CE2-CE2 4.37Å; F699-F709 HydrophobicContact CE2-CZ 4.11Å; E701-F709 PolarHBondContact O-N 3.25Å; K702-F709 WeakPolarHBondContact CA-O 3.35Å; G703-F709 PolarHBondContact N-O 3.26Å; G703-F709 VanDerWaalsContact N-O 3.08Å; G703-F709 CarbonylContact O-C 3.42Å; F709-P712 HydrophobicContact CB-CB 3.97Å; F709-P712 HydrophobicContact CB-CG 3.74Å; F709-P712 HydrophobicContact CD1-CB 4.02Å; F709-P712 HydrophobicContact CD2-CB 4.5Å; F709-P712 HydrophobicContact CD2-CG 4.33Å; F709-P712 HydrophobicContact CG-CB 3.94Å; F709-P712 HydrophobicContact CG-CG 4.01Å; F709-V725 HydrophobicContact CD1-CG1 4.14Å; F709-V725 HydrophobicContact CE1-CB 4Å; F709-V725 HydrophobicContact CE1-CG1 3.66Å; F709-V725 HydrophobicContact CE1-CG2 4.32Å; F709-V725 HydrophobicContact CZ-CB 4.47Å; F709-V725 HydrophobicContact CZ-CG1 4.23Å; F709-V725 HydrophobicContact CZ-CG2 4.3Å; F709-D727 WeakPolarHBondContact CA-OD1 3.37Å; F709-D727 HydrophobicContact CD1-CB 4.19Å; F709-F736 AromaticContact CE1-CE2 3.71Å; F709-F736 HydrophobicContact CE1-CE2 3.71Å; F709-F736 AromaticContact CE1-CZ 3.69Å; F709-F736 HydrophobicContact CE1-CZ 3.69Å; F709-F736 HydrophobicContact CE2-CZ 4.4Å; F709-F736 HydrophobicContact CZ-CE1 4.32Å; F709-F736 AromaticContact CZ-CE2 3.52Å; F709-F736 HydrophobicContact CZ-CE2 3.52Å; F709-F736 AromaticContact CZ-CZ 3.38Å; F709-F736 HydrophobicContact CZ-CZ 3.38Å
710	N	97.3	Very high	96.5	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.214	29%	0.285	C	S	.	.	S	Bend	trans	-130.5	91.2	174.1	-161.7	2.4	0	0	0	109	H684 D727 R729 N730	H684-N710 WeakPolarHBondContact ND1-CA 3.37Å; N710-D727 PolarHBondContact N-OD1 3.43Å; N710-R729 HydrophobicContact CB-CB 3.85Å; N710-R729 VanDerWaalsContact CG-CB 3.44Å; N710-R729 WeakPolarHBondContact ND2-CB 3.49Å; N710-R729 WeakPolarHBondContact O-CB 3.49Å; N710-R729 PolarHBondContact O-N 3.03Å; N710-N730 VanDerWaalsContact CB-CG 3.45Å; N710-N730 WeakPolarHBondContact CB-ND2 3.36Å; N710-N730 WeakPolarHBondContact CB-OD1 3.43Å; N710-N730 PolarHBondContact N-ND2 3.45Å; N710-N730 PolarHBondContact ND2-OD1 3.05Å
711	Y	97.1	Very high	96.2	Very high	84 Å²	84	52.3 Å²	52.3	33%	0.329	28%	0.276	S	S	.	.	S	Bend	trans	55.2	70	-167.6	-57.3	-89.3	0	0	0	112.4	K681 D682 H684 W713 T728 R729	K681-Y711 HydrophobicContact CG-CD1 4.19Å; D682-Y711 WeakPolarHBondContact OD1-CD1 3.45Å; D682-Y711 WeakPolarHBondContact OD1-CE1 3.22Å; H684-Y711 AromaticContact CE1-CD2 3.91Å; H684-Y711 AromaticContact CE1-CE2 3.96Å; H684-Y711 PolarHBondContact CE1-N 3Å; H684-Y711 PolarHBondContact ND1-N 3.03Å; Y711-W713 PolarHBondContact O-N 3.14Å; Y711-T728 PolarHBondContact O-N 2.9Å; Y711-T728 PolarHBondContact O-OG1 2.97Å; Y711-R729 HydrophobicContact CD2-CB 4.33Å; Y711-R729 HydrophobicContact CD2-CG 3.62Å; Y711-R729 HydrophobicContact CE2-CG 4.39Å; Y711-R729 HydrophobicContact CG-CG 4.36Å
712	P	98.1	Very high	96.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	123.2	169.8	28.5	-30.2	0	0	0	108.4	K681 I686 F709 V725 S726	K681-P712 VanDerWaalsContact CA-O 3.31Å; K681-P712 WeakPolarHBondContact CA-O 3.25Å; K681-P712 VanDerWaalsContact CB-O 3.3Å; K681-P712 WeakPolarHBondContact CB-O 3.19Å; K681-P712 WeakPolarHBondContact CG-O 3.45Å; I686-P712 HydrophobicContact CD1-CB 4.39Å; F709-P712 HydrophobicContact CB-CB 3.97Å; F709-P712 HydrophobicContact CB-CG 3.74Å; F709-P712 HydrophobicContact CD1-CB 4.02Å; F709-P712 HydrophobicContact CD2-CB 4.5Å; F709-P712 HydrophobicContact CD2-CG 4.33Å; F709-P712 HydrophobicContact CG-CB 3.94Å; F709-P712 HydrophobicContact CG-CG 4.01Å; P712-V725 HydrophobicContact CB-CG1 3.73Å; P712-S726 CarbonylContact C-O 3.54Å; P712-S726 VanDerWaalsContact CA-O 3.27Å; P712-S726 WeakPolarHBondContact CA-O 3.19Å
713	W	98.3	Very high	96.2	Very high	47 Å²	47	43.5 Å²	43.5	18%	0.178	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-54.1	-166.9	-169.1	-68.7	0	0	0	113.1	W619 A666 G667 A679 K681 Y711 S726 T728	W619-W713 AromaticContact CD1-NE1 3.85Å; W619-W713 AromaticContact CD2-CD1 3.94Å; W619-W713 AromaticContact CD2-NE1 3.19Å; W619-W713 AromaticContact CE2-CD1 3.95Å; W619-W713 AromaticContact CE2-NE1 3.14Å; W619-W713 AromaticContact CE3-CD1 3.86Å; W619-W713 AromaticContact CE3-NE1 3.59Å; W619-W713 HydrophobicContact CG-CZ2 4.44Å; W619-W713 AromaticContact CG-NE1 3.7Å; W619-W713 AromaticContact CH2-CD1 3.94Å; W619-W713 AromaticContact CH2-NE1 3.97Å; W619-W713 AromaticContact CZ2-CD1 3.96Å; W619-W713 AromaticContact CZ2-NE1 3.56Å; W619-W713 AromaticContact CZ3-CD1 3.88Å; W619-W713 AromaticContact CZ3-NE1 3.97Å; W619-W713 AromaticContact NE1-NE1 3.48Å; A666-W713 CarbonylContact C-O 3.58Å; A666-W713 HydrophobicContact CB-CD2 4.47Å; A666-W713 HydrophobicContact CB-CG 4.3Å; A666-W713 WeakPolarHBondContact CB-O 3.39Å; G667-W713 WeakPolarHBondContact CA-O 3.39Å; G667-W713 PolarHBondContact N-O 2.85Å; A679-W713 WeakPolarHBondContact CB-O 3.43Å; K681-W713 HydrophobicContact CD-CD2 3.98Å; K681-W713 HydrophobicContact CD-CE3 3.47Å; K681-W713 VanDerWaalsContact CD-CE3 3.47Å; K681-W713 HydrophobicContact CD-CZ3 3.84Å; Y711-W713 PolarHBondContact O-N 3.14Å; W713-S726 PolarHBondContact N-O 2.84Å; W713-T728 HydrophobicContact CB-CG2 3.32Å; W713-T728 HydrophobicContact CG-CG2 4.31Å
714	D	98.4	Very high	96.3	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.07	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.7	-179.3	-162.1	21.9	0	0	0	111.6	W619 G667 V725 S726 R760 G761 V762	W619-D714 HydrophobicContact CH2-CB 3.93Å; W619-D714 HydrophobicContact CZ3-CB 3.74Å; W619-D714 VanDerWaalsContact CZ3-CG 3.43Å; W619-D714 WeakPolarHBondContact CZ3-OD1 3.19Å; G667-D714 WeakPolarHBondContact CA-OD1 3.45Å; D714-V725 WeakPolarHBondContact O-CA 3.41Å; D714-S726 WeakPolarHBondContact CB-OG 3.34Å; D714-S726 PolarHBondContact N-OG 2.77Å; D714-S726 PolarHBondContact O-N 2.89Å; D714-R760 WeakPolarHBondContact CB-O 3.49Å; D714-G761 VanDerWaalsContact OD2-CA 3.22Å; D714-G761 WeakPolarHBondContact OD2-CA 3.4Å; D714-V762 HydrophobicContact CB-CG2 4.04Å; D714-V762 PolarHBondContact OD2-N 3.34Å
715	V	98.5	Very high	96.4	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.3	-178	62.7	0	0	0	0	110.8	A669 V677 A679 I723 L724 V725	A669-V715 HydrophobicContact CB-CG1 4.28Å; A669-V715 WeakPolarHBondContact CB-O 3.49Å; V677-V715 HydrophobicContact CB-CG2 4.47Å; V677-V715 HydrophobicContact CG1-CG1 4.42Å; V677-V715 HydrophobicContact CG1-CG2 3.68Å; A679-V715 HydrophobicContact CB-CB 4.33Å; A679-V715 HydrophobicContact CB-CG1 4.15Å; V715-I723 HydrophobicContact CG2-CG2 3.42Å; V715-I723 VanDerWaalsContact CG2-CG2 3.42Å; V715-L724 CarbonylContact C-O 3.17Å; V715-L724 VanDerWaalsContact CA-O 3.25Å; V715-L724 WeakPolarHBondContact CA-O 3.48Å; V715-V725 HydrophobicContact CG2-CG2 4.21Å
716	A	98.3	Very high	96.5	Very high	8 Å²	8	31 Å²	31	7%	0.066	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	157.6	172.9	0	0	0	0	0	110.5	I723 L724 V762 F764	A716-I723 CarbonylContact O-C 3.57Å; A716-I723 WeakPolarHBondContact O-CA 3.35Å; A716-L724 PolarHBondContact N-O 2.99Å; A716-L724 PolarHBondContact O-N 3.47Å; A716-V762 HydrophobicContact CB-CG2 3.97Å; A716-V762 WeakPolarHBondContact CB-O 3.39Å; A716-F764 HydrophobicContact CB-CD2 4.12Å; A716-F764 HydrophobicContact CB-CE2 4.17Å
717	V	97.2	Very high	96.5	Very high	25 Å²	25	27.2 Å²	27.2	15%	0.152	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.4	177.7	-172.1	0	0	0	0	109.2	A669 D671 V677 K722 I723	A669-V717 HydrophobicContact CB-CG2 3.87Å; D671-V717 HydrophobicContact CB-CB 4.41Å; D671-V717 HydrophobicContact CB-CG1 3.83Å; V677-V717 HydrophobicContact CB-CG2 4.23Å; V677-V717 HydrophobicContact CG2-CG2 3.83Å; V717-K722 WeakPolarHBondContact CA-O 3.43Å; V717-I723 HydrophobicContact CG2-CG1 4.27Å; V717-I723 HydrophobicContact CG2-CG2 4.5Å
718	N	94.1	Very high	96.4	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	14%	0.142	C	C	.	.			trans	-94.3	178.4	176.4	81.6	-7.7	0	0	0	112.5	E720 G721 K722 F764	N718-E720 PolarHBondContact ND2-OE2 3.49Å; N718-E720 PolarHBondContact O-N 3.27Å; N718-E720 VanDerWaalsContact O-N 3.17Å; N718-E720 WeakPolarHBondContact OD1-CA 3.08Å; N718-E720 WeakPolarHBondContact OD1-CB 3.19Å; N718-E720 PolarHBondContact OD1-N 2.97Å; N718-G721 PolarHBondContact O-N 3.02Å; N718-G721 PolarHBondContact OD1-N 3.01Å; N718-K722 PolarHBondContact N-O 3.45Å; N718-K722 VanDerWaalsContact N-O 3.11Å; N718-K722 WeakPolarHBondContact OD1-CB 3.43Å; N718-K722 PolarHBondContact OD1-N 3.26Å; N718-F764 HydrophobicContact CB-CB 4.34Å; N718-F764 HydrophobicContact CB-CD1 3.93Å; N718-F764 HydrophobicContact CB-CD2 3.69Å; N718-F764 HydrophobicContact CB-CE1 4.03Å; N718-F764 HydrophobicContact CB-CE2 3.81Å; N718-F764 HydrophobicContact CB-CG 3.74Å; N718-F764 HydrophobicContact CB-CZ 3.96Å
719	A	88.3	Confident	96.2	Very high	86 Å²	86	33.5 Å²	33.5	71%	0.711	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-19.6	-179.5	0	0	0	0	0	114.6	G721	A719-G721 VanDerWaalsContact C-N 3.35Å
720	E	89.9	Confident	96.1	Very high	124 Å²	124	34.7 Å²	34.7	58%	0.579	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.6	175	-51.1	164.8	107.3	0	0	112.4	N718 K722	N718-E720 PolarHBondContact ND2-OE2 3.49Å; N718-E720 PolarHBondContact O-N 3.27Å; N718-E720 VanDerWaalsContact O-N 3.17Å; N718-E720 WeakPolarHBondContact OD1-CA 3.08Å; N718-E720 WeakPolarHBondContact OD1-CB 3.19Å; N718-E720 PolarHBondContact OD1-N 2.97Å; E720-K722 HydrophobicContact CB-CG 4.38Å; E720-K722 IonicContact OE1-NZ 3.52Å; E720-K722 PolarHBondContact OE1-NZ 2.59Å; E720-K722 VanDerWaalsContact OE2-CD 3.29Å; E720-K722 WeakPolarHBondContact OE2-CD 3.32Å; E720-K722 WeakPolarHBondContact OE2-CE 3.24Å; E720-K722 IonicContact OE2-NZ 2.71Å; E720-K722 PolarHBondContact OE2-NZ 3.01Å
721	G	92.4	Very high	95.9	Very high	5 Å²	5	35.2 Å²	35.2	5%	0.052	17%	0.173	C	C	.	.			trans	82	8.2	-173.8	0	0	0	0	0	115	N718 A719 P738	N718-G721 PolarHBondContact O-N 3.02Å; N718-G721 PolarHBondContact OD1-N 3.01Å; A719-G721 VanDerWaalsContact C-N 3.35Å; G721-P738 VanDerWaalsContact O-CA 3.29Å; G721-P738 WeakPolarHBondContact O-CA 3.4Å; G721-P738 WeakPolarHBondContact O-CB 3.45Å
722	K	96.5	Very high	95.9	Very high	64 Å²	64	32 Å²	32	28%	0.278	16%	0.161	S	C	.	.			trans	-68.3	135.2	174	-63.8	176.1	-172.2	148.8	0	110	V717 N718 E720 L735 F736 L743	V717-K722 WeakPolarHBondContact CA-O 3.43Å; N718-K722 PolarHBondContact N-O 3.45Å; N718-K722 VanDerWaalsContact N-O 3.11Å; N718-K722 WeakPolarHBondContact OD1-CB 3.43Å; N718-K722 PolarHBondContact OD1-N 3.26Å; E720-K722 HydrophobicContact CB-CG 4.38Å; E720-K722 IonicContact OE1-NZ 3.52Å; E720-K722 PolarHBondContact OE1-NZ 2.59Å; E720-K722 VanDerWaalsContact OE2-CD 3.29Å; E720-K722 WeakPolarHBondContact OE2-CD 3.32Å; E720-K722 WeakPolarHBondContact OE2-CE 3.24Å; E720-K722 IonicContact OE2-NZ 2.71Å; E720-K722 PolarHBondContact OE2-NZ 3.01Å; K722-L735 HydrophobicContact CB-CD1 4.2Å; K722-F736 CarbonylContact C-O 3.31Å; K722-F736 VanDerWaalsContact CA-O 3.25Å; K722-F736 WeakPolarHBondContact CA-O 3.39Å; K722-L743 HydrophobicContact CD-CD1 4.17Å; K722-L743 HydrophobicContact CG-CD1 4.12Å
723	I	98.3	Very high	95.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.6	-172.4	-49.9	176.1	0	0	0	109.6	V677 I688 F699 V715 A716 V717 V725 L735 F736	V677-I723 HydrophobicContact CG1-CD1 4.3Å; V677-I723 HydrophobicContact CG1-CG2 4.01Å; V677-I723 HydrophobicContact CG2-CD1 4.42Å; I688-I723 HydrophobicContact CD1-CD1 3.67Å; F699-I723 HydrophobicContact CE1-CD1 4.02Å; F699-I723 HydrophobicContact CZ-CD1 4.06Å; F699-I723 HydrophobicContact CZ-CG2 4.47Å; V715-I723 HydrophobicContact CG2-CG2 3.42Å; V715-I723 VanDerWaalsContact CG2-CG2 3.42Å; A716-I723 CarbonylContact O-C 3.57Å; A716-I723 WeakPolarHBondContact O-CA 3.35Å; V717-I723 HydrophobicContact CG2-CG1 4.27Å; V717-I723 HydrophobicContact CG2-CG2 4.5Å; I723-V725 HydrophobicContact CG2-CG2 4.21Å; I723-L735 CarbonylContact O-C 3.56Å; I723-L735 WeakPolarHBondContact O-CA 3.37Å; I723-F736 HydrophobicContact CB-CB 4.29Å; I723-F736 PolarHBondContact N-O 3.41Å; I723-F736 PolarHBondContact O-N 2.97Å
724	L	98.5	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.3	176.3	174	64.4	0	0	0	109.9	V715 A716 V733 L735 V762 F764 L770	V715-L724 CarbonylContact C-O 3.17Å; V715-L724 VanDerWaalsContact CA-O 3.25Å; V715-L724 WeakPolarHBondContact CA-O 3.48Å; A716-L724 PolarHBondContact N-O 2.99Å; A716-L724 PolarHBondContact O-N 3.47Å; L724-V733 HydrophobicContact CD1-CB 3.95Å; L724-V733 HydrophobicContact CD1-CG2 4.23Å; L724-L735 HydrophobicContact CB-CD1 4.23Å; L724-V762 HydrophobicContact CD2-CB 3.82Å; L724-V762 HydrophobicContact CD2-CG1 4.41Å; L724-V762 HydrophobicContact CD2-CG2 4.47Å; L724-V762 HydrophobicContact CG-CB 4.01Å; L724-V762 HydrophobicContact CG-CG1 4.35Å; L724-V762 HydrophobicContact CG-CG2 4.29Å; L724-F764 HydrophobicContact CB-CE1 4.41Å; L724-F764 HydrophobicContact CB-CE2 3.67Å; L724-F764 HydrophobicContact CB-CZ 3.55Å; L724-F764 HydrophobicContact CD2-CE2 4.41Å; L724-F764 HydrophobicContact CD2-CZ 4.39Å; L724-L770 HydrophobicContact CD1-CB 4.48Å; L724-L770 HydrophobicContact CD1-CD1 3.99Å; L724-L770 HydrophobicContact CD1-CD2 4.39Å; L724-L770 HydrophobicContact CD2-CB 3.85Å; L724-L770 HydrophobicContact CD2-CD2 4.16Å; L724-L770 HydrophobicContact CD2-CG 4.47Å
725	V	98.6	Very high	95.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.6	-176	-178	0	0	0	0	111.5	I686 F709 P712 D714 V715 I723 V733 Q734 F736	I686-V725 HydrophobicContact CD1-CG1 3.93Å; I686-V725 HydrophobicContact CD1-CG2 3.81Å; I686-V725 HydrophobicContact CG1-CG2 3.91Å; F709-V725 HydrophobicContact CD1-CG1 4.14Å; F709-V725 HydrophobicContact CE1-CB 4Å; F709-V725 HydrophobicContact CE1-CG1 3.66Å; F709-V725 HydrophobicContact CE1-CG2 4.32Å; F709-V725 HydrophobicContact CZ-CB 4.47Å; F709-V725 HydrophobicContact CZ-CG1 4.23Å; F709-V725 HydrophobicContact CZ-CG2 4.3Å; P712-V725 HydrophobicContact CB-CG1 3.73Å; D714-V725 WeakPolarHBondContact O-CA 3.41Å; V715-V725 HydrophobicContact CG2-CG2 4.21Å; I723-V725 HydrophobicContact CG2-CG2 4.21Å; V725-V733 VanDerWaalsContact O-CA 3.25Å; V725-V733 WeakPolarHBondContact O-CA 3.47Å; V725-V733 WeakPolarHBondContact O-CB 3.26Å; V725-Q734 PolarHBondContact N-O 2.87Å; V725-Q734 PolarHBondContact O-N 2.92Å; V725-F736 HydrophobicContact CB-CE2 4.39Å; V725-F736 HydrophobicContact CG2-CD2 4.15Å; V725-F736 HydrophobicContact CG2-CE2 4.06Å
726	S	97.9	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.9	167.9	56	0	0	0	0	112	P712 W713 D714 T728 R760	P712-S726 CarbonylContact C-O 3.54Å; P712-S726 VanDerWaalsContact CA-O 3.27Å; P712-S726 WeakPolarHBondContact CA-O 3.19Å; W713-S726 PolarHBondContact N-O 2.84Å; D714-S726 WeakPolarHBondContact CB-OG 3.34Å; D714-S726 PolarHBondContact N-OG 2.77Å; D714-S726 PolarHBondContact O-N 2.89Å; S726-T728 WeakPolarHBondContact O-CG2 3.34Å; S726-T728 PolarHBondContact O-N 3.19Å; S726-R760 WeakPolarHBondContact CB-O 3.41Å; S726-R760 PolarHBondContact OG-O 3.24Å
727	D	97	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	78.8	-173.1	-173.7	12.4	0	0	0	110.4	F709 N710 R729 N730 H731 R732 Q734	F709-D727 WeakPolarHBondContact CA-OD1 3.37Å; F709-D727 HydrophobicContact CD1-CB 4.19Å; N710-D727 PolarHBondContact N-OD1 3.43Å; D727-R729 PolarHBondContact O-N 2.62Å; D727-N730 HydrophobicContact CB-CB 4.45Å; D727-N730 VanDerWaalsContact CG-ND2 3.32Å; D727-N730 PolarHBondContact O-N 2.85Å; D727-N730 PolarHBondContact OD1-ND2 3.19Å; D727-N730 VanDerWaalsContact OD1-ND2 3.16Å; D727-N730 WeakPolarHBondContact OD2-CB 3.34Å; D727-N730 PolarHBondContact OD2-ND2 3.4Å; D727-H731 PolarHBondContact O-N 2.66Å; D727-R732 HydrophobicContact CB-CG 3.88Å; D727-R732 WeakPolarHBondContact CB-O 3.5Å; D727-R732 PolarHBondContact N-O 3.29Å; D727-R732 IonicContact OD2-CZ 3.19Å; D727-R732 VanDerWaalsContact OD2-CZ 3.26Å; D727-R732 IonicContact OD2-NE 3.72Å; D727-R732 PolarHBondContact OD2-NE 3.28Å; D727-R732 IonicContact OD2-NH2 3.63Å; D727-R732 PolarHBondContact OD2-NH2 3.2Å; D727-Q734 PolarHBondContact OD2-NE2 2.89Å
728	T	93.9	Very high	95.7	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.055	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-20.3	-144.2	69.6	0	0	0	0	116.2	Y711 W713 S726 P759	Y711-T728 PolarHBondContact O-N 2.9Å; Y711-T728 PolarHBondContact O-OG1 2.97Å; W713-T728 HydrophobicContact CB-CG2 3.32Å; W713-T728 HydrophobicContact CG-CG2 4.31Å; S726-T728 WeakPolarHBondContact O-CG2 3.34Å; S726-T728 PolarHBondContact O-N 3.19Å; T728-P759 WeakPolarHBondContact CG2-O 3.21Å
729	R	93.9	Very high	95.6	Very high	169 Å²	169	34.3 Å²	34.3	64%	0.638	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	3.9	170.4	-63.8	-61.6	-159.3	141.5	6.7	113.5	N710 Y711 D727	N710-R729 HydrophobicContact CB-CB 3.85Å; N710-R729 VanDerWaalsContact CG-CB 3.44Å; N710-R729 WeakPolarHBondContact ND2-CB 3.49Å; N710-R729 WeakPolarHBondContact O-CB 3.49Å; N710-R729 PolarHBondContact O-N 3.03Å; Y711-R729 HydrophobicContact CD2-CB 4.33Å; Y711-R729 HydrophobicContact CD2-CG 3.62Å; Y711-R729 HydrophobicContact CE2-CG 4.39Å; Y711-R729 HydrophobicContact CG-CG 4.36Å; D727-R729 PolarHBondContact O-N 2.62Å
730	N	94.6	Very high	95.9	Very high	25 Å²	25	31 Å²	31	13%	0.134	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	11.1	171.7	-69	-20.8	0	0	0	112.2	G703 N710 D727 R732	G703-N730 PolarHBondContact O-ND2 3.24Å; N710-N730 VanDerWaalsContact CB-CG 3.45Å; N710-N730 WeakPolarHBondContact CB-ND2 3.36Å; N710-N730 WeakPolarHBondContact CB-OD1 3.43Å; N710-N730 PolarHBondContact N-ND2 3.45Å; N710-N730 PolarHBondContact ND2-OD1 3.05Å; D727-N730 HydrophobicContact CB-CB 4.45Å; D727-N730 VanDerWaalsContact CG-ND2 3.32Å; D727-N730 PolarHBondContact O-N 2.85Å; D727-N730 PolarHBondContact OD1-ND2 3.19Å; D727-N730 VanDerWaalsContact OD1-ND2 3.16Å; D727-N730 WeakPolarHBondContact OD2-CB 3.34Å; D727-N730 PolarHBondContact OD2-ND2 3.4Å; N730-R732 HydrophobicContact CB-CG 3.98Å; N730-R732 PolarHBondContact ND2-NH2 2.79Å; N730-R732 WeakPolarHBondContact O-CG 3.49Å; N730-R732 PolarHBondContact O-N 3.26Å
731	H	95.1	Very high	96.3	Very high	51 Å²	51	29 Å²	29	24%	0.236	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	37.2	173.4	-52	-72.1	0	0	0	113.7	D727 W753 D757	D727-H731 PolarHBondContact O-N 2.66Å; H731-W753 HydrophobicContact CB-CB 4.13Å; H731-W753 AromaticContact CE1-CE3 3.57Å; H731-W753 AromaticContact CE1-CZ3 3.75Å; H731-W753 AromaticContact ND1-CE3 3.6Å; H731-D757 IonicContact CE1-OD1 2.94Å; H731-D757 PolarHBondContact ND1-O 3.1Å; H731-D757 IonicContact ND1-OD1 2.75Å
732	R	95.8	Very high	96.5	Very high	18 Å²	18	31.5 Å²	31.5	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.3	-171.7	72	-170.9	-176.7	-175	1.3	113.7	T704 K705 Q708 D727 N730 Q734 Y746 P759	T704-R732 PolarHBondContact O-NH1 3.02Å; T704-R732 PolarHBondContact O-NH2 3.15Å; K705-R732 PolarHBondContact O-NH2 2.93Å; Q708-R732 PolarHBondContact O-NH2 3.44Å; D727-R732 HydrophobicContact CB-CG 3.88Å; D727-R732 WeakPolarHBondContact CB-O 3.5Å; D727-R732 PolarHBondContact N-O 3.29Å; D727-R732 IonicContact OD2-CZ 3.19Å; D727-R732 VanDerWaalsContact OD2-CZ 3.26Å; D727-R732 IonicContact OD2-NE 3.72Å; D727-R732 PolarHBondContact OD2-NE 3.28Å; D727-R732 IonicContact OD2-NH2 3.63Å; D727-R732 PolarHBondContact OD2-NH2 3.2Å; N730-R732 HydrophobicContact CB-CG 3.98Å; N730-R732 PolarHBondContact ND2-NH2 2.79Å; N730-R732 WeakPolarHBondContact O-CG 3.49Å; N730-R732 PolarHBondContact O-N 3.26Å; R732-Q734 HydrophobicContact CG-CG 4.4Å; R732-Q734 VanDerWaalsContact NH2-NE2 3.12Å; R732-Y746 CarbonylContact C-O 3.57Å; R732-Y746 WeakPolarHBondContact CA-O 3.43Å; R732-Y746 WeakPolarHBondContact CB-O 3.16Å; R732-P759 VanDerWaalsContact O-CG 3.31Å; R732-P759 WeakPolarHBondContact O-CG 3.37Å
733	V	97.8	Very high	96.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	152.3	157.6	-69.6	0	0	0	0	109.9	L724 V725 K745 Y746 F756 P759 V762 V772 I783	L724-V733 HydrophobicContact CD1-CB 3.95Å; L724-V733 HydrophobicContact CD1-CG2 4.23Å; V725-V733 VanDerWaalsContact O-CA 3.25Å; V725-V733 WeakPolarHBondContact O-CA 3.47Å; V725-V733 WeakPolarHBondContact O-CB 3.26Å; V733-K745 WeakPolarHBondContact O-CA 3.48Å; V733-Y746 PolarHBondContact N-O 2.99Å; V733-Y746 PolarHBondContact O-N 2.62Å; V733-F756 HydrophobicContact CG1-CE1 4.33Å; V733-F756 HydrophobicContact CG1-CZ 4Å; V733-F756 HydrophobicContact CG2-CE1 4.27Å; V733-F756 HydrophobicContact CG2-CZ 4.37Å; V733-P759 HydrophobicContact CG1-CB 4.03Å; V733-V762 HydrophobicContact CG1-CG1 4.05Å; V733-V772 HydrophobicContact CG1-CG1 3.99Å; V733-V772 HydrophobicContact CG1-CG2 4.03Å; V733-I783 HydrophobicContact CG2-CD1 3.89Å
734	Q	97.9	Very high	96.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.6	175.2	-67.6	-173.1	86.1	0	0	110.2	Q708 V725 D727 R732 F736 F742 K745	Q708-Q734 PolarHBondContact O-NE2 3.06Å; V725-Q734 PolarHBondContact N-O 2.87Å; V725-Q734 PolarHBondContact O-N 2.92Å; D727-Q734 PolarHBondContact OD2-NE2 2.89Å; R732-Q734 HydrophobicContact CG-CG 4.4Å; R732-Q734 VanDerWaalsContact NH2-NE2 3.12Å; Q734-F736 HydrophobicContact CB-CD2 4.38Å; Q734-F736 HydrophobicContact CB-CE2 3.43Å; Q734-F736 VanDerWaalsContact CB-CE2 3.43Å; Q734-F736 HydrophobicContact CB-CZ 3.75Å; Q734-F742 HydrophobicContact CB-CE2 4.36Å; Q734-F742 HydrophobicContact CG-CE2 4.19Å; Q734-K745 HydrophobicContact CG-CB 4.21Å
735	L	97.9	Very high	96.3	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.7	-178.8	-174.6	69.6	0	0	0	109.8	K722 I723 L724 L743 N744 F764	K722-L735 HydrophobicContact CB-CD1 4.2Å; I723-L735 CarbonylContact O-C 3.56Å; I723-L735 WeakPolarHBondContact O-CA 3.37Å; L724-L735 HydrophobicContact CB-CD1 4.23Å; L735-L743 WeakPolarHBondContact O-CB 3.43Å; L735-L743 PolarHBondContact O-N 3.03Å; L735-N744 HydrophobicContact CB-CB 4.42Å; L735-N744 PolarHBondContact N-O 3.11Å; L735-N744 PolarHBondContact O-N 2.83Å; L735-F764 HydrophobicContact CD1-CE1 4.03Å; L735-F764 HydrophobicContact CD1-CZ 3.77Å
736	F	98.3	Very high	96.1	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	160.9	-173.8	-59.6	-93.7	0	0	0	112.3	F699 F709 K722 I723 V725 Q734 G740 V741 F742	F699-F736 HydrophobicContact CD2-CD1 4.05Å; F699-F736 HydrophobicContact CD2-CE1 4.1Å; F699-F736 HydrophobicContact CD2-CG 4.48Å; F699-F736 HydrophobicContact CE2-CB 4.2Å; F699-F736 AromaticContact CE2-CD1 3.63Å; F699-F736 HydrophobicContact CE2-CD1 3.63Å; F699-F736 AromaticContact CE2-CD2 3.85Å; F699-F736 HydrophobicContact CE2-CD2 3.85Å; F699-F736 AromaticContact CE2-CE1 3.89Å; F699-F736 HydrophobicContact CE2-CE1 3.89Å; F699-F736 HydrophobicContact CE2-CE2 4.09Å; F699-F736 AromaticContact CE2-CG 3.62Å; F699-F736 HydrophobicContact CE2-CG 3.62Å; F699-F736 HydrophobicContact CE2-CZ 4.12Å; F699-F736 HydrophobicContact CZ-CB 4.28Å; F699-F736 HydrophobicContact CZ-CD1 4.49Å; F699-F736 HydrophobicContact CZ-CD2 4.39Å; F699-F736 HydrophobicContact CZ-CG 4.15Å; F709-F736 AromaticContact CE1-CE2 3.71Å; F709-F736 HydrophobicContact CE1-CE2 3.71Å; F709-F736 AromaticContact CE1-CZ 3.69Å; F709-F736 HydrophobicContact CE1-CZ 3.69Å; F709-F736 HydrophobicContact CE2-CZ 4.4Å; F709-F736 HydrophobicContact CZ-CE1 4.32Å; F709-F736 AromaticContact CZ-CE2 3.52Å; F709-F736 HydrophobicContact CZ-CE2 3.52Å; F709-F736 AromaticContact CZ-CZ 3.38Å; F709-F736 HydrophobicContact CZ-CZ 3.38Å; K722-F736 CarbonylContact C-O 3.31Å; K722-F736 VanDerWaalsContact CA-O 3.25Å; K722-F736 WeakPolarHBondContact CA-O 3.39Å; I723-F736 HydrophobicContact CB-CB 4.29Å; I723-F736 PolarHBondContact N-O 3.41Å; I723-F736 PolarHBondContact O-N 2.97Å; V725-F736 HydrophobicContact CB-CE2 4.39Å; V725-F736 HydrophobicContact CG2-CD2 4.15Å; V725-F736 HydrophobicContact CG2-CE2 4.06Å; Q734-F736 HydrophobicContact CB-CD2 4.38Å; Q734-F736 HydrophobicContact CB-CE2 3.43Å; Q734-F736 VanDerWaalsContact CB-CE2 3.43Å; Q734-F736 HydrophobicContact CB-CZ 3.75Å; F736-G740 WeakPolarHBondContact CD1-O 3.34Å; F736-V741 CarbonylContact C-O 3.58Å; F736-V741 WeakPolarHBondContact CA-O 3.32Å; F736-V741 WeakPolarHBondContact CB-O 3.38Å; F736-F742 HydrophobicContact CD1-CB 4.15Å; F736-F742 HydrophobicContact CE1-CB 3.99Å; F736-F742 HydrophobicContact CE1-CD2 4.03Å; F736-F742 HydrophobicContact CZ-CD2 4.26Å
737	G	96.8	Very high	95.7	Very high	5 Å²	5	40.1 Å²	40.1	5%	0.052	21%	0.209	C	C	.	.			trans	-72.9	170.1	166.8	0	0	0	0	0	113.1	D739 G740 V741	G737-D739 WeakPolarHBondContact CA-OD1 3.25Å; G737-D739 PolarHBondContact O-N 2.94Å; G737-D739 VanDerWaalsContact O-N 3.08Å; G737-G740 PolarHBondContact O-N 3.41Å; G737-V741 PolarHBondContact N-O 3.29Å
738	P	95	Very high	95.1	Very high	56 Å²	56	43.2 Å²	43.2	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.1	178.3	28.3	-36.1	0	0	0	114.6	R675 G721	R675-P738 PolarHBondContact NH1-O 3.47Å; G721-P738 VanDerWaalsContact O-CA 3.29Å; G721-P738 WeakPolarHBondContact O-CA 3.4Å; G721-P738 WeakPolarHBondContact O-CB 3.45Å
739	D	93.8	Very high	94.3	Very high	91 Å²	91	49.7 Å²	49.7	49%	0.487	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-12.4	177.3	59	-6.4	0	0	0	113.4	G737 V741	G737-D739 WeakPolarHBondContact CA-OD1 3.25Å; G737-D739 PolarHBondContact O-N 2.94Å; G737-D739 VanDerWaalsContact O-N 3.08Å; D739-V741 WeakPolarHBondContact OD1-CB 3.13Å; D739-V741 PolarHBondContact OD1-N 2.97Å; D739-V741 WeakPolarHBondContact OD2-CG2 3.46Å
740	G	94.6	Very high	93.3	Very high	15 Å²	15	44.5 Å²	44.5	16%	0.155	25%	0.251	C	S	.	.	S	Bend	trans	92.9	7.7	-174.4	0	0	0	0	0	115.7	F699 F736 G737	F699-G740 VanDerWaalsContact CD1-CA 3.47Å; F736-G740 WeakPolarHBondContact CD1-O 3.34Å; G737-G740 PolarHBondContact O-N 3.41Å
741	V	97	Very high	92.3	Very high	82 Å²	82	47.8 Å²	47.8	50%	0.497	28%	0.282	S	S	.	.			trans	-69	131.8	173	170.4	0	0	0	0	110	F736 G737 D739 L743	F736-V741 CarbonylContact C-O 3.58Å; F736-V741 WeakPolarHBondContact CA-O 3.32Å; F736-V741 WeakPolarHBondContact CB-O 3.38Å; G737-V741 PolarHBondContact N-O 3.29Å; D739-V741 WeakPolarHBondContact OD1-CB 3.13Å; D739-V741 PolarHBondContact OD1-N 2.97Å; D739-V741 WeakPolarHBondContact OD2-CG2 3.46Å; V741-L743 PolarHBondContact O-N 3.44Å
742	F	97.7	Very high	91.7	Very high	58 Å²	58	50 Å²	50	25%	0.254	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	128.5	177.4	174.5	-88.5	0	0	0	111.3	N706 Q734 F736 N744 K745	N706-F742 HydrophobicContact CB-CD1 3.97Å; N706-F742 HydrophobicContact CB-CD2 3.89Å; N706-F742 HydrophobicContact CB-CE1 3.88Å; N706-F742 HydrophobicContact CB-CE2 3.77Å; N706-F742 HydrophobicContact CB-CG 3.99Å; N706-F742 HydrophobicContact CB-CZ 3.77Å; N706-F742 VanDerWaalsContact ND2-CE1 3.31Å; N706-F742 WeakPolarHBondContact ND2-CE1 3.49Å; N706-F742 WeakPolarHBondContact ND2-CZ 3.36Å; Q734-F742 HydrophobicContact CB-CE2 4.36Å; Q734-F742 HydrophobicContact CG-CE2 4.19Å; F736-F742 HydrophobicContact CD1-CB 4.15Å; F736-F742 HydrophobicContact CE1-CB 3.99Å; F736-F742 HydrophobicContact CE1-CD2 4.03Å; F736-F742 HydrophobicContact CZ-CD2 4.26Å; F742-N744 VanDerWaalsContact CE2-O 3.26Å; F742-N744 WeakPolarHBondContact CE2-O 3.19Å; F742-N744 WeakPolarHBondContact CZ-O 3.43Å; F742-K745 HydrophobicContact CE2-CB 4.12Å; F742-K745 HydrophobicContact CZ-CB 3.99Å; F742-K745 HydrophobicContact CZ-CG 4.24Å
743	L	96.1	Very high	90.7	Very high	85 Å²	85	53.4 Å²	53.4	45%	0.445	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-53	177.5	-58.3	179	0	0	0	111.9	K722 L735 V741	K722-L743 HydrophobicContact CD-CD1 4.17Å; K722-L743 HydrophobicContact CG-CD1 4.12Å; L735-L743 WeakPolarHBondContact O-CB 3.43Å; L735-L743 PolarHBondContact O-N 3.03Å; V741-L743 PolarHBondContact O-N 3.44Å
744	N	95.9	Very high	89.8	Confident	50 Å²	50	59.7 Å²	59.7	27%	0.267	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	168.5	-173.2	-151.6	-12.3	0	0	0	112.4	L735 F742 D786 C787	L735-N744 HydrophobicContact CB-CB 4.42Å; L735-N744 PolarHBondContact N-O 3.11Å; L735-N744 PolarHBondContact O-N 2.83Å; F742-N744 VanDerWaalsContact CE2-O 3.26Å; F742-N744 WeakPolarHBondContact CE2-O 3.19Å; F742-N744 WeakPolarHBondContact CZ-O 3.43Å; N744-D786 PolarHBondContact ND2-O 2.85Å; N744-D786 VanDerWaalsContact ND2-O 3.13Å; N744-C787 WeakPolarHBondContact ND2-CB 3.46Å
745	K	95.6	Very high	89.1	Confident	60 Å²	60	64.2 Å²	64.2	26%	0.261	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.7	172.6	66.7	178.7	-179.1	-178	0	111	V733 Q734 F742 E749	V733-K745 WeakPolarHBondContact O-CA 3.48Å; Q734-K745 HydrophobicContact CG-CB 4.21Å; F742-K745 HydrophobicContact CE2-CB 4.12Å; F742-K745 HydrophobicContact CZ-CB 3.99Å; F742-K745 HydrophobicContact CZ-CG 4.24Å; K745-E749 IonicContact NZ-OE1 3.86Å; K745-E749 PolarHBondContact NZ-OE1 3.04Å
746	Y	95.6	Very high	88.6	Confident	21 Å²	21	63.5 Å²	63.5	8%	0.082	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.6	166.2	-173.6	-91.7	0	0	0	110.4	R732 V733 F748 F756 L781 I783 C787 A790	R732-Y746 CarbonylContact C-O 3.57Å; R732-Y746 WeakPolarHBondContact CA-O 3.43Å; R732-Y746 WeakPolarHBondContact CB-O 3.16Å; V733-Y746 PolarHBondContact N-O 2.99Å; V733-Y746 PolarHBondContact O-N 2.62Å; Y746-F748 HydrophobicContact CE1-CE2 4.4Å; Y746-F748 WeakPolarHBondContact OH-CZ 3.47Å; Y746-F756 HydrophobicContact CD1-CD1 4.17Å; Y746-F756 AromaticContact CD1-CE1 4Å; Y746-F756 HydrophobicContact CD1-CE1 4Å; Y746-F756 HydrophobicContact CE1-CD1 4.48Å; Y746-F756 WeakPolarHBondContact O-CE1 3.38Å; Y746-L781 HydrophobicContact CE1-CD2 3.88Å; Y746-I783 HydrophobicContact CD1-CD1 3.49Å; Y746-I783 VanDerWaalsContact CD1-CD1 3.49Å; Y746-I783 HydrophobicContact CD1-CG1 3.91Å; Y746-I783 HydrophobicContact CD1-CG2 4.2Å; Y746-I783 HydrophobicContact CD2-CG2 3.54Å; Y746-I783 HydrophobicContact CE1-CD1 4.15Å; Y746-I783 HydrophobicContact CE1-CG1 4.13Å; Y746-I783 HydrophobicContact CE2-CG2 4Å; Y746-I783 HydrophobicContact CG-CD1 3.84Å; Y746-I783 HydrophobicContact CG-CG1 4.21Å; Y746-I783 HydrophobicContact CG-CG2 3.65Å; Y746-C787 HydrophobicContact CD2-CB 4.33Å; Y746-C787 WeakPolarHBondContact CD2-O 3.31Å; Y746-A790 HydrophobicContact CE1-CB 4.16Å; Y746-A790 HydrophobicContact CE2-CB 4.28Å; Y746-A790 WeakPolarHBondContact OH-CB 3.37Å
747	G	90.2	Very high	88.2	Confident	30 Å²	30	64.8 Å²	64.8	31%	0.309	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	162.7	179.4	0	0	0	0	0	111.3
748	F	84.5	Confident	88.1	Confident	65 Å²	65	65 Å²	65	29%	0.285	36%	0.36	S	S	.	.			trans	-104	126.2	-172.8	-61.1	-79.2	0	0	0	111.8	Y746 L752 H755 F756	Y746-F748 HydrophobicContact CE1-CE2 4.4Å; Y746-F748 WeakPolarHBondContact OH-CZ 3.47Å; F748-L752 HydrophobicContact CB-CB 3.79Å; F748-L752 HydrophobicContact CD1-CB 4.36Å; F748-L752 HydrophobicContact CG-CB 4.26Å; F748-H755 HydrophobicContact CD2-CB 3.8Å; F748-H755 HydrophobicContact CE2-CB 3.71Å; F748-H755 HydrophobicContact CZ-CB 4.38Å; F748-F756 HydrophobicContact CD2-CB 3.83Å; F748-F756 HydrophobicContact CE2-CB 4Å
749	E	75.4	Confident	88.2	Confident	144 Å²	144	62.3 Å²	62.3	67%	0.673	34%	0.343	S	S	*	.			trans	-87.6	158.3	174.8	-62.1	-175	-176.9	0	0	111.4	K745	K745-E749 IonicContact NZ-OE1 3.86Å; K745-E749 PolarHBondContact NZ-OE1 3.04Å
750	G	73.1	Confident	88.3	Confident	60 Å²	60	58.7 Å²	58.7	62%	0.619	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	63	-153.8	-176.1	0	0	0	0	0	113.2	L752 W753	G750-L752 PolarHBondContact O-N 3.46Å; G750-W753 VanDerWaalsContact O-CD1 3.23Å; G750-W753 PolarHBondContact O-N 3.47Å
751	A	75	Confident	88.5	Confident	95 Å²	95	58 Å²	58	79%	0.785	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-62.3	-12.3	-171.9	0	0	0	0	0	115.3	W753	A751-W753 VanDerWaalsContact C-N 3.33Å; A751-W753 PolarHBondContact O-N 3.06Å
752	L	81	Confident	88.5	Confident	97 Å²	97	54.3 Å²	54.3	51%	0.508	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-79.6	-8.7	-178.8	-68.9	174.9	0	0	0	114.1	F748 G750 K754 H755	F748-L752 HydrophobicContact CB-CB 3.79Å; F748-L752 HydrophobicContact CD1-CB 4.36Å; F748-L752 HydrophobicContact CG-CB 4.26Å; G750-L752 PolarHBondContact O-N 3.46Å; L752-K754 PolarHBondContact O-N 2.93Å; L752-H755 WeakPolarHBondContact O-CB 3.22Å; L752-H755 PolarHBondContact O-N 3.22Å; L752-H755 PolarHBondContact O-ND1 3.5Å
753	W	74.8	Confident	88.5	Confident	90 Å²	90	52.8 Å²	52.8	34%	0.341	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-48.2	-31.8	-178.4	69.2	-103.3	0	0	0	114.3	H731 G750 A751 H755 F756 D757	H731-W753 HydrophobicContact CB-CB 4.13Å; H731-W753 AromaticContact CE1-CE3 3.57Å; H731-W753 AromaticContact CE1-CZ3 3.75Å; H731-W753 AromaticContact ND1-CE3 3.6Å; G750-W753 VanDerWaalsContact O-CD1 3.23Å; G750-W753 PolarHBondContact O-N 3.47Å; A751-W753 VanDerWaalsContact C-N 3.33Å; A751-W753 PolarHBondContact O-N 3.06Å; W753-H755 PolarHBondContact O-N 2.91Å; W753-H755 VanDerWaalsContact O-N 3.08Å; W753-F756 CarbonylContact O-C 3.59Å; W753-F756 PolarHBondContact O-N 2.73Å; W753-D757 HydrophobicContact CE3-CB 4.44Å; W753-D757 HydrophobicContact CZ3-CB 4.33Å
754	K	80.4	Confident	88.5	Confident	133 Å²	133	49.7 Å²	49.7	58%	0.578	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-59.7	-18	176.6	-66.8	-172.8	176.4	-175.4	0	114.6	L752 F756 N777	L752-K754 PolarHBondContact O-N 2.93Å; K754-F756 VanDerWaalsContact C-N 3.27Å; K754-F756 PolarHBondContact O-N 3.19Å; K754-N777 PolarHBondContact O-ND2 3.42Å; K754-N777 PolarHBondContact O-OD1 3.25Å
755	H	82.4	Confident	88.3	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.44	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-75.4	-15.5	173.9	-64.4	84.6	0	0	0	113	F748 L752 W753 R779	F748-H755 HydrophobicContact CD2-CB 3.8Å; F748-H755 HydrophobicContact CE2-CB 3.71Å; F748-H755 HydrophobicContact CZ-CB 4.38Å; L752-H755 WeakPolarHBondContact O-CB 3.22Å; L752-H755 PolarHBondContact O-N 3.22Å; L752-H755 PolarHBondContact O-ND1 3.5Å; W753-H755 PolarHBondContact O-N 2.91Å; W753-H755 VanDerWaalsContact O-N 3.08Å; H755-R779 PolarHBondContact O-NH2 2.99Å
756	F	88.3	Confident	87.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-147.3	75.3	173.6	-173.5	-135	0	0	0	109.1	V733 Y746 F748 W753 K754 P759 V772 D774 L781 I783	V733-F756 HydrophobicContact CG1-CE1 4.33Å; V733-F756 HydrophobicContact CG1-CZ 4Å; V733-F756 HydrophobicContact CG2-CE1 4.27Å; V733-F756 HydrophobicContact CG2-CZ 4.37Å; Y746-F756 HydrophobicContact CD1-CD1 4.17Å; Y746-F756 AromaticContact CD1-CE1 4Å; Y746-F756 HydrophobicContact CD1-CE1 4Å; Y746-F756 HydrophobicContact CE1-CD1 4.48Å; Y746-F756 WeakPolarHBondContact O-CE1 3.38Å; F748-F756 HydrophobicContact CD2-CB 3.83Å; F748-F756 HydrophobicContact CE2-CB 4Å; W753-F756 CarbonylContact O-C 3.59Å; W753-F756 PolarHBondContact O-N 2.73Å; K754-F756 VanDerWaalsContact C-N 3.27Å; K754-F756 PolarHBondContact O-N 3.19Å; F756-P759 HydrophobicContact CE1-CB 4.2Å; F756-P759 HydrophobicContact CE1-CG 4.12Å; F756-P759 HydrophobicContact CE2-CB 3.98Å; F756-P759 HydrophobicContact CZ-CB 3.66Å; F756-P759 HydrophobicContact CZ-CG 4.09Å; F756-V772 HydrophobicContact CE2-CB 4.45Å; F756-V772 HydrophobicContact CE2-CG1 3.93Å; F756-V772 HydrophobicContact CZ-CB 4.42Å; F756-V772 HydrophobicContact CZ-CG1 3.85Å; F756-D774 WeakPolarHBondContact CA-OD2 3.24Å; F756-L781 HydrophobicContact CD2-CD1 3.77Å; F756-L781 HydrophobicContact CD2-CD2 3.46Å; F756-L781 VanDerWaalsContact CD2-CD2 3.46Å; F756-L781 HydrophobicContact CD2-CG 4.26Å; F756-L781 HydrophobicContact CE2-CD1 3.88Å; F756-L781 HydrophobicContact CE2-CD2 3.63Å; F756-L781 HydrophobicContact CE2-CG 4.28Å; F756-L781 HydrophobicContact CG-CD2 4.1Å; F756-L781 HydrophobicContact CZ-CD2 4.37Å; F756-I783 HydrophobicContact CZ-CD1 4.4Å
757	D	90	Very high	87.3	Confident	29 Å²	29	56.3 Å²	56.3	16%	0.155	30%	0.303	C	S	.	.			trans	-77.8	-64.5	-162	178.7	-21.4	0	0	0	110.9	H731 W753 P759 D774 N776	H731-D757 IonicContact CE1-OD1 2.94Å; H731-D757 PolarHBondContact ND1-O 3.1Å; H731-D757 IonicContact ND1-OD1 2.75Å; W753-D757 HydrophobicContact CE3-CB 4.44Å; W753-D757 HydrophobicContact CZ3-CB 4.33Å; D757-P759 WeakPolarHBondContact O-CD 3.42Å; D757-D774 PolarHBondContact N-OD2 3.02Å; D757-N776 HydrophobicContact CB-CB 3.69Å; D757-N776 PolarHBondContact OD1-ND2 2.89Å; D757-N776 WeakPolarHBondContact OD2-CB 3.48Å; D757-N776 PolarHBondContact OD2-ND2 2.98Å
758	S	93.6	Very high	87.3	Confident	8 Å²	8	56 Å²	56	6%	0.056	30%	0.299	C	S	.	.			trans	-126.7	82.3	-177.5	172.8	0	0	0	0	110.6	R760 D774 F775	S758-R760 PolarHBondContact O-N 3.47Å; S758-R760 PolarHBondContact OG-NH2 2.82Å; S758-D774 PolarHBondContact N-OD1 3.06Å; S758-D774 VanDerWaalsContact N-OD1 3.11Å; S758-F775 WeakPolarHBondContact O-CB 3.3Å; S758-F775 PolarHBondContact O-N 2.95Å
759	P	96.4	Very high	87.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50	137.4	164.6	20	-30.1	0	0	0	110.2	T728 R732 V733 F756 D757 V772 T773	T728-P759 WeakPolarHBondContact CG2-O 3.21Å; R732-P759 VanDerWaalsContact O-CG 3.31Å; R732-P759 WeakPolarHBondContact O-CG 3.37Å; V733-P759 HydrophobicContact CG1-CB 4.03Å; F756-P759 HydrophobicContact CE1-CB 4.2Å; F756-P759 HydrophobicContact CE1-CG 4.12Å; F756-P759 HydrophobicContact CE2-CB 3.98Å; F756-P759 HydrophobicContact CZ-CB 3.66Å; F756-P759 HydrophobicContact CZ-CG 4.09Å; D757-P759 WeakPolarHBondContact O-CD 3.42Å; P759-V772 HydrophobicContact CB-CG1 3.89Å; P759-T773 CarbonylContact C-O 3.6Å; P759-T773 WeakPolarHBondContact CA-O 3.38Å
760	R	96.9	Very high	88.8	Confident	15 Å²	15	47.4 Å²	47.4	6%	0.057	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-84.1	-176	-179.1	68.5	67.2	-113.9	-14.6	110.9	W619 D714 S726 S758 T773 F775	W619-R760 HydrophobicContact CH2-CG 4.49Å; W619-R760 HydrophobicContact CZ2-CG 3.84Å; D714-R760 WeakPolarHBondContact CB-O 3.49Å; S726-R760 WeakPolarHBondContact CB-O 3.41Å; S726-R760 PolarHBondContact OG-O 3.24Å; S758-R760 PolarHBondContact O-N 3.47Å; S758-R760 PolarHBondContact OG-NH2 2.82Å; R760-T773 PolarHBondContact N-O 2.88Å; R760-F775 HydrophobicContact CB-CB 3.74Å; R760-F775 HydrophobicContact CG-CB 4.27Å; R760-F775 HydrophobicContact CG-CD2 4.45Å
761	G	97.7	Very high	89.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.5	175.9	0	0	0	0	0	111.5	D714 V772 T773 Q807	D714-G761 VanDerWaalsContact OD2-CA 3.22Å; D714-G761 WeakPolarHBondContact OD2-CA 3.4Å; G761-V772 WeakPolarHBondContact O-CA 3.42Å; G761-T773 PolarHBondContact N-OG1 2.85Å; G761-T773 PolarHBondContact O-N 3.01Å; G761-Q807 VanDerWaalsContact CA-O 3.3Å; G761-Q807 WeakPolarHBondContact CA-O 3.5Å; G761-Q807 PolarHBondContact N-O 2.71Å
762	V	98.3	Very high	91	Very high	5 Å²	5	40 Å²	40	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.4	179.4	-62.7	0	0	0	0	111.7	D714 A716 L724 V733 V771 V772	D714-V762 HydrophobicContact CB-CG2 4.04Å; D714-V762 PolarHBondContact OD2-N 3.34Å; A716-V762 HydrophobicContact CB-CG2 3.97Å; A716-V762 WeakPolarHBondContact CB-O 3.39Å; L724-V762 HydrophobicContact CD2-CB 3.82Å; L724-V762 HydrophobicContact CD2-CG1 4.41Å; L724-V762 HydrophobicContact CD2-CG2 4.47Å; L724-V762 HydrophobicContact CG-CB 4.01Å; L724-V762 HydrophobicContact CG-CG1 4.35Å; L724-V762 HydrophobicContact CG-CG2 4.29Å; V733-V762 HydrophobicContact CG1-CG1 4.05Å; V762-V771 CarbonylContact C-O 3.52Å; V762-V771 WeakPolarHBondContact CA-O 3.42Å; V762-V772 HydrophobicContact CG1-CG1 4.08Å; V762-V772 HydrophobicContact CG1-CG2 4.21Å
763	T	97.9	Very high	91.8	Very high	27 Å²	27	35.4 Å²	35.4	17%	0.166	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	173.4	170.2	-164.1	0	0	0	0	110.8	V771 V809 V811	T763-V771 HydrophobicContact CG2-CB 3.82Å; T763-V771 HydrophobicContact CG2-CG1 4.46Å; T763-V771 PolarHBondContact N-O 3.49Å; T763-V771 PolarHBondContact O-N 3.39Å; T763-V809 WeakPolarHBondContact CB-O 3.36Å; T763-V809 HydrophobicContact CG2-CG1 4.07Å; T763-V809 HydrophobicContact CG2-CG2 4.1Å; T763-V811 HydrophobicContact CG2-CG2 3.82Å
764	F	96.3	Very high	92.9	Very high	20 Å²	20	31.1 Å²	31.1	9%	0.088	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	149.2	172.3	-65.9	-92.3	0	0	0	109.6	A716 N718 L724 L735 H769 L770	A716-F764 HydrophobicContact CB-CD2 4.12Å; A716-F764 HydrophobicContact CB-CE2 4.17Å; N718-F764 HydrophobicContact CB-CB 4.34Å; N718-F764 HydrophobicContact CB-CD1 3.93Å; N718-F764 HydrophobicContact CB-CD2 3.69Å; N718-F764 HydrophobicContact CB-CE1 4.03Å; N718-F764 HydrophobicContact CB-CE2 3.81Å; N718-F764 HydrophobicContact CB-CG 3.74Å; N718-F764 HydrophobicContact CB-CZ 3.96Å; L724-F764 HydrophobicContact CB-CE1 4.41Å; L724-F764 HydrophobicContact CB-CE2 3.67Å; L724-F764 HydrophobicContact CB-CZ 3.55Å; L724-F764 HydrophobicContact CD2-CE2 4.41Å; L724-F764 HydrophobicContact CD2-CZ 4.39Å; L735-F764 HydrophobicContact CD1-CE1 4.03Å; L735-F764 HydrophobicContact CD1-CZ 3.77Å; F764-H769 WeakPolarHBondContact CA-O 3.41Å; F764-L770 HydrophobicContact CD1-CD2 3.78Å; F764-L770 HydrophobicContact CE1-CD2 3.45Å; F764-L770 VanDerWaalsContact CE1-CD2 3.45Å; F764-L770 HydrophobicContact CZ-CD2 4.38Å
765	N	92.1	Very high	93.6	Very high	26 Å²	26	26.9 Å²	26.9	14%	0.139	14%	0.135	C	C	.	.			trans	-94.9	177.7	160.8	84.6	-12.9	0	0	0	111.2	E767 G768 H769 V771 V811	N765-E767 PolarHBondContact ND2-OE2 3.05Å; N765-E767 PolarHBondContact O-N 3.41Å; N765-E767 WeakPolarHBondContact OD1-CA 3.35Å; N765-E767 WeakPolarHBondContact OD1-CB 3.37Å; N765-E767 PolarHBondContact OD1-N 3.26Å; N765-G768 PolarHBondContact O-N 3.41Å; N765-G768 PolarHBondContact OD1-N 3.24Å; N765-H769 PolarHBondContact N-O 3.33Å; N765-H769 VanDerWaalsContact OD1-CB 3.31Å; N765-H769 WeakPolarHBondContact OD1-CB 3.42Å; N765-H769 PolarHBondContact OD1-N 2.89Å; N765-V771 HydrophobicContact CB-CG2 4.31Å; N765-V811 HydrophobicContact CB-CG1 4.16Å; N765-V811 HydrophobicContact CB-CG2 4.25Å
766	H	84.9	Confident	94.1	Very high	107 Å²	107	25.1 Å²	25.1	50%	0.495	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22	-177.8	-52.5	-16.9	0	0	0	114.1	D812 Q813 E814 G815	H766-D812 PolarHBondContact CE1-O 3.42Å; H766-D812 PolarHBondContact NE2-O 2.88Å; H766-Q813 VanDerWaalsContact CE1-CA 3.44Å; H766-Q813 WeakPolarHBondContact CE1-CA 3.28Å; H766-Q813 WeakPolarHBondContact NE2-CA 3.24Å; H766-Q813 PolarHBondContact NE2-O 2.96Å; H766-E814 WeakPolarHBondContact NE2-CA 3.5Å; H766-E814 PolarHBondContact NE2-N 3.46Å; H766-G815 PolarHBondContact NE2-N 2.94Å
767	E	84.7	Confident	94.4	Very high	136 Å²	136	27.7 Å²	27.7	64%	0.636	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.5	176	-52.6	164.4	143.6	0	0	111.8	N765 H769	N765-E767 PolarHBondContact ND2-OE2 3.05Å; N765-E767 PolarHBondContact O-N 3.41Å; N765-E767 WeakPolarHBondContact OD1-CA 3.35Å; N765-E767 WeakPolarHBondContact OD1-CB 3.37Å; N765-E767 PolarHBondContact OD1-N 3.26Å; E767-H769 VanDerWaalsContact C-N 3.33Å; E767-H769 IonicContact OE2-CE1 3.78Å; E767-H769 PolarHBondContact OE2-CE1 3.11Å; E767-H769 VanDerWaalsContact OE2-CE1 3.29Å; E767-H769 IonicContact OE2-CG 3.68Å; E767-H769 IonicContact OE2-ND1 2.76Å; E767-H769 PolarHBondContact OE2-ND1 2.87Å
768	G	89.1	Confident	94.7	Very high	23 Å²	23	26.6 Å²	26.6	24%	0.237	14%	0.136	C	C	.	.			trans	82.5	6.3	-173	0	0	0	0	0	114.3	N765	N765-G768 PolarHBondContact O-N 3.41Å; N765-G768 PolarHBondContact OD1-N 3.24Å
769	H	94.5	Very high	94.8	Very high	27 Å²	27	28.6 Å²	28.6	13%	0.125	14%	0.143	C	C	.	.			trans	-70.9	142.1	176.5	-59.6	149.6	0	0	0	111.5	F764 N765 E767 V771 V782 I783 H784 A785	F764-H769 WeakPolarHBondContact CA-O 3.41Å; N765-H769 PolarHBondContact N-O 3.33Å; N765-H769 VanDerWaalsContact OD1-CB 3.31Å; N765-H769 WeakPolarHBondContact OD1-CB 3.42Å; N765-H769 PolarHBondContact OD1-N 2.89Å; E767-H769 VanDerWaalsContact C-N 3.33Å; E767-H769 IonicContact OE2-CE1 3.78Å; E767-H769 PolarHBondContact OE2-CE1 3.11Å; E767-H769 VanDerWaalsContact OE2-CE1 3.29Å; E767-H769 IonicContact OE2-CG 3.68Å; E767-H769 IonicContact OE2-ND1 2.76Å; E767-H769 PolarHBondContact OE2-ND1 2.87Å; H769-V771 PolarHBondContact O-N 3.49Å; H769-V782 HydrophobicContact CB-CG1 3.98Å; H769-I783 CarbonylContact C-O 3.59Å; H769-I783 WeakPolarHBondContact CA-O 3.19Å; H769-I783 WeakPolarHBondContact CB-O 3.37Å; H769-H784 AromaticContact CD2-CD2 3.79Å; H769-H784 AromaticContact CE1-CD2 3.59Å; H769-H784 AromaticContact CE1-NE2 3.85Å; H769-H784 AromaticContact NE2-CD2 3.12Å; H769-H784 PolarHBondContact NE2-CD2 2.94Å; H769-H784 AromaticContact NE2-CG 3.81Å; H769-H784 AromaticContact NE2-NE2 3.39Å; H769-H784 PolarHBondContact NE2-NE2 3.01Å; H769-A785 PolarHBondContact CD2-N 2.89Å
770	L	96.9	Very high	94.7	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.1	-175.9	-32.4	174.7	0	0	0	108.6	L724 F764 V772 I783	L724-L770 HydrophobicContact CD1-CB 4.48Å; L724-L770 HydrophobicContact CD1-CD1 3.99Å; L724-L770 HydrophobicContact CD1-CD2 4.39Å; L724-L770 HydrophobicContact CD2-CB 3.85Å; L724-L770 HydrophobicContact CD2-CD2 4.16Å; L724-L770 HydrophobicContact CD2-CG 4.47Å; F764-L770 HydrophobicContact CD1-CD2 3.78Å; F764-L770 HydrophobicContact CE1-CD2 3.45Å; F764-L770 VanDerWaalsContact CE1-CD2 3.45Å; F764-L770 HydrophobicContact CZ-CD2 4.38Å; L770-V772 HydrophobicContact CB-CG2 4.45Å; L770-I783 HydrophobicContact CB-CB 4.08Å; L770-I783 HydrophobicContact CB-CD1 4.36Å; L770-I783 HydrophobicContact CD1-CB 4.35Å; L770-I783 HydrophobicContact CD1-CG2 4.3Å; L770-I783 HydrophobicContact CG-CB 4.35Å; L770-I783 PolarHBondContact N-O 2.85Å; L770-I783 PolarHBondContact O-N 3.27Å
771	V	97.6	Very high	94.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.7	176.8	-172.4	0	0	0	0	108.8	V762 T763 N765 H769 L780 L781 V782 V809 V811 I817	V762-V771 CarbonylContact C-O 3.52Å; V762-V771 WeakPolarHBondContact CA-O 3.42Å; T763-V771 HydrophobicContact CG2-CB 3.82Å; T763-V771 HydrophobicContact CG2-CG1 4.46Å; T763-V771 PolarHBondContact N-O 3.49Å; T763-V771 PolarHBondContact O-N 3.39Å; N765-V771 HydrophobicContact CB-CG2 4.31Å; H769-V771 PolarHBondContact O-N 3.49Å; V771-L780 HydrophobicContact CG1-CD2 4.03Å; V771-L781 WeakPolarHBondContact CA-O 3.37Å; V771-V782 HydrophobicContact CG1-CG2 4.37Å; V771-V782 HydrophobicContact CG2-CG1 4.37Å; V771-V782 HydrophobicContact CG2-CG2 4.3Å; V771-V809 HydrophobicContact CG1-CG2 3.8Å; V771-V811 HydrophobicContact CG2-CG2 4.08Å; V771-I817 HydrophobicContact CG1-CD1 4.35Å; V771-I817 HydrophobicContact CG1-CG2 3.92Å
772	V	97.9	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138	-169.9	-172.7	0	0	0	0	110.8	V733 F756 P759 G761 V762 L770 L780 L781 I783	V733-V772 HydrophobicContact CG1-CG1 3.99Å; V733-V772 HydrophobicContact CG1-CG2 4.03Å; F756-V772 HydrophobicContact CE2-CB 4.45Å; F756-V772 HydrophobicContact CE2-CG1 3.93Å; F756-V772 HydrophobicContact CZ-CB 4.42Å; F756-V772 HydrophobicContact CZ-CG1 3.85Å; P759-V772 HydrophobicContact CB-CG1 3.89Å; G761-V772 WeakPolarHBondContact O-CA 3.42Å; V762-V772 HydrophobicContact CG1-CG1 4.08Å; V762-V772 HydrophobicContact CG1-CG2 4.21Å; L770-V772 HydrophobicContact CB-CG2 4.45Å; V772-L780 CarbonylContact O-C 3.56Å; V772-L780 WeakPolarHBondContact O-CA 3.35Å; V772-L781 PolarHBondContact N-O 3.45Å; V772-L781 PolarHBondContact O-N 3.2Å; V772-I783 HydrophobicContact CG2-CD1 3.8Å
773	T	97.7	Very high	94.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.7	170.5	63.8	0	0	0	0	111.1	P759 R760 G761 L780 P806 Q807 V809 V819	P759-T773 CarbonylContact C-O 3.6Å; P759-T773 WeakPolarHBondContact CA-O 3.38Å; R760-T773 PolarHBondContact N-O 2.88Å; G761-T773 PolarHBondContact N-OG1 2.85Å; G761-T773 PolarHBondContact O-N 3.01Å; T773-L780 HydrophobicContact CG2-CD1 3.84Å; T773-L780 HydrophobicContact CG2-CG 4.11Å; T773-P806 HydrophobicContact CG2-CB 4.11Å; T773-Q807 WeakPolarHBondContact CB-O 3.24Å; T773-Q807 VanDerWaalsContact CG2-O 3.31Å; T773-Q807 WeakPolarHBondContact CG2-O 3.41Å; T773-Q807 PolarHBondContact OG1-O 3.28Å; T773-V809 HydrophobicContact CG2-CB 3.79Å; T773-V809 HydrophobicContact CG2-CG1 3.85Å; T773-V819 HydrophobicContact CG2-CG1 4.32Å
774	D	96.6	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	105.8	167	-169.8	-26.2	0	0	0	109.3	F756 D757 S758 N776 N777 H778 R779 L781	F756-D774 WeakPolarHBondContact CA-OD2 3.24Å; D757-D774 PolarHBondContact N-OD2 3.02Å; S758-D774 PolarHBondContact N-OD1 3.06Å; S758-D774 VanDerWaalsContact N-OD1 3.11Å; D774-N776 VanDerWaalsContact C-N 3.27Å; D774-N776 PolarHBondContact O-N 3.24Å; D774-N776 PolarHBondContact OD1-N 2.97Å; D774-N777 HydrophobicContact CB-CB 4.22Å; D774-N777 PolarHBondContact OD1-N 3.41Å; D774-N777 WeakPolarHBondContact OD2-CB 3.44Å; D774-N777 PolarHBondContact OD2-ND2 3.3Å; D774-H778 WeakPolarHBondContact O-CA 3.48Å; D774-H778 PolarHBondContact O-N 3Å; D774-R779 HydrophobicContact CB-CG 4.2Å; D774-R779 PolarHBondContact N-O 3.19Å; D774-R779 PolarHBondContact O-N 2.99Å; D774-L781 HydrophobicContact CB-CD1 4.04Å
775	F	95.9	Very high	94	Very high	44 Å²	44	32.5 Å²	32.5	19%	0.193	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.5	-178.1	172.1	-86.9	0	0	0	113.3	S758 R760 R805	S758-F775 WeakPolarHBondContact O-CB 3.3Å; S758-F775 PolarHBondContact O-N 2.95Å; R760-F775 HydrophobicContact CB-CB 3.74Å; R760-F775 HydrophobicContact CG-CB 4.27Å; R760-F775 HydrophobicContact CG-CD2 4.45Å; F775-R805 HydrophobicContact CD2-CB 4.06Å; F775-R805 VanDerWaalsContact CE1-NH1 3.3Å; F775-R805 HydrophobicContact CE2-CB 3.77Å; F775-R805 HydrophobicContact CE2-CG 4.3Å; F775-R805 HydrophobicContact CZ-CB 4.38Å; F775-R805 HydrophobicContact CZ-CG 4.43Å; F775-R805 WeakPolarHBondContact O-CD 3.41Å; F775-R805 PolarHBondContact O-NH1 3.4Å
776	N	94.1	Very high	93.8	Very high	58 Å²	58	34.5 Å²	34.5	31%	0.31	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-31.3	179	-85.7	-6.9	0	0	0	112.7	D757 D774 H778 R805	D757-N776 HydrophobicContact CB-CB 3.69Å; D757-N776 PolarHBondContact OD1-ND2 2.89Å; D757-N776 WeakPolarHBondContact OD2-CB 3.48Å; D757-N776 PolarHBondContact OD2-ND2 2.98Å; D774-N776 VanDerWaalsContact C-N 3.27Å; D774-N776 PolarHBondContact O-N 3.24Å; D774-N776 PolarHBondContact OD1-N 2.97Å; N776-H778 PolarHBondContact O-CD2 2.99Å; N776-R805 PolarHBondContact OD1-NH1 2.98Å
777	N	94.3	Very high	94.1	Very high	53 Å²	53	29.9 Å²	29.9	28%	0.283	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.6	172	-69.5	-55.9	0	0	0	114.7	K754 D774 R779	K754-N777 PolarHBondContact O-ND2 3.42Å; K754-N777 PolarHBondContact O-OD1 3.25Å; D774-N777 HydrophobicContact CB-CB 4.22Å; D774-N777 PolarHBondContact OD1-N 3.41Å; D774-N777 WeakPolarHBondContact OD2-CB 3.44Å; D774-N777 PolarHBondContact OD2-ND2 3.3Å; N777-R779 VanDerWaalsContact C-N 3.33Å; N777-R779 HydrophobicContact CB-CG 3.95Å; N777-R779 PolarHBondContact O-N 3.22Å
778	H	96.2	Very high	94.3	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.028	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	43.3	172.5	-66.7	-147.1	0	0	0	113.5	D774 N776 S795 E796 F803 R805	D774-H778 WeakPolarHBondContact O-CA 3.48Å; D774-H778 PolarHBondContact O-N 3Å; N776-H778 PolarHBondContact O-CD2 2.99Å; H778-S795 CarbonylContact O-C 3.6Å; H778-S795 VanDerWaalsContact O-C 3.31Å; H778-E796 HydrophobicContact CB-CB 3.83Å; H778-E796 HydrophobicContact CB-CG 4.34Å; H778-E796 VanDerWaalsContact CE1-CD 3.48Å; H778-E796 IonicContact CE1-OE1 2.73Å; H778-E796 PolarHBondContact CE1-OE1 3.44Å; H778-E796 WeakPolarHBondContact ND1-CG 3.46Å; H778-E796 IonicContact ND1-OE1 3.88Å; H778-E796 PolarHBondContact ND1-OE1 3.26Å; H778-E796 IonicContact NE2-OE1 3.84Å; H778-F803 PolarHBondContact ND1-O 3.41Å; H778-R805 VanDerWaalsContact NE2-CD 3.29Å; H778-R805 WeakPolarHBondContact NE2-CD 3.43Å; H778-R805 PolarHBondContact NE2-NE 2.87Å
779	R	94.9	Very high	94.3	Very high	51 Å²	51	32.4 Å²	32.4	19%	0.192	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	170.4	-173.2	65.6	-174	-176.3	171	0.7	112.3	H755 D774 N777 L781 F792 L793	H755-R779 PolarHBondContact O-NH2 2.99Å; D774-R779 HydrophobicContact CB-CG 4.2Å; D774-R779 PolarHBondContact N-O 3.19Å; D774-R779 PolarHBondContact O-N 2.99Å; N777-R779 VanDerWaalsContact C-N 3.33Å; N777-R779 HydrophobicContact CB-CG 3.95Å; N777-R779 PolarHBondContact O-N 3.22Å; R779-L781 HydrophobicContact CG-CD1 4.46Å; R779-F792 VanDerWaalsContact NH2-CE1 3.27Å; R779-L793 WeakPolarHBondContact CB-O 3.39Å
780	L	95.4	Very high	94.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	154.2	168.1	-93.2	71.8	0	0	0	111.6	V771 V772 T773 F792 L793 F803 V809 I817 V819	V771-L780 HydrophobicContact CG1-CD2 4.03Å; V772-L780 CarbonylContact O-C 3.56Å; V772-L780 WeakPolarHBondContact O-CA 3.35Å; T773-L780 HydrophobicContact CG2-CD1 3.84Å; T773-L780 HydrophobicContact CG2-CG 4.11Å; L780-F792 WeakPolarHBondContact O-CA 3.47Å; L780-L793 HydrophobicContact CB-CB 3.98Å; L780-L793 PolarHBondContact N-O 3.35Å; L780-L793 PolarHBondContact O-N 3.48Å; L780-F803 HydrophobicContact CD1-CD2 4.49Å; L780-F803 HydrophobicContact CD1-CE1 4.29Å; L780-F803 HydrophobicContact CD1-CE2 3.88Å; L780-F803 HydrophobicContact CD1-CZ 3.77Å; L780-V809 HydrophobicContact CD2-CG2 4.14Å; L780-I817 HydrophobicContact CD2-CG2 3.58Å; L780-V819 HydrophobicContact CD1-CG1 3.87Å; L780-V819 HydrophobicContact CD1-CG2 3.88Å; L780-V819 HydrophobicContact CD2-CG2 3.61Å; L780-V819 HydrophobicContact CG-CG2 4.39Å
781	L	95.6	Very high	94	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.8	164.6	-72.7	77.2	0	0	0	108.4	Y746 F756 V771 V772 D774 R779 I783 A790 R791 F792	Y746-L781 HydrophobicContact CE1-CD2 3.88Å; F756-L781 HydrophobicContact CD2-CD1 3.77Å; F756-L781 HydrophobicContact CD2-CD2 3.46Å; F756-L781 VanDerWaalsContact CD2-CD2 3.46Å; F756-L781 HydrophobicContact CD2-CG 4.26Å; F756-L781 HydrophobicContact CE2-CD1 3.88Å; F756-L781 HydrophobicContact CE2-CD2 3.63Å; F756-L781 HydrophobicContact CE2-CG 4.28Å; F756-L781 HydrophobicContact CG-CD2 4.1Å; F756-L781 HydrophobicContact CZ-CD2 4.37Å; V771-L781 WeakPolarHBondContact CA-O 3.37Å; V772-L781 PolarHBondContact N-O 3.45Å; V772-L781 PolarHBondContact O-N 3.2Å; D774-L781 HydrophobicContact CB-CD1 4.04Å; R779-L781 HydrophobicContact CG-CD1 4.46Å; L781-I783 HydrophobicContact CB-CG1 4.1Å; L781-I783 HydrophobicContact CD2-CG1 4.44Å; L781-A790 HydrophobicContact CD2-CB 4.36Å; L781-R791 CarbonylContact C-O 3.58Å; L781-R791 WeakPolarHBondContact CA-O 3.35Å; L781-F792 HydrophobicContact CD1-CD1 4.03Å; L781-F792 HydrophobicContact CD1-CE1 4.03Å; L781-F792 HydrophobicContact CD2-CD1 4.27Å; L781-F792 HydrophobicContact CD2-CE1 3.62Å; L781-F792 HydrophobicContact CD2-CZ 4.23Å; L781-F792 HydrophobicContact CG-CD1 3.69Å; L781-F792 HydrophobicContact CG-CE1 3.57Å; L781-F792 HydrophobicContact CG-CZ 4.49Å
782	V	96	Very high	93.8	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	101.5	163.2	-177.6	0	0	0	0	106.3	H769 V771 A790 R791 L793 I817	H769-V782 HydrophobicContact CB-CG1 3.98Å; V771-V782 HydrophobicContact CG1-CG2 4.37Å; V771-V782 HydrophobicContact CG2-CG1 4.37Å; V771-V782 HydrophobicContact CG2-CG2 4.3Å; V782-A790 CarbonylContact O-C 3.47Å; V782-A790 WeakPolarHBondContact O-CA 3.42Å; V782-R791 HydrophobicContact CB-CB 4.45Å; V782-R791 PolarHBondContact N-O 2.78Å; V782-R791 PolarHBondContact O-N 3.39Å; V782-L793 HydrophobicContact CG2-CD1 4.04Å; V782-I817 HydrophobicContact CG2-CD1 4.1Å
783	I	95.7	Very high	93.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.9	-174.8	-51.7	160.4	0	0	0	108.2	V733 Y746 F756 H769 L770 V772 L781 A790	V733-I783 HydrophobicContact CG2-CD1 3.89Å; Y746-I783 HydrophobicContact CD1-CD1 3.49Å; Y746-I783 VanDerWaalsContact CD1-CD1 3.49Å; Y746-I783 HydrophobicContact CD1-CG1 3.91Å; Y746-I783 HydrophobicContact CD1-CG2 4.2Å; Y746-I783 HydrophobicContact CD2-CG2 3.54Å; Y746-I783 HydrophobicContact CE1-CD1 4.15Å; Y746-I783 HydrophobicContact CE1-CG1 4.13Å; Y746-I783 HydrophobicContact CE2-CG2 4Å; Y746-I783 HydrophobicContact CG-CD1 3.84Å; Y746-I783 HydrophobicContact CG-CG1 4.21Å; Y746-I783 HydrophobicContact CG-CG2 3.65Å; F756-I783 HydrophobicContact CZ-CD1 4.4Å; H769-I783 CarbonylContact C-O 3.59Å; H769-I783 WeakPolarHBondContact CA-O 3.19Å; H769-I783 WeakPolarHBondContact CB-O 3.37Å; L770-I783 HydrophobicContact CB-CB 4.08Å; L770-I783 HydrophobicContact CB-CD1 4.36Å; L770-I783 HydrophobicContact CD1-CB 4.35Å; L770-I783 HydrophobicContact CD1-CG2 4.3Å; L770-I783 HydrophobicContact CG-CB 4.35Å; L770-I783 PolarHBondContact N-O 2.85Å; L770-I783 PolarHBondContact O-N 3.27Å; V772-I783 HydrophobicContact CG2-CD1 3.8Å; L781-I783 HydrophobicContact CB-CG1 4.1Å; L781-I783 HydrophobicContact CD2-CG1 4.44Å; I783-A790 HydrophobicContact CB-CB 4.23Å; I783-A790 HydrophobicContact CG1-CB 3.85Å; I783-A790 HydrophobicContact CG2-CB 4.42Å
784	H	93.3	Very high	93.3	Very high	82 Å²	82	44.1 Å²	44.1	38%	0.38	24%	0.237	S	C	.	.			trans	-66.4	153	178.5	-152	-113.7	0	0	0	110.6	H769 D786 C787 S789	H769-H784 AromaticContact CD2-CD2 3.79Å; H769-H784 AromaticContact CE1-CD2 3.59Å; H769-H784 AromaticContact CE1-NE2 3.85Å; H769-H784 AromaticContact NE2-CD2 3.12Å; H769-H784 PolarHBondContact NE2-CD2 2.94Å; H769-H784 AromaticContact NE2-CG 3.81Å; H769-H784 AromaticContact NE2-NE2 3.39Å; H769-H784 PolarHBondContact NE2-NE2 3.01Å; H784-D786 IonicContact CE1-OD2 2.63Å; H784-D786 IonicContact CG-OD2 3.31Å; H784-D786 IonicContact ND1-OD1 2.66Å; H784-D786 IonicContact ND1-OD2 3.71Å; H784-D786 PolarHBondContact ND1-OD2 3.18Å; H784-D786 PolarHBondContact O-N 3.44Å; H784-D786 VanDerWaalsContact O-N 3.1Å; H784-C787 PolarHBondContact O-N 3.19Å; H784-S789 WeakPolarHBondContact CB-OG 3.48Å; H784-S789 PolarHBondContact N-O 3.42Å
785	A	89.7	Confident	93.2	Very high	50 Å²	50	47 Å²	47	41%	0.413	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24	-168	0	0	0	0	0	113.6	H769 C787	H769-A785 PolarHBondContact CD2-N 2.89Å; A785-C787 VanDerWaalsContact C-N 3.26Å; A785-C787 PolarHBondContact O-N 3.34Å
786	D	88.6	Confident	93.3	Very high	68 Å²	68	51 Å²	51	36%	0.364	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.4	173.5	55.2	41.1	0	0	0	115	N744 H784 Q788	N744-D786 PolarHBondContact ND2-O 2.85Å; N744-D786 VanDerWaalsContact ND2-O 3.13Å; H784-D786 IonicContact CE1-OD2 2.63Å; H784-D786 IonicContact CG-OD2 3.31Å; H784-D786 IonicContact ND1-OD1 2.66Å; H784-D786 IonicContact ND1-OD2 3.71Å; H784-D786 PolarHBondContact ND1-OD2 3.18Å; H784-D786 PolarHBondContact O-N 3.44Å; H784-D786 VanDerWaalsContact O-N 3.1Å; D786-Q788 HydrophobicContact CB-CG 4.01Å; D786-Q788 PolarHBondContact O-N 3.37Å; D786-Q788 PolarHBondContact O-NE2 3.29Å; D786-Q788 WeakPolarHBondContact OD1-CB 3.11Å; D786-Q788 PolarHBondContact OD1-N 2.98Å
787	C	90.8	Very high	93.4	Very high	10 Å²	10	48.9 Å²	48.9	7%	0.068	27%	0.269	C	S	.	.	S	Bend	trans	55.4	25.6	-171.9	-55.8	0	0	0	0	114.8	N744 Y746 H784 A785	N744-C787 WeakPolarHBondContact ND2-CB 3.46Å; Y746-C787 HydrophobicContact CD2-CB 4.33Å; Y746-C787 WeakPolarHBondContact CD2-O 3.31Å; H784-C787 PolarHBondContact O-N 3.19Å; A785-C787 VanDerWaalsContact C-N 3.26Å; A785-C787 PolarHBondContact O-N 3.34Å
788	Q	88.7	Confident	93.5	Very high	150 Å²	150	50.1 Å²	50.1	70%	0.701	28%	0.282	S	S	*	.	S	Bend	trans	-93.7	-32.5	175.6	-55.3	-51.4	-60.6	0	0	112.4	D786	D786-Q788 HydrophobicContact CB-CG 4.01Å; D786-Q788 PolarHBondContact O-N 3.37Å; D786-Q788 PolarHBondContact O-NE2 3.29Å; D786-Q788 WeakPolarHBondContact OD1-CB 3.11Å; D786-Q788 PolarHBondContact OD1-N 2.98Å
789	S	90.8	Very high	93.4	Very high	63 Å²	63	51.1 Å²	51.1	44%	0.441	29%	0.294	S	S	.	.			trans	-133.7	156.6	-175.9	72.1	0	0	0	0	112.8	H784	H784-S789 WeakPolarHBondContact CB-OG 3.48Å; H784-S789 PolarHBondContact N-O 3.42Å
790	A	92.3	Very high	93.5	Very high	24 Å²	24	53.1 Å²	53.1	20%	0.198	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.3	175.1	0	0	0	0	0	111.9	Y746 L781 V782 I783	Y746-A790 HydrophobicContact CE1-CB 4.16Å; Y746-A790 HydrophobicContact CE2-CB 4.28Å; Y746-A790 WeakPolarHBondContact OH-CB 3.37Å; L781-A790 HydrophobicContact CD2-CB 4.36Å; V782-A790 CarbonylContact O-C 3.47Å; V782-A790 WeakPolarHBondContact O-CA 3.42Å; I783-A790 HydrophobicContact CB-CB 4.23Å; I783-A790 HydrophobicContact CG1-CB 3.85Å; I783-A790 HydrophobicContact CG2-CB 4.42Å
791	R	92.4	Very high	93.4	Very high	100 Å²	100	53.8 Å²	53.8	38%	0.377	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.3	172.9	-176.6	174	70.7	114.1	-9.5	109.6	L781 V782 S832 N833	L781-R791 CarbonylContact C-O 3.58Å; L781-R791 WeakPolarHBondContact CA-O 3.35Å; V782-R791 HydrophobicContact CB-CB 4.45Å; V782-R791 PolarHBondContact N-O 2.78Å; V782-R791 PolarHBondContact O-N 3.39Å; R791-S832 PolarHBondContact NH2-O 3.1Å; R791-N833 PolarHBondContact NH1-O 3.18Å
792	F	92.8	Very high	93.5	Very high	81 Å²	81	57 Å²	57	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.4	179.1	-61.1	-88	0	0	0	111	R779 L780 L781	R779-F792 VanDerWaalsContact NH2-CE1 3.27Å; L780-F792 WeakPolarHBondContact O-CA 3.47Å; L781-F792 HydrophobicContact CD1-CD1 4.03Å; L781-F792 HydrophobicContact CD1-CE1 4.03Å; L781-F792 HydrophobicContact CD2-CD1 4.27Å; L781-F792 HydrophobicContact CD2-CE1 3.62Å; L781-F792 HydrophobicContact CD2-CZ 4.23Å; L781-F792 HydrophobicContact CG-CD1 3.69Å; L781-F792 HydrophobicContact CG-CE1 3.57Å; L781-F792 HydrophobicContact CG-CZ 4.49Å
793	L	93.4	Very high	93.6	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.147	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.7	-178	-76.6	177.5	0	0	0	112.4	R779 L780 V782 I817	R779-L793 WeakPolarHBondContact CB-O 3.39Å; L780-L793 HydrophobicContact CB-CB 3.98Å; L780-L793 PolarHBondContact N-O 3.35Å; L780-L793 PolarHBondContact O-N 3.48Å; V782-L793 HydrophobicContact CG2-CD1 4.04Å; L793-I817 HydrophobicContact CD1-CD1 4.14Å
794	G	92.9	Very high	93.7	Very high	42 Å²	42	58.6 Å²	58.6	43%	0.433	34%	0.338	S	S	.	.			trans	71.3	-178.3	179.7	0	0	0	0	0	114.9	G801	G794-G801 WeakPolarHBondContact CA-O 3.41Å
795	S	94.1	Very high	93.8	Very high	62 Å²	62	58.3 Å²	58.3	43%	0.434	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	174.1	-178.4	59.6	0	0	0	0	111.4	H778 G797 Q802 F803	H778-S795 CarbonylContact O-C 3.6Å; H778-S795 VanDerWaalsContact O-C 3.31Å; S795-G797 PolarHBondContact O-N 3.41Å; S795-Q802 CarbonylContact O-C 3.5Å; S795-Q802 WeakPolarHBondContact O-CA 3.31Å; S795-Q802 WeakPolarHBondContact O-CB 3.23Å; S795-F803 PolarHBondContact O-N 3.11Å
796	E	97.2	Very high	94.2	Very high	126 Å²	126	56 Å²	56	59%	0.589	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	132.7	175.1	179.9	159.3	-151.9	0	0	112.4	H778 F803 L804	H778-E796 HydrophobicContact CB-CB 3.83Å; H778-E796 HydrophobicContact CB-CG 4.34Å; H778-E796 VanDerWaalsContact CE1-CD 3.48Å; H778-E796 IonicContact CE1-OE1 2.73Å; H778-E796 PolarHBondContact CE1-OE1 3.44Å; H778-E796 WeakPolarHBondContact ND1-CG 3.46Å; H778-E796 IonicContact ND1-OE1 3.88Å; H778-E796 PolarHBondContact ND1-OE1 3.26Å; H778-E796 IonicContact NE2-OE1 3.84Å; E796-F803 WeakPolarHBondContact CA-O 3.26Å; E796-L804 HydrophobicContact CG-CD2 3.86Å
797	G	96.4	Very high	94.7	Very high	15 Å²	15	53.8 Å²	53.8	16%	0.155	30%	0.302	C	S	.	.	S	Bend	trans	149.4	-173.6	169.9	0	0	0	0	0	114.8	S795 Q802 F803 N824	S795-G797 PolarHBondContact O-N 3.41Å; G797-Q802 VanDerWaalsContact C-CB 3.47Å; G797-Q802 CarbonylContact O-C 3.53Å; G797-Q802 WeakPolarHBondContact O-CB 3.23Å; G797-F803 PolarHBondContact N-O 3.5Å; G797-F803 CarbonylContact O-C 3.51Å; G797-F803 VanDerWaalsContact O-C 3.23Å; G797-F803 PolarHBondContact O-N 2.86Å; G797-N824 PolarHBondContact O-ND2 2.85Å
798	S	95.4	Very high	95	Very high	79 Å²	79	53.4 Å²	53.4	55%	0.552	30%	0.299	S	S	*	.	S	Bend	trans	-109.6	-3.4	-176.5	59.3	0	0	0	0	114.3	N824 R826	S798-N824 WeakPolarHBondContact CA-OD1 3.22Å; S798-N824 WeakPolarHBondContact CB-OD1 3.09Å; S798-R826 PolarHBondContact O-NH1 3.4Å; S798-R826 PolarHBondContact O-NH2 3.26Å
799	G	96.1	Very high	95.4	Very high	27 Å²	27	46.5 Å²	46.5	28%	0.278	27%	0.268	S	S	.	.	S	Bend	trans	-66.4	177.5	173.1	0	0	0	0	0	113.6	Q802 R826	G799-Q802 PolarHBondContact O-N 3.38Å; G799-R826 PolarHBondContact O-NH2 2.78Å
800	N	95.9	Very high	95.8	Very high	93 Å²	93	43.8 Å²	43.8	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	133.6	172.1	-65.2	-3.2	0	0	0	109.2	Q802 F836 K839	N800-Q802 PolarHBondContact O-N 3.49Å; N800-F836 HydrophobicContact CB-CD1 3.93Å; N800-F836 HydrophobicContact CB-CD2 3.9Å; N800-F836 HydrophobicContact CB-CE1 3.94Å; N800-F836 HydrophobicContact CB-CE2 3.9Å; N800-F836 HydrophobicContact CB-CG 3.91Å; N800-F836 HydrophobicContact CB-CZ 3.92Å; N800-F836 WeakPolarHBondContact ND2-CE1 3.47Å; N800-K839 WeakPolarHBondContact OD1-CE 3.47Å; N800-K839 PolarHBondContact OD1-NZ 3.32Å
801	G	94	Very high	95.9	Very high	16 Å²	16	43.5 Å²	43.5	17%	0.165	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	3.3	-174.8	0	0	0	0	0	115.3	G794	G794-G801 WeakPolarHBondContact CA-O 3.41Å
802	Q	97.4	Very high	95.9	Very high	68 Å²	68	39 Å²	39	32%	0.318	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	150.8	166.9	-63.6	178.5	-22.6	0	0	109.9	S795 G797 G799 N800 R826 Q828	S795-Q802 CarbonylContact O-C 3.5Å; S795-Q802 WeakPolarHBondContact O-CA 3.31Å; S795-Q802 WeakPolarHBondContact O-CB 3.23Å; G797-Q802 VanDerWaalsContact C-CB 3.47Å; G797-Q802 CarbonylContact O-C 3.53Å; G797-Q802 WeakPolarHBondContact O-CB 3.23Å; G799-Q802 PolarHBondContact O-N 3.38Å; N800-Q802 PolarHBondContact O-N 3.49Å; Q802-R826 PolarHBondContact O-NH2 3.01Å; Q802-Q828 PolarHBondContact O-NE2 3.05Å
803	F	97.8	Very high	95.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.6	-178.1	-52.6	-79.6	0	0	0	112.2	H778 L780 S795 E796 G797 P806 V819 D821 F830	H778-F803 PolarHBondContact ND1-O 3.41Å; L780-F803 HydrophobicContact CD1-CD2 4.49Å; L780-F803 HydrophobicContact CD1-CE1 4.29Å; L780-F803 HydrophobicContact CD1-CE2 3.88Å; L780-F803 HydrophobicContact CD1-CZ 3.77Å; S795-F803 PolarHBondContact O-N 3.11Å; E796-F803 WeakPolarHBondContact CA-O 3.26Å; G797-F803 PolarHBondContact N-O 3.5Å; G797-F803 CarbonylContact O-C 3.51Å; G797-F803 VanDerWaalsContact O-C 3.23Å; G797-F803 PolarHBondContact O-N 2.86Å; F803-P806 HydrophobicContact CB-CB 4.33Å; F803-P806 HydrophobicContact CB-CG 4.2Å; F803-P806 HydrophobicContact CD1-CB 4.44Å; F803-P806 HydrophobicContact CG-CB 4.42Å; F803-V819 HydrophobicContact CD1-CG1 4.09Å; F803-V819 HydrophobicContact CE1-CB 3.98Å; F803-V819 HydrophobicContact CE1-CG1 3.7Å; F803-V819 HydrophobicContact CE1-CG2 4.25Å; F803-V819 HydrophobicContact CZ-CG1 4.43Å; F803-V819 HydrophobicContact CZ-CG2 4.43Å; F803-D821 WeakPolarHBondContact CA-OD1 3.4Å; F803-D821 HydrophobicContact CD1-CB 4.16Å; F803-F830 AromaticContact CE1-CE2 3.8Å; F803-F830 HydrophobicContact CE1-CE2 3.8Å; F803-F830 AromaticContact CE1-CZ 3.81Å; F803-F830 HydrophobicContact CE1-CZ 3.81Å; F803-F830 HydrophobicContact CE2-CZ 4.48Å; F803-F830 HydrophobicContact CZ-CE1 4.43Å; F803-F830 AromaticContact CZ-CE2 3.6Å; F803-F830 HydrophobicContact CZ-CE2 3.6Å; F803-F830 AromaticContact CZ-CZ 3.45Å; F803-F830 HydrophobicContact CZ-CZ 3.45Å; F803-F830 VanDerWaalsContact CZ-CZ 3.45Å
804	L	97.5	Very high	95.1	Very high	45 Å²	45	38.5 Å²	38.5	24%	0.236	23%	0.226	C	C	.	.	S	Bend	trans	-121.4	109.1	161.1	-64.3	-178.3	0	0	0	108.2	E796 D821 R823 N824	E796-L804 HydrophobicContact CG-CD2 3.86Å; L804-D821 PolarHBondContact N-OD1 3.09Å; L804-R823 HydrophobicContact CB-CB 3.54Å; L804-R823 WeakPolarHBondContact O-CB 3.35Å; L804-R823 PolarHBondContact O-N 3.46Å; L804-N824 WeakPolarHBondContact CD1-OD1 3.37Å; L804-N824 PolarHBondContact N-ND2 2.93Å; L804-N824 VanDerWaalsContact N-ND2 3.18Å
805	R	96.5	Very high	95	Very high	76 Å²	76	37 Å²	37	29%	0.287	21%	0.211	S	C	.	.	S	Bend	trans	53	64.4	178.4	-56.9	-59.7	178.4	159.6	-12.8	113.3	F775 N776 H778 S822 R823	F775-R805 HydrophobicContact CD2-CB 4.06Å; F775-R805 VanDerWaalsContact CE1-NH1 3.3Å; F775-R805 HydrophobicContact CE2-CB 3.77Å; F775-R805 HydrophobicContact CE2-CG 4.3Å; F775-R805 HydrophobicContact CZ-CB 4.38Å; F775-R805 HydrophobicContact CZ-CG 4.43Å; F775-R805 WeakPolarHBondContact O-CD 3.41Å; F775-R805 PolarHBondContact O-NH1 3.4Å; N776-R805 PolarHBondContact OD1-NH1 2.98Å; H778-R805 VanDerWaalsContact NE2-CD 3.29Å; H778-R805 WeakPolarHBondContact NE2-CD 3.43Å; H778-R805 PolarHBondContact NE2-NE 2.87Å; R805-S822 WeakPolarHBondContact O-CB 3.43Å; R805-R823 HydrophobicContact CB-CB 4.36Å; R805-R823 HydrophobicContact CB-CG 3.84Å; R805-R823 HydrophobicContact CG-CB 4.5Å; R805-R823 HydrophobicContact CG-CG 3.84Å
806	P	97.8	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	144.1	176.9	28.4	-34.9	0	0	0	111.2	T773 F803 V819 A820	T773-P806 HydrophobicContact CG2-CB 4.11Å; F803-P806 HydrophobicContact CB-CB 4.33Å; F803-P806 HydrophobicContact CB-CG 4.2Å; F803-P806 HydrophobicContact CD1-CB 4.44Å; F803-P806 HydrophobicContact CG-CB 4.42Å; P806-V819 HydrophobicContact CB-CG1 4.01Å; P806-A820 WeakPolarHBondContact CA-O 3.33Å
807	Q	98	Very high	95	Very high	23 Å²	23	29 Å²	29	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-113.7	-175.7	-65.1	-83.6	9.3	0	0	110.4	W619 G761 T773 A820 S822 S854	W619-Q807 HydrophobicContact CZ2-CB 4.04Å; G761-Q807 VanDerWaalsContact CA-O 3.3Å; G761-Q807 WeakPolarHBondContact CA-O 3.5Å; G761-Q807 PolarHBondContact N-O 2.71Å; T773-Q807 WeakPolarHBondContact CB-O 3.24Å; T773-Q807 VanDerWaalsContact CG2-O 3.31Å; T773-Q807 WeakPolarHBondContact CG2-O 3.41Å; T773-Q807 PolarHBondContact OG1-O 3.28Å; Q807-A820 HydrophobicContact CB-CB 4.25Å; Q807-A820 PolarHBondContact N-O 3.4Å; Q807-S822 VanDerWaalsContact CG-CB 3.43Å; Q807-S822 WeakPolarHBondContact CG-OG 3.48Å; Q807-S854 WeakPolarHBondContact CB-O 3.48Å
808	G	97.4	Very high	95	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	152.9	175.6	0	0	0	0	0	112.3	A820 S854 I856	G808-A820 PolarHBondContact O-N 3.29Å; G808-S854 VanDerWaalsContact CA-O 3.31Å; G808-S854 WeakPolarHBondContact CA-O 3.41Å; G808-S854 PolarHBondContact N-O 3Å; G808-I856 VanDerWaalsContact C-CG2 3.45Å
809	V	98.3	Very high	95.2	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.7	170.6	54.5	0	0	0	0	108.8	T763 V771 T773 L780 I817 I818 V819	T763-V809 WeakPolarHBondContact CB-O 3.36Å; T763-V809 HydrophobicContact CG2-CG1 4.07Å; T763-V809 HydrophobicContact CG2-CG2 4.1Å; V771-V809 HydrophobicContact CG1-CG2 3.8Å; T773-V809 HydrophobicContact CG2-CB 3.79Å; T773-V809 HydrophobicContact CG2-CG1 3.85Å; L780-V809 HydrophobicContact CD2-CG2 4.14Å; V809-I817 HydrophobicContact CG2-CG2 3.58Å; V809-I818 CarbonylContact C-O 3.58Å; V809-I818 VanDerWaalsContact CA-O 3.31Å; V809-I818 WeakPolarHBondContact CA-O 3.47Å; V809-V819 HydrophobicContact CG2-CG2 4.27Å
810	A	97.6	Very high	95.3	Very high	6 Å²	6	23.3 Å²	23.3	5%	0.05	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.8	171.7	0	0	0	0	0	109.7	I818 I856 V858	A810-I818 PolarHBondContact N-O 3.43Å; A810-I818 PolarHBondContact O-N 3.47Å; A810-I856 HydrophobicContact CB-CG2 4.09Å; A810-V858 HydrophobicContact CB-CG2 3.94Å
811	V	95.9	Very high	95.4	Very high	18 Å²	18	18.9 Å²	18.9	11%	0.109	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	135.4	168.7	175.4	0	0	0	0	108.1	T763 N765 V771 R816 I817	T763-V811 HydrophobicContact CG2-CG2 3.82Å; N765-V811 HydrophobicContact CB-CG1 4.16Å; N765-V811 HydrophobicContact CB-CG2 4.25Å; V771-V811 HydrophobicContact CG2-CG2 4.08Å; V811-R816 WeakPolarHBondContact CA-O 3.47Å; V811-I817 HydrophobicContact CG2-CG1 4.29Å
812	D	92.2	Very high	95.5	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.027	9%	0.088	C	C	.	.			trans	-92.1	-179.8	178.3	80.4	-0.7	0	0	0	113.4	Y595 H766 E814 G815 R816 I818 V858	Y595-D812 WeakPolarHBondContact CE2-OD2 3.36Å; Y595-D812 PolarHBondContact OH-OD2 2.88Å; H766-D812 PolarHBondContact CE1-O 3.42Å; H766-D812 PolarHBondContact NE2-O 2.88Å; D812-E814 PolarHBondContact O-N 3.36Å; D812-E814 VanDerWaalsContact O-N 3.08Å; D812-E814 WeakPolarHBondContact OD1-CA 3.25Å; D812-E814 PolarHBondContact OD1-N 3.05Å; D812-G815 PolarHBondContact O-N 3.42Å; D812-G815 PolarHBondContact OD1-N 3.48Å; D812-R816 PolarHBondContact N-O 3.23Å; D812-R816 VanDerWaalsContact N-O 3.09Å; D812-R816 WeakPolarHBondContact OD1-CB 3.35Å; D812-R816 PolarHBondContact OD1-N 3.47Å; D812-R816 IonicContact OD1-NE 3.94Å; D812-R816 IonicContact OD1-NH2 3.71Å; D812-R816 IonicContact OD2-CZ 3.45Å; D812-R816 VanDerWaalsContact OD2-CZ 3.22Å; D812-R816 IonicContact OD2-NE 2.66Å; D812-R816 PolarHBondContact OD2-NE 3.31Å; D812-R816 IonicContact OD2-NH2 2.59Å; D812-R816 PolarHBondContact OD2-NH2 3.28Å; D812-I818 HydrophobicContact CB-CD1 4.03Å; D812-V858 HydrophobicContact CB-CG1 4.02Å; D812-V858 HydrophobicContact CB-CG2 4.24Å
813	Q	84.9	Confident	95.5	Very high	63 Å²	63	21.5 Å²	21.5	29%	0.294	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-4.1	-177.5	-66.1	174.9	68.1	0	0	114.8	H766 P860	H766-Q813 VanDerWaalsContact CE1-CA 3.44Å; H766-Q813 WeakPolarHBondContact CE1-CA 3.28Å; H766-Q813 WeakPolarHBondContact NE2-CA 3.24Å; H766-Q813 PolarHBondContact NE2-O 2.96Å; Q813-P860 PolarHBondContact NE2-O 2.78Å
814	E	84.9	Confident	95.4	Very high	37 Å²	37	22.8 Å²	22.8	17%	0.173	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	9.1	172.2	-70.8	177.1	-110.6	0	0	112.3	L507 K510 G592 R593 H766 D812 R816	L507-E814 HydrophobicContact CD1-CG 3.33Å; K510-E814 WeakPolarHBondContact CE-OE2 3.05Å; K510-E814 IonicContact NZ-OE2 3.78Å; K510-E814 PolarHBondContact NZ-OE2 3.13Å; G592-E814 WeakPolarHBondContact CA-OE1 3.37Å; R593-E814 PolarHBondContact N-OE1 2.99Å; H766-E814 WeakPolarHBondContact NE2-CA 3.5Å; H766-E814 PolarHBondContact NE2-N 3.46Å; D812-E814 PolarHBondContact O-N 3.36Å; D812-E814 VanDerWaalsContact O-N 3.08Å; D812-E814 WeakPolarHBondContact OD1-CA 3.25Å; D812-E814 PolarHBondContact OD1-N 3.05Å; E814-R816 VanDerWaalsContact C-N 3.29Å; E814-R816 VanDerWaalsContact CD-CZ 3.45Å; E814-R816 PolarHBondContact O-N 3.39Å; E814-R816 IonicContact OE1-CZ 3.16Å; E814-R816 VanDerWaalsContact OE1-CZ 3.31Å; E814-R816 IonicContact OE1-NH1 3.18Å; E814-R816 PolarHBondContact OE1-NH1 3.34Å; E814-R816 VanDerWaalsContact OE1-NH1 3.07Å; E814-R816 IonicContact OE1-NH2 2.86Å; E814-R816 PolarHBondContact OE1-NH2 3.2Å; E814-R816 IonicContact OE2-CZ 2.77Å; E814-R816 IonicContact OE2-NH1 3.08Å; E814-R816 PolarHBondContact OE2-NH1 3.43Å; E814-R816 IonicContact OE2-NH2 2.76Å
815	G	89.9	Confident	95.4	Very high	11 Å²	11	21.5 Å²	21.5	11%	0.113	10%	0.098	C	C	.	.			trans	77.9	11.2	-179.8	0	0	0	0	0	113.8	H766 D812 S832	H766-G815 PolarHBondContact NE2-N 2.94Å; D812-G815 PolarHBondContact O-N 3.42Å; D812-G815 PolarHBondContact OD1-N 3.48Å; G815-S832 WeakPolarHBondContact O-CA 3.47Å; G815-S832 WeakPolarHBondContact O-CB 3.46Å
816	R	94.2	Very high	95.4	Very high	13 Å²	13	18.7 Å²	18.7	5%	0.049	9%	0.087	C	C	.	.			trans	-76.1	136.9	178.2	-65.7	179.7	-69.4	-114.1	-8.2	110.3	R593 V811 D812 E814 I829 F830	R593-R816 PolarHBondContact O-NH1 2.86Å; R593-R816 PolarHBondContact O-NH2 2.86Å; V811-R816 WeakPolarHBondContact CA-O 3.47Å; D812-R816 PolarHBondContact N-O 3.23Å; D812-R816 VanDerWaalsContact N-O 3.09Å; D812-R816 WeakPolarHBondContact OD1-CB 3.35Å; D812-R816 PolarHBondContact OD1-N 3.47Å; D812-R816 IonicContact OD1-NE 3.94Å; D812-R816 IonicContact OD1-NH2 3.71Å; D812-R816 IonicContact OD2-CZ 3.45Å; D812-R816 VanDerWaalsContact OD2-CZ 3.22Å; D812-R816 IonicContact OD2-NE 2.66Å; D812-R816 PolarHBondContact OD2-NE 3.31Å; D812-R816 IonicContact OD2-NH2 2.59Å; D812-R816 PolarHBondContact OD2-NH2 3.28Å; E814-R816 VanDerWaalsContact C-N 3.29Å; E814-R816 VanDerWaalsContact CD-CZ 3.45Å; E814-R816 PolarHBondContact O-N 3.39Å; E814-R816 IonicContact OE1-CZ 3.16Å; E814-R816 VanDerWaalsContact OE1-CZ 3.31Å; E814-R816 IonicContact OE1-NH1 3.18Å; E814-R816 PolarHBondContact OE1-NH1 3.34Å; E814-R816 VanDerWaalsContact OE1-NH1 3.07Å; E814-R816 IonicContact OE1-NH2 2.86Å; E814-R816 PolarHBondContact OE1-NH2 3.2Å; E814-R816 IonicContact OE2-CZ 2.77Å; E814-R816 IonicContact OE2-NH1 3.08Å; E814-R816 PolarHBondContact OE2-NH1 3.43Å; E814-R816 IonicContact OE2-NH2 2.76Å; R816-I829 HydrophobicContact CB-CG2 4.26Å; R816-F830 CarbonylContact C-O 3.48Å; R816-F830 WeakPolarHBondContact CA-O 3.27Å; R816-F830 VanDerWaalsContact CB-O 3.25Å; R816-F830 WeakPolarHBondContact CB-O 3.11Å
817	I	96.8	Very high	95.4	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.036	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.6	-177.1	-51.9	173.3	0	0	0	108.8	V771 L780 V782 L793 V809 V811 V819 I829 F830	V771-I817 HydrophobicContact CG1-CD1 4.35Å; V771-I817 HydrophobicContact CG1-CG2 3.92Å; L780-I817 HydrophobicContact CD2-CG2 3.58Å; V782-I817 HydrophobicContact CG2-CD1 4.1Å; L793-I817 HydrophobicContact CD1-CD1 4.14Å; V809-I817 HydrophobicContact CG2-CG2 3.58Å; V811-I817 HydrophobicContact CG2-CG1 4.29Å; I817-V819 HydrophobicContact CG2-CG2 4.04Å; I817-I829 CarbonylContact O-C 3.59Å; I817-I829 WeakPolarHBondContact O-CA 3.18Å; I817-F830 HydrophobicContact CB-CB 4.37Å; I817-F830 PolarHBondContact N-O 2.99Å; I817-F830 PolarHBondContact O-N 2.64Å
818	I	97.7	Very high	95.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.6	-175.1	-63.6	160.2	0	0	0	108.3	Y595 V809 A810 D812 V827 I829 I856 V858 I864	Y595-I818 HydrophobicContact CE2-CD1 4.06Å; V809-I818 CarbonylContact C-O 3.58Å; V809-I818 VanDerWaalsContact CA-O 3.31Å; V809-I818 WeakPolarHBondContact CA-O 3.47Å; A810-I818 PolarHBondContact N-O 3.43Å; A810-I818 PolarHBondContact O-N 3.47Å; D812-I818 HydrophobicContact CB-CD1 4.03Å; I818-V827 HydrophobicContact CG2-CG1 3.73Å; I818-I829 HydrophobicContact CG1-CB 4.44Å; I818-I829 HydrophobicContact CG1-CD1 4.28Å; I818-I829 HydrophobicContact CG1-CG1 4.08Å; I818-I829 HydrophobicContact CG1-CG2 3.88Å; I818-I829 HydrophobicContact CG2-CG1 4.44Å; I818-I856 HydrophobicContact CG2-CD1 3.64Å; I818-I856 HydrophobicContact CG2-CG1 4.18Å; I818-V858 HydrophobicContact CD1-CG2 3.59Å; I818-I864 HydrophobicContact CD1-CD1 3.98Å; I818-I864 HydrophobicContact CD1-CG1 4.24Å; I818-I864 HydrophobicContact CG1-CD1 4.42Å; I818-I864 HydrophobicContact CG2-CD1 4.06Å; I818-I864 HydrophobicContact CG2-CG2 4.02Å
819	V	98.2	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.5	-167.1	-173.7	0	0	0	0	111.8	T773 L780 F803 P806 V809 I817 D821 V827 Q828 F830	T773-V819 HydrophobicContact CG2-CG1 4.32Å; L780-V819 HydrophobicContact CD1-CG1 3.87Å; L780-V819 HydrophobicContact CD1-CG2 3.88Å; L780-V819 HydrophobicContact CD2-CG2 3.61Å; L780-V819 HydrophobicContact CG-CG2 4.39Å; F803-V819 HydrophobicContact CD1-CG1 4.09Å; F803-V819 HydrophobicContact CE1-CB 3.98Å; F803-V819 HydrophobicContact CE1-CG1 3.7Å; F803-V819 HydrophobicContact CE1-CG2 4.25Å; F803-V819 HydrophobicContact CZ-CG1 4.43Å; F803-V819 HydrophobicContact CZ-CG2 4.43Å; P806-V819 HydrophobicContact CB-CG1 4.01Å; V809-V819 HydrophobicContact CG2-CG2 4.27Å; I817-V819 HydrophobicContact CG2-CG2 4.04Å; V819-D821 PolarHBondContact O-N 3.4Å; V819-V827 WeakPolarHBondContact O-CA 3.47Å; V819-Q828 PolarHBondContact N-O 3.04Å; V819-Q828 PolarHBondContact O-N 3.01Å; V819-F830 HydrophobicContact CG2-CD2 4.2Å; V819-F830 HydrophobicContact CG2-CE2 4.05Å
820	A	98.1	Very high	95.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	102.3	169	0	0	0	0	0	110.8	P806 Q807 G808 S822 P853 S854 I856	P806-A820 WeakPolarHBondContact CA-O 3.33Å; Q807-A820 HydrophobicContact CB-CB 4.25Å; Q807-A820 PolarHBondContact N-O 3.4Å; G808-A820 PolarHBondContact O-N 3.29Å; A820-S822 PolarHBondContact O-N 2.81Å; A820-P853 HydrophobicContact CB-CB 4.12Å; A820-S854 WeakPolarHBondContact CB-O 3.46Å; A820-I856 HydrophobicContact CB-CD1 4.45Å
821	D	97.8	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	76.2	-175.7	-174.9	9.5	0	0	0	110.3	F803 L804 V819 R823 N824 H825 R826 Q828	F803-D821 WeakPolarHBondContact CA-OD1 3.4Å; F803-D821 HydrophobicContact CD1-CB 4.16Å; L804-D821 PolarHBondContact N-OD1 3.09Å; V819-D821 PolarHBondContact O-N 3.4Å; D821-R823 PolarHBondContact O-N 3.2Å; D821-N824 VanDerWaalsContact CG-ND2 3.31Å; D821-N824 CarbonylContact O-C 3.56Å; D821-N824 PolarHBondContact O-N 2.96Å; D821-N824 VanDerWaalsContact O-N 3.09Å; D821-N824 PolarHBondContact OD1-ND2 2.61Å; D821-N824 WeakPolarHBondContact OD2-CB 3.32Å; D821-N824 PolarHBondContact OD2-ND2 2.92Å; D821-H825 PolarHBondContact O-N 3.43Å; D821-H825 VanDerWaalsContact O-N 3.13Å; D821-R826 WeakPolarHBondContact CA-O 3.33Å; D821-R826 HydrophobicContact CB-CG 3.88Å; D821-R826 WeakPolarHBondContact CB-O 3.36Å; D821-R826 PolarHBondContact N-O 2.91Å; D821-R826 PolarHBondContact O-N 3.43Å; D821-R826 IonicContact OD2-CZ 3.07Å; D821-R826 VanDerWaalsContact OD2-CZ 3.22Å; D821-R826 IonicContact OD2-NE 2.91Å; D821-R826 PolarHBondContact OD2-NE 3.25Å; D821-R826 IonicContact OD2-NH2 2.64Å; D821-R826 PolarHBondContact OD2-NH2 3.09Å; D821-Q828 HydrophobicContact CB-CG 4.49Å; D821-Q828 PolarHBondContact OD2-NE2 3.24Å
822	S	96.8	Very high	94.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.2	-46.4	-155	-151.1	0	0	0	0	115.1	R805 Q807 A820 H825 R852 P853	R805-S822 WeakPolarHBondContact O-CB 3.43Å; Q807-S822 VanDerWaalsContact CG-CB 3.43Å; Q807-S822 WeakPolarHBondContact CG-OG 3.48Å; A820-S822 PolarHBondContact O-N 2.81Å; S822-H825 PolarHBondContact O-N 3.29Å; S822-R852 WeakPolarHBondContact O-CA 3.43Å; S822-R852 VanDerWaalsContact OG-C 3.27Å; S822-R852 VanDerWaalsContact OG-CA 3.29Å; S822-R852 WeakPolarHBondContact OG-CA 3.29Å; S822-R852 WeakPolarHBondContact OG-CB 3.37Å; S822-R852 PolarHBondContact OG-O 3.04Å; S822-P853 VanDerWaalsContact CB-O 3.32Å; S822-P853 WeakPolarHBondContact CB-O 3.44Å; S822-P853 PolarHBondContact OG-O 2.93Å
823	R	97	Very high	94.4	Very high	139 Å²	139	27.3 Å²	27.3	53%	0.525	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-86	-5.8	-179.6	-72.6	-71	-161.3	150.4	8.3	113.7	L804 R805 D821 H825	L804-R823 HydrophobicContact CB-CB 3.54Å; L804-R823 WeakPolarHBondContact O-CB 3.35Å; L804-R823 PolarHBondContact O-N 3.46Å; R805-R823 HydrophobicContact CB-CB 4.36Å; R805-R823 HydrophobicContact CB-CG 3.84Å; R805-R823 HydrophobicContact CG-CB 4.5Å; R805-R823 HydrophobicContact CG-CG 3.84Å; D821-R823 PolarHBondContact O-N 3.2Å; R823-H825 PolarHBondContact O-CD2 3.03Å; R823-H825 VanDerWaalsContact O-CD2 3.24Å
824	N	97.1	Very high	94.6	Very high	29 Å²	29	25 Å²	25	16%	0.155	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-93.1	3	162.2	-72.1	-49.7	0	0	0	112.2	G797 S798 L804 D821 R826	G797-N824 PolarHBondContact O-ND2 2.85Å; S798-N824 WeakPolarHBondContact CA-OD1 3.22Å; S798-N824 WeakPolarHBondContact CB-OD1 3.09Å; L804-N824 WeakPolarHBondContact CD1-OD1 3.37Å; L804-N824 PolarHBondContact N-ND2 2.93Å; L804-N824 VanDerWaalsContact N-ND2 3.18Å; D821-N824 VanDerWaalsContact CG-ND2 3.31Å; D821-N824 CarbonylContact O-C 3.56Å; D821-N824 PolarHBondContact O-N 2.96Å; D821-N824 VanDerWaalsContact O-N 3.09Å; D821-N824 PolarHBondContact OD1-ND2 2.61Å; D821-N824 WeakPolarHBondContact OD2-CB 3.32Å; D821-N824 PolarHBondContact OD2-ND2 2.92Å; N824-R826 VanDerWaalsContact C-N 3.28Å; N824-R826 HydrophobicContact CB-CG 3.85Å; N824-R826 PolarHBondContact ND2-NH2 3.08Å; N824-R826 PolarHBondContact O-N 3.01Å
825	H	97	Very high	94.9	Very high	17 Å²	17	26 Å²	26	8%	0.079	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	40.4	174.2	-55.7	-100.1	0	0	0	113.8	D821 S822 R823 G841 A842 Q843 M850 D851	D821-H825 PolarHBondContact O-N 3.43Å; D821-H825 VanDerWaalsContact O-N 3.13Å; S822-H825 PolarHBondContact O-N 3.29Å; R823-H825 PolarHBondContact O-CD2 3.03Å; R823-H825 VanDerWaalsContact O-CD2 3.24Å; H825-G841 CarbonylContact O-C 3.6Å; H825-A842 CarbonylContact O-C 3.56Å; H825-A842 PolarHBondContact O-N 3.33Å; H825-Q843 HydrophobicContact CB-CB 3.75Å; H825-Q843 HydrophobicContact CB-CG 4.4Å; H825-Q843 PolarHBondContact CE1-NE2 2.94Å; H825-M850 VanDerWaalsContact O-CG 3.27Å; H825-M850 WeakPolarHBondContact O-CG 3.48Å; H825-D851 IonicContact CE1-OD1 2.73Å; H825-D851 PolarHBondContact CE1-OD1 2.75Å; H825-D851 IonicContact ND1-OD1 3.86Å; H825-D851 PolarHBondContact ND1-OD1 3.35Å
826	R	96.3	Very high	95.2	Very high	18 Å²	18	28.4 Å²	28.4	7%	0.068	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	167.3	-171.9	70.1	-171.3	-177.2	-172.8	4	112.3	S798 G799 Q802 D821 N824 Q828 F840 P853	S798-R826 PolarHBondContact O-NH1 3.4Å; S798-R826 PolarHBondContact O-NH2 3.26Å; G799-R826 PolarHBondContact O-NH2 2.78Å; Q802-R826 PolarHBondContact O-NH2 3.01Å; D821-R826 WeakPolarHBondContact CA-O 3.33Å; D821-R826 HydrophobicContact CB-CG 3.88Å; D821-R826 WeakPolarHBondContact CB-O 3.36Å; D821-R826 PolarHBondContact N-O 2.91Å; D821-R826 PolarHBondContact O-N 3.43Å; D821-R826 IonicContact OD2-CZ 3.07Å; D821-R826 VanDerWaalsContact OD2-CZ 3.22Å; D821-R826 IonicContact OD2-NE 2.91Å; D821-R826 PolarHBondContact OD2-NE 3.25Å; D821-R826 IonicContact OD2-NH2 2.64Å; D821-R826 PolarHBondContact OD2-NH2 3.09Å; N824-R826 VanDerWaalsContact C-N 3.28Å; N824-R826 HydrophobicContact CB-CG 3.85Å; N824-R826 PolarHBondContact ND2-NH2 3.08Å; N824-R826 PolarHBondContact O-N 3.01Å; R826-Q828 HydrophobicContact CG-CG 4.46Å; R826-Q828 VanDerWaalsContact NH2-NE2 3.13Å; R826-F840 CarbonylContact C-O 3.34Å; R826-F840 VanDerWaalsContact CA-O 3.3Å; R826-F840 WeakPolarHBondContact CA-O 3.25Å; R826-F840 VanDerWaalsContact CB-O 3.3Å; R826-F840 WeakPolarHBondContact CB-O 3.36Å; R826-P853 WeakPolarHBondContact O-CG 3.41Å
827	V	97.3	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.8	163.3	175.5	0	0	0	0	108.7	I818 V819 K839 F840 M850 I856 V866	I818-V827 HydrophobicContact CG2-CG1 3.73Å; V819-V827 WeakPolarHBondContact O-CA 3.47Å; V827-K839 CarbonylContact O-C 3.57Å; V827-K839 WeakPolarHBondContact O-CA 3.17Å; V827-K839 WeakPolarHBondContact O-CB 3.33Å; V827-F840 HydrophobicContact CB-CD1 4.11Å; V827-F840 HydrophobicContact CB-CE1 3.6Å; V827-F840 HydrophobicContact CB-CE2 4.04Å; V827-F840 HydrophobicContact CB-CZ 3.57Å; V827-F840 HydrophobicContact CG1-CD1 4.37Å; V827-F840 HydrophobicContact CG1-CE1 3.54Å; V827-F840 HydrophobicContact CG1-CZ 3.71Å; V827-F840 HydrophobicContact CG2-CE1 4.47Å; V827-F840 HydrophobicContact CG2-CE2 4.17Å; V827-F840 HydrophobicContact CG2-CZ 3.94Å; V827-F840 PolarHBondContact N-O 3.16Å; V827-F840 PolarHBondContact O-N 2.99Å; V827-M850 HydrophobicContact CG2-CE 4.48Å; V827-M850 HydrophobicContact CG2-SD 4.38Å; V827-I856 HydrophobicContact CB-CD1 4.39Å; V827-I856 HydrophobicContact CG1-CD1 3.69Å; V827-I856 HydrophobicContact CG2-CD1 3.71Å; V827-V866 HydrophobicContact CG2-CG1 4.25Å; V827-V866 HydrophobicContact CG2-CG2 4.05Å
828	Q	97.3	Very high	95	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144	171.3	-67.1	-169.2	83.7	0	0	110.3	Q802 V819 D821 R826 F830 F836 K839	Q802-Q828 PolarHBondContact O-NE2 3.05Å; V819-Q828 PolarHBondContact N-O 3.04Å; V819-Q828 PolarHBondContact O-N 3.01Å; D821-Q828 HydrophobicContact CB-CG 4.49Å; D821-Q828 PolarHBondContact OD2-NE2 3.24Å; R826-Q828 HydrophobicContact CG-CG 4.46Å; R826-Q828 VanDerWaalsContact NH2-NE2 3.13Å; Q828-F830 HydrophobicContact CB-CE2 3.6Å; Q828-F830 HydrophobicContact CB-CZ 3.89Å; Q828-F836 HydrophobicContact CB-CE2 4.43Å; Q828-F836 HydrophobicContact CG-CE2 4.24Å; Q828-F836 VanDerWaalsContact OE1-CE2 3.29Å; Q828-K839 HydrophobicContact CG-CB 3.95Å
829	I	96.7	Very high	94.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.7	178.5	-48.7	-172.7	0	0	0	109.4	Y595 R816 I817 I818 L837 C838 F840 I864	Y595-I829 HydrophobicContact CD1-CD1 4.13Å; Y595-I829 HydrophobicContact CD2-CD1 3.47Å; Y595-I829 VanDerWaalsContact CD2-CD1 3.47Å; Y595-I829 HydrophobicContact CD2-CG2 3.93Å; Y595-I829 HydrophobicContact CE2-CD1 4.04Å; Y595-I829 HydrophobicContact CE2-CG2 4.27Å; Y595-I829 HydrophobicContact CG-CD1 3.51Å; R816-I829 HydrophobicContact CB-CG2 4.26Å; I817-I829 CarbonylContact O-C 3.59Å; I817-I829 WeakPolarHBondContact O-CA 3.18Å; I818-I829 HydrophobicContact CG1-CB 4.44Å; I818-I829 HydrophobicContact CG1-CD1 4.28Å; I818-I829 HydrophobicContact CG1-CG1 4.08Å; I818-I829 HydrophobicContact CG1-CG2 3.88Å; I818-I829 HydrophobicContact CG2-CG1 4.44Å; I829-L837 HydrophobicContact CG2-CD2 4.11Å; I829-L837 WeakPolarHBondContact O-CB 3.25Å; I829-L837 PolarHBondContact O-N 3.02Å; I829-C838 PolarHBondContact N-O 3.2Å; I829-C838 PolarHBondContact O-N 3.48Å; I829-F840 HydrophobicContact CD1-CE1 4.18Å; I829-F840 HydrophobicContact CG1-CE1 4.49Å; I829-I864 HydrophobicContact CD1-CD1 3.58Å
830	F	95.3	Very high	94.7	Very high	12 Å²	12	35.6 Å²	35.6	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.5	-178.8	-57.2	-93.6	0	0	0	110.3	F803 R816 I817 V819 Q828 S835 F836	F803-F830 AromaticContact CE1-CE2 3.8Å; F803-F830 HydrophobicContact CE1-CE2 3.8Å; F803-F830 AromaticContact CE1-CZ 3.81Å; F803-F830 HydrophobicContact CE1-CZ 3.81Å; F803-F830 HydrophobicContact CE2-CZ 4.48Å; F803-F830 HydrophobicContact CZ-CE1 4.43Å; F803-F830 AromaticContact CZ-CE2 3.6Å; F803-F830 HydrophobicContact CZ-CE2 3.6Å; F803-F830 AromaticContact CZ-CZ 3.45Å; F803-F830 HydrophobicContact CZ-CZ 3.45Å; F803-F830 VanDerWaalsContact CZ-CZ 3.45Å; R816-F830 CarbonylContact C-O 3.48Å; R816-F830 WeakPolarHBondContact CA-O 3.27Å; R816-F830 VanDerWaalsContact CB-O 3.25Å; R816-F830 WeakPolarHBondContact CB-O 3.11Å; I817-F830 HydrophobicContact CB-CB 4.37Å; I817-F830 PolarHBondContact N-O 2.99Å; I817-F830 PolarHBondContact O-N 2.64Å; V819-F830 HydrophobicContact CG2-CD2 4.2Å; V819-F830 HydrophobicContact CG2-CE2 4.05Å; Q828-F830 HydrophobicContact CB-CE2 3.6Å; Q828-F830 HydrophobicContact CB-CZ 3.89Å; F830-S835 CarbonylContact C-O 3.59Å; F830-S835 VanDerWaalsContact CA-O 3.3Å; F830-S835 WeakPolarHBondContact CA-O 3.22Å; F830-F836 HydrophobicContact CD1-CB 4.16Å; F830-F836 HydrophobicContact CE1-CB 4.01Å; F830-F836 HydrophobicContact CE1-CD2 4.04Å; F830-F836 HydrophobicContact CZ-CD2 4.28Å
831	E	92.7	Very high	94.5	Very high	56 Å²	56	37 Å²	37	26%	0.262	20%	0.197	S	C	.	.			trans	-64.2	162.2	164.7	-65.2	-59.9	161.3	0	0	110.9	N833 G834 S835	E831-N833 WeakPolarHBondContact CB-OD1 3.13Å; E831-N833 PolarHBondContact O-N 3.31Å; E831-G834 WeakPolarHBondContact O-CA 3.25Å; E831-G834 PolarHBondContact O-N 2.99Å; E831-S835 PolarHBondContact N-O 3.2Å
832	S	88.8	Confident	94.2	Very high	67 Å²	67	39.5 Å²	39.5	47%	0.469	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.5	179.6	58.1	0	0	0	0	113	R791 G815 G834	R791-S832 PolarHBondContact NH2-O 3.1Å; G815-S832 WeakPolarHBondContact O-CA 3.47Å; G815-S832 WeakPolarHBondContact O-CB 3.46Å; S832-G834 PolarHBondContact O-N 2.9Å; S832-G834 VanDerWaalsContact O-N 3.14Å
833	N	87.1	Confident	94.2	Very high	104 Å²	104	45.6 Å²	45.6	56%	0.556	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-7.2	172.5	71.4	7.3	0	0	0	113.7	R791 E831 S835	R791-N833 PolarHBondContact NH1-O 3.18Å; E831-N833 WeakPolarHBondContact CB-OD1 3.13Å; E831-N833 PolarHBondContact O-N 3.31Å; N833-S835 WeakPolarHBondContact OD1-CB 3.23Å; N833-S835 PolarHBondContact OD1-N 3.05Å; N833-S835 PolarHBondContact OD1-OG 3.21Å
834	G	89.3	Confident	94	Very high	15 Å²	15	40 Å²	40	16%	0.155	23%	0.232	C	C	.	.	S	Bend	trans	87.6	3.6	-179.8	0	0	0	0	0	115.8	E831 S832	E831-G834 WeakPolarHBondContact O-CA 3.25Å; E831-G834 PolarHBondContact O-N 2.99Å; S832-G834 PolarHBondContact O-N 2.9Å; S832-G834 VanDerWaalsContact O-N 3.14Å
835	S	92.8	Very high	93.8	Very high	56 Å²	56	42.5 Å²	42.5	39%	0.392	25%	0.251	S	S	.	.			trans	-72.2	136.3	173.2	64.5	0	0	0	0	111	F830 E831 N833 L837	F830-S835 CarbonylContact C-O 3.59Å; F830-S835 VanDerWaalsContact CA-O 3.3Å; F830-S835 WeakPolarHBondContact CA-O 3.22Å; E831-S835 PolarHBondContact N-O 3.2Å; N833-S835 WeakPolarHBondContact OD1-CB 3.23Å; N833-S835 PolarHBondContact OD1-N 3.05Å; N833-S835 PolarHBondContact OD1-OG 3.21Å; S835-L837 PolarHBondContact O-N 2.78Å
836	F	94.6	Very high	93.5	Very high	63 Å²	63	43.1 Å²	43.1	28%	0.276	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.2	176.7	174.2	-89.2	0	0	0	111.3	N800 Q828 F830 C838 K839	N800-F836 HydrophobicContact CB-CD1 3.93Å; N800-F836 HydrophobicContact CB-CD2 3.9Å; N800-F836 HydrophobicContact CB-CE1 3.94Å; N800-F836 HydrophobicContact CB-CE2 3.9Å; N800-F836 HydrophobicContact CB-CG 3.91Å; N800-F836 HydrophobicContact CB-CZ 3.92Å; N800-F836 WeakPolarHBondContact ND2-CE1 3.47Å; Q828-F836 HydrophobicContact CB-CE2 4.43Å; Q828-F836 HydrophobicContact CG-CE2 4.24Å; Q828-F836 VanDerWaalsContact OE1-CE2 3.29Å; F830-F836 HydrophobicContact CD1-CB 4.16Å; F830-F836 HydrophobicContact CE1-CB 4.01Å; F830-F836 HydrophobicContact CE1-CD2 4.04Å; F830-F836 HydrophobicContact CZ-CD2 4.28Å; F836-C838 WeakPolarHBondContact CE2-O 3.37Å; F836-K839 HydrophobicContact CE2-CB 3.96Å; F836-K839 HydrophobicContact CE2-CD 4.31Å; F836-K839 HydrophobicContact CE2-CG 4.43Å; F836-K839 HydrophobicContact CZ-CB 3.88Å; F836-K839 HydrophobicContact CZ-CD 4.01Å; F836-K839 HydrophobicContact CZ-CG 3.98Å
837	L	93.5	Very high	93	Very high	49 Å²	49	49.1 Å²	49.1	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-59.7	176.2	174	62.5	0	0	0	111	Y595 I596 I829 S835	Y595-L837 HydrophobicContact CD2-CD2 4.5Å; I596-L837 HydrophobicContact CG1-CD1 4.44Å; I829-L837 HydrophobicContact CG2-CD2 4.11Å; I829-L837 WeakPolarHBondContact O-CB 3.25Å; I829-L837 PolarHBondContact O-N 3.02Å; S835-L837 PolarHBondContact O-N 2.78Å
838	C	94.4	Very high	92.4	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	174.1	-178	66.8	0	0	0	0	112.7	I829 F836	I829-C838 PolarHBondContact N-O 3.2Å; I829-C838 PolarHBondContact O-N 3.48Å; F836-C838 WeakPolarHBondContact CE2-O 3.37Å
839	K	94.9	Very high	92.2	Very high	92 Å²	92	53 Å²	53	40%	0.4	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.7	174.5	71	-170.2	-175.2	-173	0	111	N800 V827 Q828 F836	N800-K839 WeakPolarHBondContact OD1-CE 3.47Å; N800-K839 PolarHBondContact OD1-NZ 3.32Å; V827-K839 CarbonylContact O-C 3.57Å; V827-K839 WeakPolarHBondContact O-CA 3.17Å; V827-K839 WeakPolarHBondContact O-CB 3.33Å; Q828-K839 HydrophobicContact CG-CB 3.95Å; F836-K839 HydrophobicContact CE2-CB 3.96Å; F836-K839 HydrophobicContact CE2-CD 4.31Å; F836-K839 HydrophobicContact CE2-CG 4.43Å; F836-K839 HydrophobicContact CZ-CB 3.88Å; F836-K839 HydrophobicContact CZ-CD 4.01Å; F836-K839 HydrophobicContact CZ-CG 3.98Å
840	F	95	Very high	92.1	Very high	10 Å²	10	53 Å²	53	4%	0.044	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	165.6	177.7	66.5	-85.1	0	0	0	112.1	I598 R826 V827 I829 M850 I864 F877	I598-F840 HydrophobicContact CD1-CE1 4.06Å; I598-F840 HydrophobicContact CD1-CZ 4.21Å; I598-F840 HydrophobicContact CG1-CD1 4.46Å; I598-F840 HydrophobicContact CG1-CE1 4.44Å; I598-F840 HydrophobicContact CG2-CB 4.22Å; I598-F840 HydrophobicContact CG2-CD1 3.46Å; I598-F840 VanDerWaalsContact CG2-CD1 3.46Å; I598-F840 HydrophobicContact CG2-CE1 3.99Å; I598-F840 HydrophobicContact CG2-CG 3.98Å; R826-F840 CarbonylContact C-O 3.34Å; R826-F840 VanDerWaalsContact CA-O 3.3Å; R826-F840 WeakPolarHBondContact CA-O 3.25Å; R826-F840 VanDerWaalsContact CB-O 3.3Å; R826-F840 WeakPolarHBondContact CB-O 3.36Å; V827-F840 HydrophobicContact CB-CD1 4.11Å; V827-F840 HydrophobicContact CB-CE1 3.6Å; V827-F840 HydrophobicContact CB-CE2 4.04Å; V827-F840 HydrophobicContact CB-CZ 3.57Å; V827-F840 HydrophobicContact CG1-CD1 4.37Å; V827-F840 HydrophobicContact CG1-CE1 3.54Å; V827-F840 HydrophobicContact CG1-CZ 3.71Å; V827-F840 HydrophobicContact CG2-CE1 4.47Å; V827-F840 HydrophobicContact CG2-CE2 4.17Å; V827-F840 HydrophobicContact CG2-CZ 3.94Å; V827-F840 PolarHBondContact N-O 3.16Å; V827-F840 PolarHBondContact O-N 2.99Å; I829-F840 HydrophobicContact CD1-CE1 4.18Å; I829-F840 HydrophobicContact CG1-CE1 4.49Å; F840-M850 HydrophobicContact CD2-CE 4.47Å; F840-M850 HydrophobicContact CE2-CE 4.39Å; F840-I864 HydrophobicContact CE1-CD1 4.02Å; F840-I864 HydrophobicContact CZ-CD1 4.13Å; F840-I864 HydrophobicContact CZ-CG2 4.41Å; F840-F877 AromaticContact CD2-CD1 3.91Å; F840-F877 HydrophobicContact CD2-CD1 3.91Å; F840-F877 AromaticContact CD2-CE1 3.84Å; F840-F877 HydrophobicContact CD2-CE1 3.84Å; F840-F877 HydrophobicContact CD2-CG 4.29Å; F840-F877 HydrophobicContact CD2-CZ 4.16Å; F840-F877 HydrophobicContact CE2-CB 4.18Å; F840-F877 AromaticContact CE2-CD1 3.66Å; F840-F877 HydrophobicContact CE2-CD1 3.66Å; F840-F877 AromaticContact CE2-CD2 3.61Å; F840-F877 HydrophobicContact CE2-CD2 3.61Å; F840-F877 AromaticContact CE2-CE1 3.78Å; F840-F877 HydrophobicContact CE2-CE1 3.78Å; F840-F877 AromaticContact CE2-CE2 3.73Å; F840-F877 HydrophobicContact CE2-CE2 3.73Å; F840-F877 AromaticContact CE2-CG 3.58Å; F840-F877 HydrophobicContact CE2-CG 3.58Å; F840-F877 AromaticContact CE2-CZ 3.82Å; F840-F877 HydrophobicContact CE2-CZ 3.82Å; F840-F877 HydrophobicContact CZ-CB 4.38Å; F840-F877 HydrophobicContact CZ-CD2 4.23Å; F840-F877 HydrophobicContact CZ-CG 4.21Å
841	G	92.3	Very high	92.2	Very high	29 Å²	29	53.7 Å²	53.7	30%	0.299	31%	0.314	S	S	.	.			trans	93	153.9	-173.6	0	0	0	0	0	113.4	H825	H825-G841 CarbonylContact O-C 3.6Å
842	A	92.4	Very high	92.4	Very high	53 Å²	53	55.5 Å²	55.5	44%	0.438	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	159.9	175.4	0	0	0	0	0	109.9	H825 G844 Q849 M850	H825-A842 CarbonylContact O-C 3.56Å; H825-A842 PolarHBondContact O-N 3.33Å; A842-G844 PolarHBondContact O-N 2.94Å; A842-Q849 CarbonylContact O-C 3.45Å; A842-Q849 WeakPolarHBondContact O-CA 3.5Å; A842-Q849 WeakPolarHBondContact O-CB 3.49Å; A842-M850 PolarHBondContact O-N 3.49Å
843	Q	95.6	Very high	92.8	Very high	129 Å²	129	52.3 Å²	52.3	60%	0.603	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	130.4	-179.3	-174.9	171.7	15.1	0	0	112.5	H825 M850	H825-Q843 HydrophobicContact CB-CB 3.75Å; H825-Q843 HydrophobicContact CB-CG 4.4Å; H825-Q843 PolarHBondContact CE1-NE2 2.94Å; Q843-M850 WeakPolarHBondContact CA-O 3.43Å
844	G	94.1	Very high	93.3	Very high	22 Å²	22	47.4 Å²	47.4	23%	0.227	27%	0.27	C	S	.	.	S	Bend	trans	147.2	-165.9	169.5	0	0	0	0	0	113.5	A842 M850 N871	A842-G844 PolarHBondContact O-N 2.94Å; G844-M850 PolarHBondContact N-O 3.33Å; G844-M850 CarbonylContact O-C 3.58Å; G844-M850 PolarHBondContact O-N 2.89Å; G844-N871 PolarHBondContact O-ND2 3.07Å
845	S	92.6	Very high	93.7	Very high	80 Å²	80	46.9 Å²	46.9	56%	0.559	26%	0.264	S	S	*	.	S	Bend	trans	-117.6	-5.3	-178.3	59.9	0	0	0	0	113.9	N871 R873	S845-N871 WeakPolarHBondContact CA-OD1 3.39Å; S845-N871 WeakPolarHBondContact CB-OD1 3.41Å; S845-R873 PolarHBondContact O-NH1 2.89Å; S845-R873 PolarHBondContact O-NH2 2.88Å
846	G	89.9	Confident	93.9	Very high	30 Å²	30	44.7 Å²	44.7	31%	0.309	25%	0.248	S	C	.	.	S	Bend	trans	-68.3	-176.5	177.1	0	0	0	0	0	114	Q849 R873	G846-Q849 PolarHBondContact O-N 3.26Å; G846-R873 PolarHBondContact O-NH2 2.8Å
847	F	86.8	Confident	94.1	Very high	145 Å²	145	42.1 Å²	42.1	64%	0.636	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	130.6	175.9	-166.2	-105.7	0	0	0	110.4	L600 P601 Q849	L600-F847 HydrophobicContact CB-CE1 4.17Å; L600-F847 HydrophobicContact CD2-CD1 4.16Å; L600-F847 HydrophobicContact CD2-CE1 4.1Å; P601-F847 HydrophobicContact CG-CD2 4.15Å; P601-F847 HydrophobicContact CG-CE1 4.37Å; P601-F847 HydrophobicContact CG-CE2 3.84Å; P601-F847 HydrophobicContact CG-CZ 3.97Å; P601-F847 WeakPolarHBondContact O-CZ 3.48Å; F847-Q849 PolarHBondContact O-N 3.05Å
848	G	83.8	Confident	94.2	Very high	10 Å²	10	41.1 Å²	41.1	10%	0.103	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	-3.2	-172.9	0	0	0	0	0	115.9
849	Q	93.9	Very high	94.1	Very high	71 Å²	71	41 Å²	41	33%	0.332	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	159.7	172.7	-64.5	179.5	-21.9	0	0	111.7	A842 G846 F847 R873	A842-Q849 CarbonylContact O-C 3.45Å; A842-Q849 WeakPolarHBondContact O-CA 3.5Å; A842-Q849 WeakPolarHBondContact O-CB 3.49Å; G846-Q849 PolarHBondContact O-N 3.26Å; F847-Q849 PolarHBondContact O-N 3.05Å; Q849-R873 PolarHBondContact O-NH2 2.89Å
850	M	95.3	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.1	178.8	53.7	-174.5	69.8	0	0	111.5	H825 V827 F840 A842 Q843 G844 P853 D868 L875 F877	H825-M850 VanDerWaalsContact O-CG 3.27Å; H825-M850 WeakPolarHBondContact O-CG 3.48Å; V827-M850 HydrophobicContact CG2-CE 4.48Å; V827-M850 HydrophobicContact CG2-SD 4.38Å; F840-M850 HydrophobicContact CD2-CE 4.47Å; F840-M850 HydrophobicContact CE2-CE 4.39Å; A842-M850 PolarHBondContact O-N 3.49Å; Q843-M850 WeakPolarHBondContact CA-O 3.43Å; G844-M850 PolarHBondContact N-O 3.33Å; G844-M850 CarbonylContact O-C 3.58Å; G844-M850 PolarHBondContact O-N 2.89Å; M850-P853 HydrophobicContact CG-CG 4.34Å; M850-P853 HydrophobicContact SD-CB 3.81Å; M850-P853 HydrophobicContact SD-CG 3.63Å; M850-D868 WeakPolarHBondContact CA-OD1 3.36Å; M850-L875 HydrophobicContact CB-CD1 4.38Å; M850-F877 HydrophobicContact CE-CE2 4.13Å; M850-F877 HydrophobicContact CE-CZ 3.74Å
851	D	96.6	Very high	93.1	Very high	26 Å²	26	43 Å²	43	14%	0.139	25%	0.25	C	S	.	.	S	Bend	trans	-112.5	113.4	166.8	-177.4	38.4	0	0	0	110.1	H825 D868 F869 G870 N871	H825-D851 IonicContact CE1-OD1 2.73Å; H825-D851 PolarHBondContact CE1-OD1 2.75Å; H825-D851 IonicContact ND1-OD1 3.86Å; H825-D851 PolarHBondContact ND1-OD1 3.35Å; D851-D868 PolarHBondContact N-OD1 3.1Å; D851-F869 PolarHBondContact O-N 3.37Å; D851-G870 PolarHBondContact O-N 3.35Å; D851-N871 PolarHBondContact N-ND2 2.73Å
852	R	96.9	Very high	93	Very high	94 Å²	94	41.8 Å²	41.8	36%	0.355	24%	0.238	S	C	.	.	S	Bend	trans	55.5	62	177	-64.7	164	-124.8	-167.3	-0.6	113.2	S822 S854 F869	S822-R852 WeakPolarHBondContact O-CA 3.43Å; S822-R852 VanDerWaalsContact OG-C 3.27Å; S822-R852 VanDerWaalsContact OG-CA 3.29Å; S822-R852 WeakPolarHBondContact OG-CA 3.29Å; S822-R852 WeakPolarHBondContact OG-CB 3.37Å; S822-R852 PolarHBondContact OG-O 3.04Å; R852-S854 PolarHBondContact O-N 3.23Å; R852-S854 PolarHBondContact O-OG 3.4Å; R852-S854 VanDerWaalsContact O-OG 3.07Å; R852-F869 HydrophobicContact CB-CB 4.3Å; R852-F869 HydrophobicContact CB-CD1 4.38Å; R852-F869 WeakPolarHBondContact O-CB 3.46Å
853	P	97.6	Very high	93	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.3	133.4	171.4	23.9	-35.4	0	0	0	110	A820 S822 R826 M850 V866 V867	A820-P853 HydrophobicContact CB-CB 4.12Å; S822-P853 VanDerWaalsContact CB-O 3.32Å; S822-P853 WeakPolarHBondContact CB-O 3.44Å; S822-P853 PolarHBondContact OG-O 2.93Å; R826-P853 WeakPolarHBondContact O-CG 3.41Å; M850-P853 HydrophobicContact CG-CG 4.34Å; M850-P853 HydrophobicContact SD-CB 3.81Å; M850-P853 HydrophobicContact SD-CG 3.63Å; P853-V866 HydrophobicContact CB-CG1 3.71Å; P853-V867 WeakPolarHBondContact CA-O 3.16Å
854	S	97.4	Very high	93	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	-105.1	-167.8	-76.6	0	0	0	0	111.5	Q807 G808 A820 R852 V867 F869	Q807-S854 WeakPolarHBondContact CB-O 3.48Å; G808-S854 VanDerWaalsContact CA-O 3.31Å; G808-S854 WeakPolarHBondContact CA-O 3.41Å; G808-S854 PolarHBondContact N-O 3Å; A820-S854 WeakPolarHBondContact CB-O 3.46Å; R852-S854 PolarHBondContact O-N 3.23Å; R852-S854 PolarHBondContact O-OG 3.4Å; R852-S854 VanDerWaalsContact O-OG 3.07Å; S854-V867 PolarHBondContact N-O 3.17Å; S854-F869 WeakPolarHBondContact OG-CB 3.38Å
855	G	97	Very high	93.2	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	151.8	171.4	0	0	0	0	0	111.6	W619 V867	W619-G855 WeakPolarHBondContact O-CA 3.48Å; W619-G855 PolarHBondContact O-N 2.77Å; G855-V867 PolarHBondContact O-N 2.85Å
856	I	98.1	Very high	93.4	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.2	-179.3	-160.9	154.8	0	0	0	109.4	G808 A810 I818 A820 V827 I864 V865 V866	G808-I856 VanDerWaalsContact C-CG2 3.45Å; A810-I856 HydrophobicContact CB-CG2 4.09Å; I818-I856 HydrophobicContact CG2-CD1 3.64Å; I818-I856 HydrophobicContact CG2-CG1 4.18Å; A820-I856 HydrophobicContact CB-CD1 4.45Å; V827-I856 HydrophobicContact CB-CD1 4.39Å; V827-I856 HydrophobicContact CG1-CD1 3.69Å; V827-I856 HydrophobicContact CG2-CD1 3.71Å; I856-I864 HydrophobicContact CD1-CG2 3.86Å; I856-I864 HydrophobicContact CG1-CG2 3.8Å; I856-V865 CarbonylContact C-O 3.52Å; I856-V865 VanDerWaalsContact CA-O 3.31Å; I856-V865 WeakPolarHBondContact CA-O 3.18Å; I856-V866 HydrophobicContact CD1-CG2 3.95Å; I856-V866 HydrophobicContact CG1-CG2 4.16Å
857	A	97.6	Very high	93.8	Very high	9 Å²	9	29.4 Å²	29.4	7%	0.074	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.5	178.5	0	0	0	0	0	110.4	V621 V623 V865	V621-A857 HydrophobicContact CG1-CB 4.05Å; V623-A857 HydrophobicContact CG2-CB 3.92Å; A857-V865 PolarHBondContact N-O 3.31Å; A857-V865 PolarHBondContact O-N 2.95Å
858	V	95.8	Very high	94.3	Very high	27 Å²	27	22.5 Å²	22.5	16%	0.164	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.4	178.3	-173.5	0	0	0	0	109.1	A810 D812 I818 M863	A810-V858 HydrophobicContact CB-CG2 3.94Å; D812-V858 HydrophobicContact CB-CG1 4.02Å; D812-V858 HydrophobicContact CB-CG2 4.24Å; I818-V858 HydrophobicContact CD1-CG2 3.59Å; V858-M863 CarbonylContact C-O 3.59Å; V858-M863 WeakPolarHBondContact CA-O 3.45Å
859	T	91.8	Very high	95	Very high	18 Å²	18	23.8 Å²	23.8	11%	0.11	12%	0.122	C	C	.	.			trans	-78.2	165.5	178.3	74.1	0	0	0	0	112.1	V623 D861 G862 M863 V865	V623-T859 HydrophobicContact CG1-CG2 4.13Å; V623-T859 HydrophobicContact CG2-CG2 4.34Å; T859-D861 PolarHBondContact O-N 3.2Å; T859-D861 PolarHBondContact OG1-N 2.97Å; T859-G862 PolarHBondContact O-N 2.93Å; T859-G862 PolarHBondContact OG1-N 3.4Å; T859-M863 HydrophobicContact CG2-CB 3.8Å; T859-M863 PolarHBondContact N-O 3.45Å; T859-M863 WeakPolarHBondContact OG1-CB 3.48Å; T859-M863 PolarHBondContact OG1-N 2.61Å; T859-M863 VanDerWaalsContact OG1-N 3.08Å; T859-V865 HydrophobicContact CG2-CG2 3.86Å
860	P	85.5	Confident	95.1	Very high	38 Å²	38	21.9 Å²	21.9	25%	0.247	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-7.2	170.1	-27.3	37	0	0	0	116.1	K590 Q813	K590-P860 PolarHBondContact NZ-O 3.31Å; Q813-P860 PolarHBondContact NE2-O 2.78Å
861	D	84.4	Confident	95.1	Very high	105 Å²	105	23.8 Å²	23.8	56%	0.561	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.6	16.1	177.9	-54.2	-61.5	0	0	0	112.8	K590 R593 T859 M863	K590-D861 IonicContact NZ-OD1 2.9Å; K590-D861 PolarHBondContact NZ-OD1 2.89Å; R593-D861 PolarHBondContact NH1-O 3Å; T859-D861 PolarHBondContact O-N 3.2Å; T859-D861 PolarHBondContact OG1-N 2.97Å; D861-M863 VanDerWaalsContact C-N 3.34Å; D861-M863 PolarHBondContact O-N 3.25Å
862	G	89.1	Confident	95.2	Very high	4 Å²	4	22.9 Å²	22.9	4%	0.041	13%	0.127	C	C	.	.			trans	76.3	12.4	172.9	0	0	0	0	0	115.3	Y595 T859	Y595-G862 WeakPolarHBondContact CE1-O 3.48Å; Y595-G862 PolarHBondContact OH-O 3.25Å; T859-G862 PolarHBondContact O-N 2.93Å; T859-G862 PolarHBondContact OG1-N 3.4Å
863	M	92.4	Very high	95.2	Very high	55 Å²	55	20.1 Å²	20.1	27%	0.271	12%	0.116	S	C	.	.			trans	-72.4	140.7	170.8	-56.2	-70.2	-65	0	0	109.6	R593 V858 T859 D861 V876 F877	R593-M863 PolarHBondContact NH1-SD 3.37Å; R593-M863 PolarHBondContact NH2-SD 3.34Å; V858-M863 CarbonylContact C-O 3.59Å; V858-M863 WeakPolarHBondContact CA-O 3.45Å; T859-M863 HydrophobicContact CG2-CB 3.8Å; T859-M863 PolarHBondContact N-O 3.45Å; T859-M863 WeakPolarHBondContact OG1-CB 3.48Å; T859-M863 PolarHBondContact OG1-N 2.61Å; T859-M863 VanDerWaalsContact OG1-N 3.08Å; D861-M863 VanDerWaalsContact C-N 3.34Å; D861-M863 PolarHBondContact O-N 3.25Å; M863-V876 HydrophobicContact CB-CG1 3.82Å; M863-V876 HydrophobicContact CE-CG1 4.04Å; M863-F877 CarbonylContact C-O 3.54Å; M863-F877 WeakPolarHBondContact CA-O 3.44Å; M863-F877 WeakPolarHBondContact CB-O 3.03Å; M863-F877 VanDerWaalsContact CE-C 3.46Å; M863-F877 WeakPolarHBondContact CE-O 3.45Å
864	I	96.1	Very high	95.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.3	-180	-53.5	-180	0	0	0	109.3	Y595 I598 I818 I829 F840 I856 V866 V876 F877	Y595-I864 HydrophobicContact CD1-CD1 4.07Å; Y595-I864 HydrophobicContact CE1-CD1 3.76Å; Y595-I864 HydrophobicContact CE1-CG1 3.91Å; I598-I864 HydrophobicContact CD1-CD1 3.79Å; I598-I864 HydrophobicContact CD1-CG1 4.32Å; I818-I864 HydrophobicContact CD1-CD1 3.98Å; I818-I864 HydrophobicContact CD1-CG1 4.24Å; I818-I864 HydrophobicContact CG1-CD1 4.42Å; I818-I864 HydrophobicContact CG2-CD1 4.06Å; I818-I864 HydrophobicContact CG2-CG2 4.02Å; I829-I864 HydrophobicContact CD1-CD1 3.58Å; F840-I864 HydrophobicContact CE1-CD1 4.02Å; F840-I864 HydrophobicContact CZ-CD1 4.13Å; F840-I864 HydrophobicContact CZ-CG2 4.41Å; I856-I864 HydrophobicContact CD1-CG2 3.86Å; I856-I864 HydrophobicContact CG1-CG2 3.8Å; I864-V866 HydrophobicContact CG2-CG2 3.92Å; I864-V876 WeakPolarHBondContact O-CA 3.33Å; I864-F877 PolarHBondContact N-O 3Å; I864-F877 PolarHBondContact O-N 3.39Å
865	V	97.8	Very high	95.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.6	176.3	-174.7	0	0	0	0	109.1	V621 V623 I629 I856 A857 T859 I874 L875 V876	V621-V865 HydrophobicContact CG1-CG1 4.45Å; V621-V865 HydrophobicContact CG2-CG1 3.78Å; V623-V865 HydrophobicContact CG2-CB 4.37Å; V623-V865 HydrophobicContact CG2-CG2 3.83Å; I629-V865 HydrophobicContact CD1-CG1 4.25Å; I629-V865 HydrophobicContact CD1-CG2 4.17Å; I629-V865 HydrophobicContact CG1-CG2 4.43Å; I629-V865 HydrophobicContact CG2-CG1 3.89Å; I856-V865 CarbonylContact C-O 3.52Å; I856-V865 VanDerWaalsContact CA-O 3.31Å; I856-V865 WeakPolarHBondContact CA-O 3.18Å; A857-V865 PolarHBondContact N-O 3.31Å; A857-V865 PolarHBondContact O-N 2.95Å; T859-V865 HydrophobicContact CG2-CG2 3.86Å; V865-I874 HydrophobicContact CG1-CG2 3.55Å; V865-L875 WeakPolarHBondContact CA-O 3.38Å; V865-V876 HydrophobicContact CG1-CG2 4.36Å; V865-V876 HydrophobicContact CG2-CG1 4.12Å; V865-V876 HydrophobicContact CG2-CG2 4.18Å
866	V	97.8	Very high	95.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.7	-174.5	-169.6	0	0	0	0	110.5	V827 P853 I856 I864 D868 L875 F877	V827-V866 HydrophobicContact CG2-CG1 4.25Å; V827-V866 HydrophobicContact CG2-CG2 4.05Å; P853-V866 HydrophobicContact CB-CG1 3.71Å; I856-V866 HydrophobicContact CD1-CG2 3.95Å; I856-V866 HydrophobicContact CG1-CG2 4.16Å; I864-V866 HydrophobicContact CG2-CG2 3.92Å; V866-D868 PolarHBondContact O-N 2.82Å; V866-L875 PolarHBondContact N-O 2.94Å; V866-L875 PolarHBondContact O-N 3.23Å; V866-F877 HydrophobicContact CB-CE2 4.43Å; V866-F877 HydrophobicContact CG2-CD2 4.03Å; V866-F877 HydrophobicContact CG2-CE2 3.95Å
867	V	98.3	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	109.4	169.1	-175.7	0	0	0	0	109.6	P618 W619 V621 P853 S854 G855 F869 I874	P618-V867 HydrophobicContact CB-CG1 3.95Å; P618-V867 HydrophobicContact CG-CG1 3.68Å; W619-V867 WeakPolarHBondContact O-CB 3.36Å; W619-V867 VanDerWaalsContact O-CG2 3.3Å; W619-V867 WeakPolarHBondContact O-CG2 3.36Å; V621-V867 HydrophobicContact CB-CG2 3.6Å; V621-V867 HydrophobicContact CG1-CG2 3.65Å; P853-V867 WeakPolarHBondContact CA-O 3.16Å; S854-V867 PolarHBondContact N-O 3.17Å; G855-V867 PolarHBondContact O-N 2.85Å; V867-F869 PolarHBondContact O-N 3.03Å; V867-I874 HydrophobicContact CB-CD1 4.39Å; V867-I874 HydrophobicContact CG1-CD1 4.38Å; V867-I874 HydrophobicContact CG2-CD1 3.88Å
868	D	97.7	Very high	94.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	86.2	177	-175.8	4.6	0	0	0	109.4	M850 D851 V866 G870 N871 N872 R873 L875	M850-D868 WeakPolarHBondContact CA-OD1 3.36Å; D851-D868 PolarHBondContact N-OD1 3.1Å; V866-D868 PolarHBondContact O-N 2.82Å; D868-G870 PolarHBondContact O-N 3.29Å; D868-N871 VanDerWaalsContact CG-ND2 3.27Å; D868-N871 PolarHBondContact O-N 3.05Å; D868-N871 PolarHBondContact OD1-ND2 2.96Å; D868-N871 WeakPolarHBondContact OD2-CB 3.44Å; D868-N871 PolarHBondContact OD2-ND2 3.2Å; D868-N872 PolarHBondContact O-N 2.58Å; D868-N872 VanDerWaalsContact O-N 3.12Å; D868-R873 HydrophobicContact CB-CG 3.75Å; D868-R873 PolarHBondContact N-O 2.92Å; D868-R873 PolarHBondContact O-N 3.46Å; D868-R873 IonicContact OD2-CZ 2.74Å; D868-R873 IonicContact OD2-NE 2.9Å; D868-R873 PolarHBondContact OD2-NE 2.62Å; D868-R873 IonicContact OD2-NH2 3.22Å; D868-R873 PolarHBondContact OD2-NH2 3.4Å; D868-R873 VanDerWaalsContact OD2-NH2 3.16Å; D868-L875 HydrophobicContact CB-CD1 4.02Å; D868-L875 HydrophobicContact CB-CG 4.19Å
869	F	97.4	Very high	94.7	Very high	36 Å²	36	20.8 Å²	20.8	16%	0.158	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-49.7	-166.2	178.1	-94.1	0	0	0	114.2	R617 P618 D851 R852 S854 V867 N871 N872	R617-F869 HydrophobicContact CB-CE2 3.8Å; R617-F869 HydrophobicContact CB-CZ 3.9Å; P618-F869 VanDerWaalsContact O-CD2 3.25Å; P618-F869 WeakPolarHBondContact O-CD2 3.25Å; D851-F869 PolarHBondContact O-N 3.37Å; R852-F869 HydrophobicContact CB-CB 4.3Å; R852-F869 HydrophobicContact CB-CD1 4.38Å; R852-F869 WeakPolarHBondContact O-CB 3.46Å; S854-F869 WeakPolarHBondContact OG-CB 3.38Å; V867-F869 PolarHBondContact O-N 3.03Å; F869-N871 VanDerWaalsContact C-N 3.29Å; F869-N871 PolarHBondContact O-N 3.04Å; F869-N872 PolarHBondContact O-N 3.24Å
870	G	95.6	Very high	94.9	Very high	31 Å²	31	21 Å²	21	32%	0.32	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.5	-174.4	0	0	0	0	0	113	D851 D868	D851-G870 PolarHBondContact O-N 3.35Å; D868-G870 PolarHBondContact O-N 3.29Å
871	N	97.1	Very high	95.4	Very high	40 Å²	40	20 Å²	20	21%	0.214	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	3.6	177.6	-61.3	-51	0	0	0	113.3	G844 S845 D851 D868 F869 R873	G844-N871 PolarHBondContact O-ND2 3.07Å; S845-N871 WeakPolarHBondContact CA-OD1 3.39Å; S845-N871 WeakPolarHBondContact CB-OD1 3.41Å; D851-N871 PolarHBondContact N-ND2 2.73Å; D868-N871 VanDerWaalsContact CG-ND2 3.27Å; D868-N871 PolarHBondContact O-N 3.05Å; D868-N871 PolarHBondContact OD1-ND2 2.96Å; D868-N871 WeakPolarHBondContact OD2-CB 3.44Å; D868-N871 PolarHBondContact OD2-ND2 3.2Å; F869-N871 VanDerWaalsContact C-N 3.29Å; F869-N871 PolarHBondContact O-N 3.04Å; N871-R873 VanDerWaalsContact C-N 3.26Å; N871-R873 HydrophobicContact CB-CG 3.95Å; N871-R873 PolarHBondContact O-N 2.86Å
872	N	97.4	Very high	96.1	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.043	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	38.5	-179.8	-66.7	-64.5	0	0	0	114.2	S607 E608 R617 D868 F869	S607-N872 PolarHBondContact N-O 2.93Å; E608-N872 HydrophobicContact CB-CB 3.97Å; E608-N872 PolarHBondContact OE1-ND2 2.82Å; E608-N872 PolarHBondContact OE2-ND2 2.83Å; R617-N872 WeakPolarHBondContact CA-OD1 3.41Å; R617-N872 PolarHBondContact N-OD1 3.22Å; D868-N872 PolarHBondContact O-N 2.58Å; D868-N872 VanDerWaalsContact O-N 3.12Å; F869-N872 PolarHBondContact O-N 3.24Å
873	R	97.2	Very high	96.6	Very high	36 Å²	36	15.4 Å²	15.4	14%	0.136	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.2	-174.5	70.6	-175.5	178.4	-174.8	1.6	113.3	F605 S845 G846 Q849 D868 N871 L875	F605-R873 WeakPolarHBondContact O-CA 3.49Å; F605-R873 WeakPolarHBondContact O-CB 3.35Å; S845-R873 PolarHBondContact O-NH1 2.89Å; S845-R873 PolarHBondContact O-NH2 2.88Å; G846-R873 PolarHBondContact O-NH2 2.8Å; Q849-R873 PolarHBondContact O-NH2 2.89Å; D868-R873 HydrophobicContact CB-CG 3.75Å; D868-R873 PolarHBondContact N-O 2.92Å; D868-R873 PolarHBondContact O-N 3.46Å; D868-R873 IonicContact OD2-CZ 2.74Å; D868-R873 IonicContact OD2-NE 2.9Å; D868-R873 PolarHBondContact OD2-NE 2.62Å; D868-R873 IonicContact OD2-NH2 3.22Å; D868-R873 PolarHBondContact OD2-NH2 3.4Å; D868-R873 VanDerWaalsContact OD2-NH2 3.16Å; N871-R873 VanDerWaalsContact C-N 3.26Å; N871-R873 HydrophobicContact CB-CG 3.95Å; N871-R873 PolarHBondContact O-N 2.86Å; R873-L875 HydrophobicContact CG-CD2 4.46Å
874	I	97.9	Very high	96.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.8	169.7	-51.6	-59.4	0	0	0	108.6	S604 F605 L615 V631 V865 V867 V876	S604-I874 WeakPolarHBondContact CA-O 3.33Å; F605-I874 HydrophobicContact CD1-CB 4.2Å; F605-I874 HydrophobicContact CD1-CG2 4.49Å; F605-I874 HydrophobicContact CD2-CB 4.21Å; F605-I874 HydrophobicContact CD2-CG1 4.27Å; F605-I874 HydrophobicContact CE1-CB 3.81Å; F605-I874 HydrophobicContact CE1-CG2 3.7Å; F605-I874 HydrophobicContact CE2-CB 3.8Å; F605-I874 HydrophobicContact CE2-CG1 3.69Å; F605-I874 HydrophobicContact CE2-CG2 4.27Å; F605-I874 HydrophobicContact CG-CB 4.4Å; F605-I874 HydrophobicContact CZ-CB 3.6Å; F605-I874 HydrophobicContact CZ-CG1 3.88Å; F605-I874 HydrophobicContact CZ-CG2 3.57Å; F605-I874 PolarHBondContact N-O 2.72Å; F605-I874 PolarHBondContact O-N 2.81Å; L615-I874 HydrophobicContact CD1-CD1 4.07Å; L615-I874 HydrophobicContact CD1-CG1 3.95Å; V631-I874 HydrophobicContact CG1-CD1 4.06Å; V631-I874 HydrophobicContact CG2-CD1 3.81Å; V631-I874 HydrophobicContact CG2-CG1 4.08Å; V865-I874 HydrophobicContact CG1-CG2 3.55Å; V867-I874 HydrophobicContact CB-CD1 4.39Å; V867-I874 HydrophobicContact CG1-CD1 4.38Å; V867-I874 HydrophobicContact CG2-CD1 3.88Å; I874-V876 HydrophobicContact CG2-CG2 4.5Å
875	L	96.9	Very high	96.9	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.5	173.6	-61.4	175.8	0	0	0	109.3	P601 S604 M850 V865 V866 D868 R873 F877	P601-L875 HydrophobicContact CB-CB 4.46Å; P601-L875 HydrophobicContact CB-CD2 4.39Å; P601-L875 HydrophobicContact CG-CD2 4.41Å; S604-L875 WeakPolarHBondContact OG-CD2 3.5Å; M850-L875 HydrophobicContact CB-CD1 4.38Å; V865-L875 WeakPolarHBondContact CA-O 3.38Å; V866-L875 PolarHBondContact N-O 2.94Å; V866-L875 PolarHBondContact O-N 3.23Å; D868-L875 HydrophobicContact CB-CD1 4.02Å; D868-L875 HydrophobicContact CB-CG 4.19Å; R873-L875 HydrophobicContact CG-CD2 4.46Å; L875-F877 HydrophobicContact CB-CD2 4.25Å; L875-F877 HydrophobicContact CB-CE2 3.46Å; L875-F877 VanDerWaalsContact CB-CE2 3.46Å; L875-F877 HydrophobicContact CB-CZ 4.01Å; L875-F877 HydrophobicContact CD1-CE2 4.12Å; L875-F877 HydrophobicContact CD1-CZ 3.96Å; L875-F877 HydrophobicContact CG-CE2 4.43Å
876	V	95.9	Very high	96.9	Very high	10 Å²	10	14.7 Å²	14.7	6%	0.061	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.8	176.9	-169.4	0	0	0	0	109.8	P601 G602 L603 F605 I629 M863 I864 V865 I874	P601-V876 CarbonylContact C-O 3.58Å; P601-V876 WeakPolarHBondContact CA-O 3.3Å; P601-V876 WeakPolarHBondContact CB-O 3.43Å; G602-V876 PolarHBondContact N-O 3.06Å; L603-V876 HydrophobicContact CB-CB 4.16Å; L603-V876 HydrophobicContact CB-CG2 4.36Å; L603-V876 HydrophobicContact CD2-CG2 4.21Å; L603-V876 HydrophobicContact CG-CG2 4.46Å; L603-V876 PolarHBondContact N-O 3.41Å; L603-V876 PolarHBondContact O-N 2.97Å; F605-V876 HydrophobicContact CE1-CG2 4.21Å; I629-V876 HydrophobicContact CD1-CG2 4.16Å; M863-V876 HydrophobicContact CB-CG1 3.82Å; M863-V876 HydrophobicContact CE-CG1 4.04Å; I864-V876 WeakPolarHBondContact O-CA 3.33Å; V865-V876 HydrophobicContact CG1-CG2 4.36Å; V865-V876 HydrophobicContact CG2-CG1 4.12Å; V865-V876 HydrophobicContact CG2-CG2 4.18Å; I874-V876 HydrophobicContact CG2-CG2 4.5Å
877	F	92.9	Very high	96.8	Very high	14 Å²	14	16 Å²	16	6%	0.061	9%	0.091	C	C	.	.			trans	-124.3	0	-173.2	-58.8	-99.9	0	0	0	112.4	R593 I598 P601 F840 M850 M863 I864 V866 L875	R593-F877 PolarHBondContact NH2-OXT 2.96Å; I598-F877 HydrophobicContact CD1-CB 3.76Å; I598-F877 HydrophobicContact CG1-CB 3.95Å; P601-F877 HydrophobicContact CB-CD1 3.96Å; P601-F877 HydrophobicContact CB-CE1 3.78Å; P601-F877 HydrophobicContact CB-CE2 4.39Å; P601-F877 HydrophobicContact CB-CG 4.35Å; P601-F877 HydrophobicContact CB-CZ 4.02Å; P601-F877 HydrophobicContact CG-CE1 4.15Å; P601-F877 HydrophobicContact CG-CZ 4.46Å; F840-F877 AromaticContact CD2-CD1 3.91Å; F840-F877 HydrophobicContact CD2-CD1 3.91Å; F840-F877 AromaticContact CD2-CE1 3.84Å; F840-F877 HydrophobicContact CD2-CE1 3.84Å; F840-F877 HydrophobicContact CD2-CG 4.29Å; F840-F877 HydrophobicContact CD2-CZ 4.16Å; F840-F877 HydrophobicContact CE2-CB 4.18Å; F840-F877 AromaticContact CE2-CD1 3.66Å; F840-F877 HydrophobicContact CE2-CD1 3.66Å; F840-F877 AromaticContact CE2-CD2 3.61Å; F840-F877 HydrophobicContact CE2-CD2 3.61Å; F840-F877 AromaticContact CE2-CE1 3.78Å; F840-F877 HydrophobicContact CE2-CE1 3.78Å; F840-F877 AromaticContact CE2-CE2 3.73Å; F840-F877 HydrophobicContact CE2-CE2 3.73Å; F840-F877 AromaticContact CE2-CG 3.58Å; F840-F877 HydrophobicContact CE2-CG 3.58Å; F840-F877 AromaticContact CE2-CZ 3.82Å; F840-F877 HydrophobicContact CE2-CZ 3.82Å; F840-F877 HydrophobicContact CZ-CB 4.38Å; F840-F877 HydrophobicContact CZ-CD2 4.23Å; F840-F877 HydrophobicContact CZ-CG 4.21Å; M850-F877 HydrophobicContact CE-CE2 4.13Å; M850-F877 HydrophobicContact CE-CZ 3.74Å; M863-F877 CarbonylContact C-O 3.54Å; M863-F877 WeakPolarHBondContact CA-O 3.44Å; M863-F877 WeakPolarHBondContact CB-O 3.03Å; M863-F877 VanDerWaalsContact CE-C 3.46Å; M863-F877 WeakPolarHBondContact CE-O 3.45Å; I864-F877 PolarHBondContact N-O 3Å; I864-F877 PolarHBondContact O-N 3.39Å; V866-F877 HydrophobicContact CB-CE2 4.43Å; V866-F877 HydrophobicContact CG2-CD2 4.03Å; V866-F877 HydrophobicContact CG2-CE2 3.95Å; L875-F877 HydrophobicContact CB-CD2 4.25Å; L875-F877 HydrophobicContact CB-CE2 3.46Å; L875-F877 VanDerWaalsContact CB-CE2 3.46Å; L875-F877 HydrophobicContact CB-CZ 4.01Å; L875-F877 HydrophobicContact CD1-CE2 4.12Å; L875-F877 HydrophobicContact CD1-CZ 3.96Å; L875-F877 HydrophobicContact CG-CE2 4.43Å

Retrieved 877 of 877 residues in 465.3 ms (Link to these results)

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