A0A5K4FE07_SCHMA Loading...

Cadherin

AlphaFold DB , UniProt , Accession A0A5K4FE07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,370 aa.

						>A0A5K4FE07_SCHMA|A0A5K4FE07
MNHMDTIFVTAHSLLRNQDRNNNNNNNNNNNSNNNNNELLIPYYQLNYTITENQPIHYKIGQINKDLLLKIKKINKTMKLLNYLLNQSSPSSPSSSLLLLYKLQTPTNDIDLNETTSELVTKKRFDLEKLCPFYCHSNNFFAELFYHVYIQLNNNQSIISLITIQLLIIDLNDNLPFFPLTIKRPYKIQLKEVIYHKGKLIELPKAIDYDIHPKYNEIDYQLDTMVTKDKLLIMNTFDLLITNDKRLLLLLKIDLDYELMNQYRFYLICKSINDNNNNNSIIDNDQLEMIIDVLNINDNEPKFSQMIYEIKIMENILVNSMIYQLIATDEDVNSTITYSMVNNIDLNLTSKFLIQSNGQIIIKEQLDYEQCNLYSYTIRANDGEFDAFTQLIIKIIDVNDERPEFLLNPSKLIIKENQPEKTFIGHLLIIDRDSPQVNGQVHCEEPSHLIRNQPILFVKESFDLNERILSQNHNDYYYSTIFSTISSTSSSSTSSSSSPSSLLSNTETHVYQRFTLYSQNKYDRENITDKYLAILYCWDGIPNSFSNSLVSLDSTNYLSTDYPKHVSSMTSMSLLSSLTATMTITLQILDENDNEPIFDKPLYKVTFKENSPRNTKIIQMHATDKDIEENAQIYYSLQKNELNTPYFKIDPITGWILNTAEIDREAQSTFKLTILAIDGGYQPLNNQFYLLSNNNTIHHTSTTQLIIHMLDVNDNAPEFYGPRQFAIEENQPSNTWIGDLKVIDKDEGLNSEITLKLLLFSDKWFNENVESQLRNNTTQLITDYHLPFYILNNGMIASDNGQDKVYSTIDTICIRILDLNDNKPYFIGIEGEYYDINKPSMNQSLSTMNSTIMDPYINKPLNTTQIPSIHLSINEKPGYCIFIVKAFDLDEGMNSLLQYNITLEYSRNKAETILDALKMNTSNGQVILNRSLDHNEIGNYKITVIVKDSGIPIIELIIEDTPARGNWLLSNIIQQHNTKQNTIIESYKIFIIILFIGMSTFLATILISIILCMIKPCRRIQMKYSTKWSCKRICNEHKYQNNNNNNGDLRTKELDGTIFNRNADNRKVDHIESINNVYKFDLYNQQCQKQRQQQQQPFDPLSGYTSERNVDNSFDNISLYTTYNQDHYKKLFIVNDCSTIDYIKNDLIPYYGFVETDTYCNGTNTNDQSTCIMNMNANGQELAMNNEIQPVYVERVLLPLNINKNTFQQPEWNSFILEFPQNDCQHILLNTSFDDKHLRCSLHLPQQLNHNTQLCDSSKMSFPSVSLPSSNNSTVKPDLILLQCTNTLPISSSNYVQHHRSVLLNPTSMSNTVILLDPNTPSLKNPKSVNKRNIDCSVQNIITPIASEEQHSDSGRGASDEENSSRIHQH
					

Structure Viewer

Loading PAE data...

(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	33.1	Very low	33.8	Very low	193 Å²	193	120.5 Å²	120.5	95%	0.951	64%	0.64	S	S	*	*				0	-66.2	0	-80.6	175	165.9	0	0	112.5	H3	M1-H3 PolarHBondContact O-N 3.22Å
2	N	33.6	Very low	33.9	Very low	159 Å²	159	123.7 Å²	123.7	85%	0.85	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	29.4	-172.4	-60.2	13.1	0	0	0	117.2
3	H	32.2	Very low	34.4	Very low	155 Å²	155	117.8 Å²	117.8	72%	0.718	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	-2.1	-173.5	-123.2	-57.5	0	0	0	116.9	M1 T6	M1-H3 PolarHBondContact O-N 3.22Å; H3-T6 PolarHBondContact O-OG1 2.82Å
4	M	33.5	Very low	34.4	Very low	114 Å²	114	117.7 Å²	117.7	56%	0.562	62%	0.622	S	S	*	*	S	Bend	trans	-99.6	-31.8	177.7	-80.4	-63.5	-161.6	0	0	113.9	T6 I7	M4-T6 PolarHBondContact O-N 2.96Å; M4-T6 VanDerWaalsContact O-N 3.09Å; M4-I7 PolarHBondContact O-N 3.28Å; M4-I7 HydrophobicContact SD-CD1 4.22Å
5	D	33.6	Very low	34.7	Very low	132 Å²	132	120.3 Å²	120.3	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-61.9	-21.7	-178.7	-62.3	-49.5	0	0	0	113.4	I7	D5-I7 VanDerWaalsContact C-N 3.34Å; D5-I7 PolarHBondContact O-N 2.79Å
6	T	33.5	Very low	34.8	Very low	86 Å²	86	125.6 Å²	125.6	53%	0.528	64%	0.644	S	S	.	*	H	α-helix	trans	-74.5	-16.3	176.8	30.4	0	0	0	0	114.5	H3 M4 T10	H3-T6 PolarHBondContact O-OG1 2.82Å; M4-T6 PolarHBondContact O-N 2.96Å; M4-T6 VanDerWaalsContact O-N 3.09Å; T6-T10 WeakPolarHBondContact O-CG2 3.36Å; T6-T10 PolarHBondContact O-OG1 2.93Å
7	I	33.9	Very low	34.7	Very low	101 Å²	101	124.8 Å²	124.8	52%	0.518	64%	0.641	S	S	.	*	H	α-helix	trans	-85.8	-40.1	-179.1	-60.5	-178.7	0	0	0	111.4	M4 D5 V9 T10 A11	M4-I7 PolarHBondContact O-N 3.28Å; M4-I7 HydrophobicContact SD-CD1 4.22Å; D5-I7 VanDerWaalsContact C-N 3.34Å; D5-I7 PolarHBondContact O-N 2.79Å; I7-V9 VanDerWaalsContact C-N 3.3Å; I7-V9 PolarHBondContact O-N 2.99Å; I7-T10 WeakPolarHBondContact CA-OG1 3.33Å; I7-T10 PolarHBondContact O-N 3.08Å; I7-T10 PolarHBondContact O-OG1 3.46Å; I7-A11 PolarHBondContact O-N 3.27Å
8	F	33.4	Very low	34.8	Very low	154 Å²	154	127.7 Å²	127.7	68%	0.675	65%	0.652	S	S	*	*	H	α-helix	trans	-68.6	-26.3	177.8	-90	-88.6	0	0	0	113.7
9	V	38.1	Very low	34.9	Very low	109 Å²	109	129.6 Å²	129.6	66%	0.661	66%	0.664	S	S	*	*	H	α-helix	trans	-80.6	-26.9	174.9	-179	0	0	0	0	112.3	I7 S13	I7-V9 VanDerWaalsContact C-N 3.3Å; I7-V9 PolarHBondContact O-N 2.99Å; V9-S13 PolarHBondContact O-OG 2.86Å
10	T	34	Very low	34.8	Very low	66 Å²	66	133.5 Å²	133.5	41%	0.405	67%	0.67	S	S	.	*	H	α-helix	trans	-81.3	-34.9	179.3	42.9	0	0	0	0	113.2	T6 I7 H12 S13 L14	T6-T10 WeakPolarHBondContact O-CG2 3.36Å; T6-T10 PolarHBondContact O-OG1 2.93Å; I7-T10 WeakPolarHBondContact CA-OG1 3.33Å; I7-T10 PolarHBondContact O-N 3.08Å; I7-T10 PolarHBondContact O-OG1 3.46Å; T10-H12 VanDerWaalsContact C-N 3.26Å; T10-H12 PolarHBondContact O-N 2.99Å; T10-S13 WeakPolarHBondContact CA-OG 3.42Å; T10-S13 PolarHBondContact O-N 2.9Å; T10-S13 VanDerWaalsContact O-N 3.1Å; T10-S13 PolarHBondContact O-OG 3.17Å; T10-S13 VanDerWaalsContact O-OG 3.06Å; T10-L14 WeakPolarHBondContact O-CG 3.31Å; T10-L14 PolarHBondContact O-N 3.35Å
11	A	32.7	Very low	34.7	Very low	56 Å²	56	134.3 Å²	134.3	46%	0.463	68%	0.676	S	S	.	*	H	α-helix	trans	-55.7	-39.8	172.3	0	0	0	0	0	112.9	I7 S13	I7-A11 PolarHBondContact O-N 3.27Å; A11-S13 VanDerWaalsContact C-N 3.27Å; A11-S13 PolarHBondContact O-N 2.82Å
12	H	35.6	Very low	34.7	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.736	67%	0.67	S	S	*	*	H	α-helix	trans	-75.9	-11	-178.9	-130.2	-39.3	0	0	0	114.5	T10	T10-H12 VanDerWaalsContact C-N 3.26Å; T10-H12 PolarHBondContact O-N 2.99Å
13	S	39.7	Very low	34.7	Very low	48 Å²	48	132.9 Å²	132.9	34%	0.336	67%	0.673	S	S	.	*	H	α-helix	trans	-108.8	-24.2	177.8	47.5	0	0	0	0	113.4	V9 T10 A11 L15 R16 N17	V9-S13 PolarHBondContact O-OG 2.86Å; T10-S13 WeakPolarHBondContact CA-OG 3.42Å; T10-S13 PolarHBondContact O-N 2.9Å; T10-S13 VanDerWaalsContact O-N 3.1Å; T10-S13 PolarHBondContact O-OG 3.17Å; T10-S13 VanDerWaalsContact O-OG 3.06Å; A11-S13 VanDerWaalsContact C-N 3.27Å; A11-S13 PolarHBondContact O-N 2.82Å; S13-L15 VanDerWaalsContact C-N 3.34Å; S13-R16 PolarHBondContact O-N 3.47Å; S13-N17 PolarHBondContact O-ND2 2.71Å
14	L	35.3	Very low	35	Very low	116 Å²	116	132.8 Å²	132.8	61%	0.607	68%	0.677	S	S	*	*	H	α-helix	trans	-64.1	-38	171.7	-76.8	164.5	0	0	0	112	T10 R16 N17	T10-L14 WeakPolarHBondContact O-CG 3.31Å; T10-L14 PolarHBondContact O-N 3.35Å; L14-R16 PolarHBondContact O-N 2.7Å; L14-R16 VanDerWaalsContact O-N 3.09Å; L14-N17 PolarHBondContact O-N 3.17Å
15	L	38.5	Very low	35.1	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	2.3	170.6	-76.1	170.2	0	0	0	114.6	S13	S13-L15 VanDerWaalsContact C-N 3.34Å
16	R	35.5	Very low	35.4	Very low	204 Å²	204	133.3 Å²	133.3	77%	0.77	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	-0.2	173.8	-86.4	-175	167.6	-176.5	-2.2	114.4	S13 L14	S13-R16 PolarHBondContact O-N 3.47Å; L14-R16 PolarHBondContact O-N 2.7Å; L14-R16 VanDerWaalsContact O-N 3.09Å
17	N	34.5	Very low	35.6	Very low	112 Å²	112	135.5 Å²	135.5	60%	0.599	69%	0.691	S	S	*	*	S	Bend	trans	-125.4	10.4	-167.9	-80.7	-34.3	0	0	0	115.7	S13 L14	S13-N17 PolarHBondContact O-ND2 2.71Å; L14-N17 PolarHBondContact O-N 3.17Å
18	Q	36.2	Very low	35.8	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	70%	0.699	S	S	*	*	S	Bend	trans	-99	-30.3	169.5	-71.8	-165.9	-42.2	0	0	114.1	R20	Q18-R20 PolarHBondContact O-N 3.47Å
19	D	36.5	Very low	35.8	Very low	164 Å²	164	135.4 Å²	135.4	88%	0.877	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	30.1	175.2	-68.1	-55	0	0	0	114.6
20	R	33.1	Very low	35.6	Very low	208 Å²	208	137 Å²	137	79%	0.785	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	9.9	177.5	-84.1	-173.7	167.5	-173.1	-4.6	115.2	Q18	Q18-R20 PolarHBondContact O-N 3.47Å
21	N	33.2	Very low	35.4	Very low	151 Å²	151	141 Å²	141	81%	0.807	72%	0.722	S	S	*	*	S	Bend	trans	-132.9	52.2	174.7	-94.6	-22.8	0	0	0	112.9
22	N	31.8	Very low	35.3	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	73%	0.734	S	S	*	*	S	Bend	trans	177.9	97.3	137.9	-93.8	-27.1	0	0	0	112.1
23	N	34.6	Very low	35.1	Very low	169 Å²	169	142.2 Å²	142.2	90%	0.904	73%	0.734	S	S	*	*			trans	-175.9	117.6	134.9	-96.5	-30.6	0	0	0	110.2
24	N	36.9	Very low	34.6	Very low	152 Å²	152	147.8 Å²	147.8	81%	0.813	76%	0.76	S	S	*	*			trans	-104.8	155.6	169.8	-93.7	-29.2	0	0	0	110
25	N	37.6	Very low	34.3	Very low	134 Å²	134	149 Å²	149	72%	0.717	77%	0.767	S	S	*	*			trans	77.1	105.3	160.9	-59.2	-20.2	0	0	0	119.8
26	N	38.4	Very low	33.9	Very low	123 Å²	123	149 Å²	149	66%	0.658	77%	0.768	S	S	*	*				86.2	97.3	118.7	-60.4	-13.3	0	0	0	122
27	N	38	Very low	33.6	Very low	132 Å²	132	146.3 Å²	146.3	71%	0.706	77%	0.769	S	S	*	*				84.3	128.1	110.8	-65.1	-7.6	0	0	0	122.8
28	N	37.3	Very low	33.5	Very low	128 Å²	128	150 Å²	150	68%	0.684	78%	0.782	S	S	*	*			trans	94.2	106.4	141	-64.8	-6	0	0	0	121.3
29	N	34.2	Very low	33.6	Very low	126 Å²	126	147.3 Å²	147.3	67%	0.674	77%	0.773	S	S	*	*				68.7	94.6	128.8	-55.1	-8.6	0	0	0	119.5
30	N	34.4	Very low	34.3	Very low	143 Å²	143	147.1 Å²	147.1	77%	0.765	77%	0.771	S	S	*	*				-174.1	111.5	84.7	-93	-35.4	0	0	0	115
31	N	30	Very low	35.8	Very low	150 Å²	150	141 Å²	141	80%	0.802	75%	0.753	S	S	*	*			trans	39.3	131.1	138.3	-65.1	-15	0	0	0	123.7
32	S	30.3	Very low	37.6	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	72%	0.721	S	S	*	*			trans	76.1	120.3	142.2	-158.7	0	0	0	0	117.5
33	N	31.2	Very low	39.9	Very low	139 Å²	139	132.8 Å²	132.8	74%	0.743	70%	0.703	S	S	*	*			cis	-138.8	150.6	4.7	-114.5	-26.5	0	0	0	110.8	N35	N33-N35 PolarHBondContact O-N 2.86Å
34	N	29	Very low	42.4	Very low	166 Å²	166	125.8 Å²	125.8	89%	0.888	66%	0.664	S	S	*	*			trans	-69.1	101.4	-160.7	-68.8	-13.4	0	0	0	114.6
35	N	29	Very low	44.8	Very low	141 Å²	141	121.8 Å²	121.8	75%	0.754	64%	0.64	S	S	*	*			trans	-110.8	114	159.1	-79.5	-60.9	0	0	0	109.1	N33	N33-N35 PolarHBondContact O-N 2.86Å
36	N	30.5	Very low	47.4	Very low	158 Å²	158	115.8 Å²	115.8	85%	0.845	61%	0.609	S	S	*	*			trans	-161.4	86	160.1	-99.8	-22.2	0	0	0	109	E38	N36-E38 PolarHBondContact O-N 3.06Å; N36-E38 VanDerWaalsContact O-N 3.16Å
37	N	29.6	Very low	50	Low	147 Å²	147	113.9 Å²	113.9	79%	0.786	60%	0.598	S	S	*	*			trans	-77.6	94.7	172.8	-72.7	-37.6	0	0	0	108.9	L39	N37-L39 PolarHBondContact O-N 2.79Å; N37-L39 VanDerWaalsContact O-N 3.15Å
38	E	31.7	Very low	52.7	Low	188 Å²	188	108.7 Å²	108.7	88%	0.879	57%	0.569	S	S	*	*			trans	-56.7	119.5	168.9	-73.6	-171.6	152.9	0	0	109.5	N36 L40	N36-E38 PolarHBondContact O-N 3.06Å; N36-E38 VanDerWaalsContact O-N 3.16Å; E38-L40 PolarHBondContact O-N 3.01Å
39	L	38.4	Very low	55.4	Low	122 Å²	122	106.5 Å²	106.5	64%	0.639	56%	0.56	S	S	*	*			trans	-78.5	93.1	-169.8	-126.8	75.6	0	0	0	109.7	N37 I41	N37-L39 PolarHBondContact O-N 2.79Å; N37-L39 VanDerWaalsContact O-N 3.15Å; L39-I41 PolarHBondContact O-N 3.09Å
40	L	51.9	Low	58.2	Low	159 Å²	159	100.9 Å²	100.9	83%	0.832	53%	0.53	S	S	*	.			trans	-54.6	102.6	166.8	-99.3	164.3	0	0	0	109.4	E38 P42	E38-L40 PolarHBondContact O-N 3.01Å; L40-P42 VanDerWaalsContact O-CD 3.28Å; L40-P42 WeakPolarHBondContact O-CD 3.25Å
41	I	63.1	Low	60.9	Low	80 Å²	80	95.8 Å²	95.8	41%	0.41	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-62.7	116.2	-179.7	-63.6	174.2	0	0	0	107.8	L39 Y43 I158 S160	L39-I41 PolarHBondContact O-N 3.09Å; I41-Y43 PolarHBondContact O-N 3.23Å; I41-I158 HydrophobicContact CD1-CB 4.12Å; I41-I158 HydrophobicContact CD1-CG2 4.27Å; I41-I158 HydrophobicContact CG2-CG2 4.04Å; I41-S160 VanDerWaalsContact CG2-CA 3.47Å
42	P	71.9	Confident	63.8	Low	20 Å²	20	88.7 Å²	88.7	13%	0.13	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-58.4	124.2	178.8	20.3	-33.4	0	0	0	111.4	L40 Y44 M78 I159 S160 L161	L40-P42 VanDerWaalsContact O-CD 3.28Å; L40-P42 WeakPolarHBondContact O-CD 3.25Å; P42-Y44 HydrophobicContact CB-CE2 3.77Å; P42-Y44 HydrophobicContact CG-CE2 4.41Å; P42-M78 HydrophobicContact CB-CE 3.89Å; P42-M78 HydrophobicContact CB-SD 4.03Å; P42-M78 HydrophobicContact CG-CE 4.25Å; P42-M78 HydrophobicContact CG-SD 3.87Å; P42-I159 WeakPolarHBondContact CD-O 3.31Å; P42-I159 VanDerWaalsContact CG-O 3.25Å; P42-I159 WeakPolarHBondContact CG-O 3.48Å; P42-S160 VanDerWaalsContact O-CA 3.3Å; P42-S160 WeakPolarHBondContact O-CA 3.23Å; P42-S160 WeakPolarHBondContact O-CB 3.35Å; P42-S160 PolarHBondContact O-OG 2.99Å; P42-L161 PolarHBondContact O-N 2.89Å
43	Y	80.8	Confident	66.6	Low	111 Å²	111	84.9 Å²	84.9	44%	0.435	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.8	173.2	177.4	-99.5	0	0	0	110.8	I41 L161 T163	I41-Y43 PolarHBondContact O-N 3.23Å; Y43-L161 CarbonylContact C-O 3.55Å; Y43-L161 VanDerWaalsContact CA-O 3.32Å; Y43-L161 WeakPolarHBondContact CA-O 3.46Å; Y43-L161 HydrophobicContact CD2-CB 4.28Å; Y43-L161 HydrophobicContact CD2-CD2 4Å; Y43-L161 HydrophobicContact CD2-CG 3.98Å; Y43-L161 HydrophobicContact CE2-CD2 4.33Å; Y43-L161 HydrophobicContact CE2-CG 4.34Å; Y43-T163 VanDerWaalsContact CE2-OG1 3.23Å; Y43-T163 WeakPolarHBondContact CE2-OG1 3.05Å; Y43-T163 VanDerWaalsContact OH-CB 3.23Å; Y43-T163 WeakPolarHBondContact OH-CB 3.43Å; Y43-T163 PolarHBondContact OH-OG1 3.39Å
44	Y	85.4	Confident	69.5	Low	23 Å²	23	80.3 Å²	80.3	9%	0.09	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	161.7	171.9	-60	-77.2	0	0	0	111	P42 L67 I71 I74 L80 S160 L161 I162 T163	P42-Y44 HydrophobicContact CB-CE2 3.77Å; P42-Y44 HydrophobicContact CG-CE2 4.41Å; Y44-L67 HydrophobicContact CD1-CD1 4.19Å; Y44-L67 HydrophobicContact CD2-CD1 3.72Å; Y44-L67 HydrophobicContact CE2-CD1 4.43Å; Y44-L67 HydrophobicContact CG-CD1 3.58Å; Y44-I71 HydrophobicContact CD1-CG1 4.34Å; Y44-I71 HydrophobicContact CE1-CD1 4.16Å; Y44-I71 HydrophobicContact CE1-CG1 3.65Å; Y44-I71 HydrophobicContact CE2-CD1 3.87Å; Y44-I71 HydrophobicContact CE2-CG1 4.29Å; Y44-I74 HydrophobicContact CD1-CD1 4.36Å; Y44-I74 HydrophobicContact CE1-CD1 4.21Å; Y44-L80 HydrophobicContact CE2-CD2 3.83Å; Y44-S160 VanDerWaalsContact CD2-OG 3.32Å; Y44-S160 WeakPolarHBondContact CD2-OG 3.31Å; Y44-S160 WeakPolarHBondContact CE2-OG 3.43Å; Y44-L161 PolarHBondContact N-O 3.41Å; Y44-I162 CarbonylContact O-C 3.57Å; Y44-I162 VanDerWaalsContact O-CA 3.3Å; Y44-I162 WeakPolarHBondContact O-CA 3.39Å; Y44-T163 PolarHBondContact O-N 3.26Å
45	Q	89	Confident	72.5	Confident	67 Å²	67	76 Å²	76	31%	0.313	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.6	169.3	-174.7	177.5	-11.3	0	0	108.7	K70 T163	Q45-K70 VanDerWaalsContact O-CD 3.27Å; Q45-K70 WeakPolarHBondContact O-CD 3.28Å; Q45-K70 VanDerWaalsContact O-CE 3.29Å; Q45-K70 WeakPolarHBondContact O-CE 3.34Å; Q45-K70 PolarHBondContact O-NZ 3.16Å; Q45-T163 CarbonylContact C-O 3.53Å; Q45-T163 WeakPolarHBondContact CA-O 3.43Å
46	L	91.8	Very high	75.4	Confident	9 Å²	9	74 Å²	74	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143	167.9	-65.7	177.3	0	0	0	108.4	Y48 I63 D66 L67 K70 I162 T163 I164 Q165	L46-Y48 HydrophobicContact CB-CE2 4.23Å; L46-I63 HydrophobicContact CD1-CB 4.36Å; L46-I63 HydrophobicContact CD1-CG1 4.4Å; L46-I63 HydrophobicContact CD1-CG2 3.94Å; L46-D66 HydrophobicContact CD1-CB 4.35Å; L46-D66 HydrophobicContact CD2-CB 4.27Å; L46-L67 HydrophobicContact CD1-CB 4.49Å; L46-K70 HydrophobicContact CD2-CD 4.1Å; L46-I162 HydrophobicContact CB-CG2 4.43Å; L46-I162 HydrophobicContact CD1-CG2 4.06Å; L46-I162 HydrophobicContact CG-CG2 3.96Å; L46-T163 PolarHBondContact N-O 3.39Å; L46-I164 WeakPolarHBondContact O-CA 3.45Å; L46-Q165 PolarHBondContact O-N 2.73Å
47	N	92.6	Very high	78.3	Confident	82 Å²	82	72.7 Å²	72.7	44%	0.439	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.4	-179.3	-69.1	54.3	0	0	0	107.1	Q165	N47-Q165 WeakPolarHBondContact CA-O 3.36Å; N47-Q165 PolarHBondContact ND2-OE1 3.42Å
48	Y	94.6	Very high	81.3	Confident	23 Å²	23	70 Å²	70	9%	0.09	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147	172	-59	-66.9	0	0	0	109	L46 I60 D66 L119 I164 Q165 L166 L167	L46-Y48 HydrophobicContact CB-CE2 4.23Å; Y48-I60 WeakPolarHBondContact CD1-O 3.35Å; Y48-I60 HydrophobicContact CD2-CG2 3.93Å; Y48-I60 HydrophobicContact CG-CG2 3.83Å; Y48-D66 HydrophobicContact CE1-CB 4.5Å; Y48-D66 WeakPolarHBondContact CE1-OD2 3.21Å; Y48-D66 PolarHBondContact OH-OD2 2.61Å; Y48-D66 VanDerWaalsContact OH-OD2 3.05Å; Y48-L119 HydrophobicContact CD2-CD2 3.87Å; Y48-L119 HydrophobicContact CE2-CD2 3.78Å; Y48-I164 HydrophobicContact CD2-CG2 3.56Å; Y48-I164 HydrophobicContact CE2-CG2 3.8Å; Y48-Q165 PolarHBondContact N-O 3.01Å; Y48-L166 WeakPolarHBondContact O-CA 3.49Å; Y48-L167 PolarHBondContact O-N 2.81Å
49	T	93.3	Very high	84.3	Confident	83 Å²	83	65.7 Å²	65.7	51%	0.509	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	172.1	-54.2	0	0	0	0	107.9	L167 I169	T49-L167 WeakPolarHBondContact CA-O 3.43Å; T49-L167 HydrophobicContact CG2-CB 4.18Å; T49-I169 HydrophobicContact CG2-CD1 4.03Å; T49-I169 HydrophobicContact CG2-CG1 4.18Å; T49-I169 HydrophobicContact CG2-CG2 3.91Å
50	I	93.5	Very high	87	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.4	166.6	60.9	176.4	0	0	0	107.8	Q54 Y58 I60 T121 F125 L166 L167 I168 I169	I50-Q54 HydrophobicContact CB-CG 4.45Å; I50-Y58 HydrophobicContact CG2-CD1 4.31Å; I50-Y58 HydrophobicContact CG2-CE1 3.88Å; I50-I60 HydrophobicContact CG2-CG1 4.36Å; I50-I60 HydrophobicContact CG2-CG2 4.29Å; I50-T121 HydrophobicContact CD1-CG2 4.34Å; I50-F125 HydrophobicContact CD1-CD2 3.78Å; I50-F125 HydrophobicContact CD1-CE2 4.06Å; I50-L166 HydrophobicContact CD1-CD1 4.11Å; I50-L166 HydrophobicContact CD1-CD2 4.16Å; I50-L166 HydrophobicContact CD1-CG 4.44Å; I50-L166 HydrophobicContact CG1-CD1 3.94Å; I50-L166 HydrophobicContact CG1-CG 4.47Å; I50-L166 HydrophobicContact CG2-CD1 4.23Å; I50-L167 PolarHBondContact N-O 2.86Å; I50-I168 HydrophobicContact CD1-CG1 4.23Å; I50-I168 HydrophobicContact CG1-CG1 4.01Å; I50-I168 WeakPolarHBondContact O-CA 3.26Å; I50-I169 PolarHBondContact O-N 3.27Å
51	T	91.8	Very high	88.8	Confident	36 Å²	36	53.5 Å²	53.5	22%	0.221	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	164.6	156.9	68.3	0	0	0	0	108.3	Q54 I169 L171	T51-Q54 WeakPolarHBondContact O-CG 3.42Å; T51-Q54 PolarHBondContact OG1-NE2 2.86Å; T51-I169 WeakPolarHBondContact CA-O 3.35Å; T51-I169 HydrophobicContact CG2-CD1 4.29Å; T51-I169 HydrophobicContact CG2-CG1 4.1Å; T51-L171 HydrophobicContact CG2-CD2 3.88Å; T51-L171 HydrophobicContact CG2-CG 4.43Å
52	E	89.8	Confident	90.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-178.2	160.2	73.9	-170.6	105.5	0	0	112.8	Q54 L127 I168 I169 D170 L171	E52-Q54 PolarHBondContact O-N 3.1Å; E52-L127 HydrophobicContact CB-CB 4.28Å; E52-L127 WeakPolarHBondContact OE1-CB 3.47Å; E52-L127 WeakPolarHBondContact OE2-CB 3.38Å; E52-L127 PolarHBondContact OE2-N 2.84Å; E52-I168 HydrophobicContact CB-CG2 3.75Å; E52-I169 PolarHBondContact N-O 3.46Å; E52-D170 WeakPolarHBondContact OE1-CA 3.45Å; E52-L171 HydrophobicContact CG-CB 4.05Å; E52-L171 HydrophobicContact CG-CD1 3.97Å; E52-L171 HydrophobicContact CG-CG 3.95Å; E52-L171 PolarHBondContact OE1-N 2.95Å
53	N	89.8	Confident	91.1	Very high	21 Å²	21	50 Å²	50	11%	0.112	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	6	172.4	-77.8	-33	0	0	0	116.8	R124 F125 L171 D173	N53-R124 PolarHBondContact ND2-NH2 2.8Å; N53-R124 PolarHBondContact O-NE 3.3Å; N53-R124 VanDerWaalsContact OD1-CZ 3.26Å; N53-R124 PolarHBondContact OD1-NE 2.9Å; N53-R124 PolarHBondContact OD1-NH2 2.65Å; N53-F125 WeakPolarHBondContact CA-O 3.36Å; N53-F125 PolarHBondContact N-O 2.8Å; N53-F125 PolarHBondContact OD1-O 2.76Å; N53-L171 HydrophobicContact CB-CD1 4.3Å; N53-D173 PolarHBondContact ND2-OD1 3.32Å; N53-D173 PolarHBondContact ND2-OD2 2.93Å
54	Q	91.3	Very high	91.4	Very high	42 Å²	42	46.3 Å²	46.3	20%	0.196	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-54.1	141.8	169.5	-67.8	-62.6	-22.5	0	0	111.8	I50 T51 E52 Y58	I50-Q54 HydrophobicContact CB-CG 4.45Å; T51-Q54 WeakPolarHBondContact O-CG 3.42Å; T51-Q54 PolarHBondContact OG1-NE2 2.86Å; E52-Q54 PolarHBondContact O-N 3.1Å; Q54-Y58 HydrophobicContact CB-CD1 4.1Å; Q54-Y58 HydrophobicContact CB-CD2 4.44Å; Q54-Y58 HydrophobicContact CB-CG 3.96Å; Q54-Y58 HydrophobicContact CG-CD1 4.16Å; Q54-Y58 HydrophobicContact CG-CE1 4.26Å; Q54-Y58 HydrophobicContact CG-CG 4.3Å
55	P	91.7	Very high	91.4	Very high	76 Å²	76	50.9 Å²	50.9	49%	0.494	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-66.6	163.2	-175	27.5	-34	0	0	0	112	Y58 T121	P55-Y58 HydrophobicContact CG-CD2 4.41Å; P55-Y58 WeakPolarHBondContact O-CB 3.45Å; P55-Y58 PolarHBondContact O-N 3.45Å; P55-T121 PolarHBondContact O-OG1 2.83Å
56	I	90.9	Very high	91.4	Very high	98 Å²	98	50.1 Å²	50.1	50%	0.503	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	141.5	171.4	-55.5	175.3	0	0	0	108.8	Y58	I56-Y58 PolarHBondContact O-N 3.31Å
57	H	91.7	Very high	91.1	Very high	131 Å²	131	49.7 Å²	49.7	61%	0.606	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	17.6	-169.2	-50.1	-61.4	0	0	0	115.4	K59 T121	H57-K59 PolarHBondContact O-N 3.08Å; H57-T121 WeakPolarHBondContact CA-O 3.3Å; H57-T121 PolarHBondContact N-O 3.41Å; H57-T121 PolarHBondContact N-OG1 3.42Å; H57-T121 VanDerWaalsContact N-OG1 3.12Å
58	Y	93.2	Very high	90.6	Very high	91 Å²	91	47 Å²	47	36%	0.357	24%	0.236	S	C	.	.			trans	-61.7	132.3	167.1	179.6	-95.8	0	0	0	110.7	I50 Q54 P55 I56 I60 V120 T121	I50-Y58 HydrophobicContact CG2-CD1 4.31Å; I50-Y58 HydrophobicContact CG2-CE1 3.88Å; Q54-Y58 HydrophobicContact CB-CD1 4.1Å; Q54-Y58 HydrophobicContact CB-CD2 4.44Å; Q54-Y58 HydrophobicContact CB-CG 3.96Å; Q54-Y58 HydrophobicContact CG-CD1 4.16Å; Q54-Y58 HydrophobicContact CG-CE1 4.26Å; Q54-Y58 HydrophobicContact CG-CG 4.3Å; P55-Y58 HydrophobicContact CG-CD2 4.41Å; P55-Y58 WeakPolarHBondContact O-CB 3.45Å; P55-Y58 PolarHBondContact O-N 3.45Å; I56-Y58 PolarHBondContact O-N 3.31Å; Y58-I60 PolarHBondContact O-N 2.75Å; Y58-V120 CarbonylContact O-C 3.49Å; Y58-V120 WeakPolarHBondContact O-CA 3.21Å; Y58-V120 WeakPolarHBondContact O-CB 3.39Å; Y58-T121 HydrophobicContact CD1-CG2 4.37Å; Y58-T121 PolarHBondContact N-OG1 3.38Å; Y58-T121 PolarHBondContact O-N 2.86Å
59	K	94.2	Very high	90	Very high	97 Å²	97	51 Å²	51	42%	0.422	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105.5	-175.9	-170.6	-158.9	-171.3	84.1	0	111.1	H57 E118	H57-K59 PolarHBondContact O-N 3.08Å; K59-E118 HydrophobicContact CG-CG 4.39Å; K59-E118 IonicContact NZ-OE1 3.42Å; K59-E118 PolarHBondContact NZ-OE1 3.07Å
60	I	93.7	Very high	89.4	Confident	16 Å²	16	50.8 Å²	50.8	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-39.8	178	-56.1	178.2	0	0	0	111	Y48 I50 Y58 I110 L119 T121 L166	Y48-I60 WeakPolarHBondContact CD1-O 3.35Å; Y48-I60 HydrophobicContact CD2-CG2 3.93Å; Y48-I60 HydrophobicContact CG-CG2 3.83Å; I50-I60 HydrophobicContact CG2-CG1 4.36Å; I50-I60 HydrophobicContact CG2-CG2 4.29Å; Y58-I60 PolarHBondContact O-N 2.75Å; I60-I110 HydrophobicContact CD1-CG2 3.68Å; I60-L119 HydrophobicContact CB-CB 4.45Å; I60-L119 HydrophobicContact CB-CD2 3.93Å; I60-L119 HydrophobicContact CB-CG 4.04Å; I60-L119 HydrophobicContact CD1-CD2 4.39Å; I60-L119 HydrophobicContact CD1-CG 4.26Å; I60-L119 HydrophobicContact CG2-CD2 3.72Å; I60-L119 HydrophobicContact CG2-CG 4.39Å; I60-L119 PolarHBondContact N-O 2.64Å; I60-T121 HydrophobicContact CD1-CG2 3.91Å; I60-T121 HydrophobicContact CG1-CG2 3.95Å; I60-L166 HydrophobicContact CD1-CD1 4.48Å; I60-L166 HydrophobicContact CD1-CD2 4.09Å; I60-L166 HydrophobicContact CG2-CD1 3.67Å
61	G	91.4	Very high	88.6	Confident	9 Å²	9	50.6 Å²	50.6	9%	0.093	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.5	-176	-177.9	0	0	0	0	0	113.7	L119	G61-L119 PolarHBondContact N-O 3.34Å; G61-L119 PolarHBondContact O-N 2.75Å
62	Q	91.9	Very high	87.7	Confident	28 Å²	28	54.9 Å²	54.9	13%	0.131	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	97.8	173.1	-166.4	174.6	6.9	0	0	110.7	N64 K65 D66 T116	Q62-N64 VanDerWaalsContact C-N 3.27Å; Q62-N64 PolarHBondContact O-N 3.22Å; Q62-K65 HydrophobicContact CB-CD 4.41Å; Q62-K65 PolarHBondContact O-N 3.3Å; Q62-K65 VanDerWaalsContact OE1-CE 3.26Å; Q62-D66 PolarHBondContact N-OD2 2.68Å; Q62-D66 PolarHBondContact O-N 3.3Å; Q62-D66 VanDerWaalsContact O-OD2 3.06Å; Q62-T116 PolarHBondContact NE2-O 3.36Å
63	I	90.6	Very high	86.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-52.2	-42	-163.8	-63.4	174.6	0	0	0	112.1	L46 K65 D66 L67 Y101 L112 S117 V148 I162 I164	L46-I63 HydrophobicContact CD1-CB 4.36Å; L46-I63 HydrophobicContact CD1-CG1 4.4Å; L46-I63 HydrophobicContact CD1-CG2 3.94Å; I63-K65 PolarHBondContact O-N 2.64Å; I63-D66 PolarHBondContact O-N 3.35Å; I63-L67 WeakPolarHBondContact O-CA 3.44Å; I63-L67 WeakPolarHBondContact O-CB 3.05Å; I63-L67 PolarHBondContact O-N 3.08Å; I63-Y101 HydrophobicContact CB-CD1 4.4Å; I63-Y101 HydrophobicContact CG2-CD1 3.88Å; I63-Y101 HydrophobicContact CG2-CE1 3.92Å; I63-L112 HydrophobicContact CD1-CD1 3.65Å; I63-L112 HydrophobicContact CD1-CD2 4.06Å; I63-S117 PolarHBondContact N-O 3.12Å; I63-V148 HydrophobicContact CD1-CG1 4.3Å; I63-V148 HydrophobicContact CD1-CG2 4.34Å; I63-I162 HydrophobicContact CG2-CD1 3.28Å; I63-I164 HydrophobicContact CD1-CD1 3.64Å; I63-I164 HydrophobicContact CG1-CD1 4.24Å
64	N	86.8	Confident	85.6	Confident	32 Å²	32	66.5 Å²	66.5	17%	0.171	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-36.5	-178.4	67.9	2.1	0	0	0	113.8	Q62 L68 L84 Y101 S117	Q62-N64 VanDerWaalsContact C-N 3.27Å; Q62-N64 PolarHBondContact O-N 3.22Å; N64-L68 WeakPolarHBondContact O-CB 3.48Å; N64-L68 PolarHBondContact O-N 3.06Å; N64-L68 VanDerWaalsContact O-N 3.07Å; N64-L84 HydrophobicContact CB-CD2 3.97Å; N64-Y101 VanDerWaalsContact CB-OH 3.32Å; N64-Y101 WeakPolarHBondContact CB-OH 3.46Å; N64-S117 WeakPolarHBondContact CB-OG 3.11Å; N64-S117 PolarHBondContact N-OG 3.41Å; N64-S117 PolarHBondContact ND2-OG 3.17Å; N64-S117 PolarHBondContact OD1-OG 3.45Å
65	K	85.6	Confident	83.9	Confident	120 Å²	120	72 Å²	72	52%	0.522	35%	0.348	S	S	.	.	H	α-helix	trans	-74.2	-47.8	176.9	-71.9	171.7	-178.3	165.2	0	110.9	Q62 I63 L67 L68 L69	Q62-K65 HydrophobicContact CB-CD 4.41Å; Q62-K65 PolarHBondContact O-N 3.3Å; Q62-K65 VanDerWaalsContact OE1-CE 3.26Å; I63-K65 PolarHBondContact O-N 2.64Å; K65-L67 VanDerWaalsContact C-N 3.34Å; K65-L67 PolarHBondContact O-N 2.67Å; K65-L68 PolarHBondContact O-N 2.84Å; K65-L69 WeakPolarHBondContact O-CG 3.24Å; K65-L69 PolarHBondContact O-N 2.77Å
66	D	88.7	Confident	82	Confident	51 Å²	51	76 Å²	76	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-37.6	-175	-57.9	-39.1	0	0	0	110.8	L46 Y48 Q62 I63 L69 K70	L46-D66 HydrophobicContact CD1-CB 4.35Å; L46-D66 HydrophobicContact CD2-CB 4.27Å; Y48-D66 HydrophobicContact CE1-CB 4.5Å; Y48-D66 WeakPolarHBondContact CE1-OD2 3.21Å; Y48-D66 PolarHBondContact OH-OD2 2.61Å; Y48-D66 VanDerWaalsContact OH-OD2 3.05Å; Q62-D66 PolarHBondContact N-OD2 2.68Å; Q62-D66 PolarHBondContact O-N 3.3Å; Q62-D66 VanDerWaalsContact O-OD2 3.06Å; I63-D66 PolarHBondContact O-N 3.35Å; D66-L69 PolarHBondContact O-N 2.9Å; D66-K70 WeakPolarHBondContact O-CB 3.32Å; D66-K70 PolarHBondContact O-N 2.91Å
67	L	85.6	Confident	80	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-69.6	-39.9	171.5	-168	67.8	0	0	0	112.5	Y44 L46 I63 K65 L69 K70 I71 L80 L84 I150 I162	Y44-L67 HydrophobicContact CD1-CD1 4.19Å; Y44-L67 HydrophobicContact CD2-CD1 3.72Å; Y44-L67 HydrophobicContact CE2-CD1 4.43Å; Y44-L67 HydrophobicContact CG-CD1 3.58Å; L46-L67 HydrophobicContact CD1-CB 4.49Å; I63-L67 WeakPolarHBondContact O-CA 3.44Å; I63-L67 WeakPolarHBondContact O-CB 3.05Å; I63-L67 PolarHBondContact O-N 3.08Å; K65-L67 VanDerWaalsContact C-N 3.34Å; K65-L67 PolarHBondContact O-N 2.67Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.05Å; L67-K70 PolarHBondContact O-N 3.01Å; L67-I71 HydrophobicContact CD1-CD1 4.26Å; L67-I71 HydrophobicContact CD1-CG1 4.45Å; L67-I71 HydrophobicContact CD2-CD1 4.28Å; L67-I71 HydrophobicContact CG-CD1 3.78Å; L67-I71 HydrophobicContact CG-CG1 4.32Å; L67-I71 WeakPolarHBondContact O-CB 3.25Å; L67-I71 VanDerWaalsContact O-CG1 3.29Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.21Å; L67-L80 HydrophobicContact CD2-CD2 3.94Å; L67-L84 HydrophobicContact CD2-CD1 4.25Å; L67-L84 HydrophobicContact CG-CD1 4.39Å; L67-I150 HydrophobicContact CD2-CD1 3.6Å; L67-I162 HydrophobicContact CD1-CD1 4.45Å; L67-I162 HydrophobicContact CD2-CD1 3.78Å; L67-I162 HydrophobicContact CD2-CG1 4.39Å
68	L	82.4	Confident	78.3	Confident	24 Å²	24	76 Å²	76	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-40.1	174.2	179.8	61.5	0	0	0	111.4	N64 K65 K72 L81 L84 L85	N64-L68 WeakPolarHBondContact O-CB 3.48Å; N64-L68 PolarHBondContact O-N 3.06Å; N64-L68 VanDerWaalsContact O-N 3.07Å; K65-L68 PolarHBondContact O-N 2.84Å; L68-K72 HydrophobicContact CD1-CD 4.35Å; L68-K72 HydrophobicContact CD1-CG 4.3Å; L68-K72 HydrophobicContact CG-CD 4.29Å; L68-K72 VanDerWaalsContact O-CB 3.32Å; L68-K72 WeakPolarHBondContact O-CB 3.49Å; L68-K72 VanDerWaalsContact O-CG 3.27Å; L68-K72 WeakPolarHBondContact O-CG 3.42Å; L68-K72 PolarHBondContact O-N 2.88Å; L68-L81 HydrophobicContact CD1-CD1 3.72Å; L68-L84 HydrophobicContact CD1-CB 4.08Å; L68-L85 HydrophobicContact CD1-CD2 4.1Å; L68-L85 HydrophobicContact CD1-CG 4.35Å
69	L	81.8	Confident	76.9	Confident	108 Å²	108	78.2 Å²	78.2	57%	0.565	38%	0.379	S	S	*	.	H	α-helix	trans	-62.9	-42.4	172.5	-75	166.4	0	0	0	111.8	K65 D66 L67 K73	K65-L69 WeakPolarHBondContact O-CG 3.24Å; K65-L69 PolarHBondContact O-N 2.77Å; D66-L69 PolarHBondContact O-N 2.9Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.05Å; L69-K73 PolarHBondContact O-N 2.93Å
70	K	80.1	Confident	75.6	Confident	78 Å²	78	73.7 Å²	73.7	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-69.2	-41	178.2	-162.6	157.5	-173.1	165.4	0	112.4	Q45 L46 D66 L67 K73 I74	Q45-K70 VanDerWaalsContact O-CD 3.27Å; Q45-K70 WeakPolarHBondContact O-CD 3.28Å; Q45-K70 VanDerWaalsContact O-CE 3.29Å; Q45-K70 WeakPolarHBondContact O-CE 3.34Å; Q45-K70 PolarHBondContact O-NZ 3.16Å; L46-K70 HydrophobicContact CD2-CD 4.1Å; D66-K70 WeakPolarHBondContact O-CB 3.32Å; D66-K70 PolarHBondContact O-N 2.91Å; L67-K70 PolarHBondContact O-N 3.01Å; K70-K73 PolarHBondContact O-N 3.17Å; K70-I74 HydrophobicContact CG-CD1 4.1Å; K70-I74 WeakPolarHBondContact O-CD1 3.25Å; K70-I74 VanDerWaalsContact O-CG1 3.29Å; K70-I74 WeakPolarHBondContact O-CG1 3.46Å; K70-I74 PolarHBondContact O-N 3.43Å
71	I	76.5	Confident	74.5	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-69.6	-39.5	178.1	-67.2	172.3	0	0	0	111.7	Y44 L67 K73 I74 N75 L80 L81 L84	Y44-I71 HydrophobicContact CD1-CG1 4.34Å; Y44-I71 HydrophobicContact CE1-CD1 4.16Å; Y44-I71 HydrophobicContact CE1-CG1 3.65Å; Y44-I71 HydrophobicContact CE2-CD1 3.87Å; Y44-I71 HydrophobicContact CE2-CG1 4.29Å; L67-I71 HydrophobicContact CD1-CD1 4.26Å; L67-I71 HydrophobicContact CD1-CG1 4.45Å; L67-I71 HydrophobicContact CD2-CD1 4.28Å; L67-I71 HydrophobicContact CG-CD1 3.78Å; L67-I71 HydrophobicContact CG-CG1 4.32Å; L67-I71 WeakPolarHBondContact O-CB 3.25Å; L67-I71 VanDerWaalsContact O-CG1 3.29Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.21Å; I71-K73 PolarHBondContact O-N 3.41Å; I71-K73 VanDerWaalsContact O-N 3.17Å; I71-I74 PolarHBondContact O-N 3.07Å; I71-N75 PolarHBondContact O-N 2.71Å; I71-L80 HydrophobicContact CD1-CD2 3.8Å; I71-L80 HydrophobicContact CD1-CG 4.42Å; I71-L81 HydrophobicContact CG2-CB 4.2Å; I71-L81 HydrophobicContact CG2-CD1 3.97Å; I71-L81 HydrophobicContact CG2-CD2 4.42Å; I71-L81 HydrophobicContact CG2-CG 4.42Å; I71-L84 HydrophobicContact CD1-CD1 3.76Å
72	K	73.6	Confident	73.3	Confident	127 Å²	127	79.4 Å²	79.4	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-57.9	-26.9	173.4	-80.3	178.1	176.6	-179.6	0	113	L68	L68-K72 HydrophobicContact CD1-CD 4.35Å; L68-K72 HydrophobicContact CD1-CG 4.3Å; L68-K72 HydrophobicContact CG-CD 4.29Å; L68-K72 VanDerWaalsContact O-CB 3.32Å; L68-K72 WeakPolarHBondContact O-CB 3.49Å; L68-K72 VanDerWaalsContact O-CG 3.27Å; L68-K72 WeakPolarHBondContact O-CG 3.42Å; L68-K72 PolarHBondContact O-N 2.88Å
73	K	69.1	Low	72.2	Confident	186 Å²	186	80.8 Å²	80.8	81%	0.809	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-15.1	173.3	-69.2	179.5	177.2	-177.5	0	114.5	L69 K70 I71	L69-K73 PolarHBondContact O-N 2.93Å; K70-K73 PolarHBondContact O-N 3.17Å; I71-K73 PolarHBondContact O-N 3.41Å; I71-K73 VanDerWaalsContact O-N 3.17Å
74	I	66.2	Low	71.1	Confident	80 Å²	80	81.1 Å²	81.1	41%	0.41	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-17.8	-172.5	-69.2	169.2	0	0	0	112.6	Y44 K70 I71 K76	Y44-I74 HydrophobicContact CD1-CD1 4.36Å; Y44-I74 HydrophobicContact CE1-CD1 4.21Å; K70-I74 HydrophobicContact CG-CD1 4.1Å; K70-I74 WeakPolarHBondContact O-CD1 3.25Å; K70-I74 VanDerWaalsContact O-CG1 3.29Å; K70-I74 WeakPolarHBondContact O-CG1 3.46Å; K70-I74 PolarHBondContact O-N 3.43Å; I71-I74 PolarHBondContact O-N 3.07Å; I74-K76 VanDerWaalsContact C-N 3.27Å; I74-K76 PolarHBondContact O-N 3.43Å; I74-K76 VanDerWaalsContact O-N 3.08Å
75	N	55.2	Low	70.1	Confident	157 Å²	157	82.7 Å²	82.7	84%	0.84	40%	0.402	S	S	*	.			trans	54.5	31.8	164	-148.8	19.9	0	0	0	116.1	I71	I71-N75 PolarHBondContact O-N 2.71Å
76	K	52.4	Low	68.8	Low	159 Å²	159	82 Å²	82	69%	0.691	40%	0.404	S	S	*	.			trans	-112.5	137.8	175.2	-79.7	-174.4	174.3	180	0	112	I74 M78	I74-K76 VanDerWaalsContact C-N 3.27Å; I74-K76 PolarHBondContact O-N 3.43Å; I74-K76 VanDerWaalsContact O-N 3.08Å; K76-M78 PolarHBondContact O-N 2.85Å
77	T	48.1	Very low	67.3	Low	153 Å²	153	82.6 Å²	82.6	94%	0.939	41%	0.405	S	S	*	.			trans	-67.9	96.7	178.4	34.1	0	0	0	0	111.7
78	M	57.5	Low	65.8	Low	77 Å²	77	86.3 Å²	86.3	38%	0.379	43%	0.431	S	S	.	.			trans	-126.2	138.2	178.9	-90	-74.1	-176.1	0	0	110.8	P42 K76 L80 L81	P42-M78 HydrophobicContact CB-CE 3.89Å; P42-M78 HydrophobicContact CB-SD 4.03Å; P42-M78 HydrophobicContact CG-CE 4.25Å; P42-M78 HydrophobicContact CG-SD 3.87Å; K76-M78 PolarHBondContact O-N 2.85Å; M78-L80 PolarHBondContact O-N 3.38Å; M78-L81 PolarHBondContact O-N 3.16Å
79	K	63	Low	63.9	Low	138 Å²	138	88.4 Å²	88.4	60%	0.6	45%	0.447	S	S	*	.	H	α-helix	trans	-50.7	-36.1	-179.4	-69.9	179.6	178.3	176.2	0	113	L81 N82 Y83	K79-L81 VanDerWaalsContact C-N 3.31Å; K79-L81 PolarHBondContact O-N 3.41Å; K79-N82 PolarHBondContact O-N 3.37Å; K79-Y83 HydrophobicContact CB-CE2 4.49Å; K79-Y83 VanDerWaalsContact O-CD2 3.3Å; K79-Y83 WeakPolarHBondContact O-CD2 3.5Å
80	L	68	Low	62	Low	1 Å²	1	89.8 Å²	89.8	1%	0.005	46%	0.463	C	S	.	.	H	α-helix	trans	-59.8	-34.7	-179.3	-173.6	68	0	0	0	113.6	Y44 L67 I71 M78 N82 Y83 L84 L99 I150 I159	Y44-L80 HydrophobicContact CE2-CD2 3.83Å; L67-L80 HydrophobicContact CD2-CD2 3.94Å; I71-L80 HydrophobicContact CD1-CD2 3.8Å; I71-L80 HydrophobicContact CD1-CG 4.42Å; M78-L80 PolarHBondContact O-N 3.38Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.27Å; L80-Y83 PolarHBondContact O-N 3.45Å; L80-L84 HydrophobicContact CD2-CD1 4.29Å; L80-L84 HydrophobicContact CG-CD1 3.93Å; L80-L84 HydrophobicContact CG-CG 4.27Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 2.85Å; L80-L99 HydrophobicContact CD1-CD1 4.24Å; L80-L99 HydrophobicContact CD1-CD2 4.15Å; L80-I150 HydrophobicContact CD1-CD1 3.86Å; L80-I150 HydrophobicContact CD1-CG2 4.27Å; L80-I150 HydrophobicContact CD2-CD1 3.82Å; L80-I150 HydrophobicContact CG-CD1 4.48Å; L80-I159 HydrophobicContact CB-CG2 4.27Å; L80-I159 HydrophobicContact CD1-CB 4.46Å; L80-I159 HydrophobicContact CD1-CG2 4Å
81	L	68.9	Low	60.1	Low	40 Å²	40	91.1 Å²	91.1	21%	0.209	48%	0.482	C	S	.	.	H	α-helix	trans	-61.6	-40.3	-179.6	178.6	57.7	0	0	0	111.4	L68 I71 M78 K79 L84 L85	L68-L81 HydrophobicContact CD1-CD1 3.72Å; I71-L81 HydrophobicContact CG2-CB 4.2Å; I71-L81 HydrophobicContact CG2-CD1 3.97Å; I71-L81 HydrophobicContact CG2-CD2 4.42Å; I71-L81 HydrophobicContact CG2-CG 4.42Å; M78-L81 PolarHBondContact O-N 3.16Å; K79-L81 VanDerWaalsContact C-N 3.31Å; K79-L81 PolarHBondContact O-N 3.41Å; L81-L84 PolarHBondContact O-N 2.84Å; L81-L85 HydrophobicContact CD1-CD1 3.95Å; L81-L85 HydrophobicContact CD1-CG 4.07Å; L81-L85 HydrophobicContact CG-CD1 3.92Å; L81-L85 HydrophobicContact CG-CG 4.47Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 VanDerWaalsContact O-CG 3.25Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 3.07Å
82	N	66.3	Low	58.1	Low	105 Å²	105	95 Å²	95	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-67	-38.1	178	-69.4	7	0	0	0	111.8	K79 L80 L85 N86	K79-N82 PolarHBondContact O-N 3.37Å; L80-N82 VanDerWaalsContact C-N 3.31Å; L80-N82 PolarHBondContact O-N 3.27Å; N82-L85 PolarHBondContact O-N 2.86Å; N82-N86 VanDerWaalsContact O-CB 3.32Å; N82-N86 WeakPolarHBondContact O-CB 3.01Å; N82-N86 PolarHBondContact O-N 2.86Å; N82-N86 PolarHBondContact O-OD1 3.03Å
83	Y	69.2	Low	56.5	Low	58 Å²	58	96 Å²	96	23%	0.227	53%	0.529	C	S	.	.	H	α-helix	trans	-68.1	-41.9	175.9	-67.9	-64.8	0	0	0	112.4	K79 L80 L85 N86 Q87 L97 L99 L152	K79-Y83 HydrophobicContact CB-CE2 4.49Å; K79-Y83 VanDerWaalsContact O-CD2 3.3Å; K79-Y83 WeakPolarHBondContact O-CD2 3.5Å; L80-Y83 PolarHBondContact O-N 3.45Å; Y83-L85 VanDerWaalsContact C-N 3.35Å; Y83-L85 PolarHBondContact O-N 2.71Å; Y83-N86 PolarHBondContact O-N 3.31Å; Y83-Q87 PolarHBondContact O-N 3.03Å; Y83-Q87 VanDerWaalsContact O-N 3.09Å; Y83-L97 HydrophobicContact CE1-CB 4.14Å; Y83-L97 HydrophobicContact CE1-CD1 4.38Å; Y83-L97 HydrophobicContact CE1-CD2 4.18Å; Y83-L97 HydrophobicContact CE1-CG 4.48Å; Y83-L99 HydrophobicContact CD2-CD2 4.48Å; Y83-L99 HydrophobicContact CG-CD2 4.13Å; Y83-L152 HydrophobicContact CD1-CD2 4.14Å; Y83-L152 HydrophobicContact CD2-CD2 4.38Å; Y83-L152 HydrophobicContact CE1-CD2 3.87Å; Y83-L152 HydrophobicContact CE2-CD2 4.11Å; Y83-L152 HydrophobicContact CG-CD2 4.4Å
84	L	67.9	Low	54.9	Low	7 Å²	7	92.3 Å²	92.3	4%	0.037	53%	0.527	C	S	.	.	H	α-helix	trans	-64.3	-37.5	175.1	-70.7	168.9	0	0	0	112.4	N64 L67 L68 I71 L80 L81 L99 Y101	N64-L84 HydrophobicContact CB-CD2 3.97Å; L67-L84 HydrophobicContact CD2-CD1 4.25Å; L67-L84 HydrophobicContact CG-CD1 4.39Å; L68-L84 HydrophobicContact CD1-CB 4.08Å; I71-L84 HydrophobicContact CD1-CD1 3.76Å; L80-L84 HydrophobicContact CD2-CD1 4.29Å; L80-L84 HydrophobicContact CG-CD1 3.93Å; L80-L84 HydrophobicContact CG-CG 4.27Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 2.85Å; L81-L84 PolarHBondContact O-N 2.84Å; L84-L99 HydrophobicContact CD2-CD1 3.73Å; L84-L99 HydrophobicContact CG-CD1 4.03Å; L84-Y101 VanDerWaalsContact CD2-OH 3.31Å; L84-Y101 WeakPolarHBondContact CD2-OH 3.21Å
85	L	66	Low	54	Low	65 Å²	65	92.7 Å²	92.7	34%	0.34	54%	0.537	S	S	.	.	H	α-helix	trans	-70	-43.9	175	-72	170.4	0	0	0	111.8	L68 L81 N82 Y83 Q87 S88	L68-L85 HydrophobicContact CD1-CD2 4.1Å; L68-L85 HydrophobicContact CD1-CG 4.35Å; L81-L85 HydrophobicContact CD1-CD1 3.95Å; L81-L85 HydrophobicContact CD1-CG 4.07Å; L81-L85 HydrophobicContact CG-CD1 3.92Å; L81-L85 HydrophobicContact CG-CG 4.47Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 VanDerWaalsContact O-CG 3.25Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 3.07Å; N82-L85 PolarHBondContact O-N 2.86Å; Y83-L85 VanDerWaalsContact C-N 3.35Å; Y83-L85 PolarHBondContact O-N 2.71Å; L85-Q87 VanDerWaalsContact C-N 3.27Å; L85-Q87 PolarHBondContact O-N 2.96Å; L85-S88 WeakPolarHBondContact O-CB 3.45Å; L85-S88 PolarHBondContact O-N 2.77Å; L85-S88 PolarHBondContact O-OG 3.39Å
86	N	58.9	Low	54	Low	104 Å²	104	90 Å²	90	56%	0.556	53%	0.53	S	S	*	.	H	α-helix	trans	-65.7	-27.5	179.6	-72.5	1.5	0	0	0	113.1	N82 Y83 S88 S89	N82-N86 VanDerWaalsContact O-CB 3.32Å; N82-N86 WeakPolarHBondContact O-CB 3.01Å; N82-N86 PolarHBondContact O-N 2.86Å; N82-N86 PolarHBondContact O-OD1 3.03Å; Y83-N86 PolarHBondContact O-N 3.31Å; N86-S88 PolarHBondContact O-N 2.84Å; N86-S89 PolarHBondContact O-OG 2.92Å
87	Q	57.2	Low	54.4	Low	65 Å²	65	85.1 Å²	85.1	30%	0.304	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-3.2	170.4	-75.8	-168	-36.2	0	0	114	Y83 L85 L99	Y83-Q87 PolarHBondContact O-N 3.03Å; Y83-Q87 VanDerWaalsContact O-N 3.09Å; L85-Q87 VanDerWaalsContact C-N 3.27Å; L85-Q87 PolarHBondContact O-N 2.96Å; Q87-L99 VanDerWaalsContact NE2-N 3.16Å
88	S	53.2	Low	55.5	Low	77 Å²	77	82.3 Å²	82.3	54%	0.538	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	3.1	-177.7	71.9	0	0	0	0	115.6	L85 N86	L85-S88 WeakPolarHBondContact O-CB 3.45Å; L85-S88 PolarHBondContact O-N 2.77Å; L85-S88 PolarHBondContact O-OG 3.39Å; N86-S88 PolarHBondContact O-N 2.84Å
89	S	42.7	Very low	56.6	Low	68 Å²	68	78.7 Å²	78.7	48%	0.476	47%	0.472	S	S	.	.			trans	-112.3	107	-179.6	48.2	0	0	0	0	112.6	N86 S91	N86-S89 PolarHBondContact O-OG 2.92Å; S89-S91 VanDerWaalsContact C-N 3.31Å; S89-S91 PolarHBondContact O-N 2.93Å
90	P	42	Very low	57.7	Low	137 Å²	137	73.2 Å²	73.2	89%	0.89	45%	0.449	S	S	*	.			trans	-73.1	15.8	-166.6	-22.6	35.4	0	0	0	119.3
91	S	40.2	Very low	58.7	Low	107 Å²	107	73.2 Å²	73.2	75%	0.748	45%	0.449	S	S	*	.			trans	-146.7	61.9	-163.1	66.2	0	0	0	0	117.1	S89	S89-S91 VanDerWaalsContact C-N 3.31Å; S89-S91 PolarHBondContact O-N 2.93Å
92	S	35.2	Very low	59.7	Low	85 Å²	85	74.7 Å²	74.7	59%	0.594	45%	0.454	S	S	*	.			trans	-168.4	109.2	154.5	42.3	0	0	0	0	112.9	S94	S92-S94 VanDerWaalsContact C-N 3.27Å; S92-S94 PolarHBondContact O-N 2.9Å
93	P	38.6	Very low	60.9	Low	148 Å²	148	71.5 Å²	71.5	96%	0.961	44%	0.437	S	S	*	.			trans	-83.7	61	-177.5	35.2	-36.3	0	0	0	112.4
94	S	37.3	Very low	61.7	Low	108 Å²	108	72.7 Å²	72.7	76%	0.755	44%	0.444	S	S	*	.			trans	-148.8	29.4	-177.6	72.5	0	0	0	0	115.4	S92	S92-S94 VanDerWaalsContact C-N 3.27Å; S92-S94 PolarHBondContact O-N 2.9Å
95	S	45.6	Very low	62.6	Low	88 Å²	88	76.1 Å²	76.1	62%	0.615	47%	0.466	S	S	*	.			trans	-127.4	123.1	166	78.1	0	0	0	0	111.2	L97	S95-L97 PolarHBondContact O-N 2.84Å
96	S	55.6	Low	63.5	Low	99 Å²	99	79.1 Å²	79.1	69%	0.692	49%	0.489	S	S	*	.			trans	-88.9	30.3	-172	48.8	0	0	0	0	113.4
97	L	60.8	Low	64.9	Low	58 Å²	58	75.1 Å²	75.1	30%	0.304	47%	0.468	S	S	.	.			trans	-131.5	88.6	-165.3	-81	154.3	0	0	0	110.8	Y83 S95 L152 N154	Y83-L97 HydrophobicContact CE1-CB 4.14Å; Y83-L97 HydrophobicContact CE1-CD1 4.38Å; Y83-L97 HydrophobicContact CE1-CD2 4.18Å; Y83-L97 HydrophobicContact CE1-CG 4.48Å; S95-L97 PolarHBondContact O-N 2.84Å; L97-L152 HydrophobicContact CD2-CB 4.43Å; L97-L152 HydrophobicContact CD2-CD1 3.78Å; L97-L152 HydrophobicContact CD2-CD2 3.9Å; L97-L152 HydrophobicContact CD2-CG 4.25Å; L97-N154 WeakPolarHBondContact CD2-ND2 3.4Å; L97-N154 VanDerWaalsContact CD2-OD1 3.26Å; L97-N154 WeakPolarHBondContact CD2-OD1 3.41Å
98	L	71.2	Confident	66.4	Low	94 Å²	94	77.9 Å²	77.9	49%	0.492	49%	0.485	S	S	.	.			trans	-97.6	145.7	170.8	-69.6	169.4	0	0	0	110.6	N153	L98-N153 HydrophobicContact CB-CB 4.09Å; L98-N153 PolarHBondContact O-N 3.43Å
99	L	80.9	Confident	68.2	Low	1 Å²	1	75.7 Å²	75.7	1%	0.005	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.7	166.2	-62.7	176.5	0	0	0	109.8	L80 Y83 L84 Q87 Y101 I150 Q151 L152 I159	L80-L99 HydrophobicContact CD1-CD1 4.24Å; L80-L99 HydrophobicContact CD1-CD2 4.15Å; Y83-L99 HydrophobicContact CD2-CD2 4.48Å; Y83-L99 HydrophobicContact CG-CD2 4.13Å; L84-L99 HydrophobicContact CD2-CD1 3.73Å; L84-L99 HydrophobicContact CG-CD1 4.03Å; Q87-L99 VanDerWaalsContact NE2-N 3.16Å; L99-Y101 HydrophobicContact CB-CE2 3.73Å; L99-Y101 VanDerWaalsContact CD1-OH 3.3Å; L99-Y101 WeakPolarHBondContact CD1-OH 3.46Å; L99-I150 HydrophobicContact CB-CG2 4.18Å; L99-I150 HydrophobicContact CD2-CG2 3.94Å; L99-I150 HydrophobicContact CG-CG2 4.48Å; L99-Q151 WeakPolarHBondContact CA-O 3.48Å; L99-L152 HydrophobicContact CD2-CD2 4.17Å; L99-I159 HydrophobicContact CD2-CD1 3.26Å
100	L	86	Confident	70.6	Confident	23 Å²	23	72.5 Å²	72.5	12%	0.12	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.7	169.1	-66	177.6	0	0	0	109.9	E114 T115 I150 Q151 N153	L100-E114 WeakPolarHBondContact CA-O 3.31Å; L100-E114 HydrophobicContact CD2-CB 4.48Å; L100-T115 HydrophobicContact CD2-CG2 4.19Å; L100-I150 CarbonylContact O-C 3.55Å; L100-I150 WeakPolarHBondContact O-CA 3.42Å; L100-Q151 PolarHBondContact N-O 2.8Å; L100-Q151 PolarHBondContact O-N 3.36Å; L100-N153 HydrophobicContact CD1-CB 4.19Å; L100-N153 HydrophobicContact CG-CB 4.26Å
101	Y	89.8	Confident	73	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113	-175.9	-60.7	-100.5	0	0	0	110	I63 N64 L84 L99 E114 S117 Y149 I150	I63-Y101 HydrophobicContact CB-CD1 4.4Å; I63-Y101 HydrophobicContact CG2-CD1 3.88Å; I63-Y101 HydrophobicContact CG2-CE1 3.92Å; N64-Y101 VanDerWaalsContact CB-OH 3.32Å; N64-Y101 WeakPolarHBondContact CB-OH 3.46Å; L84-Y101 VanDerWaalsContact CD2-OH 3.31Å; L84-Y101 WeakPolarHBondContact CD2-OH 3.21Å; L99-Y101 HydrophobicContact CB-CE2 3.73Å; L99-Y101 VanDerWaalsContact CD1-OH 3.3Å; L99-Y101 WeakPolarHBondContact CD1-OH 3.46Å; Y101-E114 PolarHBondContact N-O 2.8Å; Y101-E114 WeakPolarHBondContact O-CA 3.42Å; Y101-S117 VanDerWaalsContact CD2-CB 3.46Å; Y101-Y149 WeakPolarHBondContact CA-O 3.38Å; Y101-I150 HydrophobicContact CD1-CD1 4.49Å; Y101-I150 HydrophobicContact CD1-CG1 4.14Å; Y101-I150 HydrophobicContact CD1-CG2 4.28Å; Y101-I150 HydrophobicContact CE1-CD1 4.02Å; Y101-I150 HydrophobicContact CE1-CG1 4.14Å; Y101-I150 HydrophobicContact CE1-CG2 4.03Å
102	K	89.3	Confident	75.6	Confident	72 Å²	72	65.1 Å²	65.1	31%	0.313	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.5	-173.3	-65.9	-167.5	175.5	-153.1	0	112.3	Q104 E114 V148 Y149	K102-Q104 PolarHBondContact O-N 2.94Å; K102-E114 WeakPolarHBondContact CE-OE1 3.49Å; K102-E114 WeakPolarHBondContact CE-OE2 3.43Å; K102-E114 HydrophobicContact CG-CG 4.36Å; K102-E114 IonicContact NZ-OE1 3.43Å; K102-E114 PolarHBondContact NZ-OE1 3.18Å; K102-E114 IonicContact NZ-OE2 3.64Å; K102-E114 PolarHBondContact NZ-OE2 2.92Å; K102-V148 CarbonylContact O-C 3.59Å; K102-V148 VanDerWaalsContact O-CA 3.28Å; K102-V148 WeakPolarHBondContact O-CA 3.33Å; K102-Y149 PolarHBondContact N-O 3.27Å; K102-Y149 PolarHBondContact O-N 3.11Å
103	L	90.5	Very high	78.2	Confident	38 Å²	38	64.3 Å²	64.3	20%	0.199	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	131	168.3	-79.2	161.1	0	0	0	110	T105 I110 L112 V148	L103-T105 VanDerWaalsContact C-N 3.27Å; L103-T105 PolarHBondContact O-N 3.29Å; L103-I110 HydrophobicContact CD1-CD1 4.09Å; L103-I110 HydrophobicContact CD1-CG1 4.35Å; L103-I110 HydrophobicContact CD2-CD1 3.72Å; L103-L112 HydrophobicContact CD1-CB 3.98Å; L103-L112 HydrophobicContact CG-CB 4.2Å; L103-L112 HydrophobicContact CG-CD2 4.12Å; L103-V148 HydrophobicContact CD2-CG2 3.78Å; L103-V148 HydrophobicContact CG-CG2 4.3Å
104	Q	86.8	Confident	80.6	Confident	82 Å²	82	61.1 Å²	61.1	38%	0.383	35%	0.351	S	S	.	.	S	Bend	trans	-64.7	-33.8	177.8	171.1	171.4	-18.6	0	0	111.9	K102 H147 Y149	K102-Q104 PolarHBondContact O-N 2.94Å; Q104-H147 HydrophobicContact CB-CB 3.88Å; Q104-H147 WeakPolarHBondContact CB-O 3.38Å; Q104-H147 HydrophobicContact CG-CB 4.48Å; Q104-H147 PolarHBondContact N-O 2.88Å; Q104-H147 VanDerWaalsContact OE1-CB 3.25Å; Q104-Y149 HydrophobicContact CB-CD2 4.16Å; Q104-Y149 HydrophobicContact CB-CE2 3.62Å; Q104-Y149 HydrophobicContact CG-CE2 3.68Å; Q104-Y149 WeakPolarHBondContact CG-OH 3.2Å; Q104-Y149 PolarHBondContact OE1-OH 3.49Å
105	T	85.9	Confident	82.8	Confident	80 Å²	80	60.2 Å²	60.2	49%	0.491	34%	0.341	S	S	.	.	S	Bend	trans	-128.5	127	172.9	41.2	0	0	0	0	108.7	L103 T107	L103-T105 VanDerWaalsContact C-N 3.27Å; L103-T105 PolarHBondContact O-N 3.29Å; T105-T107 WeakPolarHBondContact O-CG2 3.24Å
106	P	84.9	Confident	84.8	Confident	127 Å²	127	58.3 Å²	58.3	83%	0.825	33%	0.326	S	S	*	.			trans	-60.8	138.9	171.1	-22.2	33.6	0	0	0	110.7
107	T	88.7	Confident	86.5	Confident	21 Å²	21	53.6 Å²	53.6	13%	0.129	29%	0.293	C	S	.	.			trans	-129	165.5	177.4	94.1	0	0	0	0	110.9	T105 D109 I110 K122 Y146	T105-T107 WeakPolarHBondContact O-CG2 3.24Å; T107-D109 PolarHBondContact OG1-N 3.48Å; T107-D109 VanDerWaalsContact OG1-N 3.1Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.31Å; T107-I110 PolarHBondContact OG1-N 2.78Å; T107-K122 PolarHBondContact O-NZ 3.37Å; T107-Y146 HydrophobicContact CG2-CD1 3.84Å; T107-Y146 HydrophobicContact CG2-CE1 3.85Å
108	N	89.7	Confident	88	Confident	123 Å²	123	53.7 Å²	53.7	66%	0.658	29%	0.291	S	S	*	.	S	Bend	trans	-101.9	6	169.4	-71.4	-22.4	0	0	0	112.3
109	D	90.4	Very high	89.1	Confident	30 Å²	30	49.2 Å²	49.2	16%	0.16	27%	0.268	C	S	.	.	S	Bend	trans	-93.3	-41.9	-173.6	-52.4	-28.6	0	0	0	111.7	T107 K122 K123 F125 Y146	T107-D109 PolarHBondContact OG1-N 3.48Å; T107-D109 VanDerWaalsContact OG1-N 3.1Å; D109-K122 PolarHBondContact O-N 3.27Å; D109-K123 HydrophobicContact CB-CD 4.38Å; D109-K123 PolarHBondContact O-N 2.78Å; D109-K123 VanDerWaalsContact OD1-CE 3.23Å; D109-K123 WeakPolarHBondContact OD1-CE 3.1Å; D109-K123 IonicContact OD1-NZ 2.67Å; D109-K123 PolarHBondContact OD1-NZ 2.86Å; D109-F125 HydrophobicContact CB-CE1 3.95Å; D109-F125 HydrophobicContact CB-CZ 3.8Å; D109-F125 WeakPolarHBondContact O-CZ 3.19Å; D109-Y146 HydrophobicContact CB-CE1 4.34Å; D109-Y146 WeakPolarHBondContact CB-OH 3.46Å; D109-Y146 VanDerWaalsContact CG-OH 3.29Å; D109-Y146 PolarHBondContact OD2-OH 2.91Å
110	I	93	Very high	89.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	157.5	-176.2	53.2	160.4	0	0	0	110	I60 L103 T107 L119 V120 K122 F125 Y146 L166	I60-I110 HydrophobicContact CD1-CG2 3.68Å; L103-I110 HydrophobicContact CD1-CD1 4.09Å; L103-I110 HydrophobicContact CD1-CG1 4.35Å; L103-I110 HydrophobicContact CD2-CD1 3.72Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.31Å; T107-I110 PolarHBondContact OG1-N 2.78Å; I110-L119 HydrophobicContact CB-CD1 4.18Å; I110-L119 HydrophobicContact CD1-CD1 3.78Å; I110-V120 CarbonylContact C-O 3.53Å; I110-V120 VanDerWaalsContact CA-O 3.28Å; I110-V120 WeakPolarHBondContact CA-O 3.39Å; I110-K122 VanDerWaalsContact C-CB 3.49Å; I110-K122 WeakPolarHBondContact O-CD 3.25Å; I110-F125 HydrophobicContact CG2-CZ 4.28Å; I110-Y146 HydrophobicContact CD1-CD1 3.8Å; I110-Y146 HydrophobicContact CD1-CD2 3.57Å; I110-Y146 HydrophobicContact CD1-CE1 4.24Å; I110-Y146 HydrophobicContact CD1-CE2 4.02Å; I110-Y146 HydrophobicContact CD1-CG 3.43Å; I110-Y146 VanDerWaalsContact CD1-CG 3.43Å; I110-Y146 HydrophobicContact CG1-CD1 4.22Å; I110-Y146 HydrophobicContact CG1-CD2 4.3Å; I110-Y146 HydrophobicContact CG1-CE1 4.19Å; I110-Y146 HydrophobicContact CG1-CE2 4.26Å; I110-Y146 HydrophobicContact CG1-CG 4.27Å; I110-Y146 HydrophobicContact CG2-CE2 4.11Å; I110-L166 HydrophobicContact CG2-CD2 4.36Å
111	D	93.2	Very high	90.2	Very high	77 Å²	77	49 Å²	49	41%	0.412	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.7	167.3	-167.5	24.5	0	0	0	109.9	V120 K122	D111-V120 HydrophobicContact CB-CG2 3.85Å; D111-V120 PolarHBondContact N-O 3.18Å; D111-V120 PolarHBondContact O-N 3.39Å; D111-K122 HydrophobicContact CB-CB 4.32Å; D111-K122 HydrophobicContact CB-CD 4.26Å
112	L	93.6	Very high	90.3	Very high	12 Å²	12	53 Å²	53	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	111.4	-175.6	174.4	58.5	0	0	0	109.7	I63 L103 E114 L119 V148	I63-L112 HydrophobicContact CD1-CD1 3.65Å; I63-L112 HydrophobicContact CD1-CD2 4.06Å; L103-L112 HydrophobicContact CD1-CB 3.98Å; L103-L112 HydrophobicContact CG-CB 4.2Å; L103-L112 HydrophobicContact CG-CD2 4.12Å; L112-E114 PolarHBondContact O-N 3.23Å; L112-E114 VanDerWaalsContact O-N 3.09Å; L112-L119 HydrophobicContact CB-CD1 4.45Å; L112-V148 HydrophobicContact CD2-CB 4.4Å; L112-V148 HydrophobicContact CD2-CG1 3.7Å; L112-V148 HydrophobicContact CD2-CG2 3.71Å
113	N	91	Very high	90.4	Very high	69 Å²	69	52.8 Å²	52.8	37%	0.369	28%	0.284	S	S	.	.			trans	-68.6	110.1	173.9	-178.7	-39.3	0	0	0	109.6	T115 T116 S117 E118	N113-T115 PolarHBondContact O-N 2.93Å; N113-T115 PolarHBondContact OD1-N 2.86Å; N113-T115 PolarHBondContact OD1-OG1 3.42Å; N113-T116 VanDerWaalsContact CB-OG1 3.29Å; N113-T116 WeakPolarHBondContact CB-OG1 3.35Å; N113-T116 PolarHBondContact ND2-OG1 3.01Å; N113-T116 PolarHBondContact O-N 2.87Å; N113-T116 PolarHBondContact OD1-N 3.29Å; N113-S117 WeakPolarHBondContact O-CA 3.34Å; N113-S117 PolarHBondContact O-N 2.8Å; N113-E118 HydrophobicContact CB-CB 4.41Å; N113-E118 PolarHBondContact N-O 2.84Å
114	E	88.5	Confident	90.4	Very high	80 Å²	80	57.9 Å²	57.9	37%	0.374	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.1	-174	-56.5	-166.2	162.5	0	0	114.1	L100 Y101 K102 L112	L100-E114 WeakPolarHBondContact CA-O 3.31Å; L100-E114 HydrophobicContact CD2-CB 4.48Å; Y101-E114 PolarHBondContact N-O 2.8Å; Y101-E114 WeakPolarHBondContact O-CA 3.42Å; K102-E114 WeakPolarHBondContact CE-OE1 3.49Å; K102-E114 WeakPolarHBondContact CE-OE2 3.43Å; K102-E114 HydrophobicContact CG-CG 4.36Å; K102-E114 IonicContact NZ-OE1 3.43Å; K102-E114 PolarHBondContact NZ-OE1 3.18Å; K102-E114 IonicContact NZ-OE2 3.64Å; K102-E114 PolarHBondContact NZ-OE2 2.92Å; L112-E114 PolarHBondContact O-N 3.23Å; L112-E114 VanDerWaalsContact O-N 3.09Å
115	T	84.6	Confident	90.7	Very high	90 Å²	90	54.1 Å²	54.1	55%	0.552	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-40.9	-174	66.1	0	0	0	0	113.6	L100 N113	L100-T115 HydrophobicContact CD2-CG2 4.19Å; N113-T115 PolarHBondContact O-N 2.93Å; N113-T115 PolarHBondContact OD1-N 2.86Å; N113-T115 PolarHBondContact OD1-OG1 3.42Å
116	T	87.2	Confident	90.9	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.6	177.7	69.5	0	0	0	0	112.4	Q62 N113 E118	Q62-T116 PolarHBondContact NE2-O 3.36Å; N113-T116 VanDerWaalsContact CB-OG1 3.29Å; N113-T116 WeakPolarHBondContact CB-OG1 3.35Å; N113-T116 PolarHBondContact ND2-OG1 3.01Å; N113-T116 PolarHBondContact O-N 2.87Å; N113-T116 PolarHBondContact OD1-N 3.29Å; T116-E118 PolarHBondContact O-N 2.78Å; T116-E118 WeakPolarHBondContact OG1-CB 3.19Å; T116-E118 PolarHBondContact OG1-N 2.94Å
117	S	90.2	Very high	91.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.			trans	60.3	19.5	-173.1	80.7	0	0	0	0	114.2	I63 N64 Y101 N113	I63-S117 PolarHBondContact N-O 3.12Å; N64-S117 WeakPolarHBondContact CB-OG 3.11Å; N64-S117 PolarHBondContact N-OG 3.41Å; N64-S117 PolarHBondContact ND2-OG 3.17Å; N64-S117 PolarHBondContact OD1-OG 3.45Å; Y101-S117 VanDerWaalsContact CD2-CB 3.46Å; N113-S117 WeakPolarHBondContact O-CA 3.34Å; N113-S117 PolarHBondContact O-N 2.8Å
118	E	93.8	Very high	91.2	Very high	59 Å²	59	46.7 Å²	46.7	28%	0.276	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	123.5	179.7	-176.6	161.8	-153.5	0	0	110.4	K59 N113 T116 V120	K59-E118 HydrophobicContact CG-CG 4.39Å; K59-E118 IonicContact NZ-OE1 3.42Å; K59-E118 PolarHBondContact NZ-OE1 3.07Å; N113-E118 HydrophobicContact CB-CB 4.41Å; N113-E118 PolarHBondContact N-O 2.84Å; T116-E118 PolarHBondContact O-N 2.78Å; T116-E118 WeakPolarHBondContact OG1-CB 3.19Å; T116-E118 PolarHBondContact OG1-N 2.94Å; E118-V120 HydrophobicContact CG-CG1 4.06Å
119	L	93.9	Very high	91.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.9	-179.9	-178.2	73.7	0	0	0	108.5	Y48 I60 G61 I110 L112 I164	Y48-L119 HydrophobicContact CD2-CD2 3.87Å; Y48-L119 HydrophobicContact CE2-CD2 3.78Å; I60-L119 HydrophobicContact CB-CB 4.45Å; I60-L119 HydrophobicContact CB-CD2 3.93Å; I60-L119 HydrophobicContact CB-CG 4.04Å; I60-L119 HydrophobicContact CD1-CD2 4.39Å; I60-L119 HydrophobicContact CD1-CG 4.26Å; I60-L119 HydrophobicContact CG2-CD2 3.72Å; I60-L119 HydrophobicContact CG2-CG 4.39Å; I60-L119 PolarHBondContact N-O 2.64Å; G61-L119 PolarHBondContact N-O 3.34Å; G61-L119 PolarHBondContact O-N 2.75Å; I110-L119 HydrophobicContact CB-CD1 4.18Å; I110-L119 HydrophobicContact CD1-CD1 3.78Å; L112-L119 HydrophobicContact CB-CD1 4.45Å; L119-I164 HydrophobicContact CD2-CD1 4.11Å; L119-I164 HydrophobicContact CD2-CG2 4.06Å
120	V	94.9	Very high	91.1	Very high	20 Å²	20	46.5 Å²	46.5	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159.1	-179.8	-54.6	0	0	0	0	112	Y58 I110 D111 E118	Y58-V120 CarbonylContact O-C 3.49Å; Y58-V120 WeakPolarHBondContact O-CA 3.21Å; Y58-V120 WeakPolarHBondContact O-CB 3.39Å; I110-V120 CarbonylContact C-O 3.53Å; I110-V120 VanDerWaalsContact CA-O 3.28Å; I110-V120 WeakPolarHBondContact CA-O 3.39Å; D111-V120 HydrophobicContact CB-CG2 3.85Å; D111-V120 PolarHBondContact N-O 3.18Å; D111-V120 PolarHBondContact O-N 3.39Å; E118-V120 HydrophobicContact CG-CG1 4.06Å
121	T	93.9	Very high	90.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	141.7	168.3	59.3	0	0	0	0	110.5	I50 P55 H57 Y58 I60 F125	I50-T121 HydrophobicContact CD1-CG2 4.34Å; P55-T121 PolarHBondContact O-OG1 2.83Å; H57-T121 WeakPolarHBondContact CA-O 3.3Å; H57-T121 PolarHBondContact N-O 3.41Å; H57-T121 PolarHBondContact N-OG1 3.42Å; H57-T121 VanDerWaalsContact N-OG1 3.12Å; Y58-T121 HydrophobicContact CD1-CG2 4.37Å; Y58-T121 PolarHBondContact N-OG1 3.38Å; Y58-T121 PolarHBondContact O-N 2.86Å; I60-T121 HydrophobicContact CD1-CG2 3.91Å; I60-T121 HydrophobicContact CG1-CG2 3.95Å; T121-F125 HydrophobicContact CG2-CD2 4.26Å; T121-F125 HydrophobicContact CG2-CE2 4.04Å
122	K	92.7	Very high	90.2	Very high	84 Å²	84	48.7 Å²	48.7	37%	0.365	24%	0.243	S	C	.	.	S	Bend	trans	-114.8	-19.6	174.8	-174.5	174.5	171	-175.1	0	112.4	T107 D109 I110 D111	T107-K122 PolarHBondContact O-NZ 3.37Å; D109-K122 PolarHBondContact O-N 3.27Å; I110-K122 VanDerWaalsContact C-CB 3.49Å; I110-K122 WeakPolarHBondContact O-CD 3.25Å; D111-K122 HydrophobicContact CB-CB 4.32Å; D111-K122 HydrophobicContact CB-CD 4.26Å
123	K	91	Very high	89.7	Confident	66 Å²	66	56.1 Å²	56.1	29%	0.287	28%	0.275	S	S	.	.	S	Bend	trans	-123.6	160	162.1	73.8	-171	-174.4	-170.3	0	110	D109 F125	D109-K123 HydrophobicContact CB-CD 4.38Å; D109-K123 PolarHBondContact O-N 2.78Å; D109-K123 VanDerWaalsContact OD1-CE 3.23Å; D109-K123 WeakPolarHBondContact OD1-CE 3.1Å; D109-K123 IonicContact OD1-NZ 2.67Å; D109-K123 PolarHBondContact OD1-NZ 2.86Å; K123-F125 HydrophobicContact CD-CE1 4.49Å; K123-F125 VanDerWaalsContact CE-CD1 3.44Å; K123-F125 HydrophobicContact CG-CD1 4.43Å; K123-F125 HydrophobicContact CG-CE1 4.4Å
124	R	91.5	Very high	89.4	Confident	146 Å²	146	57.7 Å²	57.7	55%	0.551	28%	0.277	S	S	*	.			trans	-71.7	127.8	159.7	178.7	165.8	160	156.6	-4.6	107.5	N53	N53-R124 PolarHBondContact ND2-NH2 2.8Å; N53-R124 PolarHBondContact O-NE 3.3Å; N53-R124 VanDerWaalsContact OD1-CZ 3.26Å; N53-R124 PolarHBondContact OD1-NE 2.9Å; N53-R124 PolarHBondContact OD1-NH2 2.65Å
125	F	91.4	Very high	89.2	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	27%	0.268	C	S	.	.			trans	-86.6	153.2	173.5	-65.9	-86.4	0	0	0	109.8	I50 N53 D109 I110 T121 K123 L130 L144 L166 I168	I50-F125 HydrophobicContact CD1-CD2 3.78Å; I50-F125 HydrophobicContact CD1-CE2 4.06Å; N53-F125 WeakPolarHBondContact CA-O 3.36Å; N53-F125 PolarHBondContact N-O 2.8Å; N53-F125 PolarHBondContact OD1-O 2.76Å; D109-F125 HydrophobicContact CB-CE1 3.95Å; D109-F125 HydrophobicContact CB-CZ 3.8Å; D109-F125 WeakPolarHBondContact O-CZ 3.19Å; I110-F125 HydrophobicContact CG2-CZ 4.28Å; T121-F125 HydrophobicContact CG2-CD2 4.26Å; T121-F125 HydrophobicContact CG2-CE2 4.04Å; K123-F125 HydrophobicContact CD-CE1 4.49Å; K123-F125 VanDerWaalsContact CE-CD1 3.44Å; K123-F125 HydrophobicContact CG-CD1 4.43Å; K123-F125 HydrophobicContact CG-CE1 4.4Å; F125-L130 HydrophobicContact CB-CD1 4.09Å; F125-L130 HydrophobicContact CD1-CD1 3.85Å; F125-L130 HydrophobicContact CG-CD1 4.47Å; F125-L144 HydrophobicContact CD1-CD1 4.04Å; F125-L144 HydrophobicContact CE1-CD1 3.48Å; F125-L144 VanDerWaalsContact CE1-CD1 3.48Å; F125-L144 HydrophobicContact CZ-CD1 4.24Å; F125-L166 HydrophobicContact CE2-CD2 4.23Å; F125-L166 HydrophobicContact CZ-CD2 4.02Å; F125-I168 HydrophobicContact CB-CD1 3.82Å; F125-I168 HydrophobicContact CB-CG1 4.5Å; F125-I168 HydrophobicContact CB-CG2 4.48Å; F125-I168 HydrophobicContact CD1-CD1 3.35Å; F125-I168 HydrophobicContact CD2-CD1 4.38Å; F125-I168 HydrophobicContact CE1-CD1 3.91Å; F125-I168 HydrophobicContact CG-CD1 3.61Å; F125-I168 HydrophobicContact CG-CG1 4.45Å
126	D	91.1	Very high	88.8	Confident	40 Å²	40	54.5 Å²	54.5	21%	0.214	26%	0.258	C	S	.	.			trans	-153.8	108	-165.3	174.4	-62.6	0	0	0	104.7	K129 L130	D126-K129 PolarHBondContact O-N 3.33Å; D126-K129 VanDerWaalsContact OD1-CB 3.24Å; D126-K129 WeakPolarHBondContact OD1-CB 2.94Å; D126-K129 WeakPolarHBondContact OD1-CD 3.49Å; D126-K129 WeakPolarHBondContact OD1-CE 3.27Å; D126-K129 WeakPolarHBondContact OD1-CG 3.09Å; D126-K129 PolarHBondContact OD1-N 2.65Å; D126-K129 IonicContact OD1-NZ 3.44Å; D126-K129 PolarHBondContact OD1-NZ 3.42Å; D126-K129 WeakPolarHBondContact OD2-CE 3.44Å; D126-K129 IonicContact OD2-NZ 3.96Å; D126-K129 PolarHBondContact OD2-NZ 2.73Å; D126-L130 VanDerWaalsContact O-CD1 3.25Å; D126-L130 WeakPolarHBondContact O-CD1 3.5Å; D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 3.25Å
127	L	91.2	Very high	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-75.1	-37.5	-159.9	-173	55.5	0	0	0	110.9	E52 K129 L130 C131 A142 I168 D170 I211	E52-L127 HydrophobicContact CB-CB 4.28Å; E52-L127 WeakPolarHBondContact OE1-CB 3.47Å; E52-L127 WeakPolarHBondContact OE2-CB 3.38Å; E52-L127 PolarHBondContact OE2-N 2.84Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.41Å; L127-L130 CarbonylContact O-C 3.54Å; L127-L130 PolarHBondContact O-N 3.22Å; L127-C131 VanDerWaalsContact O-CB 3.27Å; L127-C131 WeakPolarHBondContact O-CB 3.09Å; L127-C131 PolarHBondContact O-N 3.38Å; L127-A142 HydrophobicContact CD1-CB 3.4Å; L127-I168 HydrophobicContact CD1-CB 4.44Å; L127-I168 HydrophobicContact CD1-CG2 4.19Å; L127-D170 HydrophobicContact CD2-CB 3.96Å; L127-D170 WeakPolarHBondContact CD2-OD1 3.27Å; L127-I211 HydrophobicContact CB-CD1 4.28Å; L127-I211 HydrophobicContact CD2-CD1 4.29Å; L127-I211 HydrophobicContact CG-CD1 3.7Å
128	E	89.1	Confident	86.6	Confident	32 Å²	32	63.3 Å²	63.3	15%	0.15	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-39.5	176.1	-66.8	68.3	-96.3	0	0	111.7	P132 N174 Y209 I211	E128-P132 WeakPolarHBondContact O-CD 3.44Å; E128-N174 PolarHBondContact OE2-ND2 2.82Å; E128-Y209 WeakPolarHBondContact CG-O 3.49Å; E128-I211 HydrophobicContact CG-CD1 4.47Å
129	K	88.5	Confident	85.8	Confident	136 Å²	136	62.9 Å²	62.9	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-81	-19.1	178.5	-67.3	167.6	-156.9	70	0	112.9	D126 L127	D126-K129 PolarHBondContact O-N 3.33Å; D126-K129 VanDerWaalsContact OD1-CB 3.24Å; D126-K129 WeakPolarHBondContact OD1-CB 2.94Å; D126-K129 WeakPolarHBondContact OD1-CD 3.49Å; D126-K129 WeakPolarHBondContact OD1-CE 3.27Å; D126-K129 WeakPolarHBondContact OD1-CG 3.09Å; D126-K129 PolarHBondContact OD1-N 2.65Å; D126-K129 IonicContact OD1-NZ 3.44Å; D126-K129 PolarHBondContact OD1-NZ 3.42Å; D126-K129 WeakPolarHBondContact OD2-CE 3.44Å; D126-K129 IonicContact OD2-NZ 3.96Å; D126-K129 PolarHBondContact OD2-NZ 2.73Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.41Å
130	L	88.2	Confident	85.3	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.068	33%	0.326	C	S	.	.	H	α-helix	trans	-90.9	-36.4	177.5	-68.6	164.6	0	0	0	112.6	F125 D126 L127 P132 F133 Y134 A142 I168	F125-L130 HydrophobicContact CB-CD1 4.09Å; F125-L130 HydrophobicContact CD1-CD1 3.85Å; F125-L130 HydrophobicContact CG-CD1 4.47Å; D126-L130 VanDerWaalsContact O-CD1 3.25Å; D126-L130 WeakPolarHBondContact O-CD1 3.5Å; D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 3.25Å; L127-L130 CarbonylContact O-C 3.54Å; L127-L130 PolarHBondContact O-N 3.22Å; L130-P132 VanDerWaalsContact C-CD 3.48Å; L130-F133 PolarHBondContact O-N 3.06Å; L130-Y134 HydrophobicContact CB-CD2 4.05Å; L130-Y134 HydrophobicContact CD2-CD2 3.71Å; L130-Y134 HydrophobicContact CD2-CE2 3.83Å; L130-Y134 WeakPolarHBondContact O-CD2 3.2Å; L130-Y134 PolarHBondContact O-N 2.88Å; L130-A142 HydrophobicContact CB-CB 4.26Å; L130-I168 HydrophobicContact CD1-CD1 3.71Å
131	C	85.3	Confident	84.9	Confident	24 Å²	24	68.5 Å²	68.5	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-37.4	-169.1	-162	0	0	0	0	114.5	L127 F133 Y134 C135 I211	L127-C131 VanDerWaalsContact O-CB 3.27Å; L127-C131 WeakPolarHBondContact O-CB 3.09Å; L127-C131 PolarHBondContact O-N 3.38Å; C131-F133 PolarHBondContact O-N 3.31Å; C131-Y134 PolarHBondContact O-N 2.8Å; C131-C135 WeakPolarHBondContact CA-SG 3.42Å; C131-C135 HydrophobicContact CB-CB 4.01Å; C131-C135 WeakPolarHBondContact CB-SG 3.27Å; C131-C135 WeakPolarHBondContact O-CB 3.46Å; C131-C135 PolarHBondContact O-N 3.4Å; C131-C135 VanDerWaalsContact O-N 3.1Å; C131-C135 WeakPolarHBondContact SG-CB 3.2Å; C131-C135 CovalentContact SG-SG 2.03Å; C131-C135 PolarHBondContact SG-SG 3.14Å; C131-I211 HydrophobicContact CB-CD1 3.38Å; C131-I211 HydrophobicContact CB-CG1 4.34Å; C131-I211 VanDerWaalsContact SG-CD1 3.56Å
132	P	82	Confident	84.6	Confident	100 Å²	100	68.5 Å²	68.5	65%	0.649	33%	0.333	S	S	*	.	H	α-helix	trans	-57.6	-15.2	172	-27.2	36.3	0	0	0	115.5	E128 L130	E128-P132 WeakPolarHBondContact O-CD 3.44Å; L130-P132 VanDerWaalsContact C-CD 3.48Å
133	F	82.9	Confident	84.4	Confident	168 Å²	168	66.1 Å²	66.1	74%	0.737	32%	0.323	S	S	*	.	H	α-helix	trans	-120.9	-27.2	-178.5	-53	-77.6	0	0	0	113.9	L130 C131	L130-F133 PolarHBondContact O-N 3.06Å; C131-F133 PolarHBondContact O-N 3.31Å
134	Y	84.8	Confident	84.4	Confident	103 Å²	103	63.3 Å²	63.3	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-127.2	-5.7	-167.8	-60	-71.7	0	0	0	115.5	L130 C131 E143 L144	L130-Y134 HydrophobicContact CB-CD2 4.05Å; L130-Y134 HydrophobicContact CD2-CD2 3.71Å; L130-Y134 HydrophobicContact CD2-CE2 3.83Å; L130-Y134 WeakPolarHBondContact O-CD2 3.2Å; L130-Y134 PolarHBondContact O-N 2.88Å; C131-Y134 PolarHBondContact O-N 2.8Å; Y134-E143 PolarHBondContact O-N 2.81Å; Y134-L144 HydrophobicContact CD1-CD2 3.63Å; Y134-L144 HydrophobicContact CD2-CD2 4.23Å; Y134-L144 HydrophobicContact CE1-CD2 3.7Å; Y134-L144 HydrophobicContact CE2-CD2 4.31Å; Y134-L144 HydrophobicContact CG-CD2 3.91Å
135	C	84.1	Confident	84.4	Confident	30 Å²	30	60.8 Å²	60.8	20%	0.203	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-82.9	129.4	168.3	-73.8	0	0	0	0	110.3	C131	C131-C135 WeakPolarHBondContact CA-SG 3.42Å; C131-C135 HydrophobicContact CB-CB 4.01Å; C131-C135 WeakPolarHBondContact CB-SG 3.27Å; C131-C135 WeakPolarHBondContact O-CB 3.46Å; C131-C135 PolarHBondContact O-N 3.4Å; C131-C135 VanDerWaalsContact O-N 3.1Å; C131-C135 WeakPolarHBondContact SG-CB 3.2Å; C131-C135 CovalentContact SG-SG 2.03Å; C131-C135 PolarHBondContact SG-SG 3.14Å
136	H	76.2	Confident	84.4	Confident	73 Å²	73	61.3 Å²	61.3	34%	0.338	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-75.9	149.9	164.3	-69.7	118.2	0	0	0	110.3	N138 N139 E143	H136-N138 PolarHBondContact O-N 3.24Å; H136-N138 VanDerWaalsContact O-N 3.17Å; H136-N139 HydrophobicContact CB-CB 4.42Å; H136-N139 WeakPolarHBondContact O-CB 3.44Å; H136-N139 PolarHBondContact O-N 3.46Å; H136-E143 IonicContact CE1-OE2 2.81Å; H136-E143 PolarHBondContact CE1-OE2 3.15Å; H136-E143 IonicContact ND1-OE2 3.45Å; H136-E143 PolarHBondContact ND1-OE2 2.75Å
137	S	65.3	Low	84.4	Confident	85 Å²	85	62.5 Å²	62.5	59%	0.594	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	121.5	177.8	52.9	0	0	0	0	111.2
138	N	67.4	Low	84.4	Confident	148 Å²	148	62.5 Å²	62.5	79%	0.791	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.3	-174.1	-49.6	-7.1	0	0	0	116.6	H136	H136-N138 PolarHBondContact O-N 3.24Å; H136-N138 VanDerWaalsContact O-N 3.17Å
139	N	76.1	Confident	84.4	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.262	32%	0.316	S	S	.	.			trans	-100.1	125.6	171.2	-70.8	3.7	0	0	0	110.8	H136 F141	H136-N139 HydrophobicContact CB-CB 4.42Å; H136-N139 WeakPolarHBondContact O-CB 3.44Å; H136-N139 PolarHBondContact O-N 3.46Å; N139-F141 HydrophobicContact CB-CD1 4Å; N139-F141 HydrophobicContact CB-CD2 4.44Å; N139-F141 HydrophobicContact CB-CE1 3.71Å; N139-F141 HydrophobicContact CB-CE2 4.2Å; N139-F141 HydrophobicContact CB-CG 4.36Å; N139-F141 HydrophobicContact CB-CZ 3.82Å; N139-F141 VanDerWaalsContact CG-CZ 3.46Å; N139-F141 WeakPolarHBondContact ND2-CE2 3.48Å; N139-F141 WeakPolarHBondContact ND2-CZ 3.31Å; N139-F141 PolarHBondContact O-N 3.13Å
140	F	83.7	Confident	84.3	Confident	81 Å²	81	57.7 Å²	57.7	36%	0.355	29%	0.287	S	S	.	.	S	Bend	trans	-91.9	44.9	175.4	-42.7	-59.1	0	0	0	111.4	I211 H212 P213	F140-I211 HydrophobicContact CB-CG2 4.31Å; F140-I211 HydrophobicContact CD1-CG2 4.16Å; F140-I211 WeakPolarHBondContact CD1-O 3.36Å; F140-H212 HydrophobicContact CB-CB 4.16Å; F140-H212 AromaticContact CD2-CD2 3.84Å; F140-P213 HydrophobicContact CD1-CG 4.1Å; F140-P213 HydrophobicContact CD2-CG 4.28Å; F140-P213 HydrophobicContact CE1-CG 3.54Å; F140-P213 HydrophobicContact CE2-CG 3.75Å; F140-P213 HydrophobicContact CG-CG 4.45Å; F140-P213 HydrophobicContact CZ-CG 3.35Å
141	F	87	Confident	84.2	Confident	59 Å²	59	58.6 Å²	58.6	26%	0.259	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	147	-177.1	57.3	-91.2	0	0	0	109.7	N139 E143 L167 I168 I169	N139-F141 HydrophobicContact CB-CD1 4Å; N139-F141 HydrophobicContact CB-CD2 4.44Å; N139-F141 HydrophobicContact CB-CE1 3.71Å; N139-F141 HydrophobicContact CB-CE2 4.2Å; N139-F141 HydrophobicContact CB-CG 4.36Å; N139-F141 HydrophobicContact CB-CZ 3.82Å; N139-F141 VanDerWaalsContact CG-CZ 3.46Å; N139-F141 WeakPolarHBondContact ND2-CE2 3.48Å; N139-F141 WeakPolarHBondContact ND2-CZ 3.31Å; N139-F141 PolarHBondContact O-N 3.13Å; F141-E143 HydrophobicContact CD2-CG 3.88Å; F141-E143 HydrophobicContact CE2-CG 3.71Å; F141-L167 HydrophobicContact CD2-CD2 4.06Å; F141-L167 HydrophobicContact CE2-CD2 4.05Å; F141-I168 WeakPolarHBondContact CA-O 3.26Å; F141-I168 WeakPolarHBondContact CB-O 3.26Å; F141-I169 HydrophobicContact CB-CG2 4.17Å
142	A	87.6	Confident	83.8	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.9	175.6	0	0	0	0	0	111	L127 L130 I168	L127-A142 HydrophobicContact CD1-CB 3.4Å; L130-A142 HydrophobicContact CB-CB 4.26Å; A142-I168 HydrophobicContact CB-CB 4.41Å; A142-I168 PolarHBondContact N-O 3.21Å; A142-I168 VanDerWaalsContact N-O 3.08Å; A142-I168 PolarHBondContact O-N 3.28Å
143	E	88.2	Confident	83.7	Confident	34 Å²	34	58.3 Å²	58.3	16%	0.159	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.2	177.1	-58.2	-163.7	86.8	0	0	111.3	Y134 H136 F141 F145 Q165 L167	Y134-E143 PolarHBondContact O-N 2.81Å; H136-E143 IonicContact CE1-OE2 2.81Å; H136-E143 PolarHBondContact CE1-OE2 3.15Å; H136-E143 IonicContact ND1-OE2 3.45Å; H136-E143 PolarHBondContact ND1-OE2 2.75Å; F141-E143 HydrophobicContact CD2-CG 3.88Å; F141-E143 HydrophobicContact CE2-CG 3.71Å; E143-F145 HydrophobicContact CB-CE2 3.9Å; E143-F145 HydrophobicContact CB-CZ 4.41Å; E143-Q165 PolarHBondContact OE1-NE2 2.65Å; E143-L167 HydrophobicContact CB-CD2 4.45Å; E143-L167 HydrophobicContact CG-CD2 3.77Å
144	L	90.5	Very high	83.1	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137	178.1	-65.6	166.9	0	0	0	110.5	F125 Y134 Y146 Q165 L166 I168	F125-L144 HydrophobicContact CD1-CD1 4.04Å; F125-L144 HydrophobicContact CE1-CD1 3.48Å; F125-L144 VanDerWaalsContact CE1-CD1 3.48Å; F125-L144 HydrophobicContact CZ-CD1 4.24Å; Y134-L144 HydrophobicContact CD1-CD2 3.63Å; Y134-L144 HydrophobicContact CD2-CD2 4.23Å; Y134-L144 HydrophobicContact CE1-CD2 3.7Å; Y134-L144 HydrophobicContact CE2-CD2 4.31Å; Y134-L144 HydrophobicContact CG-CD2 3.91Å; L144-Y146 HydrophobicContact CB-CE2 3.78Å; L144-Q165 WeakPolarHBondContact O-CA 3.26Å; L144-L166 HydrophobicContact CB-CB 4.28Å; L144-L166 HydrophobicContact CD1-CD2 4.48Å; L144-L166 PolarHBondContact N-O 2.96Å; L144-L166 PolarHBondContact O-N 2.86Å; L144-I168 HydrophobicContact CD1-CD1 3.41Å; L144-I168 VanDerWaalsContact CD1-CD1 3.41Å; L144-I168 HydrophobicContact CD1-CG1 4.46Å; L144-I168 HydrophobicContact CG-CD1 4.42Å
145	F	90.9	Very high	82	Confident	92 Å²	92	53.8 Å²	53.8	40%	0.404	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.7	-177.6	-65.5	-88.9	0	0	0	110.9	E143 T163 I164 Q165	E143-F145 HydrophobicContact CB-CE2 3.9Å; E143-F145 HydrophobicContact CB-CZ 4.41Å; F145-T163 HydrophobicContact CD1-CG2 4.07Å; F145-I164 WeakPolarHBondContact CA-O 3.13Å; F145-Q165 HydrophobicContact CD1-CB 4.14Å; F145-Q165 HydrophobicContact CD1-CG 4.27Å; F145-Q165 HydrophobicContact CE1-CB 3.85Å; F145-Q165 HydrophobicContact CE1-CG 3.61Å; F145-Q165 HydrophobicContact CZ-CG 3.92Å
146	Y	92.4	Very high	81.1	Confident	14 Å²	14	60.5 Å²	60.5	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.1	179.4	-56.2	-71	0	0	0	110.6	T107 D109 I110 L144 T163 I164 L166	T107-Y146 HydrophobicContact CG2-CD1 3.84Å; T107-Y146 HydrophobicContact CG2-CE1 3.85Å; D109-Y146 HydrophobicContact CB-CE1 4.34Å; D109-Y146 WeakPolarHBondContact CB-OH 3.46Å; D109-Y146 VanDerWaalsContact CG-OH 3.29Å; D109-Y146 PolarHBondContact OD2-OH 2.91Å; I110-Y146 HydrophobicContact CD1-CD1 3.8Å; I110-Y146 HydrophobicContact CD1-CD2 3.57Å; I110-Y146 HydrophobicContact CD1-CE1 4.24Å; I110-Y146 HydrophobicContact CD1-CE2 4.02Å; I110-Y146 HydrophobicContact CD1-CG 3.43Å; I110-Y146 VanDerWaalsContact CD1-CG 3.43Å; I110-Y146 HydrophobicContact CG1-CD1 4.22Å; I110-Y146 HydrophobicContact CG1-CD2 4.3Å; I110-Y146 HydrophobicContact CG1-CE1 4.19Å; I110-Y146 HydrophobicContact CG1-CE2 4.26Å; I110-Y146 HydrophobicContact CG1-CG 4.27Å; I110-Y146 HydrophobicContact CG2-CE2 4.11Å; L144-Y146 HydrophobicContact CB-CE2 3.78Å; Y146-T163 CarbonylContact O-C 3.57Å; Y146-I164 PolarHBondContact N-O 3.21Å; Y146-I164 PolarHBondContact O-N 3.15Å; Y146-L166 HydrophobicContact CE2-CB 4.37Å; Y146-L166 HydrophobicContact CE2-CD2 4.17Å
147	H	91.5	Very high	80.8	Confident	64 Å²	64	60.3 Å²	60.3	30%	0.296	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.8	-179.6	-56.1	-66	0	0	0	111.3	Q104 L161 I162 T163	Q104-H147 HydrophobicContact CB-CB 3.88Å; Q104-H147 WeakPolarHBondContact CB-O 3.38Å; Q104-H147 HydrophobicContact CG-CB 4.48Å; Q104-H147 PolarHBondContact N-O 2.88Å; Q104-H147 VanDerWaalsContact OE1-CB 3.25Å; H147-L161 HydrophobicContact CB-CD1 4.3Å; H147-I162 CarbonylContact C-O 3.57Å; H147-I162 WeakPolarHBondContact CA-O 3.08Å; H147-T163 PolarHBondContact CE1-OG1 2.8Å; H147-T163 VanDerWaalsContact CE1-OG1 3.31Å; H147-T163 PolarHBondContact ND1-OG1 3.24Å
148	V	90.6	Very high	81.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.5	-176.7	174.8	0	0	0	0	110.5	I63 K102 L103 L112 I162 I164	I63-V148 HydrophobicContact CD1-CG1 4.3Å; I63-V148 HydrophobicContact CD1-CG2 4.34Å; K102-V148 CarbonylContact O-C 3.59Å; K102-V148 VanDerWaalsContact O-CA 3.28Å; K102-V148 WeakPolarHBondContact O-CA 3.33Å; L103-V148 HydrophobicContact CD2-CG2 3.78Å; L103-V148 HydrophobicContact CG-CG2 4.3Å; L112-V148 HydrophobicContact CD2-CB 4.4Å; L112-V148 HydrophobicContact CD2-CG1 3.7Å; L112-V148 HydrophobicContact CD2-CG2 3.71Å; V148-I162 HydrophobicContact CB-CB 4.41Å; V148-I162 PolarHBondContact N-O 3.35Å; V148-I162 PolarHBondContact O-N 2.91Å; V148-I164 HydrophobicContact CG2-CD1 3.71Å; V148-I164 HydrophobicContact CG2-CG1 4.46Å
149	Y	88.8	Confident	81.8	Confident	67 Å²	67	53 Å²	53	26%	0.263	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.1	169.5	-59.1	-55.7	0	0	0	110.9	Y101 K102 Q104 I158 L161	Y101-Y149 WeakPolarHBondContact CA-O 3.38Å; K102-Y149 PolarHBondContact N-O 3.27Å; K102-Y149 PolarHBondContact O-N 3.11Å; Q104-Y149 HydrophobicContact CB-CD2 4.16Å; Q104-Y149 HydrophobicContact CB-CE2 3.62Å; Q104-Y149 HydrophobicContact CG-CE2 3.68Å; Q104-Y149 WeakPolarHBondContact CG-OH 3.2Å; Q104-Y149 PolarHBondContact OE1-OH 3.49Å; Y149-I158 HydrophobicContact CD1-CD1 3.71Å; Y149-I158 HydrophobicContact CD1-CG1 4.37Å; Y149-I158 HydrophobicContact CD1-CG2 3.95Å; Y149-I158 HydrophobicContact CE1-CD1 3.87Å; Y149-I158 HydrophobicContact CG-CD1 4.05Å; Y149-I158 HydrophobicContact CG-CG1 4.46Å; Y149-I158 HydrophobicContact CG-CG2 4.46Å; Y149-L161 HydrophobicContact CD1-CD1 3.71Å; Y149-L161 HydrophobicContact CE1-CD1 3.76Å
150	I	86.8	Confident	82.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.8	164.7	-38.1	-179.7	0	0	0	108.8	L67 L80 L99 L100 Y101 I158 I159 S160 I162	L67-I150 HydrophobicContact CD2-CD1 3.6Å; L80-I150 HydrophobicContact CD1-CD1 3.86Å; L80-I150 HydrophobicContact CD1-CG2 4.27Å; L80-I150 HydrophobicContact CD2-CD1 3.82Å; L80-I150 HydrophobicContact CG-CD1 4.48Å; L99-I150 HydrophobicContact CB-CG2 4.18Å; L99-I150 HydrophobicContact CD2-CG2 3.94Å; L99-I150 HydrophobicContact CG-CG2 4.48Å; L100-I150 CarbonylContact O-C 3.55Å; L100-I150 WeakPolarHBondContact O-CA 3.42Å; Y101-I150 HydrophobicContact CD1-CD1 4.49Å; Y101-I150 HydrophobicContact CD1-CG1 4.14Å; Y101-I150 HydrophobicContact CD1-CG2 4.28Å; Y101-I150 HydrophobicContact CE1-CD1 4.02Å; Y101-I150 HydrophobicContact CE1-CG1 4.14Å; Y101-I150 HydrophobicContact CE1-CG2 4.03Å; I150-I158 CarbonylContact O-C 3.56Å; I150-I158 WeakPolarHBondContact O-CA 3.42Å; I150-I159 HydrophobicContact CG2-CD1 4.27Å; I150-I159 PolarHBondContact O-N 2.78Å; I150-S160 PolarHBondContact N-O 3.02Å; I150-I162 HydrophobicContact CD1-CD1 3.85Å; I150-I162 HydrophobicContact CD1-CG1 4.23Å; I150-I162 HydrophobicContact CG1-CD1 4.02Å; I150-I162 HydrophobicContact CG1-CG1 4.3Å
151	Q	85.5	Confident	82.3	Confident	32 Å²	32	48.9 Å²	48.9	15%	0.15	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	166.7	178.9	-73.3	175.2	-26.9	0	0	111.2	L99 L100 Q156 I158	L99-Q151 WeakPolarHBondContact CA-O 3.48Å; L100-Q151 PolarHBondContact N-O 2.8Å; L100-Q151 PolarHBondContact O-N 3.36Å; Q151-Q156 PolarHBondContact NE2-O 3.34Å; Q151-I158 HydrophobicContact CG-CG1 4.2Å
152	L	78.6	Confident	82.3	Confident	19 Å²	19	46.1 Å²	46.1	10%	0.099	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.2	167.9	-66.8	172.3	0	0	0	109.8	Y83 L97 L99 N154 N155 I159	Y83-L152 HydrophobicContact CD1-CD2 4.14Å; Y83-L152 HydrophobicContact CD2-CD2 4.38Å; Y83-L152 HydrophobicContact CE1-CD2 3.87Å; Y83-L152 HydrophobicContact CE2-CD2 4.11Å; Y83-L152 HydrophobicContact CG-CD2 4.4Å; L97-L152 HydrophobicContact CD2-CB 4.43Å; L97-L152 HydrophobicContact CD2-CD1 3.78Å; L97-L152 HydrophobicContact CD2-CD2 3.9Å; L97-L152 HydrophobicContact CD2-CG 4.25Å; L99-L152 HydrophobicContact CD2-CD2 4.17Å; L152-N154 PolarHBondContact O-N 3.38Å; L152-N154 VanDerWaalsContact O-N 3.11Å; L152-N155 HydrophobicContact CB-CB 3.97Å; L152-N155 HydrophobicContact CD1-CB 4.3Å; L152-N155 PolarHBondContact N-O 3.09Å; L152-N155 CarbonylContact O-C 3.27Å; L152-N155 VanDerWaalsContact O-C 3.27Å; L152-N155 PolarHBondContact O-N 2.83Å; L152-I159 HydrophobicContact CD2-CD1 3.56Å; L152-I159 HydrophobicContact CD2-CG1 4.5Å; L152-I159 HydrophobicContact CG-CD1 3.62Å; L152-I159 HydrophobicContact CG-CG1 4.06Å
153	N	78	Confident	82.6	Confident	100 Å²	100	46.3 Å²	46.3	54%	0.535	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.5	178.2	-170	27.9	0	0	0	113.3	L98 L100	L98-N153 HydrophobicContact CB-CB 4.09Å; L98-N153 PolarHBondContact O-N 3.43Å; L100-N153 HydrophobicContact CD1-CB 4.19Å; L100-N153 HydrophobicContact CG-CB 4.26Å
154	N	70.7	Confident	82.8	Confident	83 Å²	83	44.7 Å²	44.7	44%	0.444	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	3.7	176.4	69.4	-5.4	0	0	0	114.2	L97 L152	L97-N154 WeakPolarHBondContact CD2-ND2 3.4Å; L97-N154 VanDerWaalsContact CD2-OD1 3.26Å; L97-N154 WeakPolarHBondContact CD2-OD1 3.41Å; L152-N154 PolarHBondContact O-N 3.38Å; L152-N154 VanDerWaalsContact O-N 3.11Å
155	N	63	Low	82.9	Confident	92 Å²	92	45.6 Å²	45.6	49%	0.492	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	109.6	-173.9	-123.8	-35.5	0	0	0	110.8	L152 S157	L152-N155 HydrophobicContact CB-CB 3.97Å; L152-N155 HydrophobicContact CD1-CB 4.3Å; L152-N155 PolarHBondContact N-O 3.09Å; L152-N155 CarbonylContact O-C 3.27Å; L152-N155 VanDerWaalsContact O-C 3.27Å; L152-N155 PolarHBondContact O-N 2.83Å; N155-S157 PolarHBondContact O-N 2.82Å
156	Q	63.6	Low	83	Confident	171 Å²	171	41.2 Å²	41.2	80%	0.799	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	0.3	-178.8	-65.8	-177.9	-12.2	0	0	114.3	Q151 I158	Q151-Q156 PolarHBondContact NE2-O 3.34Å; Q156-I158 PolarHBondContact O-N 3.49Å
157	S	70.6	Confident	83	Confident	69 Å²	69	42.2 Å²	42.2	48%	0.483	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.3	173.3	35.6	0	0	0	0	111.1	N155 I159	N155-S157 PolarHBondContact O-N 2.82Å; S157-I159 PolarHBondContact O-N 3.38Å
158	I	76.4	Confident	83	Confident	54 Å²	54	39.2 Å²	39.2	28%	0.277	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.2	-178.1	-58	169.5	0	0	0	108.6	I41 Y149 I150 Q151 Q156 S160	I41-I158 HydrophobicContact CD1-CB 4.12Å; I41-I158 HydrophobicContact CD1-CG2 4.27Å; I41-I158 HydrophobicContact CG2-CG2 4.04Å; Y149-I158 HydrophobicContact CD1-CD1 3.71Å; Y149-I158 HydrophobicContact CD1-CG1 4.37Å; Y149-I158 HydrophobicContact CD1-CG2 3.95Å; Y149-I158 HydrophobicContact CE1-CD1 3.87Å; Y149-I158 HydrophobicContact CG-CD1 4.05Å; Y149-I158 HydrophobicContact CG-CG1 4.46Å; Y149-I158 HydrophobicContact CG-CG2 4.46Å; I150-I158 CarbonylContact O-C 3.56Å; I150-I158 WeakPolarHBondContact O-CA 3.42Å; Q151-I158 HydrophobicContact CG-CG1 4.2Å; Q156-I158 PolarHBondContact O-N 3.49Å; I158-S160 VanDerWaalsContact CG2-O 3.31Å; I158-S160 WeakPolarHBondContact CG2-O 3.4Å
159	I	78.1	Confident	83	Confident	26 Å²	26	42.6 Å²	42.6	13%	0.133	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-33	178.6	-40.6	167.9	0	0	0	110.6	P42 L80 L99 I150 L152 S157	P42-I159 WeakPolarHBondContact CD-O 3.31Å; P42-I159 VanDerWaalsContact CG-O 3.25Å; P42-I159 WeakPolarHBondContact CG-O 3.48Å; L80-I159 HydrophobicContact CB-CG2 4.27Å; L80-I159 HydrophobicContact CD1-CB 4.46Å; L80-I159 HydrophobicContact CD1-CG2 4Å; L99-I159 HydrophobicContact CD2-CD1 3.26Å; I150-I159 HydrophobicContact CG2-CD1 4.27Å; I150-I159 PolarHBondContact O-N 2.78Å; L152-I159 HydrophobicContact CD2-CD1 3.56Å; L152-I159 HydrophobicContact CD2-CG1 4.5Å; L152-I159 HydrophobicContact CG-CD1 3.62Å; L152-I159 HydrophobicContact CG-CG1 4.06Å; S157-I159 PolarHBondContact O-N 3.38Å
160	S	82.7	Confident	83	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	154.5	-173.2	-173.4	0	0	0	0	111.3	I41 P42 Y44 I150 I158	I41-S160 VanDerWaalsContact CG2-CA 3.47Å; P42-S160 VanDerWaalsContact O-CA 3.3Å; P42-S160 WeakPolarHBondContact O-CA 3.23Å; P42-S160 WeakPolarHBondContact O-CB 3.35Å; P42-S160 PolarHBondContact O-OG 2.99Å; Y44-S160 VanDerWaalsContact CD2-OG 3.32Å; Y44-S160 WeakPolarHBondContact CD2-OG 3.31Å; Y44-S160 WeakPolarHBondContact CE2-OG 3.43Å; I150-S160 PolarHBondContact N-O 3.02Å; I158-S160 VanDerWaalsContact CG2-O 3.31Å; I158-S160 WeakPolarHBondContact CG2-O 3.4Å
161	L	86.2	Confident	83.1	Confident	44 Å²	44	42.5 Å²	42.5	23%	0.23	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.9	170.9	177.1	61.2	0	0	0	109.2	P42 Y43 Y44 H147 Y149	P42-L161 PolarHBondContact O-N 2.89Å; Y43-L161 CarbonylContact C-O 3.55Å; Y43-L161 VanDerWaalsContact CA-O 3.32Å; Y43-L161 WeakPolarHBondContact CA-O 3.46Å; Y43-L161 HydrophobicContact CD2-CB 4.28Å; Y43-L161 HydrophobicContact CD2-CD2 4Å; Y43-L161 HydrophobicContact CD2-CG 3.98Å; Y43-L161 HydrophobicContact CE2-CD2 4.33Å; Y43-L161 HydrophobicContact CE2-CG 4.34Å; Y44-L161 PolarHBondContact N-O 3.41Å; H147-L161 HydrophobicContact CB-CD1 4.3Å; Y149-L161 HydrophobicContact CD1-CD1 3.71Å; Y149-L161 HydrophobicContact CE1-CD1 3.76Å
162	I	88.7	Confident	83.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.3	175.8	-47.2	171.9	0	0	0	108.7	Y44 L46 I63 L67 H147 V148 I150 I164	Y44-I162 CarbonylContact O-C 3.57Å; Y44-I162 VanDerWaalsContact O-CA 3.3Å; Y44-I162 WeakPolarHBondContact O-CA 3.39Å; L46-I162 HydrophobicContact CB-CG2 4.43Å; L46-I162 HydrophobicContact CD1-CG2 4.06Å; L46-I162 HydrophobicContact CG-CG2 3.96Å; I63-I162 HydrophobicContact CG2-CD1 3.28Å; L67-I162 HydrophobicContact CD1-CD1 4.45Å; L67-I162 HydrophobicContact CD2-CD1 3.78Å; L67-I162 HydrophobicContact CD2-CG1 4.39Å; H147-I162 CarbonylContact C-O 3.57Å; H147-I162 WeakPolarHBondContact CA-O 3.08Å; V148-I162 HydrophobicContact CB-CB 4.41Å; V148-I162 PolarHBondContact N-O 3.35Å; V148-I162 PolarHBondContact O-N 2.91Å; I150-I162 HydrophobicContact CD1-CD1 3.85Å; I150-I162 HydrophobicContact CD1-CG1 4.23Å; I150-I162 HydrophobicContact CG1-CD1 4.02Å; I150-I162 HydrophobicContact CG1-CG1 4.3Å; I162-I164 HydrophobicContact CG2-CG1 4.27Å
163	T	92	Very high	83.4	Confident	4 Å²	4	46 Å²	46	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131	161.4	-60.1	0	0	0	0	109.6	Y43 Y44 Q45 L46 F145 Y146 H147	Y43-T163 VanDerWaalsContact CE2-OG1 3.23Å; Y43-T163 WeakPolarHBondContact CE2-OG1 3.05Å; Y43-T163 VanDerWaalsContact OH-CB 3.23Å; Y43-T163 WeakPolarHBondContact OH-CB 3.43Å; Y43-T163 PolarHBondContact OH-OG1 3.39Å; Y44-T163 PolarHBondContact O-N 3.26Å; Q45-T163 CarbonylContact C-O 3.53Å; Q45-T163 WeakPolarHBondContact CA-O 3.43Å; L46-T163 PolarHBondContact N-O 3.39Å; F145-T163 HydrophobicContact CD1-CG2 4.07Å; Y146-T163 CarbonylContact O-C 3.57Å; H147-T163 PolarHBondContact CE1-OG1 2.8Å; H147-T163 VanDerWaalsContact CE1-OG1 3.31Å; H147-T163 PolarHBondContact ND1-OG1 3.24Å
164	I	93	Very high	83.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114	176.2	-57.1	178.7	0	0	0	107	L46 Y48 I63 L119 F145 Y146 V148 I162	L46-I164 WeakPolarHBondContact O-CA 3.45Å; Y48-I164 HydrophobicContact CD2-CG2 3.56Å; Y48-I164 HydrophobicContact CE2-CG2 3.8Å; I63-I164 HydrophobicContact CD1-CD1 3.64Å; I63-I164 HydrophobicContact CG1-CD1 4.24Å; L119-I164 HydrophobicContact CD2-CD1 4.11Å; L119-I164 HydrophobicContact CD2-CG2 4.06Å; F145-I164 WeakPolarHBondContact CA-O 3.13Å; Y146-I164 PolarHBondContact N-O 3.21Å; Y146-I164 PolarHBondContact O-N 3.15Å; V148-I164 HydrophobicContact CG2-CD1 3.71Å; V148-I164 HydrophobicContact CG2-CG1 4.46Å; I162-I164 HydrophobicContact CG2-CG1 4.27Å
165	Q	93.4	Very high	84.5	Confident	26 Å²	26	42.6 Å²	42.6	12%	0.121	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.1	168.5	-177.1	177.8	8.7	0	0	107.3	L46 N47 Y48 E143 L144 F145 L167	L46-Q165 PolarHBondContact O-N 2.73Å; N47-Q165 WeakPolarHBondContact CA-O 3.36Å; N47-Q165 PolarHBondContact ND2-OE1 3.42Å; Y48-Q165 PolarHBondContact N-O 3.01Å; E143-Q165 PolarHBondContact OE1-NE2 2.65Å; L144-Q165 WeakPolarHBondContact O-CA 3.26Å; F145-Q165 HydrophobicContact CD1-CB 4.14Å; F145-Q165 HydrophobicContact CD1-CG 4.27Å; F145-Q165 HydrophobicContact CE1-CB 3.85Å; F145-Q165 HydrophobicContact CE1-CG 3.61Å; F145-Q165 HydrophobicContact CZ-CG 3.92Å; Q165-L167 HydrophobicContact CG-CD2 4.16Å
166	L	93.2	Very high	85.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.5	174.6	-179.8	63.7	0	0	0	108.4	Y48 I50 I60 I110 F125 L144 Y146	Y48-L166 WeakPolarHBondContact O-CA 3.49Å; I50-L166 HydrophobicContact CD1-CD1 4.11Å; I50-L166 HydrophobicContact CD1-CD2 4.16Å; I50-L166 HydrophobicContact CD1-CG 4.44Å; I50-L166 HydrophobicContact CG1-CD1 3.94Å; I50-L166 HydrophobicContact CG1-CG 4.47Å; I50-L166 HydrophobicContact CG2-CD1 4.23Å; I60-L166 HydrophobicContact CD1-CD1 4.48Å; I60-L166 HydrophobicContact CD1-CD2 4.09Å; I60-L166 HydrophobicContact CG2-CD1 3.67Å; I110-L166 HydrophobicContact CG2-CD2 4.36Å; F125-L166 HydrophobicContact CE2-CD2 4.23Å; F125-L166 HydrophobicContact CZ-CD2 4.02Å; L144-L166 HydrophobicContact CB-CB 4.28Å; L144-L166 HydrophobicContact CD1-CD2 4.48Å; L144-L166 PolarHBondContact N-O 2.96Å; L144-L166 PolarHBondContact O-N 2.86Å; Y146-L166 HydrophobicContact CE2-CB 4.37Å; Y146-L166 HydrophobicContact CE2-CD2 4.17Å
167	L	92.3	Very high	87.1	Confident	35 Å²	35	32.7 Å²	32.7	18%	0.183	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129	172	-57	-179.5	0	0	0	108.7	Y48 T49 I50 F141 E143 Q165	Y48-L167 PolarHBondContact O-N 2.81Å; T49-L167 WeakPolarHBondContact CA-O 3.43Å; T49-L167 HydrophobicContact CG2-CB 4.18Å; I50-L167 PolarHBondContact N-O 2.86Å; F141-L167 HydrophobicContact CD2-CD2 4.06Å; F141-L167 HydrophobicContact CE2-CD2 4.05Å; E143-L167 HydrophobicContact CB-CD2 4.45Å; E143-L167 HydrophobicContact CG-CD2 3.77Å; Q165-L167 HydrophobicContact CG-CD2 4.16Å
168	I	91.8	Very high	88.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.2	171.8	-61.6	162.3	0	0	0	107.5	I50 E52 F125 L127 L130 F141 A142 L144	I50-I168 HydrophobicContact CD1-CG1 4.23Å; I50-I168 HydrophobicContact CG1-CG1 4.01Å; I50-I168 WeakPolarHBondContact O-CA 3.26Å; E52-I168 HydrophobicContact CB-CG2 3.75Å; F125-I168 HydrophobicContact CB-CD1 3.82Å; F125-I168 HydrophobicContact CB-CG1 4.5Å; F125-I168 HydrophobicContact CB-CG2 4.48Å; F125-I168 HydrophobicContact CD1-CD1 3.35Å; F125-I168 HydrophobicContact CD2-CD1 4.38Å; F125-I168 HydrophobicContact CE1-CD1 3.91Å; F125-I168 HydrophobicContact CG-CD1 3.61Å; F125-I168 HydrophobicContact CG-CG1 4.45Å; L127-I168 HydrophobicContact CD1-CB 4.44Å; L127-I168 HydrophobicContact CD1-CG2 4.19Å; L130-I168 HydrophobicContact CD1-CD1 3.71Å; F141-I168 WeakPolarHBondContact CA-O 3.26Å; F141-I168 WeakPolarHBondContact CB-O 3.26Å; A142-I168 HydrophobicContact CB-CB 4.41Å; A142-I168 PolarHBondContact N-O 3.21Å; A142-I168 VanDerWaalsContact N-O 3.08Å; A142-I168 PolarHBondContact O-N 3.28Å; L144-I168 HydrophobicContact CD1-CD1 3.41Å; L144-I168 VanDerWaalsContact CD1-CD1 3.41Å; L144-I168 HydrophobicContact CD1-CG1 4.46Å; L144-I168 HydrophobicContact CG-CD1 4.42Å
169	I	90.1	Very high	88.8	Confident	72 Å²	72	28 Å²	28	37%	0.369	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.1	179.1	61	176.1	0	0	0	111.9	T49 I50 T51 E52 F141	T49-I169 HydrophobicContact CG2-CD1 4.03Å; T49-I169 HydrophobicContact CG2-CG1 4.18Å; T49-I169 HydrophobicContact CG2-CG2 3.91Å; I50-I169 PolarHBondContact O-N 3.27Å; T51-I169 WeakPolarHBondContact CA-O 3.35Å; T51-I169 HydrophobicContact CG2-CD1 4.29Å; T51-I169 HydrophobicContact CG2-CG1 4.1Å; E52-I169 PolarHBondContact N-O 3.46Å; F141-I169 HydrophobicContact CB-CG2 4.17Å
170	D	89.2	Confident	89.2	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.053	18%	0.179	C	C	.	.			trans	-51.5	136.1	179.2	-142.4	70	0	0	0	112.6	E52 L127 I211 H212 Y215	E52-D170 WeakPolarHBondContact OE1-CA 3.45Å; L127-D170 HydrophobicContact CD2-CB 3.96Å; L127-D170 WeakPolarHBondContact CD2-OD1 3.27Å; D170-I211 VanDerWaalsContact OD1-CB 3.29Å; D170-I211 WeakPolarHBondContact OD1-CB 3.1Å; D170-I211 PolarHBondContact OD1-N 3.29Å; D170-I211 PolarHBondContact OD2-N 3.45Å; D170-H212 HydrophobicContact CB-CB 3.83Å; D170-H212 PolarHBondContact OD1-N 2.87Å; D170-H212 WeakPolarHBondContact OD2-CA 3.07Å; D170-H212 WeakPolarHBondContact OD2-CB 3.07Å; D170-H212 PolarHBondContact OD2-N 3.43Å; D170-Y215 HydrophobicContact CB-CD2 4.4Å; D170-Y215 HydrophobicContact CB-CE2 4.22Å; D170-Y215 WeakPolarHBondContact OD2-CD2 3.49Å
171	L	87.9	Confident	89.5	Confident	55 Å²	55	40.7 Å²	40.7	29%	0.288	22%	0.218	S	C	.	.			trans	-105.8	153.1	160.4	-72.1	176.8	0	0	0	110	T51 E52 N53 D173	T51-L171 HydrophobicContact CG2-CD2 3.88Å; T51-L171 HydrophobicContact CG2-CG 4.43Å; E52-L171 HydrophobicContact CG-CB 4.05Å; E52-L171 HydrophobicContact CG-CD1 3.97Å; E52-L171 HydrophobicContact CG-CG 3.95Å; E52-L171 PolarHBondContact OE1-N 2.95Å; N53-L171 HydrophobicContact CB-CD1 4.3Å; L171-D173 HydrophobicContact CB-CB 4.24Å; L171-D173 WeakPolarHBondContact CB-OD2 3.21Å; L171-D173 PolarHBondContact O-N 3.05Å
172	N	85.1	Confident	89.6	Confident	51 Å²	51	39.8 Å²	39.8	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	-82	67.7	169.5	-166.9	124.3	0	0	0	108.3	D210 Y215	N172-D210 WeakPolarHBondContact CA-OD2 3.17Å; N172-Y215 HydrophobicContact CB-CD1 3.81Å; N172-Y215 HydrophobicContact CB-CD2 3.81Å; N172-Y215 HydrophobicContact CB-CE1 4.13Å; N172-Y215 HydrophobicContact CB-CE2 4.14Å; N172-Y215 HydrophobicContact CB-CG 3.67Å; N172-Y215 VanDerWaalsContact OD1-CB 3.3Å; N172-Y215 WeakPolarHBondContact OD1-CB 3.26Å; N172-Y215 WeakPolarHBondContact OD1-CD1 3.49Å
173	D	85.8	Confident	89.6	Confident	72 Å²	72	48.1 Å²	48.1	39%	0.385	25%	0.25	S	C	.	.			trans	-123.2	0.7	-173.1	81.4	42.6	0	0	0	116.6	N53 L171 D210	N53-D173 PolarHBondContact ND2-OD1 3.32Å; N53-D173 PolarHBondContact ND2-OD2 2.93Å; L171-D173 HydrophobicContact CB-CB 4.24Å; L171-D173 WeakPolarHBondContact CB-OD2 3.21Å; L171-D173 PolarHBondContact O-N 3.05Å; D173-D210 PolarHBondContact N-OD1 3.31Å
174	N	86.8	Confident	89.4	Confident	36 Å²	36	52.9 Å²	52.9	19%	0.193	27%	0.267	C	S	.	.	S	Bend	trans	-88.3	152.3	152.5	-56.8	-92.6	0	0	0	109.8	E128 D210	E128-N174 PolarHBondContact OE2-ND2 2.82Å; N174-D210 WeakPolarHBondContact CB-OD1 3.2Å; N174-D210 PolarHBondContact N-OD1 2.84Å; N174-D210 PolarHBondContact ND2-OD1 2.85Å
175	L	85.6	Confident	89.3	Confident	76 Å²	76	55 Å²	55	40%	0.398	28%	0.281	S	S	.	.			trans	-112.5	144.2	173.6	-75.3	172	0	0	0	109.6	F177 D283	L175-F177 PolarHBondContact O-N 3.07Å; L175-D283 HydrophobicContact CD1-CB 4.48Å; L175-D283 HydrophobicContact CD2-CB 3.92Å
176	P	90.1	Very high	89.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.013	29%	0.288	C	S	.	.			trans	-66.8	129.2	179.4	25.5	-32.4	0	0	0	111.2	I207 D208 I218 C269	P176-I207 WeakPolarHBondContact CA-O 3.42Å; P176-D208 HydrophobicContact CB-CB 4.25Å; P176-D208 WeakPolarHBondContact CD-OD2 3.37Å; P176-I218 HydrophobicContact CB-CD1 4Å; P176-I218 HydrophobicContact CB-CG1 4Å; P176-I218 HydrophobicContact CB-CG2 4.04Å; P176-C269 PolarHBondContact O-SG 3.14Å
177	F	90.8	Very high	89.3	Confident	54 Å²	54	62.4 Å²	62.4	24%	0.237	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-140.1	148.7	-173.6	73.7	-76.5	0	0	0	112.8	L175 P179 A206 I207 Y209 D285	L175-F177 PolarHBondContact O-N 3.07Å; F177-P179 HydrophobicContact CE2-CB 4.34Å; F177-P179 WeakPolarHBondContact O-CD 3.08Å; F177-A206 CarbonylContact O-C 3.55Å; F177-A206 VanDerWaalsContact O-CA 3.27Å; F177-A206 WeakPolarHBondContact O-CA 3.4Å; F177-A206 WeakPolarHBondContact O-CB 3.19Å; F177-I207 WeakPolarHBondContact CD1-O 2.97Å; F177-I207 HydrophobicContact CE1-CB 4.13Å; F177-I207 HydrophobicContact CE1-CG2 4.21Å; F177-I207 WeakPolarHBondContact CE1-O 2.94Å; F177-I207 HydrophobicContact CZ-CB 4.27Å; F177-I207 HydrophobicContact CZ-CG2 4.45Å; F177-I207 PolarHBondContact N-O 2.77Å; F177-I207 PolarHBondContact O-N 2.81Å; F177-Y209 AromaticContact CE1-CD2 3.74Å; F177-Y209 HydrophobicContact CE1-CD2 3.74Å; F177-Y209 AromaticContact CE1-CE2 3.46Å; F177-Y209 HydrophobicContact CE1-CE2 3.46Å; F177-Y209 VanDerWaalsContact CE1-CE2 3.46Å; F177-Y209 HydrophobicContact CZ-CD2 4.19Å; F177-Y209 AromaticContact CZ-CE2 3.43Å; F177-Y209 HydrophobicContact CZ-CE2 3.43Å; F177-Y209 VanDerWaalsContact CZ-CE2 3.43Å; F177-Y209 AromaticContact CZ-CZ 3.72Å; F177-D285 HydrophobicContact CB-CB 4.27Å
178	F	91.7	Very high	89.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.308	C	S	.	.			trans	-79.8	116.9	172.1	-67.7	-81.5	0	0	0	109.9	L180 I182 R184 A206 Y220 L267 C269 D285 L287	F178-L180 PolarHBondContact O-N 3.46Å; F178-I182 HydrophobicContact CB-CD1 3.97Å; F178-I182 HydrophobicContact CD1-CD1 4.31Å; F178-R184 PolarHBondContact O-NH2 3.45Å; F178-A206 HydrophobicContact CD1-CB 4.07Å; F178-A206 HydrophobicContact CE1-CB 3.98Å; F178-A206 HydrophobicContact CE2-CB 4.43Å; F178-A206 HydrophobicContact CG-CB 4.32Å; F178-A206 HydrophobicContact CZ-CB 4.15Å; F178-Y220 HydrophobicContact CE1-CE1 4.02Å; F178-Y220 HydrophobicContact CZ-CD1 4.24Å; F178-Y220 AromaticContact CZ-CE1 3.98Å; F178-Y220 HydrophobicContact CZ-CE1 3.98Å; F178-L267 HydrophobicContact CE1-CD2 3.62Å; F178-L267 HydrophobicContact CE1-CG 4.18Å; F178-L267 VanDerWaalsContact CE2-O 3.24Å; F178-L267 WeakPolarHBondContact CE2-O 3.23Å; F178-L267 HydrophobicContact CZ-CB 4.41Å; F178-L267 HydrophobicContact CZ-CD2 3.74Å; F178-L267 HydrophobicContact CZ-CG 3.75Å; F178-C269 HydrophobicContact CE2-CB 3.76Å; F178-C269 WeakPolarHBondContact CE2-SG 3.41Å; F178-C269 HydrophobicContact CZ-CB 3.82Å; F178-D285 HydrophobicContact CD2-CB 4.42Å; F178-D285 PolarHBondContact N-OD2 2.98Å; F178-L287 HydrophobicContact CB-CB 4.44Å; F178-L287 HydrophobicContact CD1-CB 4.16Å; F178-L287 HydrophobicContact CD1-CD2 4.06Å; F178-L287 HydrophobicContact CD2-CB 3.79Å; F178-L287 HydrophobicContact CE1-CB 4.39Å; F178-L287 HydrophobicContact CE1-CD2 4.44Å; F178-L287 HydrophobicContact CE2-CB 4.04Å; F178-L287 HydrophobicContact CG-CB 3.86Å; F178-L287 HydrophobicContact CG-CD2 4.4Å; F178-L287 HydrophobicContact CZ-CB 4.35Å
179	P	90.2	Very high	89.2	Confident	23 Å²	23	68 Å²	68	15%	0.149	34%	0.337	C	S	.	.			trans	-56.1	138.2	-173	18.5	-31.7	0	0	0	113.4	F177 T181 I182 I207	F177-P179 HydrophobicContact CE2-CB 4.34Å; F177-P179 WeakPolarHBondContact O-CD 3.08Å; P179-T181 PolarHBondContact O-N 3.41Å; P179-I182 HydrophobicContact CG-CD1 3.67Å; P179-I182 HydrophobicContact CG-CG1 4.18Å; P179-I182 WeakPolarHBondContact O-CB 3.44Å; P179-I182 WeakPolarHBondContact O-CG1 3.41Å; P179-I182 PolarHBondContact O-N 2.77Å; P179-I207 HydrophobicContact CB-CD1 4.06Å; P179-I207 HydrophobicContact CG-CD1 3.81Å; P179-I207 HydrophobicContact CG-CG1 4.15Å
180	L	87	Confident	89.3	Confident	158 Å²	158	64.7 Å²	64.7	83%	0.827	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.7	-174.3	-60.7	175.7	0	0	0	114.9	F178 I182	F178-L180 PolarHBondContact O-N 3.46Å; L180-I182 VanDerWaalsContact C-N 3.32Å
181	T	88.6	Confident	89.1	Confident	136 Å²	136	68.4 Å²	68.4	83%	0.834	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.7	169.9	51.3	0	0	0	0	112.9	P179	P179-T181 PolarHBondContact O-N 3.41Å
182	I	89.5	Confident	89	Confident	25 Å²	25	65.9 Å²	65.9	13%	0.128	32%	0.323	C	S	.	.	S	Bend	trans	-73.6	126.8	172.5	-58.2	162.4	0	0	0	108.3	F178 P179 L180 R184 Y186 P204 L287	F178-I182 HydrophobicContact CB-CD1 3.97Å; F178-I182 HydrophobicContact CD1-CD1 4.31Å; P179-I182 HydrophobicContact CG-CD1 3.67Å; P179-I182 HydrophobicContact CG-CG1 4.18Å; P179-I182 WeakPolarHBondContact O-CB 3.44Å; P179-I182 WeakPolarHBondContact O-CG1 3.41Å; P179-I182 PolarHBondContact O-N 2.77Å; L180-I182 VanDerWaalsContact C-N 3.32Å; I182-R184 PolarHBondContact O-N 2.77Å; I182-Y186 HydrophobicContact CG2-CD2 3.57Å; I182-Y186 HydrophobicContact CG2-CE2 4.24Å; I182-Y186 HydrophobicContact CG2-CG 4.33Å; I182-P204 HydrophobicContact CD1-CB 3.71Å; I182-P204 HydrophobicContact CD1-CG 4.48Å; I182-P204 HydrophobicContact CG1-CB 4.12Å; I182-P204 HydrophobicContact CG2-CB 4.4Å; I182-P204 HydrophobicContact CG2-CG 4.32Å; I182-L287 HydrophobicContact CG2-CD1 3.93Å; I182-L287 HydrophobicContact CG2-CD2 3.97Å
183	K	87.1	Confident	88.6	Confident	175 Å²	175	66.5 Å²	66.5	76%	0.761	33%	0.328	S	S	*	.			trans	-60.9	128.4	171.4	-66.2	-178.6	-179.7	178.5	0	109.3	P185 Y186	K183-P185 CarbonylContact C-O 3.29Å; K183-P185 CarbonylContact O-C 3.55Å; K183-Y186 VanDerWaalsContact O-CA 3.27Å; K183-Y186 WeakPolarHBondContact O-CA 3.2Å; K183-Y186 PolarHBondContact O-N 2.94Å; K183-Y186 VanDerWaalsContact O-N 3.15Å
184	R	88.3	Confident	88.2	Confident	103 Å²	103	67.6 Å²	67.6	39%	0.389	33%	0.333	S	S	.	.	S	Bend	trans	-111.7	126.5	172	-55.1	-158.5	-174.2	-162.3	11.8	109.3	F178 I182 D285 Q286 L287	F178-R184 PolarHBondContact O-NH2 3.45Å; I182-R184 PolarHBondContact O-N 2.77Å; R184-D285 IonicContact CZ-OD1 2.64Å; R184-D285 IonicContact CZ-OD2 3.62Å; R184-D285 IonicContact NH1-OD1 2.68Å; R184-D285 PolarHBondContact NH1-OD1 2.91Å; R184-D285 IonicContact NH1-OD2 3.98Å; R184-D285 PolarHBondContact NH1-OD2 3.42Å; R184-D285 IonicContact NH2-OD1 2.71Å; R184-D285 PolarHBondContact NH2-OD1 2.99Å; R184-D285 IonicContact NH2-OD2 2.72Å; R184-D285 PolarHBondContact NH2-OD2 3.23Å; R184-Q286 PolarHBondContact NH1-O 3.48Å; R184-L287 HydrophobicContact CG-CD1 3.75Å
185	P	90.5	Very high	87.9	Confident	45 Å²	45	69 Å²	69	29%	0.292	34%	0.336	S	S	.	.	S	Bend	cis	-61.6	151.1	-11.6	27.4	-35.2	0	0	0	112.4	K183 K187 E288 I290	K183-P185 CarbonylContact C-O 3.29Å; K183-P185 CarbonylContact O-C 3.55Å; P185-K187 PolarHBondContact O-N 2.78Å; P185-E288 CarbonylContact C-O 3.59Å; P185-E288 VanDerWaalsContact CA-O 3.31Å; P185-E288 WeakPolarHBondContact CA-O 3.46Å; P185-E288 HydrophobicContact CB-CB 3.99Å; P185-E288 HydrophobicContact CB-CG 3.9Å; P185-I290 HydrophobicContact CB-CD1 3.69Å; P185-I290 HydrophobicContact CB-CG1 4.06Å; P185-I290 HydrophobicContact CG-CD1 3.68Å
186	Y	93.4	Very high	87.6	Confident	71 Å²	71	70.7 Å²	70.7	28%	0.278	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.7	173.4	-172	-99	0	0	0	109	I182 K183 I188 P204 L287 E288 M289 I290	I182-Y186 HydrophobicContact CG2-CD2 3.57Å; I182-Y186 HydrophobicContact CG2-CE2 4.24Å; I182-Y186 HydrophobicContact CG2-CG 4.33Å; K183-Y186 VanDerWaalsContact O-CA 3.27Å; K183-Y186 WeakPolarHBondContact O-CA 3.2Å; K183-Y186 PolarHBondContact O-N 2.94Å; K183-Y186 VanDerWaalsContact O-N 3.15Å; Y186-I188 HydrophobicContact CD1-CD1 4.3Å; Y186-I188 HydrophobicContact CD1-CG1 3.99Å; Y186-I188 HydrophobicContact CE1-CD1 3.91Å; Y186-I188 HydrophobicContact CE1-CG1 3.69Å; Y186-P204 HydrophobicContact CD1-CG 4.24Å; Y186-P204 HydrophobicContact CD2-CG 4.16Å; Y186-P204 HydrophobicContact CE1-CG 4.16Å; Y186-P204 HydrophobicContact CE2-CG 4.07Å; Y186-P204 HydrophobicContact CG-CG 4.22Å; Y186-L287 HydrophobicContact CG-CD2 4.39Å; Y186-E288 PolarHBondContact N-O 3.04Å; Y186-M289 HydrophobicContact CD1-CE 3.68Å; Y186-M289 HydrophobicContact CD1-SD 3.74Å; Y186-M289 HydrophobicContact CE1-CE 4.29Å; Y186-M289 HydrophobicContact CG-SD 4.21Å; Y186-I290 PolarHBondContact O-N 3.23Å
187	K	92.9	Very high	87.5	Confident	111 Å²	111	77 Å²	77	48%	0.483	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.3	-176.9	-81.7	-177.6	160.1	-91.9	0	111.8	P185 I290 D292	P185-K187 PolarHBondContact O-N 2.78Å; K187-I290 WeakPolarHBondContact CA-O 3.46Å; K187-I290 HydrophobicContact CG-CB 4.02Å; K187-I290 HydrophobicContact CG-CG2 4.32Å; K187-D292 VanDerWaalsContact NZ-CG 3.34Å; K187-D292 IonicContact NZ-OD1 2.9Å; K187-D292 PolarHBondContact NZ-OD1 3.12Å; K187-D292 VanDerWaalsContact NZ-OD1 3.15Å; K187-D292 IonicContact NZ-OD2 3.92Å; K187-D292 PolarHBondContact NZ-OD2 2.72Å
188	I	91.6	Very high	87.3	Confident	24 Å²	24	76.8 Å²	76.8	12%	0.123	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.7	168.7	-50.6	173.9	0	0	0	107.2	Y186 L190 I201 L203 M289 I290 I291 D292	Y186-I188 HydrophobicContact CD1-CD1 4.3Å; Y186-I188 HydrophobicContact CD1-CG1 3.99Å; Y186-I188 HydrophobicContact CE1-CD1 3.91Å; Y186-I188 HydrophobicContact CE1-CG1 3.69Å; I188-L190 HydrophobicContact CG2-CD2 3.65Å; I188-L190 HydrophobicContact CG2-CG 4.02Å; I188-I201 HydrophobicContact CD1-CG2 4.16Å; I188-L203 HydrophobicContact CD1-CD2 4.18Å; I188-M289 HydrophobicContact CD1-CE 3.93Å; I188-I290 PolarHBondContact N-O 2.64Å; I188-I291 HydrophobicContact CB-CG1 4.38Å; I188-I291 HydrophobicContact CD1-CG1 4.47Å; I188-I291 WeakPolarHBondContact O-CA 3.27Å; I188-D292 PolarHBondContact O-N 3.41Å
189	Q	91.9	Very high	87.2	Confident	128 Å²	128	81.1 Å²	81.1	60%	0.598	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.8	169.5	-74.7	-178.6	-36.2	0	0	109	D292 L294	Q189-D292 WeakPolarHBondContact CA-O 3.16Å; Q189-D292 HydrophobicContact CG-CB 4.17Å; Q189-L294 HydrophobicContact CB-CD1 4.06Å; Q189-L294 HydrophobicContact CB-CG 4.32Å; Q189-L294 HydrophobicContact CG-CD2 4.44Å
190	L	91.3	Very high	87.3	Confident	3 Å²	3	84 Å²	84	2%	0.016	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.2	177.7	-55.6	179.1	0	0	0	108.6	I188 Y195 I201 L255 I291 D292 V293 L294	I188-L190 HydrophobicContact CG2-CD2 3.65Å; I188-L190 HydrophobicContact CG2-CG 4.02Å; L190-Y195 HydrophobicContact CB-CG 4.38Å; L190-Y195 HydrophobicContact CD2-CD1 3.77Å; L190-Y195 HydrophobicContact CD2-CE1 3.49Å; L190-Y195 VanDerWaalsContact CD2-CE1 3.49Å; L190-Y195 HydrophobicContact CD2-CG 4.42Å; L190-I201 HydrophobicContact CD1-CD1 3.55Å; L190-I201 HydrophobicContact CD2-CD1 3.86Å; L190-I201 HydrophobicContact CG-CD1 4.39Å; L190-L255 HydrophobicContact CB-CD1 3.75Å; L190-L255 HydrophobicContact CD1-CD1 3.64Å; L190-L255 HydrophobicContact CG-CD1 4.36Å; L190-I291 HydrophobicContact CB-CG2 4.43Å; L190-I291 HydrophobicContact CD1-CD1 4.39Å; L190-I291 HydrophobicContact CD1-CG2 3.52Å; L190-I291 HydrophobicContact CG-CG2 3.9Å; L190-D292 PolarHBondContact N-O 2.73Å; L190-V293 CarbonylContact O-C 3.56Å; L190-V293 WeakPolarHBondContact O-CA 3.18Å; L190-L294 PolarHBondContact O-N 2.79Å
191	K	85.8	Confident	87.4	Confident	89 Å²	89	77.6 Å²	77.6	39%	0.387	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.1	169.4	-74.7	-175.8	161	-126.5	0	109.1	I194 Y195 L294 I296	K191-I194 HydrophobicContact CB-CB 4.35Å; K191-I194 HydrophobicContact CB-CD1 4.21Å; K191-I194 HydrophobicContact CD-CD1 3.74Å; K191-Y195 HydrophobicContact CB-CD2 4.47Å; K191-Y195 WeakPolarHBondContact O-CB 3.34Å; K191-Y195 WeakPolarHBondContact O-CD2 3.11Å; K191-Y195 PolarHBondContact O-N 2.86Å; K191-L294 HydrophobicContact CG-CB 4.03Å; K191-L294 HydrophobicContact CG-CD1 4.17Å; K191-I296 HydrophobicContact CB-CD1 4.19Å; K191-I296 HydrophobicContact CD-CD1 4.25Å
192	E	85.6	Confident	87.6	Confident	2 Å²	2	76 Å²	76	1%	0.009	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	171.8	162.4	72.4	-152.1	128.3	0	0	111.7	I194 L255 Y257 V293 N295 I296	E192-I194 PolarHBondContact O-N 3.36Å; E192-L255 HydrophobicContact CB-CB 4.42Å; E192-L255 WeakPolarHBondContact CB-O 3.05Å; E192-Y257 WeakPolarHBondContact OE1-CB 3.36Å; E192-Y257 WeakPolarHBondContact OE2-CA 3.38Å; E192-Y257 WeakPolarHBondContact OE2-CB 3.28Å; E192-Y257 PolarHBondContact OE2-N 2.56Å; E192-V293 HydrophobicContact CB-CG1 4.3Å; E192-N295 WeakPolarHBondContact OE1-CA 3.27Å; E192-I296 HydrophobicContact CG-CB 4.13Å; E192-I296 HydrophobicContact CG-CG1 4.29Å; E192-I296 VanDerWaalsContact O-CD1 3.26Å; E192-I296 WeakPolarHBondContact O-CD1 3.19Å; E192-I296 PolarHBondContact OE1-N 3.14Å
193	V	75.6	Confident	87.7	Confident	63 Å²	63	75.1 Å²	75.1	38%	0.382	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-46.4	-172.9	-179.8	0	0	0	0	114.9	H196 D298	V193-H196 PolarHBondContact O-CE1 2.89Å; V193-H196 PolarHBondContact O-ND1 3.48Å; V193-H196 PolarHBondContact O-NE2 2.92Å; V193-D298 HydrophobicContact CG2-CB 4.31Å; V193-D298 WeakPolarHBondContact CG2-OD2 3.08Å
194	I	77.3	Confident	87.9	Confident	96 Å²	96	67.8 Å²	67.8	49%	0.492	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.5	177.7	-59.6	180	0	0	0	112	K191 E192 H196 I296	K191-I194 HydrophobicContact CB-CB 4.35Å; K191-I194 HydrophobicContact CB-CD1 4.21Å; K191-I194 HydrophobicContact CD-CD1 3.74Å; E192-I194 PolarHBondContact O-N 3.36Å; I194-H196 PolarHBondContact O-N 3.22Å; I194-I296 HydrophobicContact CD1-CD1 3.91Å; I194-I296 HydrophobicContact CG1-CD1 3.98Å
195	Y	80.2	Confident	88	Confident	64 Å²	64	66.8 Å²	66.8	25%	0.251	33%	0.328	S	S	.	.	S	Bend	trans	-100.4	79.2	179.2	-75.7	-105.6	0	0	0	110.3	L190 K191 K199 L251	L190-Y195 HydrophobicContact CB-CG 4.38Å; L190-Y195 HydrophobicContact CD2-CD1 3.77Å; L190-Y195 HydrophobicContact CD2-CE1 3.49Å; L190-Y195 VanDerWaalsContact CD2-CE1 3.49Å; L190-Y195 HydrophobicContact CD2-CG 4.42Å; K191-Y195 HydrophobicContact CB-CD2 4.47Å; K191-Y195 WeakPolarHBondContact O-CB 3.34Å; K191-Y195 WeakPolarHBondContact O-CD2 3.11Å; K191-Y195 PolarHBondContact O-N 2.86Å; Y195-K199 HydrophobicContact CD1-CD 4.35Å; Y195-K199 HydrophobicContact CD1-CG 3.89Å; Y195-K199 HydrophobicContact CE1-CG 4.36Å; Y195-L251 WeakPolarHBondContact O-CD2 3.15Å
196	H	81.2	Confident	88	Confident	113 Å²	113	65 Å²	65	52%	0.523	32%	0.317	S	S	.	.			trans	-71.4	156.9	176.4	-63.5	-60.8	0	0	0	114.1	V193 I194 G198 K199 D254	V193-H196 PolarHBondContact O-CE1 2.89Å; V193-H196 PolarHBondContact O-ND1 3.48Å; V193-H196 PolarHBondContact O-NE2 2.92Å; I194-H196 PolarHBondContact O-N 3.22Å; H196-G198 PolarHBondContact O-N 2.83Å; H196-K199 VanDerWaalsContact O-CB 3.28Å; H196-K199 WeakPolarHBondContact O-CB 3.48Å; H196-K199 PolarHBondContact O-N 2.97Å; H196-K199 VanDerWaalsContact O-N 3.09Å; H196-D254 WeakPolarHBondContact CA-OD1 3.42Å; H196-D254 WeakPolarHBondContact CB-OD1 3.43Å; H196-D254 IonicContact CG-OD1 2.92Å; H196-D254 IonicContact ND1-OD1 3.27Å; H196-D254 PolarHBondContact ND1-OD1 3.24Å
197	K	86.8	Confident	87.8	Confident	135 Å²	135	64.8 Å²	64.8	59%	0.587	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	133.1	163.2	175.1	173.3	-175.4	134.2	0	112.4	K252 D254	K197-K252 VanDerWaalsContact CD-O 3.23Å; K197-K252 WeakPolarHBondContact CD-O 3.44Å; K197-K252 WeakPolarHBondContact CE-O 3.49Å; K197-K252 WeakPolarHBondContact CG-O 3.49Å; K197-K252 PolarHBondContact NZ-O 3.09Å; K197-D254 PolarHBondContact N-OD1 2.75Å
198	G	87.9	Confident	87.7	Confident	48 Å²	48	60.4 Å²	60.4	50%	0.495	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	-6.6	-174.2	0	0	0	0	0	114.2	H196 L200 L251	H196-G198 PolarHBondContact O-N 2.83Å; G198-L200 PolarHBondContact O-N 2.89Å; G198-L251 PolarHBondContact N-O 2.72Å
199	K	89	Confident	87.5	Confident	91 Å²	91	65.2 Å²	65.2	40%	0.396	32%	0.319	S	S	.	.			trans	-62.1	136.4	172.4	-164.2	79.2	172.8	-161.4	0	111	Y195 H196 I201 L251	Y195-K199 HydrophobicContact CD1-CD 4.35Å; Y195-K199 HydrophobicContact CD1-CG 3.89Å; Y195-K199 HydrophobicContact CE1-CG 4.36Å; H196-K199 VanDerWaalsContact O-CB 3.28Å; H196-K199 WeakPolarHBondContact O-CB 3.48Å; H196-K199 PolarHBondContact O-N 2.97Å; H196-K199 VanDerWaalsContact O-N 3.09Å; K199-I201 HydrophobicContact CG-CG1 4.41Å; K199-L251 HydrophobicContact CB-CB 4.24Å; K199-L251 HydrophobicContact CB-CD2 4.37Å; K199-L251 PolarHBondContact O-N 2.75Å
200	L	90.8	Very high	87.4	Confident	85 Å²	85	59.2 Å²	59.2	45%	0.445	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.9	169.8	-60.6	173.1	0	0	0	109.5	G198 L240 L248 L249 L250	G198-L200 PolarHBondContact O-N 2.89Å; L200-L240 HydrophobicContact CD2-CD1 3.78Å; L200-L248 HydrophobicContact CB-CD1 4.29Å; L200-L248 HydrophobicContact CD1-CD1 4.02Å; L200-L248 HydrophobicContact CD2-CB 4.48Å; L200-L249 WeakPolarHBondContact CA-O 3.48Å; L200-L250 HydrophobicContact CD2-CB 4.06Å; L200-L250 HydrophobicContact CD2-CD1 3.82Å
201	I	90.7	Very high	87.1	Confident	23 Å²	23	60.8 Å²	60.8	12%	0.118	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.5	179.1	-57.7	167.6	0	0	0	107.8	I188 L190 K199 L248 L249	I188-I201 HydrophobicContact CD1-CG2 4.16Å; L190-I201 HydrophobicContact CD1-CD1 3.55Å; L190-I201 HydrophobicContact CD2-CD1 3.86Å; L190-I201 HydrophobicContact CG-CD1 4.39Å; K199-I201 HydrophobicContact CG-CG1 4.41Å; I201-L248 CarbonylContact O-C 3.46Å; I201-L248 WeakPolarHBondContact O-CA 3.46Å; I201-L249 HydrophobicContact CB-CB 4.35Å; I201-L249 PolarHBondContact N-O 2.69Å; I201-L249 PolarHBondContact O-N 3.27Å
202	E	91.3	Very high	87.1	Confident	101 Å²	101	59.7 Å²	59.7	47%	0.472	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.2	-178	-171.8	156.2	176	0	0	111.7	R246 L248	E202-R246 WeakPolarHBondContact OE1-CD 3.16Å; E202-R246 WeakPolarHBondContact OE1-CG 3.27Å; E202-R246 WeakPolarHBondContact OE2-CD 3.2Å; E202-R246 IonicContact OE2-NH1 2.6Å; E202-L248 HydrophobicContact CB-CD2 3.77Å; E202-L248 HydrophobicContact CG-CD2 3.92Å
203	L	93.1	Very high	86.9	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.037	31%	0.313	C	S	.	.			trans	-104.7	152.1	-176.8	-63.6	-169.9	0	0	0	112	I188 L239 L247 L249 L267 M289	I188-L203 HydrophobicContact CD1-CD2 4.18Å; L203-L239 HydrophobicContact CD1-CD2 3.72Å; L203-L247 HydrophobicContact CB-CB 4.47Å; L203-L247 HydrophobicContact CB-CD2 4.02Å; L203-L247 HydrophobicContact CB-CG 4.08Å; L203-L247 HydrophobicContact CD1-CD2 4.4Å; L203-L247 HydrophobicContact CD1-CG 4.38Å; L203-L247 PolarHBondContact N-O 2.85Å; L203-L249 HydrophobicContact CD1-CB 4.05Å; L203-L249 HydrophobicContact CD1-CD1 4.25Å; L203-L249 HydrophobicContact CD2-CB 4.09Å; L203-L249 HydrophobicContact CG-CB 4.06Å; L203-L267 HydrophobicContact CD1-CD1 4.36Å; L203-L267 HydrophobicContact CD1-CD2 4.2Å; L203-M289 HydrophobicContact CD2-CE 3.65Å
204	P	90.8	Very high	87.3	Confident	21 Å²	21	64.3 Å²	64.3	14%	0.136	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64.2	137.6	168.9	29.3	-35.2	0	0	0	110.7	I182 Y186 L287	I182-P204 HydrophobicContact CD1-CB 3.71Å; I182-P204 HydrophobicContact CD1-CG 4.48Å; I182-P204 HydrophobicContact CG1-CB 4.12Å; I182-P204 HydrophobicContact CG2-CB 4.4Å; I182-P204 HydrophobicContact CG2-CG 4.32Å; Y186-P204 HydrophobicContact CD1-CG 4.24Å; Y186-P204 HydrophobicContact CD2-CG 4.16Å; Y186-P204 HydrophobicContact CE1-CG 4.16Å; Y186-P204 HydrophobicContact CE2-CG 4.07Å; Y186-P204 HydrophobicContact CG-CG 4.22Å; P204-L287 HydrophobicContact CB-CD2 4.47Å; P204-L287 HydrophobicContact CG-CD2 3.49Å; P204-L287 VanDerWaalsContact CG-CD2 3.49Å
205	K	90.1	Very high	87.6	Confident	83 Å²	83	62.5 Å²	62.5	36%	0.361	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-90.1	152.7	176.6	-53.8	177.6	-156.9	-178.4	0	110.1	K245 L247	K205-K245 WeakPolarHBondContact CE-O 3.43Å; K205-K245 PolarHBondContact NZ-O 3.16Å; K205-L247 HydrophobicContact CG-CB 4.22Å
206	A	90.8	Very high	87.7	Confident	8 Å²	8	61.5 Å²	61.5	7%	0.066	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71.9	160.2	158.4	0	0	0	0	0	110.1	F177 F178 I218 Y220 C269	F177-A206 CarbonylContact O-C 3.55Å; F177-A206 VanDerWaalsContact O-CA 3.27Å; F177-A206 WeakPolarHBondContact O-CA 3.4Å; F177-A206 WeakPolarHBondContact O-CB 3.19Å; F178-A206 HydrophobicContact CD1-CB 4.07Å; F178-A206 HydrophobicContact CE1-CB 3.98Å; F178-A206 HydrophobicContact CE2-CB 4.43Å; F178-A206 HydrophobicContact CG-CB 4.32Å; F178-A206 HydrophobicContact CZ-CB 4.15Å; A206-I218 HydrophobicContact CB-CD1 4.04Å; A206-I218 HydrophobicContact CB-CG2 4.37Å; A206-Y220 HydrophobicContact CB-CE1 4.04Å; A206-Y220 PolarHBondContact N-OH 3.46Å; A206-Y220 PolarHBondContact O-OH 3.3Å; A206-C269 HydrophobicContact CB-CB 3.54Å; A206-C269 VanDerWaalsContact CB-SG 3.55Å
207	I	89.2	Confident	87.8	Confident	66 Å²	66	60.7 Å²	60.7	34%	0.338	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-114.7	136	170.8	-63.3	178	0	0	0	106.6	P176 F177 P179 Y209	P176-I207 WeakPolarHBondContact CA-O 3.42Å; F177-I207 WeakPolarHBondContact CD1-O 2.97Å; F177-I207 HydrophobicContact CE1-CB 4.13Å; F177-I207 HydrophobicContact CE1-CG2 4.21Å; F177-I207 WeakPolarHBondContact CE1-O 2.94Å; F177-I207 HydrophobicContact CZ-CB 4.27Å; F177-I207 HydrophobicContact CZ-CG2 4.45Å; F177-I207 PolarHBondContact N-O 2.77Å; F177-I207 PolarHBondContact O-N 2.81Å; P179-I207 HydrophobicContact CB-CD1 4.06Å; P179-I207 HydrophobicContact CG-CD1 3.81Å; P179-I207 HydrophobicContact CG-CG1 4.15Å; I207-Y209 HydrophobicContact CG2-CD1 3.83Å; I207-Y209 HydrophobicContact CG2-CE1 3.65Å; I207-Y209 HydrophobicContact CG2-CG 4.48Å
208	D	90	Very high	87.9	Confident	18 Å²	18	55.6 Å²	55.6	10%	0.096	28%	0.278	C	S	.	.			trans	-112.6	145.6	161	-159.5	-42.7	0	0	0	106.7	P176 D210 N216 I218	P176-D208 HydrophobicContact CB-CB 4.25Å; P176-D208 WeakPolarHBondContact CD-OD2 3.37Å; D208-D210 PolarHBondContact OD1-N 2.76Å; D208-D210 VanDerWaalsContact OD1-N 3.16Å; D208-N216 HydrophobicContact CB-CB 3.91Å; D208-I218 HydrophobicContact CB-CD1 3.89Å; D208-I218 HydrophobicContact CB-CG1 4.05Å
209	Y	89.1	Confident	87.8	Confident	126 Å²	126	56.6 Å²	56.6	49%	0.494	27%	0.272	S	S	.	.			trans	-104	-17.9	-176.3	-75.9	-45.3	0	0	0	113.8	E128 F177 I207 I211	E128-Y209 WeakPolarHBondContact CG-O 3.49Å; F177-Y209 AromaticContact CE1-CD2 3.74Å; F177-Y209 HydrophobicContact CE1-CD2 3.74Å; F177-Y209 AromaticContact CE1-CE2 3.46Å; F177-Y209 HydrophobicContact CE1-CE2 3.46Å; F177-Y209 VanDerWaalsContact CE1-CE2 3.46Å; F177-Y209 HydrophobicContact CZ-CD2 4.19Å; F177-Y209 AromaticContact CZ-CE2 3.43Å; F177-Y209 HydrophobicContact CZ-CE2 3.43Å; F177-Y209 VanDerWaalsContact CZ-CE2 3.43Å; F177-Y209 AromaticContact CZ-CZ 3.72Å; I207-Y209 HydrophobicContact CG2-CD1 3.83Å; I207-Y209 HydrophobicContact CG2-CE1 3.65Å; I207-Y209 HydrophobicContact CG2-CG 4.48Å; Y209-I211 PolarHBondContact O-N 3.32Å
210	D	89	Confident	87.9	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.011	26%	0.258	C	S	.	.			trans	-55.2	137.4	177.2	-65.4	-18.5	0	0	0	109.9	N172 D173 N174 D208 Y215 N216	N172-D210 WeakPolarHBondContact CA-OD2 3.17Å; D173-D210 PolarHBondContact N-OD1 3.31Å; N174-D210 WeakPolarHBondContact CB-OD1 3.2Å; N174-D210 PolarHBondContact N-OD1 2.84Å; N174-D210 PolarHBondContact ND2-OD1 2.85Å; D208-D210 PolarHBondContact OD1-N 2.76Å; D208-D210 VanDerWaalsContact OD1-N 3.16Å; D210-Y215 HydrophobicContact CB-CD2 4.49Å; D210-Y215 WeakPolarHBondContact OD2-CB 3.38Å; D210-N216 WeakPolarHBondContact O-CB 3.14Å; D210-N216 PolarHBondContact O-ND2 2.91Å
211	I	85.9	Confident	87.8	Confident	36 Å²	36	52.6 Å²	52.6	19%	0.185	25%	0.251	C	S	.	.	S	Bend	trans	-86.9	-26.3	-168.7	-68.1	145.4	0	0	0	111.8	L127 E128 C131 F140 D170 Y209 N216	L127-I211 HydrophobicContact CB-CD1 4.28Å; L127-I211 HydrophobicContact CD2-CD1 4.29Å; L127-I211 HydrophobicContact CG-CD1 3.7Å; E128-I211 HydrophobicContact CG-CD1 4.47Å; C131-I211 HydrophobicContact CB-CD1 3.38Å; C131-I211 HydrophobicContact CB-CG1 4.34Å; C131-I211 VanDerWaalsContact SG-CD1 3.56Å; F140-I211 HydrophobicContact CB-CG2 4.31Å; F140-I211 HydrophobicContact CD1-CG2 4.16Å; F140-I211 WeakPolarHBondContact CD1-O 3.36Å; D170-I211 VanDerWaalsContact OD1-CB 3.29Å; D170-I211 WeakPolarHBondContact OD1-CB 3.1Å; D170-I211 PolarHBondContact OD1-N 3.29Å; D170-I211 PolarHBondContact OD2-N 3.45Å; Y209-I211 PolarHBondContact O-N 3.32Å; I211-N216 PolarHBondContact O-ND2 2.93Å
212	H	83.9	Confident	87.8	Confident	66 Å²	66	51.9 Å²	51.9	31%	0.306	25%	0.248	S	C	.	.	S	Bend	trans	-73.5	126.7	-178.6	-170.9	-96.7	0	0	0	111.2	F140 D170 K214 Y215 N216	F140-H212 HydrophobicContact CB-CB 4.16Å; F140-H212 AromaticContact CD2-CD2 3.84Å; D170-H212 HydrophobicContact CB-CB 3.83Å; D170-H212 PolarHBondContact OD1-N 2.87Å; D170-H212 WeakPolarHBondContact OD2-CA 3.07Å; D170-H212 WeakPolarHBondContact OD2-CB 3.07Å; D170-H212 PolarHBondContact OD2-N 3.43Å; H212-K214 VanDerWaalsContact ND1-CB 3.32Å; H212-K214 WeakPolarHBondContact ND1-CB 3.45Å; H212-K214 PolarHBondContact ND1-N 2.96Å; H212-K214 PolarHBondContact O-N 2.75Å; H212-Y215 HydrophobicContact CB-CD2 3.95Å; H212-Y215 HydrophobicContact CB-CE2 4.27Å; H212-Y215 HydrophobicContact CB-CG 4.45Å; H212-Y215 PolarHBondContact O-N 3.09Å; H212-N216 PolarHBondContact O-N 3.09Å; H212-N216 PolarHBondContact O-ND2 2.95Å
213	P	82.8	Confident	87.4	Confident	60 Å²	60	48.9 Å²	48.9	39%	0.39	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-6.8	-173	-26.2	34.2	0	0	0	116.9	F140	F140-P213 HydrophobicContact CD1-CG 4.1Å; F140-P213 HydrophobicContact CD2-CG 4.28Å; F140-P213 HydrophobicContact CE1-CG 3.54Å; F140-P213 HydrophobicContact CE2-CG 3.75Å; F140-P213 HydrophobicContact CG-CG 4.45Å; F140-P213 HydrophobicContact CZ-CG 3.35Å
214	K	83.1	Confident	86.8	Confident	102 Å²	102	49.3 Å²	49.3	44%	0.443	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-31.4	172.7	-171.1	-169.1	166.6	-163.2	0	111.8	H212 N273	H212-K214 VanDerWaalsContact ND1-CB 3.32Å; H212-K214 WeakPolarHBondContact ND1-CB 3.45Å; H212-K214 PolarHBondContact ND1-N 2.96Å; H212-K214 PolarHBondContact O-N 2.75Å; K214-N273 VanDerWaalsContact CE-CG 3.46Å; K214-N273 WeakPolarHBondContact CE-OD1 3.49Å; K214-N273 PolarHBondContact O-ND2 3.31Å
215	Y	84.4	Confident	85.8	Confident	57 Å²	57	54.9 Å²	54.9	22%	0.224	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-47.9	-174.2	-57	-23.7	0	0	0	109.7	D170 N172 D210 H212 E217	D170-Y215 HydrophobicContact CB-CD2 4.4Å; D170-Y215 HydrophobicContact CB-CE2 4.22Å; D170-Y215 WeakPolarHBondContact OD2-CD2 3.49Å; N172-Y215 HydrophobicContact CB-CD1 3.81Å; N172-Y215 HydrophobicContact CB-CD2 3.81Å; N172-Y215 HydrophobicContact CB-CE1 4.13Å; N172-Y215 HydrophobicContact CB-CE2 4.14Å; N172-Y215 HydrophobicContact CB-CG 3.67Å; N172-Y215 VanDerWaalsContact OD1-CB 3.3Å; N172-Y215 WeakPolarHBondContact OD1-CB 3.26Å; N172-Y215 WeakPolarHBondContact OD1-CD1 3.49Å; D210-Y215 HydrophobicContact CB-CD2 4.49Å; D210-Y215 WeakPolarHBondContact OD2-CB 3.38Å; H212-Y215 HydrophobicContact CB-CD2 3.95Å; H212-Y215 HydrophobicContact CB-CE2 4.27Å; H212-Y215 HydrophobicContact CB-CG 4.45Å; H212-Y215 PolarHBondContact O-N 3.09Å; Y215-E217 PolarHBondContact O-N 2.9Å
216	N	83.1	Confident	85	Confident	43 Å²	43	54.1 Å²	54.1	23%	0.23	27%	0.266	C	S	.	.	S	Bend	trans	-70.4	21.8	172.3	65.2	55.9	0	0	0	116.7	D208 D210 I211 H212	D208-N216 HydrophobicContact CB-CB 3.91Å; D210-N216 WeakPolarHBondContact O-CB 3.14Å; D210-N216 PolarHBondContact O-ND2 2.91Å; I211-N216 PolarHBondContact O-ND2 2.93Å; H212-N216 PolarHBondContact O-N 3.09Å; H212-N216 PolarHBondContact O-ND2 2.95Å
217	E	83.2	Confident	83.9	Confident	97 Å²	97	59.7 Å²	59.7	45%	0.453	30%	0.299	S	S	.	.			trans	-93.5	101.9	174.8	-144.8	-175.7	-175.1	0	0	110.6	Y215 I272	Y215-E217 PolarHBondContact O-N 2.9Å; E217-I272 HydrophobicContact CB-CD1 4.04Å; E217-I272 HydrophobicContact CG-CD1 3.79Å; E217-I272 WeakPolarHBondContact O-CG1 3.11Å; E217-I272 PolarHBondContact O-N 2.75Å
218	I	87.3	Confident	83	Confident	28 Å²	28	65.1 Å²	65.1	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.7	-171.4	-47.4	178.8	0	0	0	111.2	P176 A206 D208 Y220 C269 K270	P176-I218 HydrophobicContact CB-CD1 4Å; P176-I218 HydrophobicContact CB-CG1 4Å; P176-I218 HydrophobicContact CB-CG2 4.04Å; A206-I218 HydrophobicContact CB-CD1 4.04Å; A206-I218 HydrophobicContact CB-CG2 4.37Å; D208-I218 HydrophobicContact CB-CD1 3.89Å; D208-I218 HydrophobicContact CB-CG1 4.05Å; I218-Y220 HydrophobicContact CB-CE2 3.84Å; I218-Y220 HydrophobicContact CG2-CD2 4.2Å; I218-Y220 HydrophobicContact CG2-CE1 4.26Å; I218-Y220 HydrophobicContact CG2-CE2 3.62Å; I218-C269 HydrophobicContact CG2-CB 3.7Å; I218-K270 CarbonylContact C-O 3.5Å; I218-K270 WeakPolarHBondContact CA-O 3.28Å
219	D	86.8	Confident	82.2	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.364	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	149.3	165.5	-180	40.9	0	0	0	111.2	C269 K270 I272	D219-C269 WeakPolarHBondContact O-CA 3.48Å; D219-K270 HydrophobicContact CB-CB 4.48Å; D219-K270 PolarHBondContact N-O 2.74Å; D219-K270 PolarHBondContact O-N 2.88Å; D219-I272 HydrophobicContact CB-CD1 4.36Å; D219-I272 HydrophobicContact CB-CG1 3.79Å
220	Y	90.6	Very high	81.7	Confident	29 Å²	29	64 Å²	64	11%	0.114	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.5	-177.6	-69.6	-90.6	0	0	0	111.6	F178 A206 I218 I241 L247 L267 I268 C269	F178-Y220 HydrophobicContact CE1-CE1 4.02Å; F178-Y220 HydrophobicContact CZ-CD1 4.24Å; F178-Y220 AromaticContact CZ-CE1 3.98Å; F178-Y220 HydrophobicContact CZ-CE1 3.98Å; A206-Y220 HydrophobicContact CB-CE1 4.04Å; A206-Y220 PolarHBondContact N-OH 3.46Å; A206-Y220 PolarHBondContact O-OH 3.3Å; I218-Y220 HydrophobicContact CB-CE2 3.84Å; I218-Y220 HydrophobicContact CG2-CD2 4.2Å; I218-Y220 HydrophobicContact CG2-CE1 4.26Å; I218-Y220 HydrophobicContact CG2-CE2 3.62Å; Y220-I241 HydrophobicContact CD2-CD1 3.89Å; Y220-L247 HydrophobicContact CD1-CD1 4.33Å; Y220-L247 HydrophobicContact CD1-CD2 3.54Å; Y220-L247 HydrophobicContact CD2-CD1 4.16Å; Y220-L247 HydrophobicContact CE1-CD2 3.69Å; Y220-L247 HydrophobicContact CG-CD1 3.9Å; Y220-L247 HydrophobicContact CG-CD2 3.98Å; Y220-L267 HydrophobicContact CD1-CD1 4.3Å; Y220-L267 HydrophobicContact CD1-CG 4.42Å; Y220-I268 WeakPolarHBondContact CA-O 3.43Å; Y220-C269 HydrophobicContact CD1-CB 4.3Å; Y220-C269 HydrophobicContact CE1-CB 4.08Å
221	Q	89	Confident	81.3	Confident	64 Å²	64	69.7 Å²	69.7	30%	0.299	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.5	179.9	-155.9	-153.1	-65	0	0	111.1	D223 I268	Q221-D223 PolarHBondContact NE2-OD2 2.92Å; Q221-I268 PolarHBondContact N-O 2.98Å; Q221-I268 PolarHBondContact O-N 2.9Å
222	L	89.5	Confident	81.1	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	142.5	160.9	-57.1	-178	0	0	0	109.8	M234 F237 L239 L249 F265 Y266 L267	L222-M234 HydrophobicContact CB-CE 3.8Å; L222-M234 WeakPolarHBondContact O-CE 3.47Å; L222-F237 HydrophobicContact CD1-CB 4.19Å; L222-L239 HydrophobicContact CD1-CG 4.21Å; L222-L239 HydrophobicContact CD2-CD1 3.79Å; L222-L239 HydrophobicContact CD2-CD2 4.05Å; L222-L239 HydrophobicContact CD2-CG 3.92Å; L222-L239 HydrophobicContact CG-CD1 3.74Å; L222-L239 HydrophobicContact CG-CD2 4.44Å; L222-L239 HydrophobicContact CG-CG 3.79Å; L222-L249 HydrophobicContact CD1-CD1 4.09Å; L222-L249 HydrophobicContact CD2-CD1 4.4Å; L222-F265 HydrophobicContact CD2-CD2 3.75Å; L222-F265 HydrophobicContact CD2-CE2 3.7Å; L222-Y266 WeakPolarHBondContact CA-O 3.44Å; L222-L267 HydrophobicContact CD2-CD1 4.01Å
223	D	84.1	Confident	81.1	Confident	38 Å²	38	67.4 Å²	67.4	20%	0.203	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	171.6	163.3	-144.1	-37.9	0	0	0	111.2	Q221 K230 F265 Y266 I268	Q221-D223 PolarHBondContact NE2-OD2 2.92Å; D223-K230 VanDerWaalsContact OD1-CE 3.23Å; D223-K230 WeakPolarHBondContact OD1-CE 3.28Å; D223-K230 IonicContact OD1-NZ 3.58Å; D223-K230 PolarHBondContact OD1-NZ 2.93Å; D223-K230 IonicContact OD2-NZ 3.23Å; D223-K230 PolarHBondContact OD2-NZ 2.94Å; D223-F265 CarbonylContact O-C 3.55Å; D223-F265 WeakPolarHBondContact O-CA 3.46Å; D223-F265 WeakPolarHBondContact O-CB 3.38Å; D223-Y266 PolarHBondContact N-O 2.84Å; D223-Y266 PolarHBondContact O-N 2.85Å; D223-I268 HydrophobicContact CB-CD1 3.76Å
224	T	80.4	Confident	81.2	Confident	16 Å²	16	67.7 Å²	67.7	10%	0.098	34%	0.336	C	S	.	.			trans	-148	148.4	171.8	178.8	0	0	0	0	110.5	V226 K230 I233 R264	T224-V226 VanDerWaalsContact CG2-O 3.3Å; T224-V226 WeakPolarHBondContact CG2-O 3.12Å; T224-V226 PolarHBondContact O-N 2.9Å; T224-V226 PolarHBondContact OG1-N 3.32Å; T224-K230 HydrophobicContact CG2-CB 3.61Å; T224-K230 HydrophobicContact CG2-CG 4.17Å; T224-I233 HydrophobicContact CG2-CD1 3.79Å; T224-R264 PolarHBondContact OG1-O 2.94Å
225	M	69.6	Low	81.3	Confident	137 Å²	137	66.9 Å²	66.9	68%	0.675	34%	0.337	S	S	*	.	S	Bend	trans	-70.4	-17.3	173.9	-67.9	178.7	-175.3	0	0	112.5	Y266	M225-Y266 HydrophobicContact CE-CE2 3.84Å; M225-Y266 HydrophobicContact CG-CE2 3.83Å; M225-Y266 HydrophobicContact SD-CE2 4.05Å
226	V	72.5	Confident	81.5	Confident	67 Å²	67	64.2 Å²	64.2	41%	0.406	33%	0.326	S	S	.	.			trans	-97.2	107	-178.3	-169.1	0	0	0	0	110.3	T224 K228 D229 K230	T224-V226 VanDerWaalsContact CG2-O 3.3Å; T224-V226 WeakPolarHBondContact CG2-O 3.12Å; T224-V226 PolarHBondContact O-N 2.9Å; T224-V226 PolarHBondContact OG1-N 3.32Å; V226-K228 VanDerWaalsContact C-N 3.26Å; V226-K228 HydrophobicContact CG1-CB 4.41Å; V226-K228 PolarHBondContact O-N 3.5Å; V226-D229 HydrophobicContact CB-CB 4.06Å; V226-D229 WeakPolarHBondContact CB-OD2 3.18Å; V226-D229 HydrophobicContact CG1-CB 4.22Å; V226-D229 WeakPolarHBondContact CG1-OD1 3.46Å; V226-D229 WeakPolarHBondContact CG1-OD2 3.27Å; V226-D229 PolarHBondContact O-N 2.86Å; V226-K230 PolarHBondContact O-N 2.88Å; V226-K230 VanDerWaalsContact O-N 3.08Å
227	T	69	Low	81.9	Confident	126 Å²	126	62.2 Å²	62.2	77%	0.773	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.5	-174.5	50.9	0	0	0	0	114.6
228	K	69.8	Low	82.2	Confident	180 Å²	180	60.8 Å²	60.8	78%	0.783	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-55.8	170.9	-69.6	-174.6	174.9	-174.3	0	110.5	V226 K230 L231	V226-K228 VanDerWaalsContact C-N 3.26Å; V226-K228 HydrophobicContact CG1-CB 4.41Å; V226-K228 PolarHBondContact O-N 3.5Å; K228-K230 PolarHBondContact O-N 2.79Å; K228-L231 PolarHBondContact O-N 3.49Å
229	D	72.8	Confident	82.5	Confident	44 Å²	44	61 Å²	61	24%	0.235	31%	0.313	C	S	.	.	H	α-helix	trans	-63.8	-26.1	-174.7	-47	3.3	0	0	0	111.4	V226 L231 L232 I233	V226-D229 HydrophobicContact CB-CB 4.06Å; V226-D229 WeakPolarHBondContact CB-OD2 3.18Å; V226-D229 HydrophobicContact CG1-CB 4.22Å; V226-D229 WeakPolarHBondContact CG1-OD1 3.46Å; V226-D229 WeakPolarHBondContact CG1-OD2 3.27Å; V226-D229 PolarHBondContact O-N 2.86Å; D229-L231 PolarHBondContact O-N 2.8Å; D229-L232 CarbonylContact O-C 3.51Å; D229-L232 PolarHBondContact O-N 3.45Å; D229-I233 HydrophobicContact CB-CD1 3.8Å; D229-I233 WeakPolarHBondContact O-CB 3.28Å; D229-I233 WeakPolarHBondContact O-CD1 3.16Å; D229-I233 WeakPolarHBondContact O-CG1 3.44Å; D229-I233 PolarHBondContact O-N 3.14Å
230	K	79.4	Confident	82.6	Confident	76 Å²	76	61.3 Å²	61.3	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-54.4	-36	177.9	-168.9	162.2	-176.7	162.1	0	113.5	D223 T224 V226 K228 M234	D223-K230 VanDerWaalsContact OD1-CE 3.23Å; D223-K230 WeakPolarHBondContact OD1-CE 3.28Å; D223-K230 IonicContact OD1-NZ 3.58Å; D223-K230 PolarHBondContact OD1-NZ 2.93Å; D223-K230 IonicContact OD2-NZ 3.23Å; D223-K230 PolarHBondContact OD2-NZ 2.94Å; T224-K230 HydrophobicContact CG2-CB 3.61Å; T224-K230 HydrophobicContact CG2-CG 4.17Å; V226-K230 PolarHBondContact O-N 2.88Å; V226-K230 VanDerWaalsContact O-N 3.08Å; K228-K230 PolarHBondContact O-N 2.79Å; K230-M234 VanDerWaalsContact O-CB 3.32Å; K230-M234 WeakPolarHBondContact O-CB 3.44Å; K230-M234 WeakPolarHBondContact O-CG 3.46Å; K230-M234 PolarHBondContact O-N 2.94Å
231	L	80	Confident	82.4	Confident	122 Å²	122	64.5 Å²	64.5	64%	0.639	33%	0.331	S	S	*	.	H	α-helix	trans	-72.4	-41.4	175	-179.2	61.4	0	0	0	111.5	K228 D229 N235	K228-L231 PolarHBondContact O-N 3.49Å; D229-L231 PolarHBondContact O-N 2.8Å; L231-N235 WeakPolarHBondContact O-CB 3.29Å; L231-N235 PolarHBondContact O-N 3.3Å; L231-N235 PolarHBondContact O-ND2 3.33Å
232	L	81.8	Confident	82.2	Confident	52 Å²	52	63.1 Å²	63.1	27%	0.272	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-51.7	179.8	-177.6	53.8	0	0	0	110.9	D229 M234 N235 T236 M260 Y263	D229-L232 CarbonylContact O-C 3.51Å; D229-L232 PolarHBondContact O-N 3.45Å; L232-M234 VanDerWaalsContact C-N 3.32Å; L232-M234 PolarHBondContact O-N 3.45Å; L232-N235 CarbonylContact O-C 3.55Å; L232-N235 WeakPolarHBondContact O-CA 3.32Å; L232-N235 WeakPolarHBondContact O-CB 3.42Å; L232-N235 PolarHBondContact O-N 2.94Å; L232-T236 PolarHBondContact O-N 2.87Å; L232-T236 PolarHBondContact O-OG1 2.98Å; L232-T236 VanDerWaalsContact O-OG1 3.05Å; L232-M260 HydrophobicContact CD2-CB 4.49Å; L232-M260 HydrophobicContact CD2-CE 4.42Å; L232-M260 HydrophobicContact CD2-SD 3.46Å; L232-M260 WeakPolarHBondContact CD2-SD 3.13Å; L232-M260 HydrophobicContact CG-SD 4.26Å; L232-Y263 HydrophobicContact CG-CE1 4.18Å
233	I	84.8	Confident	81.8	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-56.2	-42.4	177.2	-70.4	155.7	0	0	0	111.9	T224 D229 N235 T236 F237 Y263 R264 F265	T224-I233 HydrophobicContact CG2-CD1 3.79Å; D229-I233 HydrophobicContact CB-CD1 3.8Å; D229-I233 WeakPolarHBondContact O-CB 3.28Å; D229-I233 WeakPolarHBondContact O-CD1 3.16Å; D229-I233 WeakPolarHBondContact O-CG1 3.44Å; D229-I233 PolarHBondContact O-N 3.14Å; I233-N235 VanDerWaalsContact C-N 3.31Å; I233-N235 PolarHBondContact O-N 3.42Å; I233-T236 PolarHBondContact O-N 3.08Å; I233-F237 HydrophobicContact CG2-CD2 4.35Å; I233-F237 PolarHBondContact O-N 3.41Å; I233-Y263 HydrophobicContact CG1-CD1 4.2Å; I233-R264 WeakPolarHBondContact CD1-O 3.29Å; I233-F265 HydrophobicContact CD1-CB 4.25Å; I233-F265 HydrophobicContact CG2-CB 4.14Å; I233-F265 HydrophobicContact CG2-CD1 4.15Å; I233-F265 HydrophobicContact CG2-CG 4.26Å
234	M	83.8	Confident	81.7	Confident	66 Å²	66	73.8 Å²	73.8	33%	0.325	39%	0.385	S	S	.	.	H	α-helix	trans	-74.4	-19.7	178.1	-67.5	-71.8	173.8	0	0	113.6	L222 K230 L232 K252	L222-M234 HydrophobicContact CB-CE 3.8Å; L222-M234 WeakPolarHBondContact O-CE 3.47Å; K230-M234 VanDerWaalsContact O-CB 3.32Å; K230-M234 WeakPolarHBondContact O-CB 3.44Å; K230-M234 WeakPolarHBondContact O-CG 3.46Å; K230-M234 PolarHBondContact O-N 2.94Å; L232-M234 VanDerWaalsContact C-N 3.32Å; L232-M234 PolarHBondContact O-N 3.45Å; M234-K252 PolarHBondContact O-NZ 2.98Å
235	N	85.9	Confident	81.6	Confident	85 Å²	85	79.7 Å²	79.7	46%	0.455	41%	0.409	S	S	.	.	H	α-helix	trans	-85	-36.4	171.3	-73.5	-18.6	0	0	0	111.7	L231 L232 I233 K252	L231-N235 WeakPolarHBondContact O-CB 3.29Å; L231-N235 PolarHBondContact O-N 3.3Å; L231-N235 PolarHBondContact O-ND2 3.33Å; L232-N235 CarbonylContact O-C 3.55Å; L232-N235 WeakPolarHBondContact O-CA 3.32Å; L232-N235 WeakPolarHBondContact O-CB 3.42Å; L232-N235 PolarHBondContact O-N 2.94Å; I233-N235 VanDerWaalsContact C-N 3.31Å; I233-N235 PolarHBondContact O-N 3.42Å; N235-K252 WeakPolarHBondContact O-CB 3.49Å
236	T	87.6	Confident	82.5	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-78.3	-37.8	-179.7	-53.7	0	0	0	0	112.9	L232 I233 L251 K252 I253 L255 Y263	L232-T236 PolarHBondContact O-N 2.87Å; L232-T236 PolarHBondContact O-OG1 2.98Å; L232-T236 VanDerWaalsContact O-OG1 3.05Å; I233-T236 PolarHBondContact O-N 3.08Å; T236-L251 HydrophobicContact CG2-CD1 3.88Å; T236-K252 WeakPolarHBondContact O-CB 3.14Å; T236-K252 PolarHBondContact O-N 3.35Å; T236-I253 HydrophobicContact CG2-CD1 4.31Å; T236-I253 HydrophobicContact CG2-CG1 4.04Å; T236-I253 WeakPolarHBondContact OG1-CD1 3.11Å; T236-L255 HydrophobicContact CG2-CD2 4.11Å; T236-Y263 HydrophobicContact CG2-CE1 3.88Å
237	F	91.6	Very high	83.4	Confident	1 Å²	1	74.1 Å²	74.1	0%	0.004	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152	-173.7	-54.9	-69.7	0	0	0	114.1	L222 I233 L249 L250 L251 K252 L255 Y263 F265 I291	L222-F237 HydrophobicContact CD1-CB 4.19Å; I233-F237 HydrophobicContact CG2-CD2 4.35Å; I233-F237 PolarHBondContact O-N 3.41Å; F237-L249 HydrophobicContact CB-CD1 3.87Å; F237-L249 HydrophobicContact CB-CG 4.16Å; F237-L249 HydrophobicContact CD1-CD1 4.42Å; F237-L249 HydrophobicContact CD1-CD2 3.55Å; F237-L249 HydrophobicContact CD1-CG 3.85Å; F237-L249 HydrophobicContact CE1-CD2 3.91Å; F237-L249 HydrophobicContact CG-CD1 4.29Å; F237-L249 HydrophobicContact CG-CD2 4.06Å; F237-L249 HydrophobicContact CG-CG 4.22Å; F237-L250 CarbonylContact C-O 3.51Å; F237-L250 VanDerWaalsContact CA-O 3.29Å; F237-L250 WeakPolarHBondContact CA-O 3.17Å; F237-L251 HydrophobicContact CD1-CD1 4.17Å; F237-L251 HydrophobicContact CE1-CD1 3.84Å; F237-K252 WeakPolarHBondContact O-CD 3.42Å; F237-L255 HydrophobicContact CZ-CD2 4.39Å; F237-Y263 AromaticContact CE2-CD1 3.57Å; F237-Y263 HydrophobicContact CE2-CD1 3.57Å; F237-Y263 HydrophobicContact CE2-CD2 4.34Å; F237-Y263 HydrophobicContact CE2-CE1 4.11Å; F237-Y263 AromaticContact CE2-CG 3.69Å; F237-Y263 HydrophobicContact CE2-CG 3.69Å; F237-Y263 HydrophobicContact CZ-CD1 4.26Å; F237-Y263 HydrophobicContact CZ-CD2 4.28Å; F237-Y263 HydrophobicContact CZ-CG 4.06Å; F237-F265 HydrophobicContact CD2-CE1 4.12Å; F237-F265 HydrophobicContact CE2-CE1 4.03Å; F237-I291 HydrophobicContact CE1-CD1 3.85Å; F237-I291 HydrophobicContact CE2-CD1 4.29Å; F237-I291 HydrophobicContact CZ-CD1 3.66Å
238	D	90.9	Very high	84.6	Confident	67 Å²	67	68.6 Å²	68.6	36%	0.358	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.4	166.8	-121.2	-58.3	0	0	0	110.9	L249 L250 K252	D238-L249 CarbonylContact O-C 3.31Å; D238-L249 WeakPolarHBondContact O-CA 3.46Å; D238-L250 HydrophobicContact CB-CB 3.97Å; D238-L250 HydrophobicContact CB-CD2 4.12Å; D238-L250 HydrophobicContact CB-CG 4.41Å; D238-L250 PolarHBondContact N-O 2.84Å; D238-L250 PolarHBondContact O-N 3.3Å; D238-K252 HydrophobicContact CB-CD 3.82Å; D238-K252 HydrophobicContact CB-CG 4.22Å; D238-K252 WeakPolarHBondContact OD2-CD 3.16Å; D238-K252 VanDerWaalsContact OD2-CE 3.3Å; D238-K252 WeakPolarHBondContact OD2-CE 3.42Å; D238-K252 IonicContact OD2-NZ 3.76Å; D238-K252 PolarHBondContact OD2-NZ 3.2Å
239	L	91.9	Very high	85.7	Confident	34 Å²	34	60 Å²	60	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.8	170.1	-75.8	177.5	0	0	0	110.8	L203 L222 L247 L249 L267	L203-L239 HydrophobicContact CD1-CD2 3.72Å; L222-L239 HydrophobicContact CD1-CG 4.21Å; L222-L239 HydrophobicContact CD2-CD1 3.79Å; L222-L239 HydrophobicContact CD2-CD2 4.05Å; L222-L239 HydrophobicContact CD2-CG 3.92Å; L222-L239 HydrophobicContact CG-CD1 3.74Å; L222-L239 HydrophobicContact CG-CD2 4.44Å; L222-L239 HydrophobicContact CG-CG 3.79Å; L239-L247 HydrophobicContact CD2-CD1 4.19Å; L239-L249 HydrophobicContact CD2-CD1 3.99Å; L239-L267 HydrophobicContact CD1-CD1 3.84Å; L239-L267 HydrophobicContact CD2-CD1 4.15Å
240	L	90.5	Very high	86.6	Confident	74 Å²	74	60 Å²	60	39%	0.387	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123	173.5	-64.3	178.1	0	0	0	109.9	L200 L248 L250	L200-L240 HydrophobicContact CD2-CD1 3.78Å; L240-L248 HydrophobicContact CB-CB 4.45Å; L240-L248 PolarHBondContact N-O 2.72Å; L240-L248 PolarHBondContact O-N 2.73Å; L240-L250 HydrophobicContact CD1-CB 4.05Å; L240-L250 HydrophobicContact CD1-CD2 4.2Å; L240-L250 HydrophobicContact CG-CB 4.31Å
241	I	86.5	Confident	87.2	Confident	95 Å²	95	56.4 Å²	56.4	49%	0.487	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.5	167.9	-56.3	174.8	0	0	0	107.5	Y220 R246 L247	Y220-I241 HydrophobicContact CD2-CD1 3.89Å; I241-R246 WeakPolarHBondContact CA-O 3.47Å; I241-L247 HydrophobicContact CG1-CD1 3.84Å
242	T	83.4	Confident	87.7	Confident	35 Å²	35	53.4 Å²	53.4	22%	0.215	27%	0.268	C	S	.	.			trans	-87.2	163.9	-178.3	67.5	0	0	0	0	112.3	D244 K245 R246 L248	T242-D244 WeakPolarHBondContact CB-OD1 3.49Å; T242-D244 PolarHBondContact O-N 2.78Å; T242-D244 PolarHBondContact OG1-OD1 2.99Å; T242-K245 VanDerWaalsContact O-CA 3.28Å; T242-K245 WeakPolarHBondContact O-CA 3.36Å; T242-K245 PolarHBondContact O-N 2.92Å; T242-R246 PolarHBondContact N-O 3.03Å; T242-R246 WeakPolarHBondContact OG1-CB 3.48Å; T242-R246 PolarHBondContact OG1-N 3.41Å; T242-R246 PolarHBondContact OG1-O 2.98Å; T242-L248 HydrophobicContact CG2-CD1 3.59Å; T242-L248 HydrophobicContact CG2-CG 4.14Å
243	N	81.3	Confident	88	Confident	176 Å²	176	53.8 Å²	53.8	94%	0.941	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.4	178.1	-65	-4.9	0	0	0	113.3	K245	N243-K245 PolarHBondContact O-N 3.17Å
244	D	81.3	Confident	88.1	Confident	94 Å²	94	57.5 Å²	57.5	50%	0.503	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	22.5	170.1	56.5	-37.4	0	0	0	113.1	T242 R246	T242-D244 WeakPolarHBondContact CB-OD1 3.49Å; T242-D244 PolarHBondContact O-N 2.78Å; T242-D244 PolarHBondContact OG1-OD1 2.99Å; D244-R246 PolarHBondContact O-N 3.27Å; D244-R246 VanDerWaalsContact O-N 3.14Å; D244-R246 IonicContact OD1-NE 3.54Å; D244-R246 IonicContact OD1-NH2 2.77Å; D244-R246 IonicContact OD2-CZ 2.74Å; D244-R246 VanDerWaalsContact OD2-CZ 3.27Å; D244-R246 IonicContact OD2-NE 3.74Å; D244-R246 PolarHBondContact OD2-NE 2.84Å; D244-R246 IonicContact OD2-NH2 3.72Å; D244-R246 PolarHBondContact OD2-NH2 2.8Å
245	K	79.6	Confident	88.5	Confident	140 Å²	140	54.7 Å²	54.7	61%	0.609	28%	0.275	S	S	*	.			trans	52.2	26.4	-179.6	-62.1	-164.6	173.7	-161.6	0	114.5	K205 T242 N243	K205-K245 WeakPolarHBondContact CE-O 3.43Å; K205-K245 PolarHBondContact NZ-O 3.16Å; T242-K245 VanDerWaalsContact O-CA 3.28Å; T242-K245 WeakPolarHBondContact O-CA 3.36Å; T242-K245 PolarHBondContact O-N 2.92Å; N243-K245 PolarHBondContact O-N 3.17Å
246	R	87.4	Confident	88.6	Confident	84 Å²	84	53.9 Å²	53.9	32%	0.317	27%	0.271	S	S	.	.			trans	-81.8	141.3	173	-72.9	-175	-71.8	127.8	9.9	110.3	E202 I241 T242 D244 L248	E202-R246 WeakPolarHBondContact OE1-CD 3.16Å; E202-R246 WeakPolarHBondContact OE1-CG 3.27Å; E202-R246 WeakPolarHBondContact OE2-CD 3.2Å; E202-R246 IonicContact OE2-NH1 2.6Å; I241-R246 WeakPolarHBondContact CA-O 3.47Å; T242-R246 PolarHBondContact N-O 3.03Å; T242-R246 WeakPolarHBondContact OG1-CB 3.48Å; T242-R246 PolarHBondContact OG1-N 3.41Å; T242-R246 PolarHBondContact OG1-O 2.98Å; D244-R246 PolarHBondContact O-N 3.27Å; D244-R246 VanDerWaalsContact O-N 3.14Å; D244-R246 IonicContact OD1-NE 3.54Å; D244-R246 IonicContact OD1-NH2 2.77Å; D244-R246 IonicContact OD2-CZ 2.74Å; D244-R246 VanDerWaalsContact OD2-CZ 3.27Å; D244-R246 IonicContact OD2-NE 3.74Å; D244-R246 PolarHBondContact OD2-NE 2.84Å; D244-R246 IonicContact OD2-NH2 3.72Å; D244-R246 PolarHBondContact OD2-NH2 2.8Å; R246-L248 HydrophobicContact CB-CD2 4.28Å
247	L	92.5	Very high	88.7	Confident	3 Å²	3	56 Å²	56	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.2	178	-177.9	68.3	0	0	0	107.5	L203 K205 Y220 L239 I241 L267	L203-L247 HydrophobicContact CB-CB 4.47Å; L203-L247 HydrophobicContact CB-CD2 4.02Å; L203-L247 HydrophobicContact CB-CG 4.08Å; L203-L247 HydrophobicContact CD1-CD2 4.4Å; L203-L247 HydrophobicContact CD1-CG 4.38Å; L203-L247 PolarHBondContact N-O 2.85Å; K205-L247 HydrophobicContact CG-CB 4.22Å; Y220-L247 HydrophobicContact CD1-CD1 4.33Å; Y220-L247 HydrophobicContact CD1-CD2 3.54Å; Y220-L247 HydrophobicContact CD2-CD1 4.16Å; Y220-L247 HydrophobicContact CE1-CD2 3.69Å; Y220-L247 HydrophobicContact CG-CD1 3.9Å; Y220-L247 HydrophobicContact CG-CD2 3.98Å; L239-L247 HydrophobicContact CD2-CD1 4.19Å; I241-L247 HydrophobicContact CG1-CD1 3.84Å; L247-L267 HydrophobicContact CD2-CD1 4.27Å; L247-L267 HydrophobicContact CD2-CD2 3.85Å
248	L	93	Very high	88.5	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135	-175.4	-52.3	-179.8	0	0	0	109.8	L200 I201 E202 L240 T242 R246	L200-L248 HydrophobicContact CB-CD1 4.29Å; L200-L248 HydrophobicContact CD1-CD1 4.02Å; L200-L248 HydrophobicContact CD2-CB 4.48Å; I201-L248 CarbonylContact O-C 3.46Å; I201-L248 WeakPolarHBondContact O-CA 3.46Å; E202-L248 HydrophobicContact CB-CD2 3.77Å; E202-L248 HydrophobicContact CG-CD2 3.92Å; L240-L248 HydrophobicContact CB-CB 4.45Å; L240-L248 PolarHBondContact N-O 2.72Å; L240-L248 PolarHBondContact O-N 2.73Å; T242-L248 HydrophobicContact CG2-CD1 3.59Å; T242-L248 HydrophobicContact CG2-CG 4.14Å; R246-L248 HydrophobicContact CB-CD2 4.28Å
249	L	92.9	Very high	88.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.4	164.5	-161.1	72.7	0	0	0	108.2	L200 I201 L203 L222 F237 D238 L239 F265 I291	L200-L249 WeakPolarHBondContact CA-O 3.48Å; I201-L249 HydrophobicContact CB-CB 4.35Å; I201-L249 PolarHBondContact N-O 2.69Å; I201-L249 PolarHBondContact O-N 3.27Å; L203-L249 HydrophobicContact CD1-CB 4.05Å; L203-L249 HydrophobicContact CD1-CD1 4.25Å; L203-L249 HydrophobicContact CD2-CB 4.09Å; L203-L249 HydrophobicContact CG-CB 4.06Å; L222-L249 HydrophobicContact CD1-CD1 4.09Å; L222-L249 HydrophobicContact CD2-CD1 4.4Å; F237-L249 HydrophobicContact CB-CD1 3.87Å; F237-L249 HydrophobicContact CB-CG 4.16Å; F237-L249 HydrophobicContact CD1-CD1 4.42Å; F237-L249 HydrophobicContact CD1-CD2 3.55Å; F237-L249 HydrophobicContact CD1-CG 3.85Å; F237-L249 HydrophobicContact CE1-CD2 3.91Å; F237-L249 HydrophobicContact CG-CD1 4.29Å; F237-L249 HydrophobicContact CG-CD2 4.06Å; F237-L249 HydrophobicContact CG-CG 4.22Å; D238-L249 CarbonylContact O-C 3.31Å; D238-L249 WeakPolarHBondContact O-CA 3.46Å; L239-L249 HydrophobicContact CD2-CD1 3.99Å; L249-F265 HydrophobicContact CD1-CZ 4.36Å; L249-F265 HydrophobicContact CD2-CZ 4.04Å; L249-I291 HydrophobicContact CD2-CD1 3.6Å
250	L	92.4	Very high	88	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.225	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.4	171.1	171	65.4	0	0	0	109.4	L200 F237 D238 L240 K252	L200-L250 HydrophobicContact CD2-CB 4.06Å; L200-L250 HydrophobicContact CD2-CD1 3.82Å; F237-L250 CarbonylContact C-O 3.51Å; F237-L250 VanDerWaalsContact CA-O 3.29Å; F237-L250 WeakPolarHBondContact CA-O 3.17Å; D238-L250 HydrophobicContact CB-CB 3.97Å; D238-L250 HydrophobicContact CB-CD2 4.12Å; D238-L250 HydrophobicContact CB-CG 4.41Å; D238-L250 PolarHBondContact N-O 2.84Å; D238-L250 PolarHBondContact O-N 3.3Å; L240-L250 HydrophobicContact CD1-CB 4.05Å; L240-L250 HydrophobicContact CD1-CD2 4.2Å; L240-L250 HydrophobicContact CG-CB 4.31Å; L250-K252 HydrophobicContact CD2-CG 4.48Å; L250-K252 HydrophobicContact CG-CG 4.44Å
251	L	92	Very high	87.9	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.4	170.4	-177	60.8	0	0	0	110.5	Y195 G198 K199 T236 F237 I253 L255	Y195-L251 WeakPolarHBondContact O-CD2 3.15Å; G198-L251 PolarHBondContact N-O 2.72Å; K199-L251 HydrophobicContact CB-CB 4.24Å; K199-L251 HydrophobicContact CB-CD2 4.37Å; K199-L251 PolarHBondContact O-N 2.75Å; T236-L251 HydrophobicContact CG2-CD1 3.88Å; F237-L251 HydrophobicContact CD1-CD1 4.17Å; F237-L251 HydrophobicContact CE1-CD1 3.84Å; L251-I253 WeakPolarHBondContact CD1-O 3.35Å; L251-I253 WeakPolarHBondContact CG-O 3.34Å; L251-L255 HydrophobicContact CD1-CD2 3.84Å; L251-L255 HydrophobicContact CD1-CG 3.96Å; L251-L255 HydrophobicContact CD2-CD1 4.27Å; L251-L255 HydrophobicContact CD2-CG 3.95Å
252	K	90.4	Very high	88.1	Confident	60 Å²	60	59.3 Å²	59.3	26%	0.261	29%	0.294	S	S	.	.			trans	-101.8	-21.3	-169.4	-67.3	163.6	73.6	155.9	0	114.8	K197 M234 N235 T236 F237 D238 L250	K197-K252 VanDerWaalsContact CD-O 3.23Å; K197-K252 WeakPolarHBondContact CD-O 3.44Å; K197-K252 WeakPolarHBondContact CE-O 3.49Å; K197-K252 WeakPolarHBondContact CG-O 3.49Å; K197-K252 PolarHBondContact NZ-O 3.09Å; M234-K252 PolarHBondContact O-NZ 2.98Å; N235-K252 WeakPolarHBondContact O-CB 3.49Å; T236-K252 WeakPolarHBondContact O-CB 3.14Å; T236-K252 PolarHBondContact O-N 3.35Å; F237-K252 WeakPolarHBondContact O-CD 3.42Å; D238-K252 HydrophobicContact CB-CD 3.82Å; D238-K252 HydrophobicContact CB-CG 4.22Å; D238-K252 WeakPolarHBondContact OD2-CD 3.16Å; D238-K252 VanDerWaalsContact OD2-CE 3.3Å; D238-K252 WeakPolarHBondContact OD2-CE 3.42Å; D238-K252 IonicContact OD2-NZ 3.76Å; D238-K252 PolarHBondContact OD2-NZ 3.2Å; L250-K252 HydrophobicContact CD2-CG 4.48Å; L250-K252 HydrophobicContact CG-CG 4.44Å
253	I	87.9	Confident	88.5	Confident	60 Å²	60	57.7 Å²	57.7	31%	0.308	28%	0.284	S	S	.	.	S	Bend	trans	-132.6	158.2	170.6	68.4	-174.5	0	0	0	107	T236 L251	T236-I253 HydrophobicContact CG2-CD1 4.31Å; T236-I253 HydrophobicContact CG2-CG1 4.04Å; T236-I253 WeakPolarHBondContact OG1-CD1 3.11Å; L251-I253 WeakPolarHBondContact CD1-O 3.35Å; L251-I253 WeakPolarHBondContact CG-O 3.34Å
254	D	88.2	Confident	88.9	Confident	79 Å²	79	54.2 Å²	54.2	42%	0.422	26%	0.257	S	S	.	.			trans	-64.8	151	174.5	-54.5	-78.2	0	0	0	110.5	H196 K197	H196-D254 WeakPolarHBondContact CA-OD1 3.42Å; H196-D254 WeakPolarHBondContact CB-OD1 3.43Å; H196-D254 IonicContact CG-OD1 2.92Å; H196-D254 IonicContact ND1-OD1 3.27Å; H196-D254 PolarHBondContact ND1-OD1 3.24Å; K197-D254 PolarHBondContact N-OD1 2.75Å
255	L	90.5	Very high	89.3	Confident	8 Å²	8	49.7 Å²	49.7	4%	0.042	23%	0.233	C	C	.	.			trans	-81.2	148.5	174.6	-67.5	174.7	0	0	0	110.5	L190 E192 T236 F237 L251 Y263	L190-L255 HydrophobicContact CB-CD1 3.75Å; L190-L255 HydrophobicContact CD1-CD1 3.64Å; L190-L255 HydrophobicContact CG-CD1 4.36Å; E192-L255 HydrophobicContact CB-CB 4.42Å; E192-L255 WeakPolarHBondContact CB-O 3.05Å; T236-L255 HydrophobicContact CG2-CD2 4.11Å; F237-L255 HydrophobicContact CZ-CD2 4.39Å; L251-L255 HydrophobicContact CD1-CD2 3.84Å; L251-L255 HydrophobicContact CD1-CG 3.96Å; L251-L255 HydrophobicContact CD2-CD1 4.27Å; L251-L255 HydrophobicContact CD2-CG 3.95Å; L255-Y263 HydrophobicContact CD2-CE2 3.95Å
256	D	88.5	Confident	89.8	Confident	67 Å²	67	45 Å²	45	36%	0.358	21%	0.212	S	C	.	.			trans	-153.7	117.6	-167.2	165.9	-18.8	0	0	0	105.4	E258 L259 M260	D256-E258 PolarHBondContact OD1-N 2.81Å; D256-L259 HydrophobicContact CB-CB 4.21Å; D256-L259 WeakPolarHBondContact OD1-CB 3.35Å; D256-L259 PolarHBondContact OD1-N 2.59Å; D256-L259 WeakPolarHBondContact OD2-CB 3.29Å; D256-M260 PolarHBondContact O-N 3.37Å
257	Y	90.8	Very high	90.1	Very high	45 Å²	45	41 Å²	41	18%	0.176	20%	0.197	C	C	.	.	H	α-helix	trans	-80	-44	-171.7	179.2	-75.2	0	0	0	111.2	E192 L259 M260 N261 V293 N295 V332	E192-Y257 WeakPolarHBondContact OE1-CB 3.36Å; E192-Y257 WeakPolarHBondContact OE2-CA 3.38Å; E192-Y257 WeakPolarHBondContact OE2-CB 3.28Å; E192-Y257 PolarHBondContact OE2-N 2.56Å; Y257-L259 PolarHBondContact O-N 3.34Å; Y257-M260 CarbonylContact O-C 3.54Å; Y257-M260 PolarHBondContact O-N 2.61Å; Y257-N261 HydrophobicContact CD1-CB 3.88Å; Y257-N261 HydrophobicContact CD2-CB 3.66Å; Y257-N261 HydrophobicContact CE1-CB 3.6Å; Y257-N261 HydrophobicContact CE2-CB 3.42Å; Y257-N261 VanDerWaalsContact CE2-CB 3.42Å; Y257-N261 HydrophobicContact CG-CB 3.88Å; Y257-N261 PolarHBondContact O-N 2.68Å; Y257-V293 HydrophobicContact CD2-CB 4.11Å; Y257-V293 HydrophobicContact CD2-CG1 4.15Å; Y257-V293 WeakPolarHBondContact CD2-O 3.42Å; Y257-V293 WeakPolarHBondContact CE2-O 3.35Å; Y257-N295 WeakPolarHBondContact CD1-OD1 3.23Å; Y257-N295 HydrophobicContact CD2-CB 4.33Å; Y257-N295 WeakPolarHBondContact CE1-OD1 3.09Å; Y257-N295 HydrophobicContact CE2-CB 4.44Å; Y257-N295 HydrophobicContact CG-CB 4.48Å; Y257-V332 HydrophobicContact CD1-CG2 4.34Å; Y257-V332 HydrophobicContact CE1-CB 4.43Å; Y257-V332 HydrophobicContact CE1-CG2 3.47Å; Y257-V332 VanDerWaalsContact CE1-CG2 3.47Å
258	E	87.2	Confident	90	Very high	57 Å²	57	42.1 Å²	42.1	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-61.3	-35.3	-179.2	-73.6	58.2	-127.7	0	0	110.6	D256 N295 E330	D256-E258 PolarHBondContact OD1-N 2.81Å; E258-N295 PolarHBondContact OE1-ND2 2.93Å; E258-E330 HydrophobicContact CG-CB 3.99Å; E258-E330 WeakPolarHBondContact CG-O 3.12Å
259	L	85.9	Confident	89.8	Confident	110 Å²	110	41.6 Å²	41.6	58%	0.576	20%	0.2	S	C	*	.	H	α-helix	trans	-74.6	-47	170.3	-175.6	65.1	0	0	0	113.3	D256 Y257	D256-L259 HydrophobicContact CB-CB 4.21Å; D256-L259 WeakPolarHBondContact OD1-CB 3.35Å; D256-L259 PolarHBondContact OD1-N 2.59Å; D256-L259 WeakPolarHBondContact OD2-CB 3.29Å; Y257-L259 PolarHBondContact O-N 3.34Å
260	M	85.7	Confident	89.5	Confident	33 Å²	33	44 Å²	44	16%	0.163	21%	0.211	C	C	.	.	H	α-helix	trans	-158.3	90.3	177.2	-161.5	179.8	-155.8	0	0	115.4	L232 D256 Y257 Q262 Y263 V293	L232-M260 HydrophobicContact CD2-CB 4.49Å; L232-M260 HydrophobicContact CD2-CE 4.42Å; L232-M260 HydrophobicContact CD2-SD 3.46Å; L232-M260 WeakPolarHBondContact CD2-SD 3.13Å; L232-M260 HydrophobicContact CG-SD 4.26Å; D256-M260 PolarHBondContact O-N 3.37Å; Y257-M260 CarbonylContact O-C 3.54Å; Y257-M260 PolarHBondContact O-N 2.61Å; M260-Q262 VanDerWaalsContact C-N 3.3Å; M260-Q262 WeakPolarHBondContact CE-O 3.33Å; M260-Q262 PolarHBondContact O-N 3.32Å; M260-Q262 VanDerWaalsContact O-N 3.16Å; M260-Y263 HydrophobicContact CB-CE1 4.41Å; M260-Y263 HydrophobicContact CB-CE2 4.01Å; M260-Y263 HydrophobicContact CG-CD2 4.5Å; M260-Y263 HydrophobicContact CG-CE1 4.39Å; M260-Y263 HydrophobicContact CG-CE2 4.26Å; M260-Y263 VanDerWaalsContact O-CE2 3.3Å; M260-Y263 WeakPolarHBondContact O-CE2 3.42Å; M260-Y263 HydrophobicContact SD-CD1 3.51Å; M260-Y263 VanDerWaalsContact SD-CD1 3.51Å; M260-Y263 HydrophobicContact SD-CD2 4.38Å; M260-Y263 HydrophobicContact SD-CE1 3.49Å; M260-Y263 WeakPolarHBondContact SD-CE1 3.19Å; M260-Y263 HydrophobicContact SD-CE2 4.33Å; M260-Y263 HydrophobicContact SD-CG 3.99Å; M260-V293 WeakPolarHBondContact O-CG2 3.38Å
261	N	89.2	Confident	88.9	Confident	83 Å²	83	42.8 Å²	42.8	44%	0.444	21%	0.206	S	C	.	.	S	Bend	trans	-63	-16.9	178.8	64.4	21.7	0	0	0	117.7	Y257 V293	Y257-N261 HydrophobicContact CD1-CB 3.88Å; Y257-N261 HydrophobicContact CD2-CB 3.66Å; Y257-N261 HydrophobicContact CE1-CB 3.6Å; Y257-N261 HydrophobicContact CE2-CB 3.42Å; Y257-N261 VanDerWaalsContact CE2-CB 3.42Å; Y257-N261 HydrophobicContact CG-CB 3.88Å; Y257-N261 PolarHBondContact O-N 2.68Å; N261-V293 PolarHBondContact O-N 2.94Å
262	Q	90.9	Very high	87.9	Confident	58 Å²	58	46.1 Å²	46.1	27%	0.271	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	122.8	174.2	-178.6	178	105.4	0	0	111.9	M260 I290 I291 D292	M260-Q262 VanDerWaalsContact C-N 3.3Å; M260-Q262 WeakPolarHBondContact CE-O 3.33Å; M260-Q262 PolarHBondContact O-N 3.32Å; M260-Q262 VanDerWaalsContact O-N 3.16Å; Q262-I290 HydrophobicContact CG-CG2 3.79Å; Q262-I291 WeakPolarHBondContact CA-O 3.35Å; Q262-D292 PolarHBondContact NE2-OD1 3.48Å
263	Y	90.3	Very high	86.6	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.8	169.5	-64.3	-100.9	0	0	0	110.1	L232 I233 T236 F237 L255 M260 I291 V293	L232-Y263 HydrophobicContact CG-CE1 4.18Å; I233-Y263 HydrophobicContact CG1-CD1 4.2Å; T236-Y263 HydrophobicContact CG2-CE1 3.88Å; F237-Y263 AromaticContact CE2-CD1 3.57Å; F237-Y263 HydrophobicContact CE2-CD1 3.57Å; F237-Y263 HydrophobicContact CE2-CD2 4.34Å; F237-Y263 HydrophobicContact CE2-CE1 4.11Å; F237-Y263 AromaticContact CE2-CG 3.69Å; F237-Y263 HydrophobicContact CE2-CG 3.69Å; F237-Y263 HydrophobicContact CZ-CD1 4.26Å; F237-Y263 HydrophobicContact CZ-CD2 4.28Å; F237-Y263 HydrophobicContact CZ-CG 4.06Å; L255-Y263 HydrophobicContact CD2-CE2 3.95Å; M260-Y263 HydrophobicContact CB-CE1 4.41Å; M260-Y263 HydrophobicContact CB-CE2 4.01Å; M260-Y263 HydrophobicContact CG-CD2 4.5Å; M260-Y263 HydrophobicContact CG-CE1 4.39Å; M260-Y263 HydrophobicContact CG-CE2 4.26Å; M260-Y263 VanDerWaalsContact O-CE2 3.3Å; M260-Y263 WeakPolarHBondContact O-CE2 3.42Å; M260-Y263 HydrophobicContact SD-CD1 3.51Å; M260-Y263 VanDerWaalsContact SD-CD1 3.51Å; M260-Y263 HydrophobicContact SD-CD2 4.38Å; M260-Y263 HydrophobicContact SD-CE1 3.49Å; M260-Y263 WeakPolarHBondContact SD-CE1 3.19Å; M260-Y263 HydrophobicContact SD-CE2 4.33Å; M260-Y263 HydrophobicContact SD-CG 3.99Å; Y263-I291 PolarHBondContact N-O 3.02Å; Y263-I291 PolarHBondContact O-N 2.92Å; Y263-V293 HydrophobicContact CD2-CG2 4.06Å; Y263-V293 HydrophobicContact CE2-CG2 3.98Å
264	R	90.4	Very high	85.1	Confident	102 Å²	102	47.8 Å²	47.8	39%	0.385	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.3	176.4	-173.7	-179.4	-57.5	-127.6	4.7	111.3	T224 I233 E288 M289 I290	T224-R264 PolarHBondContact OG1-O 2.94Å; I233-R264 WeakPolarHBondContact CD1-O 3.29Å; R264-E288 WeakPolarHBondContact CD-OE1 3.28Å; R264-E288 IonicContact CZ-OE1 2.76Å; R264-E288 IonicContact NE-OE1 2.69Å; R264-E288 IonicContact NH1-OE1 3.52Å; R264-E288 PolarHBondContact NH1-OE1 2.74Å; R264-M289 WeakPolarHBondContact CA-O 3.23Å; R264-I290 HydrophobicContact CG-CG1 4.19Å
265	F	90.4	Very high	83.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	171.1	179.3	52.5	-91.8	0	0	0	110.7	L222 D223 I233 F237 L249 M289 I291	L222-F265 HydrophobicContact CD2-CD2 3.75Å; L222-F265 HydrophobicContact CD2-CE2 3.7Å; D223-F265 CarbonylContact O-C 3.55Å; D223-F265 WeakPolarHBondContact O-CA 3.46Å; D223-F265 WeakPolarHBondContact O-CB 3.38Å; I233-F265 HydrophobicContact CD1-CB 4.25Å; I233-F265 HydrophobicContact CG2-CB 4.14Å; I233-F265 HydrophobicContact CG2-CD1 4.15Å; I233-F265 HydrophobicContact CG2-CG 4.26Å; F237-F265 HydrophobicContact CD2-CE1 4.12Å; F237-F265 HydrophobicContact CE2-CE1 4.03Å; L249-F265 HydrophobicContact CD1-CZ 4.36Å; L249-F265 HydrophobicContact CD2-CZ 4.04Å; F265-M289 HydrophobicContact CD2-CB 3.58Å; F265-M289 HydrophobicContact CD2-CG 3.93Å; F265-M289 HydrophobicContact CE1-CB 4.42Å; F265-M289 HydrophobicContact CE2-CB 3.44Å; F265-M289 VanDerWaalsContact CE2-CB 3.44Å; F265-M289 HydrophobicContact CE2-CE 4.43Å; F265-M289 HydrophobicContact CE2-CG 3.65Å; F265-M289 HydrophobicContact CG-CB 4.15Å; F265-M289 HydrophobicContact CZ-CB 3.9Å; F265-M289 HydrophobicContact CZ-CG 4.44Å; F265-M289 PolarHBondContact N-O 2.96Å; F265-M289 VanDerWaalsContact N-O 3.1Å; F265-M289 WeakPolarHBondContact O-CA 3.38Å; F265-M289 WeakPolarHBondContact O-CB 3.16Å; F265-M289 PolarHBondContact O-N 2.97Å; F265-M289 VanDerWaalsContact O-O 3.14Å; F265-I291 HydrophobicContact CE1-CD1 3.88Å; F265-I291 HydrophobicContact CE1-CG1 4.26Å; F265-I291 HydrophobicContact CZ-CD1 3.89Å; F265-I291 HydrophobicContact CZ-CG1 4.4Å
266	Y	90.5	Very high	81.1	Confident	40 Å²	40	56.8 Å²	56.8	16%	0.157	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130	171.9	-64.7	-85.8	0	0	0	108.8	L222 D223 M225 Q286 L287 E288	L222-Y266 WeakPolarHBondContact CA-O 3.44Å; D223-Y266 PolarHBondContact N-O 2.84Å; D223-Y266 PolarHBondContact O-N 2.85Å; M225-Y266 HydrophobicContact CE-CE2 3.84Å; M225-Y266 HydrophobicContact CG-CE2 3.83Å; M225-Y266 HydrophobicContact SD-CE2 4.05Å; Y266-Q286 HydrophobicContact CD1-CB 4.23Å; Y266-Q286 HydrophobicContact CD1-CG 4.33Å; Y266-L287 WeakPolarHBondContact CA-O 3.47Å; Y266-E288 HydrophobicContact CD1-CB 4.09Å; Y266-E288 HydrophobicContact CE1-CB 3.73Å; Y266-E288 HydrophobicContact CE1-CG 3.99Å
267	L	92.5	Very high	78.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	112.1	162.3	-179.9	70.5	0	0	0	106.9	F178 L203 Y220 L222 L239 L247 Q286 L287 M289	F178-L267 HydrophobicContact CE1-CD2 3.62Å; F178-L267 HydrophobicContact CE1-CG 4.18Å; F178-L267 VanDerWaalsContact CE2-O 3.24Å; F178-L267 WeakPolarHBondContact CE2-O 3.23Å; F178-L267 HydrophobicContact CZ-CB 4.41Å; F178-L267 HydrophobicContact CZ-CD2 3.74Å; F178-L267 HydrophobicContact CZ-CG 3.75Å; L203-L267 HydrophobicContact CD1-CD1 4.36Å; L203-L267 HydrophobicContact CD1-CD2 4.2Å; Y220-L267 HydrophobicContact CD1-CD1 4.3Å; Y220-L267 HydrophobicContact CD1-CG 4.42Å; L222-L267 HydrophobicContact CD2-CD1 4.01Å; L239-L267 HydrophobicContact CD1-CD1 3.84Å; L239-L267 HydrophobicContact CD2-CD1 4.15Å; L247-L267 HydrophobicContact CD2-CD1 4.27Å; L247-L267 HydrophobicContact CD2-CD2 3.85Å; L267-Q286 WeakPolarHBondContact O-CA 3.3Å; L267-L287 HydrophobicContact CB-CB 4.43Å; L267-L287 PolarHBondContact N-O 3.18Å; L267-L287 PolarHBondContact O-N 2.87Å; L267-M289 HydrophobicContact CB-CG 3.86Å; L267-M289 HydrophobicContact CB-SD 4.48Å
268	I	90.4	Very high	76.2	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.138	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133	-177.4	-55	176.8	0	0	0	108.3	Y220 Q221 D223 K270 N284 Q286	Y220-I268 WeakPolarHBondContact CA-O 3.43Å; Q221-I268 PolarHBondContact N-O 2.98Å; Q221-I268 PolarHBondContact O-N 2.9Å; D223-I268 HydrophobicContact CB-CD1 3.76Å; I268-K270 HydrophobicContact CG2-CG 4.19Å; I268-N284 HydrophobicContact CG2-CB 3.78Å; I268-Q286 HydrophobicContact CG1-CB 4.29Å
269	C	89.9	Confident	73.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.8	170.3	59.2	0	0	0	0	111.1	P176 F178 A206 I218 D219 Y220 N284 D285	P176-C269 PolarHBondContact O-SG 3.14Å; F178-C269 HydrophobicContact CE2-CB 3.76Å; F178-C269 WeakPolarHBondContact CE2-SG 3.41Å; F178-C269 HydrophobicContact CZ-CB 3.82Å; A206-C269 HydrophobicContact CB-CB 3.54Å; A206-C269 VanDerWaalsContact CB-SG 3.55Å; I218-C269 HydrophobicContact CG2-CB 3.7Å; D219-C269 WeakPolarHBondContact O-CA 3.48Å; Y220-C269 HydrophobicContact CD1-CB 4.3Å; Y220-C269 HydrophobicContact CE1-CB 4.08Å; C269-N284 WeakPolarHBondContact O-CA 3.19Å; C269-N284 WeakPolarHBondContact O-CB 3.35Å; C269-D285 PolarHBondContact N-O 2.75Å; C269-D285 VanDerWaalsContact N-O 3.11Å; C269-D285 PolarHBondContact SG-O 2.76Å
270	K	84.8	Confident	71.4	Confident	51 Å²	51	67.5 Å²	67.5	22%	0.222	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.5	-177	-37.2	-173.2	-175.6	153.9	0	111.1	I218 D219 I268 N284	I218-K270 CarbonylContact C-O 3.5Å; I218-K270 WeakPolarHBondContact CA-O 3.28Å; D219-K270 HydrophobicContact CB-CB 4.48Å; D219-K270 PolarHBondContact N-O 2.74Å; D219-K270 PolarHBondContact O-N 2.88Å; I268-K270 HydrophobicContact CG2-CG 4.19Å; K270-N284 WeakPolarHBondContact CB-OD1 3.02Å; K270-N284 WeakPolarHBondContact CD-OD1 3.35Å; K270-N284 WeakPolarHBondContact CG-OD1 3.31Å
271	S	79.8	Confident	69.3	Low	17 Å²	17	73.7 Å²	73.7	12%	0.119	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.2	165.2	-177.5	0	0	0	0	110.2	N273	S271-N273 PolarHBondContact O-N 2.74Å
272	I	71.8	Confident	67.5	Low	71 Å²	71	76.4 Å²	76.4	36%	0.364	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-15.6	-178.1	-77.8	171	0	0	0	113.3	E217 D219 N275	E217-I272 HydrophobicContact CB-CD1 4.04Å; E217-I272 HydrophobicContact CG-CD1 3.79Å; E217-I272 WeakPolarHBondContact O-CG1 3.11Å; E217-I272 PolarHBondContact O-N 2.75Å; D219-I272 HydrophobicContact CB-CD1 4.36Å; D219-I272 HydrophobicContact CB-CG1 3.79Å; I272-N275 PolarHBondContact O-ND2 2.79Å
273	N	63.4	Low	66	Low	49 Å²	49	75.7 Å²	75.7	26%	0.262	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-8	-163	-81.8	-82.9	0	0	0	117.4	K214 S271 N275	K214-N273 VanDerWaalsContact CE-CG 3.46Å; K214-N273 WeakPolarHBondContact CE-OD1 3.49Å; K214-N273 PolarHBondContact O-ND2 3.31Å; S271-N273 PolarHBondContact O-N 2.74Å; N273-N275 VanDerWaalsContact C-N 3.25Å; N273-N275 PolarHBondContact O-N 2.76Å
274	D	56	Low	65.3	Low	105 Å²	105	79.3 Å²	79.3	56%	0.561	41%	0.414	S	S	*	.			trans	-80	65	178.1	-87.6	-51.2	0	0	0	114	N276	D274-N276 PolarHBondContact O-N 2.76Å
275	N	48.8	Very low	65.1	Low	136 Å²	136	76.3 Å²	76.3	73%	0.727	41%	0.406	S	S	*	.			trans	-84.4	26.6	173.9	-80.5	-84.4	0	0	0	113.4	I272 N273	I272-N275 PolarHBondContact O-ND2 2.79Å; N273-N275 VanDerWaalsContact C-N 3.25Å; N273-N275 PolarHBondContact O-N 2.76Å
276	N	46.9	Very low	65.1	Low	140 Å²	140	80.5 Å²	80.5	75%	0.749	43%	0.425	S	S	*	.	S	Bend	trans	-125.4	79.6	-174.3	-89	-44.1	0	0	0	114.6	D274	D274-N276 PolarHBondContact O-N 2.76Å
277	N	39.6	Very low	65.1	Low	128 Å²	128	78.6 Å²	78.6	68%	0.684	42%	0.418	S	S	*	.			trans	42.5	99.9	142.1	-66.3	-63.6	0	0	0	119.4
278	N	36.3	Very low	65.1	Low	140 Å²	140	80.8 Å²	80.8	75%	0.749	43%	0.428	S	S	*	.	S	Bend	trans	72.4	120.4	145.2	-50.4	-42.3	0	0	0	118.3
279	N	34	Very low	65.2	Low	163 Å²	163	79.5 Å²	79.5	87%	0.872	42%	0.421	S	S	*	.			trans	90	42.6	168.6	-54.6	-24.5	0	0	0	118.4
280	S	38.2	Very low	65.3	Low	73 Å²	73	79.7 Å²	79.7	51%	0.51	42%	0.422	S	S	.	.			trans	-130.8	114.3	151.1	54.6	0	0	0	0	110.6	I282 D283	S280-I282 VanDerWaalsContact C-N 3.33Å; S280-D283 WeakPolarHBondContact CB-OD2 3.03Å; S280-D283 PolarHBondContact OG-OD2 2.92Å
281	I	41	Very low	65.6	Low	164 Å²	164	77.2 Å²	77.2	84%	0.841	41%	0.412	S	S	*	.	S	Bend	trans	-100.4	15.8	-179.7	-67.5	172.7	0	0	0	110
282	I	52	Low	66.2	Low	140 Å²	140	77.7 Å²	77.7	72%	0.718	41%	0.413	S	S	*	.			trans	-126.1	-16.3	-157.2	-54.8	-177.7	0	0	0	112.7	S280 N284	S280-I282 VanDerWaalsContact C-N 3.33Å; I282-N284 PolarHBondContact O-N 3.18Å
283	D	60	Low	67.2	Low	43 Å²	43	74.6 Å²	74.6	23%	0.23	40%	0.397	C	S	.	.	S	Bend	trans	-83.8	15.2	-164	-46.5	-24.1	0	0	0	114.6	L175 S280	L175-D283 HydrophobicContact CD1-CB 4.48Å; L175-D283 HydrophobicContact CD2-CB 3.92Å; S280-D283 WeakPolarHBondContact CB-OD2 3.03Å; S280-D283 PolarHBondContact OG-OD2 2.92Å
284	N	74	Confident	68.4	Low	77 Å²	77	75 Å²	75	41%	0.412	40%	0.399	S	S	.	.			trans	-128.7	120.8	179.8	-40.9	-81.9	0	0	0	110.1	I268 C269 K270 I282	I268-N284 HydrophobicContact CG2-CB 3.78Å; C269-N284 WeakPolarHBondContact O-CA 3.19Å; C269-N284 WeakPolarHBondContact O-CB 3.35Å; K270-N284 WeakPolarHBondContact CB-OD1 3.02Å; K270-N284 WeakPolarHBondContact CD-OD1 3.35Å; K270-N284 WeakPolarHBondContact CG-OD1 3.31Å; I282-N284 PolarHBondContact O-N 3.18Å
285	D	87.8	Confident	70	Confident	38 Å²	38	72.1 Å²	72.1	20%	0.203	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	153.6	163.7	-172	20.8	0	0	0	110.7	F177 F178 R184 C269	F177-D285 HydrophobicContact CB-CB 4.27Å; F178-D285 HydrophobicContact CD2-CB 4.42Å; F178-D285 PolarHBondContact N-OD2 2.98Å; R184-D285 IonicContact CZ-OD1 2.64Å; R184-D285 IonicContact CZ-OD2 3.62Å; R184-D285 IonicContact NH1-OD1 2.68Å; R184-D285 PolarHBondContact NH1-OD1 2.91Å; R184-D285 IonicContact NH1-OD2 3.98Å; R184-D285 PolarHBondContact NH1-OD2 3.42Å; R184-D285 IonicContact NH2-OD1 2.71Å; R184-D285 PolarHBondContact NH2-OD1 2.99Å; R184-D285 IonicContact NH2-OD2 2.72Å; R184-D285 PolarHBondContact NH2-OD2 3.23Å; C269-D285 PolarHBondContact N-O 2.75Å; C269-D285 VanDerWaalsContact N-O 3.11Å; C269-D285 PolarHBondContact SG-O 2.76Å
286	Q	89.4	Confident	71.8	Confident	89 Å²	89	67.8 Å²	67.8	42%	0.416	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.1	-177.1	57	-178	-25.7	0	0	111.1	R184 Y266 L267 I268	R184-Q286 PolarHBondContact NH1-O 3.48Å; Y266-Q286 HydrophobicContact CD1-CB 4.23Å; Y266-Q286 HydrophobicContact CD1-CG 4.33Å; L267-Q286 WeakPolarHBondContact O-CA 3.3Å; I268-Q286 HydrophobicContact CG1-CB 4.29Å
287	L	91.5	Very high	73.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.1	171.5	-177.9	61.7	0	0	0	109	F178 I182 R184 Y186 P204 Y266 L267 M289	F178-L287 HydrophobicContact CB-CB 4.44Å; F178-L287 HydrophobicContact CD1-CB 4.16Å; F178-L287 HydrophobicContact CD1-CD2 4.06Å; F178-L287 HydrophobicContact CD2-CB 3.79Å; F178-L287 HydrophobicContact CE1-CB 4.39Å; F178-L287 HydrophobicContact CE1-CD2 4.44Å; F178-L287 HydrophobicContact CE2-CB 4.04Å; F178-L287 HydrophobicContact CG-CB 3.86Å; F178-L287 HydrophobicContact CG-CD2 4.4Å; F178-L287 HydrophobicContact CZ-CB 4.35Å; I182-L287 HydrophobicContact CG2-CD1 3.93Å; I182-L287 HydrophobicContact CG2-CD2 3.97Å; R184-L287 HydrophobicContact CG-CD1 3.75Å; Y186-L287 HydrophobicContact CG-CD2 4.39Å; P204-L287 HydrophobicContact CB-CD2 4.47Å; P204-L287 HydrophobicContact CG-CD2 3.49Å; P204-L287 VanDerWaalsContact CG-CD2 3.49Å; Y266-L287 WeakPolarHBondContact CA-O 3.47Å; L267-L287 HydrophobicContact CB-CB 4.43Å; L267-L287 PolarHBondContact N-O 3.18Å; L267-L287 PolarHBondContact O-N 2.87Å; L287-M289 HydrophobicContact CD2-SD 3.93Å; L287-M289 HydrophobicContact CG-SD 4.17Å; L287-M289 PolarHBondContact O-N 2.89Å
288	E	91.9	Very high	75.8	Confident	45 Å²	45	60.2 Å²	60.2	21%	0.21	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	118.9	168.6	-173	-177.4	-167.2	0	0	108.9	P185 Y186 R264 Y266	P185-E288 CarbonylContact C-O 3.59Å; P185-E288 VanDerWaalsContact CA-O 3.31Å; P185-E288 WeakPolarHBondContact CA-O 3.46Å; P185-E288 HydrophobicContact CB-CB 3.99Å; P185-E288 HydrophobicContact CB-CG 3.9Å; Y186-E288 PolarHBondContact N-O 3.04Å; R264-E288 WeakPolarHBondContact CD-OE1 3.28Å; R264-E288 IonicContact CZ-OE1 2.76Å; R264-E288 IonicContact NE-OE1 2.69Å; R264-E288 IonicContact NH1-OE1 3.52Å; R264-E288 PolarHBondContact NH1-OE1 2.74Å; Y266-E288 HydrophobicContact CD1-CB 4.09Å; Y266-E288 HydrophobicContact CE1-CB 3.73Å; Y266-E288 HydrophobicContact CE1-CG 3.99Å
289	M	92.1	Very high	78.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.4	177.7	-66.1	-68.1	-61.6	0	0	108.9	Y186 I188 L203 R264 F265 L267 L287	Y186-M289 HydrophobicContact CD1-CE 3.68Å; Y186-M289 HydrophobicContact CD1-SD 3.74Å; Y186-M289 HydrophobicContact CE1-CE 4.29Å; Y186-M289 HydrophobicContact CG-SD 4.21Å; I188-M289 HydrophobicContact CD1-CE 3.93Å; L203-M289 HydrophobicContact CD2-CE 3.65Å; R264-M289 WeakPolarHBondContact CA-O 3.23Å; F265-M289 HydrophobicContact CD2-CB 3.58Å; F265-M289 HydrophobicContact CD2-CG 3.93Å; F265-M289 HydrophobicContact CE1-CB 4.42Å; F265-M289 HydrophobicContact CE2-CB 3.44Å; F265-M289 VanDerWaalsContact CE2-CB 3.44Å; F265-M289 HydrophobicContact CE2-CE 4.43Å; F265-M289 HydrophobicContact CE2-CG 3.65Å; F265-M289 HydrophobicContact CG-CB 4.15Å; F265-M289 HydrophobicContact CZ-CB 3.9Å; F265-M289 HydrophobicContact CZ-CG 4.44Å; F265-M289 PolarHBondContact N-O 2.96Å; F265-M289 VanDerWaalsContact N-O 3.1Å; F265-M289 WeakPolarHBondContact O-CA 3.38Å; F265-M289 WeakPolarHBondContact O-CB 3.16Å; F265-M289 PolarHBondContact O-N 2.97Å; F265-M289 VanDerWaalsContact O-O 3.14Å; L267-M289 HydrophobicContact CB-CG 3.86Å; L267-M289 HydrophobicContact CB-SD 4.48Å; L287-M289 HydrophobicContact CD2-SD 3.93Å; L287-M289 HydrophobicContact CG-SD 4.17Å; L287-M289 PolarHBondContact O-N 2.89Å
290	I	92.4	Very high	80.8	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.6	171.9	-62.7	174.7	0	0	0	107.9	P185 Y186 K187 I188 Q262 R264 D292	P185-I290 HydrophobicContact CB-CD1 3.69Å; P185-I290 HydrophobicContact CB-CG1 4.06Å; P185-I290 HydrophobicContact CG-CD1 3.68Å; Y186-I290 PolarHBondContact O-N 3.23Å; K187-I290 WeakPolarHBondContact CA-O 3.46Å; K187-I290 HydrophobicContact CG-CB 4.02Å; K187-I290 HydrophobicContact CG-CG2 4.32Å; I188-I290 PolarHBondContact N-O 2.64Å; Q262-I290 HydrophobicContact CG-CG2 3.79Å; R264-I290 HydrophobicContact CG-CG1 4.19Å; I290-D292 WeakPolarHBondContact CG2-OD1 3.13Å
291	I	91.8	Very high	83.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	106.9	168.4	-63.6	179.8	0	0	0	106.4	I188 L190 F237 L249 Q262 Y263 F265	I188-I291 HydrophobicContact CB-CG1 4.38Å; I188-I291 HydrophobicContact CD1-CG1 4.47Å; I188-I291 WeakPolarHBondContact O-CA 3.27Å; L190-I291 HydrophobicContact CB-CG2 4.43Å; L190-I291 HydrophobicContact CD1-CD1 4.39Å; L190-I291 HydrophobicContact CD1-CG2 3.52Å; L190-I291 HydrophobicContact CG-CG2 3.9Å; F237-I291 HydrophobicContact CE1-CD1 3.85Å; F237-I291 HydrophobicContact CE2-CD1 4.29Å; F237-I291 HydrophobicContact CZ-CD1 3.66Å; L249-I291 HydrophobicContact CD2-CD1 3.6Å; Q262-I291 WeakPolarHBondContact CA-O 3.35Å; Y263-I291 PolarHBondContact N-O 3.02Å; Y263-I291 PolarHBondContact O-N 2.92Å; F265-I291 HydrophobicContact CE1-CD1 3.88Å; F265-I291 HydrophobicContact CE1-CG1 4.26Å; F265-I291 HydrophobicContact CZ-CD1 3.89Å; F265-I291 HydrophobicContact CZ-CG1 4.4Å
292	D	92.4	Very high	85.8	Confident	26 Å²	26	49.4 Å²	49.4	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.7	170	-59.3	-50.8	0	0	0	107.2	K187 I188 Q189 L190 Q262 I290	K187-D292 VanDerWaalsContact NZ-CG 3.34Å; K187-D292 IonicContact NZ-OD1 2.9Å; K187-D292 PolarHBondContact NZ-OD1 3.12Å; K187-D292 VanDerWaalsContact NZ-OD1 3.15Å; K187-D292 IonicContact NZ-OD2 3.92Å; K187-D292 PolarHBondContact NZ-OD2 2.72Å; I188-D292 PolarHBondContact O-N 3.41Å; Q189-D292 WeakPolarHBondContact CA-O 3.16Å; Q189-D292 HydrophobicContact CG-CB 4.17Å; L190-D292 PolarHBondContact N-O 2.73Å; Q262-D292 PolarHBondContact NE2-OD1 3.48Å; I290-D292 WeakPolarHBondContact CG2-OD1 3.13Å
293	V	91.6	Very high	87.7	Confident	6 Å²	6	43.9 Å²	43.9	4%	0.036	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	144.9	169.7	-169.6	0	0	0	0	107.9	L190 E192 Y257 M260 N261 Y263	L190-V293 CarbonylContact O-C 3.56Å; L190-V293 WeakPolarHBondContact O-CA 3.18Å; E192-V293 HydrophobicContact CB-CG1 4.3Å; Y257-V293 HydrophobicContact CD2-CB 4.11Å; Y257-V293 HydrophobicContact CD2-CG1 4.15Å; Y257-V293 WeakPolarHBondContact CD2-O 3.42Å; Y257-V293 WeakPolarHBondContact CE2-O 3.35Å; M260-V293 WeakPolarHBondContact O-CG2 3.38Å; N261-V293 PolarHBondContact O-N 2.94Å; Y263-V293 HydrophobicContact CD2-CG2 4.06Å; Y263-V293 HydrophobicContact CE2-CG2 3.98Å
294	L	89.9	Confident	88.9	Confident	59 Å²	59	46 Å²	46	31%	0.309	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.3	-179.7	-61.6	-178.5	0	0	0	110	Q189 L190 K191 I296	Q189-L294 HydrophobicContact CB-CD1 4.06Å; Q189-L294 HydrophobicContact CB-CG 4.32Å; Q189-L294 HydrophobicContact CG-CD2 4.44Å; L190-L294 PolarHBondContact O-N 2.79Å; K191-L294 HydrophobicContact CG-CB 4.03Å; K191-L294 HydrophobicContact CG-CD1 4.17Å; L294-I296 PolarHBondContact O-N 2.93Å
295	N	88.2	Confident	89.6	Confident	44 Å²	44	45.7 Å²	45.7	24%	0.235	23%	0.232	C	C	.	.			trans	-47	131.3	174.6	-111.7	119.1	0	0	0	111	E192 Y257 E258 V332	E192-N295 WeakPolarHBondContact OE1-CA 3.27Å; Y257-N295 WeakPolarHBondContact CD1-OD1 3.23Å; Y257-N295 HydrophobicContact CD2-CB 4.33Å; Y257-N295 WeakPolarHBondContact CE1-OD1 3.09Å; Y257-N295 HydrophobicContact CE2-CB 4.44Å; Y257-N295 HydrophobicContact CG-CB 4.48Å; E258-N295 PolarHBondContact OE1-ND2 2.93Å; N295-V332 WeakPolarHBondContact OD1-CB 3.38Å; N295-V332 VanDerWaalsContact OD1-CG2 3.25Å; N295-V332 WeakPolarHBondContact OD1-CG2 3.35Å; N295-V332 PolarHBondContact OD1-N 2.88Å
296	I	86.7	Confident	89.6	Confident	45 Å²	45	51.7 Å²	51.7	23%	0.231	26%	0.261	C	S	.	.			trans	-102.6	165	146.5	-63.1	-170	0	0	0	106.4	K191 E192 I194 L294	K191-I296 HydrophobicContact CB-CD1 4.19Å; K191-I296 HydrophobicContact CD-CD1 4.25Å; E192-I296 HydrophobicContact CG-CB 4.13Å; E192-I296 HydrophobicContact CG-CG1 4.29Å; E192-I296 VanDerWaalsContact O-CD1 3.26Å; E192-I296 WeakPolarHBondContact O-CD1 3.19Å; E192-I296 PolarHBondContact OE1-N 3.14Å; I194-I296 HydrophobicContact CD1-CD1 3.91Å; I194-I296 HydrophobicContact CG1-CD1 3.98Å; L294-I296 PolarHBondContact O-N 2.93Å
297	N	85.8	Confident	89.5	Confident	38 Å²	38	51.8 Å²	51.8	20%	0.203	26%	0.264	C	S	.	.			trans	-90	113.4	163.4	167.5	-87.4	0	0	0	107.2	D331 D382 F385	N297-D331 WeakPolarHBondContact CA-OD2 3.48Å; N297-D331 WeakPolarHBondContact CB-OD2 3.35Å; N297-D331 PolarHBondContact ND2-OD2 2.75Å; N297-D382 PolarHBondContact ND2-OD2 3.01Å; N297-D382 PolarHBondContact OD1-OD2 3.45Å; N297-F385 WeakPolarHBondContact OD1-CD2 3.3Å; N297-F385 WeakPolarHBondContact OD1-CE2 3.32Å
298	D	85.9	Confident	89.5	Confident	70 Å²	70	52 Å²	52	37%	0.374	26%	0.264	S	S	.	.			trans	-140.7	4.9	174.1	77.4	-42.6	0	0	0	114.5	V193 D331	V193-D298 HydrophobicContact CG2-CB 4.31Å; V193-D298 WeakPolarHBondContact CG2-OD2 3.08Å; D298-D331 PolarHBondContact N-OD2 2.88Å
299	N	86.4	Confident	89.5	Confident	54 Å²	54	53.3 Å²	53.3	29%	0.289	27%	0.271	S	S	.	.	S	Bend	trans	-106.2	106.3	174.9	-65	-77.8	0	0	0	111.9	E330 D331	N299-E330 HydrophobicContact CB-CB 4.42Å; N299-D331 WeakPolarHBondContact CB-OD1 3.41Å; N299-D331 PolarHBondContact N-OD2 2.84Å; N299-D331 PolarHBondContact ND2-OD1 3.16Å
300	E	88.1	Confident	89.4	Confident	129 Å²	129	53.8 Å²	53.8	60%	0.603	27%	0.273	S	S	*	.			trans	-59.5	142.5	179.4	66.8	176.9	-168.9	0	0	113.3	F385	E300-F385 HydrophobicContact CB-CB 3.92Å; E300-F385 HydrophobicContact CB-CG 4.29Å
301	P	92.9	Very high	89.3	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.013	30%	0.299	C	S	.	.			trans	-54.9	139.9	176.3	-29.1	35	0	0	0	113.3	I336 A380 D382 A387	P301-I336 HydrophobicContact CB-CD1 4.45Å; P301-I336 HydrophobicContact CB-CG2 4.48Å; P301-A380 HydrophobicContact CB-CB 4.16Å; P301-D382 HydrophobicContact CG-CB 3.83Å; P301-A387 HydrophobicContact CB-CB 4.31Å; P301-A387 WeakPolarHBondContact O-CB 3.44Å
302	K	90.8	Very high	89.3	Confident	128 Å²	128	60.2 Å²	60.2	56%	0.557	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	107	-168.7	-167.9	174	-177.4	174	0	112.1	A327 T328	K302-A327 CarbonylContact O-C 3.6Å; K302-A327 WeakPolarHBondContact O-CA 3.44Å; K302-T328 WeakPolarHBondContact CA-O 3.32Å; K302-T328 VanDerWaalsContact CB-O 3.26Å; K302-T328 WeakPolarHBondContact CB-O 3.38Å; K302-T328 PolarHBondContact N-O 2.73Å; K302-T328 PolarHBondContact O-N 3.19Å; K302-T328 PolarHBondContact O-OG1 2.95Å
303	F	91.9	Very high	89.1	Confident	25 Å²	25	60.9 Å²	60.9	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.3	173.3	-74.2	-74.4	0	0	0	111.7	Q305 Y308 A327 Y338 I378 A380 A387 T389	F303-Q305 WeakPolarHBondContact CB-O 3.48Å; F303-Q305 PolarHBondContact O-N 2.86Å; F303-Y308 HydrophobicContact CB-CE2 4.24Å; F303-Y308 AromaticContact CD1-CE2 3.96Å; F303-Y308 HydrophobicContact CD1-CE2 3.96Å; F303-Y308 HydrophobicContact CG-CE2 4.37Å; F303-A327 HydrophobicContact CD1-CB 3.97Å; F303-A327 HydrophobicContact CE1-CB 4.29Å; F303-A327 HydrophobicContact CG-CB 4.27Å; F303-Y338 AromaticContact CE1-CD1 3.98Å; F303-Y338 HydrophobicContact CE1-CD1 3.98Å; F303-Y338 AromaticContact CE1-CE1 3.82Å; F303-Y338 HydrophobicContact CE1-CE1 3.82Å; F303-Y338 HydrophobicContact CZ-CD1 4.31Å; F303-Y338 HydrophobicContact CZ-CE1 4.45Å; F303-I378 HydrophobicContact CZ-CG2 4.43Å; F303-A380 HydrophobicContact CE1-CB 4.16Å; F303-A380 HydrophobicContact CE2-CB 3.68Å; F303-A380 HydrophobicContact CZ-CB 3.46Å; F303-A380 VanDerWaalsContact CZ-CB 3.46Å; F303-A387 HydrophobicContact CD2-CB 4.49Å; F303-T389 HydrophobicContact CD1-CG2 3.75Å; F303-T389 HydrophobicContact CD2-CG2 3.75Å; F303-T389 HydrophobicContact CE1-CG2 3.63Å; F303-T389 HydrophobicContact CE2-CG2 3.63Å; F303-T389 HydrophobicContact CG-CG2 3.8Å; F303-T389 HydrophobicContact CZ-CG2 3.56Å
304	S	86.5	Confident	88.9	Confident	86 Å²	86	60.8 Å²	60.8	60%	0.601	30%	0.303	S	S	*	.	S	Bend	trans	-63.4	-23	174.9	70.2	0	0	0	0	114.3	Y308 I326	S304-Y308 PolarHBondContact N-OH 2.66Å; S304-Y308 VanDerWaalsContact N-OH 3.13Å; S304-Y308 PolarHBondContact OG-OH 2.88Å; S304-I326 PolarHBondContact N-O 2.92Å
305	Q	87.1	Confident	88.8	Confident	71 Å²	71	61.5 Å²	61.5	33%	0.332	31%	0.307	S	S	.	.			trans	-138.7	143.6	179.9	-55.6	-179.5	3.8	0	0	110.9	F303 I307 Y308 T389	F303-Q305 WeakPolarHBondContact CB-O 3.48Å; F303-Q305 PolarHBondContact O-N 2.86Å; Q305-I307 PolarHBondContact OE1-O 2.82Å; Q305-Y308 HydrophobicContact CB-CD1 4.05Å; Q305-Y308 HydrophobicContact CB-CD2 4.26Å; Q305-Y308 HydrophobicContact CB-CE1 3.78Å; Q305-Y308 HydrophobicContact CB-CE2 4Å; Q305-Y308 HydrophobicContact CB-CG 4.29Å; Q305-Y308 HydrophobicContact CG-CD1 4.23Å; Q305-Y308 HydrophobicContact CG-CE1 3.85Å; Q305-Y308 PolarHBondContact N-OH 2.9Å; Q305-Y308 VanDerWaalsContact O-CE2 3.28Å; Q305-Y308 WeakPolarHBondContact O-CE2 3.5Å; Q305-T389 PolarHBondContact O-OG1 2.78Å
306	M	87.5	Confident	88.9	Confident	165 Å²	165	61.1 Å²	61.1	81%	0.813	31%	0.305	S	S	*	.	S	Bend	trans	-75.8	-26.7	175.3	-172	-177.4	-178.9	0	0	112.7	T389 Q390	M306-T389 VanDerWaalsContact C-OG1 3.29Å; M306-T389 PolarHBondContact O-OG1 2.96Å; M306-T389 VanDerWaalsContact O-OG1 3.07Å; M306-Q390 PolarHBondContact O-N 3.47Å; M306-Q390 VanDerWaalsContact O-N 3.13Å
307	I	89.1	Confident	89	Confident	91 Å²	91	65.3 Å²	65.3	47%	0.467	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122.5	175.9	-53.5	172.3	0	0	0	106.8	Q305 Q390 I392	Q305-I307 PolarHBondContact OE1-O 2.82Å; I307-Q390 CarbonylContact C-O 3.53Å; I307-Q390 WeakPolarHBondContact CA-O 3.46Å; I307-Q390 HydrophobicContact CB-CB 4.36Å; I307-Q390 HydrophobicContact CG1-CB 4.11Å; I307-Q390 HydrophobicContact CG2-CB 4.13Å; I307-I392 HydrophobicContact CG2-CD1 3.64Å; I307-I392 HydrophobicContact CG2-CG1 4.02Å
308	Y	90.2	Very high	89.2	Confident	3 Å²	3	66 Å²	66	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.2	169.8	-65.5	-92.3	0	0	0	108.9	F303 S304 Q305 Y323 L325 I326 T389 Q390 I392	F303-Y308 HydrophobicContact CB-CE2 4.24Å; F303-Y308 AromaticContact CD1-CE2 3.96Å; F303-Y308 HydrophobicContact CD1-CE2 3.96Å; F303-Y308 HydrophobicContact CG-CE2 4.37Å; S304-Y308 PolarHBondContact N-OH 2.66Å; S304-Y308 VanDerWaalsContact N-OH 3.13Å; S304-Y308 PolarHBondContact OG-OH 2.88Å; Q305-Y308 HydrophobicContact CB-CD1 4.05Å; Q305-Y308 HydrophobicContact CB-CD2 4.26Å; Q305-Y308 HydrophobicContact CB-CE1 3.78Å; Q305-Y308 HydrophobicContact CB-CE2 4Å; Q305-Y308 HydrophobicContact CB-CG 4.29Å; Q305-Y308 HydrophobicContact CG-CD1 4.23Å; Q305-Y308 HydrophobicContact CG-CE1 3.85Å; Q305-Y308 PolarHBondContact N-OH 2.9Å; Q305-Y308 VanDerWaalsContact O-CE2 3.28Å; Q305-Y308 WeakPolarHBondContact O-CE2 3.5Å; Y308-Y323 AromaticContact CD1-CE1 3.86Å; Y308-Y323 HydrophobicContact CD1-CE1 3.86Å; Y308-Y323 HydrophobicContact CE1-CE1 4.28Å; Y308-L325 HydrophobicContact CD1-CD2 4.21Å; Y308-L325 HydrophobicContact CD2-CD2 3.86Å; Y308-L325 HydrophobicContact CE1-CD2 4.33Å; Y308-L325 HydrophobicContact CE2-CD2 3.99Å; Y308-L325 HydrophobicContact CG-CD2 3.97Å; Y308-I326 PolarHBondContact OH-O 3.29Å; Y308-I326 VanDerWaalsContact OH-O 3.09Å; Y308-T389 HydrophobicContact CD2-CG2 3.95Å; Y308-T389 WeakPolarHBondContact CD2-OG1 3.36Å; Y308-T389 HydrophobicContact CE2-CG2 3.85Å; Y308-T389 WeakPolarHBondContact CE2-OG1 3.09Å; Y308-Q390 PolarHBondContact N-O 2.98Å; Y308-I392 PolarHBondContact O-N 2.93Å
309	E	91.5	Very high	89.4	Confident	73 Å²	73	68.7 Å²	68.7	34%	0.341	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.8	171.2	-179.5	171.9	146.5	0	0	110.2	K311 I392 K394	E309-K311 WeakPolarHBondContact OE1-CE 3.44Å; E309-K311 IonicContact OE1-NZ 2.72Å; E309-I392 WeakPolarHBondContact CA-O 3.26Å; E309-K394 VanDerWaalsContact CD-CE 3.48Å; E309-K394 HydrophobicContact CG-CD 4.25Å; E309-K394 WeakPolarHBondContact OE1-CD 3.22Å; E309-K394 WeakPolarHBondContact OE1-CE 3.49Å; E309-K394 IonicContact OE1-NZ 3.99Å; E309-K394 PolarHBondContact OE1-NZ 2.92Å; E309-K394 WeakPolarHBondContact OE2-CE 3.35Å; E309-K394 IonicContact OE2-NZ 3.83Å; E309-K394 PolarHBondContact OE2-NZ 2.85Å
310	I	90.5	Very high	89.6	Confident	11 Å²	11	67.9 Å²	67.9	6%	0.056	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.5	173.9	-51.4	167.4	0	0	0	108.2	I312 Y323 I360 L391 I392 I393 K394	I310-I312 HydrophobicContact CG2-CG2 4.02Å; I310-Y323 VanDerWaalsContact CD1-CB 3.44Å; I310-Y323 HydrophobicContact CD1-CD1 4.21Å; I310-Y323 HydrophobicContact CD1-CD2 4.12Å; I310-Y323 HydrophobicContact CD1-CG 3.69Å; I310-Y323 HydrophobicContact CG1-CD2 4.02Å; I310-Y323 HydrophobicContact CG1-CG 4.09Å; I310-I360 HydrophobicContact CD1-CD1 4.05Å; I310-L391 HydrophobicContact CD1-CD1 3.59Å; I310-L391 HydrophobicContact CG1-CD1 4.27Å; I310-I392 PolarHBondContact N-O 3.38Å; I310-I393 HydrophobicContact CD1-CG1 4.46Å; I310-K394 PolarHBondContact O-N 3.37Å
311	K	90.2	Very high	89.7	Confident	127 Å²	127	66.4 Å²	66.4	55%	0.552	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.3	169.6	-51	-170.2	178.4	-177.4	0	110.1	E309 K394 I396	E309-K311 WeakPolarHBondContact OE1-CE 3.44Å; E309-K311 IonicContact OE1-NZ 2.72Å; K311-K394 WeakPolarHBondContact CA-O 3.09Å; K311-K394 HydrophobicContact CG-CB 4.32Å; K311-I396 HydrophobicContact CB-CD1 3.86Å; K311-I396 HydrophobicContact CB-CG1 4.15Å
312	I	91.5	Very high	89.6	Confident	11 Å²	11	67.7 Å²	67.7	6%	0.056	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.4	-177.3	51.3	173.8	0	0	0	110.7	I310 I316 I322 F352 I362 L366 I393 K394 I395 I396	I310-I312 HydrophobicContact CG2-CG2 4.02Å; I312-I316 HydrophobicContact CB-CD1 3.81Å; I312-I316 HydrophobicContact CG2-CD1 3.96Å; I312-I322 HydrophobicContact CD1-CD1 3.99Å; I312-I322 HydrophobicContact CG2-CB 4.17Å; I312-I322 HydrophobicContact CG2-CD1 4.5Å; I312-I322 HydrophobicContact CG2-CG2 4.04Å; I312-F352 HydrophobicContact CD1-CE1 3.81Å; I312-F352 HydrophobicContact CD1-CZ 4.1Å; I312-I362 HydrophobicContact CD1-CD1 4.36Å; I312-L366 HydrophobicContact CD1-CD1 3.5Å; I312-L366 VanDerWaalsContact CD1-CD1 3.5Å; I312-L366 HydrophobicContact CG1-CD1 4.47Å; I312-I393 HydrophobicContact CD1-CG2 3.47Å; I312-I393 VanDerWaalsContact CD1-CG2 3.47Å; I312-I393 HydrophobicContact CG1-CG2 3.73Å; I312-K394 PolarHBondContact N-O 3.07Å; I312-I395 HydrophobicContact CD1-CD1 3.96Å; I312-I395 HydrophobicContact CG1-CD1 3.88Å; I312-I395 CarbonylContact O-C 3.57Å; I312-I395 WeakPolarHBondContact O-CA 3.22Å; I312-I396 PolarHBondContact O-N 2.78Å
313	M	88.1	Confident	89.6	Confident	40 Å²	40	63.8 Å²	63.8	20%	0.197	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147.9	167.8	-67.9	161.3	177.7	0	0	109.7	N315 I316 I396 V398 M569	M313-N315 WeakPolarHBondContact CB-OD1 3.44Å; M313-I316 HydrophobicContact CB-CG1 4.27Å; M313-I316 VanDerWaalsContact O-CG1 3.29Å; M313-I316 WeakPolarHBondContact O-CG1 3.42Å; M313-I396 WeakPolarHBondContact CA-O 3.3Å; M313-I396 HydrophobicContact CG-CB 4.42Å; M313-V398 HydrophobicContact CB-CG2 3.88Å; M313-V398 HydrophobicContact CG-CG2 4.13Å; M313-M569 HydrophobicContact SD-CE 4.01Å
314	E	89	Confident	89.6	Confident	4 Å²	4	66 Å²	66	2%	0.019	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-36.5	178	68.4	-150.5	105.1	0	0	113.5	I316 Q365 L366 D367 Y368 I395 I396 D397 V398	E314-I316 PolarHBondContact O-N 2.85Å; E314-Q365 PolarHBondContact O-NE2 3.5Å; E314-L366 HydrophobicContact CB-CB 4.12Å; E314-D367 WeakPolarHBondContact OE2-CA 3.23Å; E314-Y368 VanDerWaalsContact OE2-CB 3.25Å; E314-Y368 WeakPolarHBondContact OE2-CB 3.39Å; E314-Y368 PolarHBondContact OE2-N 3.11Å; E314-I395 HydrophobicContact CB-CG2 3.65Å; E314-I396 PolarHBondContact N-O 3.08Å; E314-D397 VanDerWaalsContact OE1-CA 3.24Å; E314-D397 WeakPolarHBondContact OE1-CA 3.06Å; E314-V398 HydrophobicContact CG-CB 4.21Å; E314-V398 HydrophobicContact CG-CG2 4.18Å; E314-V398 PolarHBondContact OE1-N 2.98Å
315	N	87.7	Confident	89.8	Confident	74 Å²	74	61.9 Å²	61.9	40%	0.396	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	7.3	-178.9	73.8	1.1	0	0	0	114.5	M313 L317 V398	M313-N315 WeakPolarHBondContact CB-OD1 3.44Å; N315-L317 PolarHBondContact O-N 2.99Å; N315-V398 HydrophobicContact CB-CG2 4.45Å
316	I	89.1	Confident	90	Very high	37 Å²	37	63 Å²	63	19%	0.19	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65	130	173.4	-66.5	-178.4	0	0	0	109.8	I312 M313 E314 V318 I362	I312-I316 HydrophobicContact CB-CD1 3.81Å; I312-I316 HydrophobicContact CG2-CD1 3.96Å; M313-I316 HydrophobicContact CB-CG1 4.27Å; M313-I316 VanDerWaalsContact O-CG1 3.29Å; M313-I316 WeakPolarHBondContact O-CG1 3.42Å; E314-I316 PolarHBondContact O-N 2.85Å; I316-V318 PolarHBondContact O-N 2.77Å; I316-I362 HydrophobicContact CB-CD1 3.9Å; I316-I362 HydrophobicContact CG2-CD1 3.54Å
317	L	89.2	Confident	90.1	Very high	133 Å²	133	55.6 Å²	55.6	70%	0.696	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-56.7	134.2	-177	-61.4	173.9	0	0	0	112.5	N315 S320	N315-L317 PolarHBondContact O-N 2.99Å; L317-S320 WeakPolarHBondContact O-CB 3.39Å; L317-S320 PolarHBondContact O-N 3.22Å; L317-S320 PolarHBondContact O-OG 3.46Å
318	V	89.8	Confident	90.2	Very high	51 Å²	51	55.2 Å²	55.2	31%	0.309	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	140.4	171.4	-171.8	0	0	0	0	110.9	I316 S320 K363 Q365	I316-V318 PolarHBondContact O-N 2.77Å; V318-S320 VanDerWaalsContact C-N 3.33Å; V318-K363 VanDerWaalsContact CG1-C 3.46Å; V318-K363 VanDerWaalsContact CG1-O 3.3Å; V318-K363 WeakPolarHBondContact CG1-O 3.38Å; V318-Q365 HydrophobicContact CG2-CB 4.35Å
319	N	90.2	Very high	90.2	Very high	127 Å²	127	56.2 Å²	56.2	68%	0.679	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	7	-168.2	-45.8	-83.8	0	0	0	115.8	I362	N319-I362 VanDerWaalsContact CA-O 3.22Å; N319-I362 WeakPolarHBondContact CA-O 3.5Å; N319-I362 PolarHBondContact N-O 3.28Å
320	S	90.4	Very high	90.1	Very high	38 Å²	38	58.6 Å²	58.6	27%	0.266	30%	0.301	S	S	.	.			trans	-67.6	134.4	167.6	-62	0	0	0	0	111.3	L317 V318 I361 I362	L317-S320 WeakPolarHBondContact O-CB 3.39Å; L317-S320 PolarHBondContact O-N 3.22Å; L317-S320 PolarHBondContact O-OG 3.46Å; V318-S320 VanDerWaalsContact C-N 3.33Å; S320-I361 WeakPolarHBondContact O-CA 3.42Å; S320-I362 PolarHBondContact O-N 3.26Å
321	M	90.8	Very high	90	Very high	97 Å²	97	58.6 Å²	58.6	48%	0.478	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.4	166.9	-174.1	-81.7	-72.1	0	0	108.7	Y323 Q359 I360 I361	M321-Y323 VanDerWaalsContact SD-C 3.57Å; M321-Y323 PolarHBondContact SD-N 3.33Å; M321-Y323 VanDerWaalsContact SD-N 3.45Å; M321-Q359 HydrophobicContact CG-CB 4.02Å; M321-Q359 HydrophobicContact CG-CG 4.22Å; M321-I360 WeakPolarHBondContact CA-O 3.19Å; M321-I361 HydrophobicContact CB-CG1 4.17Å; M321-I361 HydrophobicContact CG-CG1 4.3Å
322	I	90.7	Very high	89.7	Confident	30 Å²	30	56.1 Å²	56.1	15%	0.154	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-28.4	-174.1	59.2	170.4	0	0	0	113.2	I312 F352 I360 I362 I393	I312-I322 HydrophobicContact CD1-CD1 3.99Å; I312-I322 HydrophobicContact CG2-CB 4.17Å; I312-I322 HydrophobicContact CG2-CD1 4.5Å; I312-I322 HydrophobicContact CG2-CG2 4.04Å; I322-F352 HydrophobicContact CD1-CD1 3.89Å; I322-F352 HydrophobicContact CD1-CE1 3.82Å; I322-I360 HydrophobicContact CD1-CG2 3.79Å; I322-I360 HydrophobicContact CG1-CB 4.05Å; I322-I360 HydrophobicContact CG1-CG2 3.77Å; I322-I360 WeakPolarHBondContact CG1-O 3.33Å; I322-I360 PolarHBondContact N-O 2.98Å; I322-I362 HydrophobicContact CG2-CD1 3.57Å; I322-I362 HydrophobicContact CG2-CG1 3.84Å; I322-I393 HydrophobicContact CD1-CD1 4.07Å; I322-I393 HydrophobicContact CD1-CG2 4.45Å
323	Y	91.1	Very high	88.9	Confident	46 Å²	46	62.5 Å²	62.5	18%	0.18	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	155.3	-177.8	-159	-94.6	0	0	0	111.6	Y308 I310 M321 L325 I360	Y308-Y323 AromaticContact CD1-CE1 3.86Å; Y308-Y323 HydrophobicContact CD1-CE1 3.86Å; Y308-Y323 HydrophobicContact CE1-CE1 4.28Å; I310-Y323 VanDerWaalsContact CD1-CB 3.44Å; I310-Y323 HydrophobicContact CD1-CD1 4.21Å; I310-Y323 HydrophobicContact CD1-CD2 4.12Å; I310-Y323 HydrophobicContact CD1-CG 3.69Å; I310-Y323 HydrophobicContact CG1-CD2 4.02Å; I310-Y323 HydrophobicContact CG1-CG 4.09Å; M321-Y323 VanDerWaalsContact SD-C 3.57Å; M321-Y323 PolarHBondContact SD-N 3.33Å; M321-Y323 VanDerWaalsContact SD-N 3.45Å; Y323-L325 HydrophobicContact CD1-CD2 4.23Å; Y323-L325 HydrophobicContact CE1-CD2 4.29Å; Y323-I360 HydrophobicContact CD1-CD1 4.36Å; Y323-I360 PolarHBondContact O-N 2.75Å
324	Q	91.7	Very high	88.4	Confident	71 Å²	71	62.4 Å²	62.4	33%	0.332	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	110.9	177.1	170.6	67	72.9	0	0	108	I326 N357	Q324-I326 HydrophobicContact CG-CG1 4.48Å; Q324-N357 PolarHBondContact NE2-O 2.97Å
325	L	90.9	Very high	88.3	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.363	C	S	.	.			trans	-70.7	146.9	172.9	-67.2	173.5	0	0	0	110.6	Y308 Y323 Y338 I354 G358 I360 I378	Y308-L325 HydrophobicContact CD1-CD2 4.21Å; Y308-L325 HydrophobicContact CD2-CD2 3.86Å; Y308-L325 HydrophobicContact CE1-CD2 4.33Å; Y308-L325 HydrophobicContact CE2-CD2 3.99Å; Y308-L325 HydrophobicContact CG-CD2 3.97Å; Y323-L325 HydrophobicContact CD1-CD2 4.23Å; Y323-L325 HydrophobicContact CE1-CD2 4.29Å; L325-Y338 HydrophobicContact CB-CD1 4.13Å; L325-Y338 HydrophobicContact CB-CE1 4.1Å; L325-I354 HydrophobicContact CD1-CD1 4.41Å; L325-G358 PolarHBondContact N-O 2.82Å; L325-I360 HydrophobicContact CD1-CD1 4.01Å; L325-I360 HydrophobicContact CD1-CG1 4.33Å; L325-I360 HydrophobicContact CD2-CD1 4.14Å; L325-I360 HydrophobicContact CG-CD1 3.76Å; L325-I360 HydrophobicContact CG-CG1 4.36Å; L325-I378 HydrophobicContact CD1-CB 4.37Å; L325-I378 HydrophobicContact CD1-CG1 4.24Å; L325-I378 HydrophobicContact CD1-CG2 3.73Å
326	I	90	Very high	88.4	Confident	95 Å²	95	65.2 Å²	65.2	49%	0.487	35%	0.353	S	S	.	.			trans	-136.1	117.5	175.8	-54.8	178.2	0	0	0	108.4	S304 Y308 Q324	S304-I326 PolarHBondContact N-O 2.92Å; Y308-I326 PolarHBondContact OH-O 3.29Å; Y308-I326 VanDerWaalsContact OH-O 3.09Å; Q324-I326 HydrophobicContact CG-CG1 4.48Å
327	A	90.8	Very high	88.6	Confident	8 Å²	8	66.3 Å²	66.3	7%	0.066	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.3	155.5	0	0	0	0	0	108.8	K302 F303 I336 Y338 A380	K302-A327 CarbonylContact O-C 3.6Å; K302-A327 WeakPolarHBondContact O-CA 3.44Å; F303-A327 HydrophobicContact CD1-CB 3.97Å; F303-A327 HydrophobicContact CE1-CB 4.29Å; F303-A327 HydrophobicContact CG-CB 4.27Å; A327-I336 HydrophobicContact CB-CD1 4.1Å; A327-I336 HydrophobicContact CB-CG2 4.39Å; A327-I336 VanDerWaalsContact O-CD1 3.31Å; A327-I336 WeakPolarHBondContact O-CD1 3.29Å; A327-Y338 HydrophobicContact CB-CE1 4.1Å; A327-Y338 PolarHBondContact N-OH 3.07Å; A327-A380 HydrophobicContact CB-CB 4.16Å
328	T	90.8	Very high	88.8	Confident	83 Å²	83	61.1 Å²	61.1	51%	0.509	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.3	173.3	52.2	0	0	0	0	109	K302	K302-T328 WeakPolarHBondContact CA-O 3.32Å; K302-T328 VanDerWaalsContact CB-O 3.26Å; K302-T328 WeakPolarHBondContact CB-O 3.38Å; K302-T328 PolarHBondContact N-O 2.73Å; K302-T328 PolarHBondContact O-N 3.19Å; K302-T328 PolarHBondContact O-OG1 2.95Å
329	D	90.8	Very high	88.8	Confident	25 Å²	25	60.6 Å²	60.6	13%	0.134	33%	0.332	C	S	.	.			trans	-138	137.8	-175.1	174.5	-45.4	0	0	0	104.7	D331 S334 I336 D382	D329-D331 WeakPolarHBondContact OD1-CB 3.27Å; D329-D331 PolarHBondContact OD1-N 2.98Å; D329-S334 WeakPolarHBondContact CB-OG 3.21Å; D329-S334 WeakPolarHBondContact OD1-CB 3.44Å; D329-S334 PolarHBondContact OD1-OG 3.36Å; D329-S334 WeakPolarHBondContact OD2-CB 3.25Å; D329-S334 PolarHBondContact OD2-OG 2.85Å; D329-I336 HydrophobicContact CB-CD1 3.65Å; D329-I336 HydrophobicContact CB-CG1 3.95Å; D329-D382 WeakPolarHBondContact OD2-CB 3.24Å
330	E	88.4	Confident	88.6	Confident	123 Å²	123	56.8 Å²	56.8	58%	0.575	31%	0.31	S	S	*	.			trans	-92.3	-14.2	-169.1	-60	-170.6	-156.9	0	0	111.8	E258 N299	E258-E330 HydrophobicContact CG-CB 3.99Å; E258-E330 WeakPolarHBondContact CG-O 3.12Å; N299-E330 HydrophobicContact CB-CB 4.42Å
331	D	88.2	Confident	88.3	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.053	31%	0.313	C	S	.	.	S	Bend	trans	-75.9	147.5	-176.4	-60.7	-23.7	0	0	0	113.4	N297 D298 N299 D329 N333 S334	N297-D331 WeakPolarHBondContact CA-OD2 3.48Å; N297-D331 WeakPolarHBondContact CB-OD2 3.35Å; N297-D331 PolarHBondContact ND2-OD2 2.75Å; D298-D331 PolarHBondContact N-OD2 2.88Å; N299-D331 WeakPolarHBondContact CB-OD1 3.41Å; N299-D331 PolarHBondContact N-OD2 2.84Å; N299-D331 PolarHBondContact ND2-OD1 3.16Å; D329-D331 WeakPolarHBondContact OD1-CB 3.27Å; D329-D331 PolarHBondContact OD1-N 2.98Å; D331-N333 PolarHBondContact O-N 2.75Å; D331-S334 PolarHBondContact O-N 2.99Å; D331-S334 PolarHBondContact O-OG 2.72Å; D331-S334 VanDerWaalsContact O-OG 3.09Å
332	V	84.1	Confident	86.9	Confident	75 Å²	75	60.1 Å²	60.1	46%	0.455	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	114.9	-175.1	177.2	0	0	0	0	114.1	Y257 N295	Y257-V332 HydrophobicContact CD1-CG2 4.34Å; Y257-V332 HydrophobicContact CE1-CB 4.43Å; Y257-V332 HydrophobicContact CE1-CG2 3.47Å; Y257-V332 VanDerWaalsContact CE1-CG2 3.47Å; N295-V332 WeakPolarHBondContact OD1-CB 3.38Å; N295-V332 VanDerWaalsContact OD1-CG2 3.25Å; N295-V332 WeakPolarHBondContact OD1-CG2 3.35Å; N295-V332 PolarHBondContact OD1-N 2.88Å
333	N	75.5	Confident	85.1	Confident	145 Å²	145	63.4 Å²	63.4	78%	0.775	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	25.1	-176.7	-42.7	-74	0	0	0	115.1	D331 T335	D331-N333 PolarHBondContact O-N 2.75Å; N333-T335 PolarHBondContact O-N 3.39Å
334	S	76.6	Confident	83.1	Confident	38 Å²	38	68.5 Å²	68.5	27%	0.266	38%	0.376	S	S	.	.			trans	-55.5	133	166.1	46.8	0	0	0	0	111.6	D329 D331	D329-S334 WeakPolarHBondContact CB-OG 3.21Å; D329-S334 WeakPolarHBondContact OD1-CB 3.44Å; D329-S334 PolarHBondContact OD1-OG 3.36Å; D329-S334 WeakPolarHBondContact OD2-CB 3.25Å; D329-S334 PolarHBondContact OD2-OG 2.85Å; D331-S334 PolarHBondContact O-N 2.99Å; D331-S334 PolarHBondContact O-OG 2.72Å; D331-S334 VanDerWaalsContact O-OG 3.09Å
335	T	86.3	Confident	80.9	Confident	102 Å²	102	71.4 Å²	71.4	63%	0.626	39%	0.393	S	S	*	.			trans	-113.2	75.2	-177.4	50.6	0	0	0	0	110.6	N333 T337	N333-T335 PolarHBondContact O-N 3.39Å; T335-T337 PolarHBondContact O-N 2.89Å
336	I	91	Very high	78.6	Confident	36 Å²	36	79.4 Å²	79.4	19%	0.185	44%	0.435	C	S	.	.			trans	-56.8	122.6	-178.8	-48.8	174.3	0	0	0	110.9	P301 A327 D329 Y338 A380	P301-I336 HydrophobicContact CB-CD1 4.45Å; P301-I336 HydrophobicContact CB-CG2 4.48Å; A327-I336 HydrophobicContact CB-CD1 4.1Å; A327-I336 HydrophobicContact CB-CG2 4.39Å; A327-I336 VanDerWaalsContact O-CD1 3.31Å; A327-I336 WeakPolarHBondContact O-CD1 3.29Å; D329-I336 HydrophobicContact CB-CD1 3.65Å; D329-I336 HydrophobicContact CB-CG1 3.95Å; I336-Y338 HydrophobicContact CB-CE2 4.46Å; I336-Y338 HydrophobicContact CG2-CE1 4.26Å; I336-Y338 HydrophobicContact CG2-CE2 3.94Å; I336-A380 HydrophobicContact CG2-CB 3.83Å
337	T	92.5	Very high	76.3	Confident	59 Å²	59	82.8 Å²	82.8	36%	0.362	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.3	171.8	63.9	0	0	0	0	110.8	T335 S356 A380 N381	T335-T337 PolarHBondContact O-N 2.89Å; T337-S356 WeakPolarHBondContact CA-O 3.47Å; T337-A380 WeakPolarHBondContact O-CA 3.36Å; T337-N381 PolarHBondContact N-O 2.92Å; T337-N381 PolarHBondContact O-N 2.9Å; T337-N381 PolarHBondContact OG1-O 2.67Å
338	Y	93.2	Very high	74.1	Confident	24 Å²	24	88 Å²	88	9%	0.094	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.6	-177.4	-57	-98.2	0	0	0	111.5	F303 L325 A327 I336 S356 G358 R379 A380	F303-Y338 AromaticContact CE1-CD1 3.98Å; F303-Y338 HydrophobicContact CE1-CD1 3.98Å; F303-Y338 AromaticContact CE1-CE1 3.82Å; F303-Y338 HydrophobicContact CE1-CE1 3.82Å; F303-Y338 HydrophobicContact CZ-CD1 4.31Å; F303-Y338 HydrophobicContact CZ-CE1 4.45Å; L325-Y338 HydrophobicContact CB-CD1 4.13Å; L325-Y338 HydrophobicContact CB-CE1 4.1Å; A327-Y338 HydrophobicContact CB-CE1 4.1Å; A327-Y338 PolarHBondContact N-OH 3.07Å; I336-Y338 HydrophobicContact CB-CE2 4.46Å; I336-Y338 HydrophobicContact CG2-CE1 4.26Å; I336-Y338 HydrophobicContact CG2-CE2 3.94Å; Y338-S356 WeakPolarHBondContact CD2-O 3.38Å; Y338-S356 PolarHBondContact N-O 3.21Å; Y338-G358 VanDerWaalsContact CD2-CA 3.41Å; Y338-R379 WeakPolarHBondContact CA-O 3.45Å; Y338-A380 HydrophobicContact CD1-CB 4.3Å; Y338-A380 HydrophobicContact CE1-CB 4.29Å
339	S	90.3	Very high	72.3	Confident	41 Å²	41	88.1 Å²	88.1	29%	0.287	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.2	177.1	56.1	0	0	0	0	112.3	I378 R379	S339-I378 WeakPolarHBondContact O-CG2 3.42Å; S339-R379 PolarHBondContact N-O 2.65Å; S339-R379 PolarHBondContact O-N 2.86Å
340	M	86.9	Confident	71.2	Confident	46 Å²	46	89.1 Å²	89.1	23%	0.227	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136.8	166.8	-69	-177.8	-71.5	0	0	109.4	F352 I354 Y376 I378	M340-F352 WeakPolarHBondContact CE-O 3.45Å; M340-I354 HydrophobicContact CE-CG1 4.41Å; M340-I354 HydrophobicContact CG-CB 4.22Å; M340-I354 HydrophobicContact CG-CD1 3.53Å; M340-I354 HydrophobicContact CG-CG1 3.74Å; M340-I354 HydrophobicContact SD-CD1 4.2Å; M340-I354 HydrophobicContact SD-CG1 4.03Å; M340-Y376 HydrophobicContact SD-CD1 4.03Å; M340-Y376 HydrophobicContact SD-CE1 4.31Å; M340-Y376 HydrophobicContact SD-CG 4.19Å; M340-I378 HydrophobicContact CG-CD1 3.96Å
341	V	82.7	Confident	71	Confident	55 Å²	55	84.3 Å²	84.3	33%	0.333	47%	0.467	S	S	.	.			trans	-75.6	128.5	167.9	-177.3	0	0	0	0	108.3	N343 T377 R379 F388	V341-N343 PolarHBondContact O-N 2.84Å; V341-T377 HydrophobicContact CB-CG2 4.33Å; V341-T377 HydrophobicContact CG2-CG2 3.97Å; V341-T377 PolarHBondContact N-O 3.08Å; V341-R379 HydrophobicContact CG2-CB 3.98Å; V341-F388 HydrophobicContact CG2-CD1 3.98Å; V341-F388 HydrophobicContact CG2-CE1 3.77Å
342	N	62.6	Low	71.1	Confident	151 Å²	151	83.9 Å²	83.9	81%	0.807	47%	0.465	S	S	*	.			trans	-68.3	95	177.3	-74.4	-8.1	0	0	0	110.7
343	N	53.1	Low	71.3	Confident	99 Å²	99	84.1 Å²	84.1	53%	0.529	46%	0.463	S	S	.	.			trans	-62.6	151.3	159.2	-75.4	-11.2	0	0	0	109.5	V341 D345	V341-N343 PolarHBondContact O-N 2.84Å; N343-D345 VanDerWaalsContact C-N 3.27Å; N343-D345 PolarHBondContact O-N 2.89Å
344	I	48.8	Very low	72	Confident	153 Å²	153	78 Å²	78	79%	0.785	43%	0.43	S	S	*	.	S	Bend	trans	-81.4	-3.7	-158	-67.8	166.7	0	0	0	113.4	L346	I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 3.13Å
345	D	44.3	Very low	72.6	Confident	132 Å²	132	79.4 Å²	79.4	71%	0.706	43%	0.433	S	S	*	.			trans	-76.4	75	-179.1	-60.5	-55.9	0	0	0	112.7	N343 N347	N343-D345 VanDerWaalsContact C-N 3.27Å; N343-D345 PolarHBondContact O-N 2.89Å; D345-N347 PolarHBondContact O-N 2.82Å
346	L	43.5	Very low	72.8	Confident	167 Å²	167	78.4 Å²	78.4	87%	0.874	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	9.3	-176.6	-75.4	158.9	0	0	0	116.6	I344	I344-L346 VanDerWaalsContact C-N 3.3Å; I344-L346 PolarHBondContact O-N 3.13Å
347	N	41.3	Very low	72.8	Confident	166 Å²	166	80 Å²	80	89%	0.888	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-7.8	-175.9	-87.7	-3.2	0	0	0	115.2	D345	D345-N347 PolarHBondContact O-N 2.82Å
348	L	44.2	Very low	72.7	Confident	118 Å²	118	77.2 Å²	77.2	62%	0.618	42%	0.421	S	S	*	.	S	Bend	trans	-99.1	124.7	168.6	-76.4	97.4	0	0	0	110.9	S350	L348-S350 PolarHBondContact O-N 2.73Å
349	T	53.7	Low	72.6	Confident	86 Å²	86	78.8 Å²	78.8	53%	0.528	43%	0.43	S	S	.	.			trans	-63.9	131.9	156.7	45	0	0	0	0	108.3	K351 E364	T349-K351 PolarHBondContact O-N 2.53Å; T349-E364 WeakPolarHBondContact CB-OE1 3.36Å; T349-E364 PolarHBondContact OG1-OE1 2.96Å; T349-E364 PolarHBondContact OG1-OE2 3.43Å
350	S	67.7	Low	72.7	Confident	45 Å²	45	76.9 Å²	76.9	32%	0.315	42%	0.416	S	S	.	.			trans	-67.1	105.9	-176.7	67.9	0	0	0	0	110.1	L348 F352 K363	L348-S350 PolarHBondContact O-N 2.73Å; S350-F352 CarbonylContact C-O 3.49Å; S350-F352 WeakPolarHBondContact CB-O 3.41Å; S350-F352 PolarHBondContact O-N 3.17Å; S350-F352 VanDerWaalsContact O-N 3.07Å; S350-F352 PolarHBondContact OG-O 3.04Å; S350-K363 WeakPolarHBondContact O-CD 3.35Å
351	K	85.1	Confident	72.9	Confident	23 Å²	23	75.7 Å²	75.7	10%	0.1	41%	0.411	C	S	.	.	S	Bend	trans	-52.3	-27.9	175.8	-70	-63	-166.2	178.9	0	112.7	T349 K363 E364 Q365 L366 Y374	T349-K351 PolarHBondContact O-N 2.53Å; K351-K363 WeakPolarHBondContact O-CB 3.44Å; K351-K363 PolarHBondContact O-N 2.89Å; K351-E364 HydrophobicContact CD-CB 3.7Å; K351-E364 HydrophobicContact CD-CG 4.47Å; K351-E364 WeakPolarHBondContact CD-OE2 3.27Å; K351-E364 IonicContact NZ-OE2 3.83Å; K351-E364 PolarHBondContact NZ-OE2 2.79Å; K351-E364 PolarHBondContact O-N 3.18Å; K351-Q365 PolarHBondContact NZ-O 2.86Å; K351-L366 HydrophobicContact CB-CD2 3.94Å; K351-L366 HydrophobicContact CD-CD2 4.49Å; K351-L366 HydrophobicContact CG-CD2 4.36Å; K351-Y374 HydrophobicContact CB-CE1 4.39Å; K351-Y374 HydrophobicContact CG-CE1 3.94Å
352	F	89.4	Confident	73.2	Confident	1 Å²	1	73.1 Å²	73.1	0%	0.004	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152	175.3	-51.9	-88.6	0	0	0	110.9	I312 I322 M340 S350 I360 I361 I362 L366 Y374 Y376 I393	I312-F352 HydrophobicContact CD1-CE1 3.81Å; I312-F352 HydrophobicContact CD1-CZ 4.1Å; I322-F352 HydrophobicContact CD1-CD1 3.89Å; I322-F352 HydrophobicContact CD1-CE1 3.82Å; M340-F352 WeakPolarHBondContact CE-O 3.45Å; S350-F352 CarbonylContact C-O 3.49Å; S350-F352 WeakPolarHBondContact CB-O 3.41Å; S350-F352 PolarHBondContact O-N 3.17Å; S350-F352 VanDerWaalsContact O-N 3.07Å; S350-F352 PolarHBondContact OG-O 3.04Å; F352-I360 HydrophobicContact CB-CG2 4.34Å; F352-I360 HydrophobicContact CD1-CG2 4.36Å; F352-I361 CarbonylContact C-O 3.55Å; F352-I361 WeakPolarHBondContact CA-O 3.04Å; F352-I362 HydrophobicContact CD1-CG1 4.11Å; F352-I362 HydrophobicContact CE1-CG1 3.9Å; F352-L366 HydrophobicContact CE1-CD1 4.02Å; F352-L366 HydrophobicContact CE1-CD2 4.15Å; F352-L366 HydrophobicContact CE2-CD2 4.1Å; F352-L366 HydrophobicContact CZ-CD1 3.93Å; F352-L366 HydrophobicContact CZ-CD2 3.59Å; F352-L366 HydrophobicContact CZ-CG 4.44Å; F352-Y374 HydrophobicContact CE2-CD1 4.2Å; F352-Y374 AromaticContact CE2-CD2 3.58Å; F352-Y374 HydrophobicContact CE2-CD2 3.58Å; F352-Y374 AromaticContact CE2-CE2 3.98Å; F352-Y374 HydrophobicContact CE2-CE2 3.98Å; F352-Y374 AromaticContact CE2-CG 3.69Å; F352-Y374 HydrophobicContact CE2-CG 3.69Å; F352-Y374 HydrophobicContact CZ-CD2 4.02Å; F352-Y374 HydrophobicContact CZ-CE2 4.32Å; F352-Y376 AromaticContact CD2-CE2 3.61Å; F352-Y376 HydrophobicContact CD2-CE2 3.61Å; F352-Y376 HydrophobicContact CE2-CE2 4.25Å; F352-Y376 HydrophobicContact CG-CE2 4.4Å; F352-I393 HydrophobicContact CD1-CD1 3.71Å; F352-I393 HydrophobicContact CD2-CD1 3.87Å; F352-I393 HydrophobicContact CE1-CD1 3.73Å; F352-I393 HydrophobicContact CE1-CG2 4.15Å; F352-I393 HydrophobicContact CE2-CD1 3.9Å; F352-I393 HydrophobicContact CG-CD1 3.78Å; F352-I393 HydrophobicContact CZ-CB 4.43Å; F352-I393 HydrophobicContact CZ-CD1 3.83Å; F352-I393 HydrophobicContact CZ-CG2 3.88Å
353	L	88	Confident	74.4	Confident	79 Å²	79	70.7 Å²	70.7	41%	0.414	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.7	169.7	171.9	64.5	0	0	0	107.8	I361 K363	L353-I361 PolarHBondContact N-O 2.92Å; L353-I361 PolarHBondContact O-N 2.94Å; L353-K363 HydrophobicContact CB-CB 4.41Å
354	I	89.9	Confident	76	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.087	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.5	167.4	-57.5	-166	0	0	0	107.9	L325 M340 Q359 I360 I378 L391	L325-I354 HydrophobicContact CD1-CD1 4.41Å; M340-I354 HydrophobicContact CE-CG1 4.41Å; M340-I354 HydrophobicContact CG-CB 4.22Å; M340-I354 HydrophobicContact CG-CD1 3.53Å; M340-I354 HydrophobicContact CG-CG1 3.74Å; M340-I354 HydrophobicContact SD-CD1 4.2Å; M340-I354 HydrophobicContact SD-CG1 4.03Å; I354-Q359 WeakPolarHBondContact CA-O 3.15Å; I354-I360 HydrophobicContact CD1-CG1 4.01Å; I354-I360 HydrophobicContact CG1-CG1 4Å; I354-I378 HydrophobicContact CD1-CD1 3.41Å; I354-I378 VanDerWaalsContact CD1-CD1 3.41Å; I354-I378 HydrophobicContact CD1-CG1 4.05Å; I354-I378 HydrophobicContact CD1-CG2 4.08Å; I354-L391 HydrophobicContact CD1-CD2 3.98Å
355	Q	89.5	Confident	77.9	Confident	68 Å²	68	65.6 Å²	65.6	32%	0.318	35%	0.347	S	S	.	.			trans	-79.1	154.8	172.1	-71.2	-170.5	-4	0	0	110.7	N357 G358 Q359 I361	Q355-N357 WeakPolarHBondContact CB-OD1 3.45Å; Q355-N357 PolarHBondContact O-N 2.79Å; Q355-N357 PolarHBondContact OE1-ND2 2.85Å; Q355-N357 PolarHBondContact OE1-OD1 2.88Å; Q355-G358 PolarHBondContact O-N 3.11Å; Q355-Q359 HydrophobicContact CB-CB 4.36Å; Q355-Q359 PolarHBondContact N-O 2.64Å; Q355-I361 HydrophobicContact CG-CD1 4.06Å
356	S	91	Very high	80.1	Confident	80 Å²	80	59.6 Å²	59.6	56%	0.559	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.6	179.3	54.7	0	0	0	0	114.6	T337 Y338	T337-S356 WeakPolarHBondContact CA-O 3.47Å; Y338-S356 WeakPolarHBondContact CD2-O 3.38Å; Y338-S356 PolarHBondContact N-O 3.21Å
357	N	90.4	Very high	82.2	Confident	70 Å²	70	54.4 Å²	54.4	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	0.1	172.4	63.9	7.8	0	0	0	113.9	Q324 Q355 Q359	Q324-N357 PolarHBondContact NE2-O 2.97Å; Q355-N357 WeakPolarHBondContact CB-OD1 3.45Å; Q355-N357 PolarHBondContact O-N 2.79Å; Q355-N357 PolarHBondContact OE1-ND2 2.85Å; Q355-N357 PolarHBondContact OE1-OD1 2.88Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.49Å; N357-Q359 WeakPolarHBondContact OD1-CG 3.35Å; N357-Q359 PolarHBondContact OD1-N 3.17Å
358	G	90.3	Very high	84.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	90.7	1.5	-178.8	0	0	0	0	0	115.5	L325 Y338 Q355	L325-G358 PolarHBondContact N-O 2.82Å; Y338-G358 VanDerWaalsContact CD2-CA 3.41Å; Q355-G358 PolarHBondContact O-N 3.11Å
359	Q	92.6	Very high	86.4	Confident	58 Å²	58	45.4 Å²	45.4	27%	0.271	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.4	176.6	-67.9	-178.2	-1.2	0	0	111.5	M321 I354 Q355 N357 I361	M321-Q359 HydrophobicContact CG-CB 4.02Å; M321-Q359 HydrophobicContact CG-CG 4.22Å; I354-Q359 WeakPolarHBondContact CA-O 3.15Å; Q355-Q359 HydrophobicContact CB-CB 4.36Å; Q355-Q359 PolarHBondContact N-O 2.64Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.49Å; N357-Q359 WeakPolarHBondContact OD1-CG 3.35Å; N357-Q359 PolarHBondContact OD1-N 3.17Å; Q359-I361 HydrophobicContact CB-CG1 4.47Å
360	I	91.5	Very high	87.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.9	174.1	-56.8	156.4	0	0	0	108	I310 M321 I322 Y323 L325 F352 I354 L391 I393	I310-I360 HydrophobicContact CD1-CD1 4.05Å; M321-I360 WeakPolarHBondContact CA-O 3.19Å; I322-I360 HydrophobicContact CD1-CG2 3.79Å; I322-I360 HydrophobicContact CG1-CB 4.05Å; I322-I360 HydrophobicContact CG1-CG2 3.77Å; I322-I360 WeakPolarHBondContact CG1-O 3.33Å; I322-I360 PolarHBondContact N-O 2.98Å; Y323-I360 HydrophobicContact CD1-CD1 4.36Å; Y323-I360 PolarHBondContact O-N 2.75Å; L325-I360 HydrophobicContact CD1-CD1 4.01Å; L325-I360 HydrophobicContact CD1-CG1 4.33Å; L325-I360 HydrophobicContact CD2-CD1 4.14Å; L325-I360 HydrophobicContact CG-CD1 3.76Å; L325-I360 HydrophobicContact CG-CG1 4.36Å; F352-I360 HydrophobicContact CB-CG2 4.34Å; F352-I360 HydrophobicContact CD1-CG2 4.36Å; I354-I360 HydrophobicContact CD1-CG1 4.01Å; I354-I360 HydrophobicContact CG1-CG1 4Å; I360-L391 HydrophobicContact CD1-CD1 3.77Å; I360-L391 HydrophobicContact CD1-CD2 3.58Å; I360-L391 HydrophobicContact CD1-CG 4.34Å; I360-L391 HydrophobicContact CG1-CD2 4.19Å; I360-I393 HydrophobicContact CG2-CD1 4.45Å
361	I	90.7	Very high	88.5	Confident	22 Å²	22	47 Å²	47	11%	0.113	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.3	-172.8	-60.8	178.8	0	0	0	109.8	S320 M321 F352 L353 Q355 Q359	S320-I361 WeakPolarHBondContact O-CA 3.42Å; M321-I361 HydrophobicContact CB-CG1 4.17Å; M321-I361 HydrophobicContact CG-CG1 4.3Å; F352-I361 CarbonylContact C-O 3.55Å; F352-I361 WeakPolarHBondContact CA-O 3.04Å; L353-I361 PolarHBondContact N-O 2.92Å; L353-I361 PolarHBondContact O-N 2.94Å; Q355-I361 HydrophobicContact CG-CD1 4.06Å; Q359-I361 HydrophobicContact CB-CG1 4.47Å
362	I	90.7	Very high	88.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	127	172.4	-66.1	168.7	0	0	0	109.1	I312 I316 N319 S320 I322 F352 E364 L366	I312-I362 HydrophobicContact CD1-CD1 4.36Å; I316-I362 HydrophobicContact CB-CD1 3.9Å; I316-I362 HydrophobicContact CG2-CD1 3.54Å; N319-I362 VanDerWaalsContact CA-O 3.22Å; N319-I362 WeakPolarHBondContact CA-O 3.5Å; N319-I362 PolarHBondContact N-O 3.28Å; S320-I362 PolarHBondContact O-N 3.26Å; I322-I362 HydrophobicContact CG2-CD1 3.57Å; I322-I362 HydrophobicContact CG2-CG1 3.84Å; F352-I362 HydrophobicContact CD1-CG1 4.11Å; F352-I362 HydrophobicContact CE1-CG1 3.9Å; I362-E364 WeakPolarHBondContact CG2-O 3.42Å; I362-L366 HydrophobicContact CD1-CD1 3.76Å; I362-L366 HydrophobicContact CG1-CD1 4.1Å; I362-L366 HydrophobicContact CG2-CD1 4.45Å; I362-L366 HydrophobicContact CG2-CG 4.24Å
363	K	86.8	Confident	88.2	Confident	101 Å²	101	51.9 Å²	51.9	44%	0.439	26%	0.263	S	S	.	.			trans	-109	-23.8	-173.9	-167.6	-151	169.2	-156	0	113.1	V318 S350 K351 L353	V318-K363 VanDerWaalsContact CG1-C 3.46Å; V318-K363 VanDerWaalsContact CG1-O 3.3Å; V318-K363 WeakPolarHBondContact CG1-O 3.38Å; S350-K363 WeakPolarHBondContact O-CD 3.35Å; K351-K363 WeakPolarHBondContact O-CB 3.44Å; K351-K363 PolarHBondContact O-N 2.89Å; L353-K363 HydrophobicContact CB-CB 4.41Å
364	E	87.1	Confident	88.1	Confident	52 Å²	52	48.6 Å²	48.6	24%	0.243	25%	0.245	C	C	.	.	S	Bend	trans	-136.2	164.6	175.4	-70.9	178.3	-154.7	0	0	109.5	T349 K351 I362	T349-E364 WeakPolarHBondContact CB-OE1 3.36Å; T349-E364 PolarHBondContact OG1-OE1 2.96Å; T349-E364 PolarHBondContact OG1-OE2 3.43Å; K351-E364 HydrophobicContact CD-CB 3.7Å; K351-E364 HydrophobicContact CD-CG 4.47Å; K351-E364 WeakPolarHBondContact CD-OE2 3.27Å; K351-E364 IonicContact NZ-OE2 3.83Å; K351-E364 PolarHBondContact NZ-OE2 2.79Å; K351-E364 PolarHBondContact O-N 3.18Å; I362-E364 WeakPolarHBondContact CG2-O 3.42Å
365	Q	87.8	Confident	88	Confident	93 Å²	93	50.5 Å²	50.5	44%	0.435	26%	0.26	S	S	.	.			trans	-61.3	140	172.3	-166.9	51.6	48.1	0	0	110.3	E314 V318 K351	E314-Q365 PolarHBondContact O-NE2 3.5Å; V318-Q365 HydrophobicContact CG2-CB 4.35Å; K351-Q365 PolarHBondContact NZ-O 2.86Å
366	L	90.4	Very high	87.8	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	25%	0.252	C	S	.	.			trans	-95.7	156.8	174.1	-54.2	176.8	0	0	0	109.4	I312 E314 K351 F352 I362 Y374 I395	I312-L366 HydrophobicContact CD1-CD1 3.5Å; I312-L366 VanDerWaalsContact CD1-CD1 3.5Å; I312-L366 HydrophobicContact CG1-CD1 4.47Å; E314-L366 HydrophobicContact CB-CB 4.12Å; K351-L366 HydrophobicContact CB-CD2 3.94Å; K351-L366 HydrophobicContact CD-CD2 4.49Å; K351-L366 HydrophobicContact CG-CD2 4.36Å; F352-L366 HydrophobicContact CE1-CD1 4.02Å; F352-L366 HydrophobicContact CE1-CD2 4.15Å; F352-L366 HydrophobicContact CE2-CD2 4.1Å; F352-L366 HydrophobicContact CZ-CD1 3.93Å; F352-L366 HydrophobicContact CZ-CD2 3.59Å; F352-L366 HydrophobicContact CZ-CG 4.44Å; I362-L366 HydrophobicContact CD1-CD1 3.76Å; I362-L366 HydrophobicContact CG1-CD1 4.1Å; I362-L366 HydrophobicContact CG2-CD1 4.45Å; I362-L366 HydrophobicContact CG2-CG 4.24Å; L366-Y374 HydrophobicContact CD2-CE2 4.41Å; L366-I395 HydrophobicContact CD1-CD1 3.98Å
367	D	88.3	Confident	87.7	Confident	58 Å²	58	47 Å²	47	31%	0.31	24%	0.235	S	C	.	.			trans	-161.5	110	-161.4	170.5	-23.5	0	0	0	105.6	E314 Q370 C371	E314-D367 WeakPolarHBondContact OE2-CA 3.23Å; D367-Q370 HydrophobicContact CB-CB 4.05Å; D367-Q370 WeakPolarHBondContact OD1-CB 3.39Å; D367-Q370 PolarHBondContact OD1-N 3.26Å; D367-Q370 WeakPolarHBondContact OD2-CB 3.39Å; D367-C371 PolarHBondContact O-N 2.76Å; D367-C371 VanDerWaalsContact O-N 3.11Å
368	Y	88.6	Confident	87.8	Confident	35 Å²	35	43.6 Å²	43.6	14%	0.137	22%	0.218	C	C	.	.	H	α-helix	trans	-71.8	-44	-172.3	175.5	-83.7	0	0	0	110.8	E314 Q370 C371 N372 I395 D397 S434	E314-Y368 VanDerWaalsContact OE2-CB 3.25Å; E314-Y368 WeakPolarHBondContact OE2-CB 3.39Å; E314-Y368 PolarHBondContact OE2-N 3.11Å; Y368-Q370 PolarHBondContact O-N 3.35Å; Y368-C371 CarbonylContact O-C 3.53Å; Y368-C371 PolarHBondContact O-N 2.73Å; Y368-C371 VanDerWaalsContact O-N 3.13Å; Y368-N372 HydrophobicContact CD1-CB 4.36Å; Y368-N372 HydrophobicContact CD2-CB 3.45Å; Y368-N372 VanDerWaalsContact CD2-CB 3.45Å; Y368-N372 HydrophobicContact CE1-CB 4.3Å; Y368-N372 HydrophobicContact CE2-CB 3.36Å; Y368-N372 HydrophobicContact CG-CB 3.97Å; Y368-N372 PolarHBondContact O-N 3.26Å; Y368-N372 VanDerWaalsContact O-N 3.16Å; Y368-I395 HydrophobicContact CD2-CB 4.07Å; Y368-I395 HydrophobicContact CD2-CG2 4.06Å; Y368-D397 HydrophobicContact CD1-CB 3.75Å; Y368-D397 HydrophobicContact CD2-CB 3.62Å; Y368-D397 HydrophobicContact CE1-CB 3.95Å; Y368-D397 HydrophobicContact CE2-CB 3.82Å; Y368-D397 HydrophobicContact CG-CB 3.6Å; Y368-S434 PolarHBondContact OH-OG 2.56Å
369	E	84	Confident	87.9	Confident	61 Å²	61	47.4 Å²	47.4	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-33.5	177.7	-73.4	55.1	-126.9	0	0	111.6	R432 D433	E369-R432 HydrophobicContact CG-CB 3.83Å; E369-D433 WeakPolarHBondContact OE1-CA 3.5Å; E369-D433 PolarHBondContact OE1-N 2.76Å
370	Q	83.1	Confident	87.9	Confident	125 Å²	125	44.7 Å²	44.7	58%	0.584	22%	0.219	S	C	*	.	H	α-helix	trans	-77.3	-45.1	171.4	178.9	167.4	109.1	0	0	112.9	D367 Y368	D367-Q370 HydrophobicContact CB-CB 4.05Å; D367-Q370 WeakPolarHBondContact OD1-CB 3.39Å; D367-Q370 PolarHBondContact OD1-N 3.26Å; D367-Q370 WeakPolarHBondContact OD2-CB 3.39Å; Y368-Q370 PolarHBondContact O-N 3.35Å
371	C	82.6	Confident	87.9	Confident	38 Å²	38	46.1 Å²	46.1	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-164.6	99.8	-179.8	-166.5	0	0	0	0	114.1	D367 Y368 L373 Y374 I395	D367-C371 PolarHBondContact O-N 2.76Å; D367-C371 VanDerWaalsContact O-N 3.11Å; Y368-C371 CarbonylContact O-C 3.53Å; Y368-C371 PolarHBondContact O-N 2.73Å; Y368-C371 VanDerWaalsContact O-N 3.13Å; C371-L373 VanDerWaalsContact C-N 3.33Å; C371-L373 PolarHBondContact O-N 2.72Å; C371-Y374 HydrophobicContact CB-CE1 4.08Å; C371-Y374 HydrophobicContact CB-CE2 4.29Å; C371-Y374 VanDerWaalsContact O-CE2 3.31Å; C371-Y374 WeakPolarHBondContact O-CE2 3.34Å; C371-I395 WeakPolarHBondContact O-CG1 3.22Å
372	N	83.1	Confident	87.9	Confident	40 Å²	40	45.8 Å²	45.8	21%	0.214	23%	0.225	C	C	.	.	S	Bend	trans	-77.1	-7.4	178.3	66.1	19.1	0	0	0	116.3	Y368 I395 E507	Y368-N372 HydrophobicContact CD1-CB 4.36Å; Y368-N372 HydrophobicContact CD2-CB 3.45Å; Y368-N372 VanDerWaalsContact CD2-CB 3.45Å; Y368-N372 HydrophobicContact CE1-CB 4.3Å; Y368-N372 HydrophobicContact CE2-CB 3.36Å; Y368-N372 HydrophobicContact CG-CB 3.97Å; Y368-N372 PolarHBondContact O-N 3.26Å; Y368-N372 VanDerWaalsContact O-N 3.16Å; N372-I395 PolarHBondContact O-N 3.2Å; N372-E507 PolarHBondContact ND2-OE1 2.68Å
373	L	86.7	Confident	87.7	Confident	88 Å²	88	48.8 Å²	48.8	46%	0.461	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	106.4	-173.4	-174.6	73.9	0	0	0	112.7	C371 I392 K394	C371-L373 VanDerWaalsContact C-N 3.33Å; C371-L373 PolarHBondContact O-N 2.72Å; L373-I392 HydrophobicContact CD1-CG2 3.61Å; L373-K394 HydrophobicContact CD1-CD 4.47Å; L373-K394 HydrophobicContact CD1-CG 3.6Å
374	Y	86	Confident	87.6	Confident	10 Å²	10	51.1 Å²	51.1	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.1	170.6	-59	-87.5	0	0	0	110.8	K351 F352 L366 C371 Y376 I393 I395	K351-Y374 HydrophobicContact CB-CE1 4.39Å; K351-Y374 HydrophobicContact CG-CE1 3.94Å; F352-Y374 HydrophobicContact CE2-CD1 4.2Å; F352-Y374 AromaticContact CE2-CD2 3.58Å; F352-Y374 HydrophobicContact CE2-CD2 3.58Å; F352-Y374 AromaticContact CE2-CE2 3.98Å; F352-Y374 HydrophobicContact CE2-CE2 3.98Å; F352-Y374 AromaticContact CE2-CG 3.69Å; F352-Y374 HydrophobicContact CE2-CG 3.69Å; F352-Y374 HydrophobicContact CZ-CD2 4.02Å; F352-Y374 HydrophobicContact CZ-CE2 4.32Å; L366-Y374 HydrophobicContact CD2-CE2 4.41Å; C371-Y374 HydrophobicContact CB-CE1 4.08Å; C371-Y374 HydrophobicContact CB-CE2 4.29Å; C371-Y374 VanDerWaalsContact O-CE2 3.31Å; C371-Y374 WeakPolarHBondContact O-CE2 3.34Å; Y374-Y376 HydrophobicContact CG-CE2 4.46Å; Y374-I393 PolarHBondContact N-O 3.18Å; Y374-I393 PolarHBondContact O-N 2.83Å; Y374-I395 HydrophobicContact CD2-CD1 4.04Å; Y374-I395 HydrophobicContact CD2-CG1 4.2Å; Y374-I395 HydrophobicContact CE2-CD1 3.93Å; Y374-I395 HydrophobicContact CE2-CG1 3.93Å
375	S	86.5	Confident	87.7	Confident	56 Å²	56	52.2 Å²	52.2	39%	0.392	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.4	174.6	-167.2	0	0	0	0	110.9	Q390 L391	S375-Q390 PolarHBondContact OG-OE1 3.49Å; S375-L391 WeakPolarHBondContact CA-O 3.26Å
376	Y	86.6	Confident	87.8	Confident	40 Å²	40	50.7 Å²	50.7	16%	0.157	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136	-178.7	-61	-72.1	0	0	0	111.3	M340 F352 Y374 L391 I393	M340-Y376 HydrophobicContact SD-CD1 4.03Å; M340-Y376 HydrophobicContact SD-CE1 4.31Å; M340-Y376 HydrophobicContact SD-CG 4.19Å; F352-Y376 AromaticContact CD2-CE2 3.61Å; F352-Y376 HydrophobicContact CD2-CE2 3.61Å; F352-Y376 HydrophobicContact CE2-CE2 4.25Å; F352-Y376 HydrophobicContact CG-CE2 4.4Å; Y374-Y376 HydrophobicContact CG-CE2 4.46Å; Y376-L391 PolarHBondContact N-O 3.28Å; Y376-L391 PolarHBondContact O-N 2.87Å; Y376-I393 HydrophobicContact CD2-CD1 4.46Å; Y376-I393 HydrophobicContact CE2-CD1 4.38Å
377	T	88.8	Confident	87.9	Confident	34 Å²	34	51 Å²	51	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.5	166.6	-56	0	0	0	0	108.6	V341 F388 Q390	V341-T377 HydrophobicContact CB-CG2 4.33Å; V341-T377 HydrophobicContact CG2-CG2 3.97Å; V341-T377 PolarHBondContact N-O 3.08Å; T377-F388 HydrophobicContact CG2-CB 4.49Å; T377-F388 HydrophobicContact CG2-CD1 4.13Å; T377-Q390 PolarHBondContact OG1-NE2 3.08Å
378	I	91	Very high	88.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.2	-179	-41.9	-48.3	0	0	0	109.6	F303 L325 S339 M340 I354 F388 T389 L391	F303-I378 HydrophobicContact CZ-CG2 4.43Å; L325-I378 HydrophobicContact CD1-CB 4.37Å; L325-I378 HydrophobicContact CD1-CG1 4.24Å; L325-I378 HydrophobicContact CD1-CG2 3.73Å; S339-I378 WeakPolarHBondContact O-CG2 3.42Å; M340-I378 HydrophobicContact CG-CD1 3.96Å; I354-I378 HydrophobicContact CD1-CD1 3.41Å; I354-I378 VanDerWaalsContact CD1-CD1 3.41Å; I354-I378 HydrophobicContact CD1-CG1 4.05Å; I354-I378 HydrophobicContact CD1-CG2 4.08Å; I378-F388 VanDerWaalsContact O-CA 3.28Å; I378-F388 WeakPolarHBondContact O-CA 3.41Å; I378-T389 HydrophobicContact CB-CG2 3.92Å; I378-T389 HydrophobicContact CG1-CG2 4.36Å; I378-T389 PolarHBondContact N-O 3.3Å; I378-T389 PolarHBondContact O-N 3.24Å; I378-L391 HydrophobicContact CD1-CB 3.83Å; I378-L391 HydrophobicContact CD1-CD2 3.88Å; I378-L391 HydrophobicContact CG1-CB 3.55Å; I378-L391 HydrophobicContact CG1-CD2 4.1Å; I378-L391 HydrophobicContact CG1-CG 4.44Å
379	R	92.4	Very high	88.2	Confident	80 Å²	80	52.1 Å²	52.1	30%	0.302	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	175.9	176.7	-175.2	175.5	-159.6	1.4	109.9	Y338 S339 V341 D386 A387 F388	Y338-R379 WeakPolarHBondContact CA-O 3.45Å; S339-R379 PolarHBondContact N-O 2.65Å; S339-R379 PolarHBondContact O-N 2.86Å; V341-R379 HydrophobicContact CG2-CB 3.98Å; R379-D386 IonicContact CZ-OD1 2.78Å; R379-D386 IonicContact CZ-OD2 3.38Å; R379-D386 VanDerWaalsContact CZ-OD2 3.31Å; R379-D386 IonicContact NE-OD1 2.7Å; R379-D386 PolarHBondContact NE-OD1 3.34Å; R379-D386 IonicContact NE-OD2 3.5Å; R379-D386 PolarHBondContact NE-OD2 3.07Å; R379-D386 IonicContact NH2-OD1 3.5Å; R379-D386 PolarHBondContact NH2-OD1 3.19Å; R379-D386 IonicContact NH2-OD2 3.62Å; R379-D386 PolarHBondContact NH2-OD2 3.32Å; R379-A387 CarbonylContact C-O 3.6Å; R379-A387 VanDerWaalsContact CA-O 3.32Å; R379-A387 WeakPolarHBondContact CA-O 3.49Å; R379-F388 HydrophobicContact CB-CD1 4.06Å; R379-F388 HydrophobicContact CB-CE1 3.8Å; R379-F388 HydrophobicContact CG-CD1 4.47Å; R379-F388 HydrophobicContact CG-CE1 3.88Å; R379-F388 HydrophobicContact CG-CZ 4.3Å
380	A	93.3	Very high	88.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.4	161.2	0	0	0	0	0	108.7	P301 F303 A327 I336 T337 Y338 A387	P301-A380 HydrophobicContact CB-CB 4.16Å; F303-A380 HydrophobicContact CE1-CB 4.16Å; F303-A380 HydrophobicContact CE2-CB 3.68Å; F303-A380 HydrophobicContact CZ-CB 3.46Å; F303-A380 VanDerWaalsContact CZ-CB 3.46Å; A327-A380 HydrophobicContact CB-CB 4.16Å; I336-A380 HydrophobicContact CG2-CB 3.83Å; T337-A380 WeakPolarHBondContact O-CA 3.36Å; Y338-A380 HydrophobicContact CD1-CB 4.3Å; Y338-A380 HydrophobicContact CE1-CB 4.29Å; A380-A387 PolarHBondContact N-O 3.31Å; A380-A387 PolarHBondContact O-N 3.28Å
381	N	91.4	Very high	88.9	Confident	31 Å²	31	46.7 Å²	46.7	17%	0.166	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.5	-178	172.3	-116.4	0	0	0	110.2	T337 F385 D386	T337-N381 PolarHBondContact N-O 2.92Å; T337-N381 PolarHBondContact O-N 2.9Å; T337-N381 PolarHBondContact OG1-O 2.67Å; N381-F385 PolarHBondContact ND2-O 3.05Å; N381-D386 WeakPolarHBondContact CB-OD1 3.19Å; N381-D386 PolarHBondContact ND2-OD1 3.1Å
382	D	91.5	Very high	89.1	Confident	14 Å²	14	46.6 Å²	46.6	8%	0.075	25%	0.246	C	C	.	.	S	Bend	trans	-79.5	-34.3	176.9	51	5.1	0	0	0	113.5	N297 P301 D329 E384 F385	N297-D382 PolarHBondContact ND2-OD2 3.01Å; N297-D382 PolarHBondContact OD1-OD2 3.45Å; P301-D382 HydrophobicContact CG-CB 3.83Å; D329-D382 WeakPolarHBondContact OD2-CB 3.24Å; D382-E384 PolarHBondContact OD1-N 3.32Å; D382-F385 PolarHBondContact OD1-N 3.13Å; D382-F385 VanDerWaalsContact OD1-O 3.12Å
383	G	85.5	Confident	89.4	Confident	63 Å²	63	44.7 Å²	44.7	65%	0.649	24%	0.235	S	C	*	.	S	Bend	trans	145.1	-22.1	-171.6	0	0	0	0	0	113.9
384	E	85.5	Confident	89.5	Confident	151 Å²	151	43.8 Å²	43.8	71%	0.706	23%	0.227	S	C	*	.	S	Bend	trans	-135.1	-36	-175.9	-170.2	152.7	-174.4	0	0	113.5	D382	D382-E384 PolarHBondContact OD1-N 3.32Å
385	F	87.8	Confident	89.6	Confident	74 Å²	74	43.7 Å²	43.7	33%	0.325	23%	0.228	S	C	.	.			trans	-108.6	165.5	175.6	-64.9	-76.9	0	0	0	114.3	N297 E300 N381 D382	N297-F385 WeakPolarHBondContact OD1-CD2 3.3Å; N297-F385 WeakPolarHBondContact OD1-CE2 3.32Å; E300-F385 HydrophobicContact CB-CB 3.92Å; E300-F385 HydrophobicContact CB-CG 4.29Å; N381-F385 PolarHBondContact ND2-O 3.05Å; D382-F385 PolarHBondContact OD1-N 3.13Å; D382-F385 VanDerWaalsContact OD1-O 3.12Å
386	D	90.3	Very high	89.6	Confident	62 Å²	62	44.5 Å²	44.5	33%	0.332	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	117.1	-173.8	-82.8	-23.9	0	0	0	112.1	R379 N381 F388	R379-D386 IonicContact CZ-OD1 2.78Å; R379-D386 IonicContact CZ-OD2 3.38Å; R379-D386 VanDerWaalsContact CZ-OD2 3.31Å; R379-D386 IonicContact NE-OD1 2.7Å; R379-D386 PolarHBondContact NE-OD1 3.34Å; R379-D386 IonicContact NE-OD2 3.5Å; R379-D386 PolarHBondContact NE-OD2 3.07Å; R379-D386 IonicContact NH2-OD1 3.5Å; R379-D386 PolarHBondContact NH2-OD1 3.19Å; R379-D386 IonicContact NH2-OD2 3.62Å; R379-D386 PolarHBondContact NH2-OD2 3.32Å; N381-D386 WeakPolarHBondContact CB-OD1 3.19Å; N381-D386 PolarHBondContact ND2-OD1 3.1Å; D386-F388 HydrophobicContact CB-CE2 3.84Å; D386-F388 HydrophobicContact CB-CZ 3.92Å; D386-F388 WeakPolarHBondContact O-CE2 2.98Å
387	A	91.9	Very high	89.6	Confident	10 Å²	10	43.6 Å²	43.6	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.4	175.2	0	0	0	0	0	112.3	P301 F303 R379 A380	P301-A387 HydrophobicContact CB-CB 4.31Å; P301-A387 WeakPolarHBondContact O-CB 3.44Å; F303-A387 HydrophobicContact CD2-CB 4.49Å; R379-A387 CarbonylContact C-O 3.6Å; R379-A387 VanDerWaalsContact CA-O 3.32Å; R379-A387 WeakPolarHBondContact CA-O 3.49Å; A380-A387 PolarHBondContact N-O 3.31Å; A380-A387 PolarHBondContact O-N 3.28Å
388	F	93	Very high	89.4	Confident	113 Å²	113	43.2 Å²	43.2	50%	0.496	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.7	-170.8	-58.7	-86	0	0	0	113	V341 T377 I378 R379 D386	V341-F388 HydrophobicContact CG2-CD1 3.98Å; V341-F388 HydrophobicContact CG2-CE1 3.77Å; T377-F388 HydrophobicContact CG2-CB 4.49Å; T377-F388 HydrophobicContact CG2-CD1 4.13Å; I378-F388 VanDerWaalsContact O-CA 3.28Å; I378-F388 WeakPolarHBondContact O-CA 3.41Å; R379-F388 HydrophobicContact CB-CD1 4.06Å; R379-F388 HydrophobicContact CB-CE1 3.8Å; R379-F388 HydrophobicContact CG-CD1 4.47Å; R379-F388 HydrophobicContact CG-CE1 3.88Å; R379-F388 HydrophobicContact CG-CZ 4.3Å; D386-F388 HydrophobicContact CB-CE2 3.84Å; D386-F388 HydrophobicContact CB-CZ 3.92Å; D386-F388 WeakPolarHBondContact O-CE2 2.98Å
389	T	92	Very high	89.2	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.1	173	-171.2	0	0	0	0	110.5	F303 Q305 M306 Y308 I378	F303-T389 HydrophobicContact CD1-CG2 3.75Å; F303-T389 HydrophobicContact CD2-CG2 3.75Å; F303-T389 HydrophobicContact CE1-CG2 3.63Å; F303-T389 HydrophobicContact CE2-CG2 3.63Å; F303-T389 HydrophobicContact CG-CG2 3.8Å; F303-T389 HydrophobicContact CZ-CG2 3.56Å; Q305-T389 PolarHBondContact O-OG1 2.78Å; M306-T389 VanDerWaalsContact C-OG1 3.29Å; M306-T389 PolarHBondContact O-OG1 2.96Å; M306-T389 VanDerWaalsContact O-OG1 3.07Å; Y308-T389 HydrophobicContact CD2-CG2 3.95Å; Y308-T389 WeakPolarHBondContact CD2-OG1 3.36Å; Y308-T389 HydrophobicContact CE2-CG2 3.85Å; Y308-T389 WeakPolarHBondContact CE2-OG1 3.09Å; I378-T389 HydrophobicContact CB-CG2 3.92Å; I378-T389 HydrophobicContact CG1-CG2 4.36Å; I378-T389 PolarHBondContact N-O 3.3Å; I378-T389 PolarHBondContact O-N 3.24Å
390	Q	89.7	Confident	88.8	Confident	70 Å²	70	45.6 Å²	45.6	33%	0.327	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	136.9	167.9	-69.1	-70.4	-72.9	0	0	110.1	M306 I307 Y308 S375 T377	M306-Q390 PolarHBondContact O-N 3.47Å; M306-Q390 VanDerWaalsContact O-N 3.13Å; I307-Q390 CarbonylContact C-O 3.53Å; I307-Q390 WeakPolarHBondContact CA-O 3.46Å; I307-Q390 HydrophobicContact CB-CB 4.36Å; I307-Q390 HydrophobicContact CG1-CB 4.11Å; I307-Q390 HydrophobicContact CG2-CB 4.13Å; Y308-Q390 PolarHBondContact N-O 2.98Å; S375-Q390 PolarHBondContact OG-OE1 3.49Å; T377-Q390 PolarHBondContact OG1-NE2 3.08Å
391	L	90.4	Very high	88.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112	170.4	177.7	68.7	0	0	0	108.6	I310 I354 I360 S375 Y376 I378 I393	I310-L391 HydrophobicContact CD1-CD1 3.59Å; I310-L391 HydrophobicContact CG1-CD1 4.27Å; I354-L391 HydrophobicContact CD1-CD2 3.98Å; I360-L391 HydrophobicContact CD1-CD1 3.77Å; I360-L391 HydrophobicContact CD1-CD2 3.58Å; I360-L391 HydrophobicContact CD1-CG 4.34Å; I360-L391 HydrophobicContact CG1-CD2 4.19Å; S375-L391 WeakPolarHBondContact CA-O 3.26Å; Y376-L391 PolarHBondContact N-O 3.28Å; Y376-L391 PolarHBondContact O-N 2.87Å; I378-L391 HydrophobicContact CD1-CB 3.83Å; I378-L391 HydrophobicContact CD1-CD2 3.88Å; I378-L391 HydrophobicContact CG1-CB 3.55Å; I378-L391 HydrophobicContact CG1-CD2 4.1Å; I378-L391 HydrophobicContact CG1-CG 4.44Å; L391-I393 HydrophobicContact CD2-CD1 4.18Å; L391-I393 HydrophobicContact CD2-CG1 4.41Å; L391-I393 HydrophobicContact CG-CD1 4.44Å; L391-I393 HydrophobicContact CG-CG1 4.13Å
392	I	88.4	Confident	88.3	Confident	37 Å²	37	53.2 Å²	53.2	19%	0.19	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.3	178.6	-57.4	-179.7	0	0	0	108.1	I307 Y308 E309 I310 L373 K394	I307-I392 HydrophobicContact CG2-CD1 3.64Å; I307-I392 HydrophobicContact CG2-CG1 4.02Å; Y308-I392 PolarHBondContact O-N 2.93Å; E309-I392 WeakPolarHBondContact CA-O 3.26Å; I310-I392 PolarHBondContact N-O 3.38Å; L373-I392 HydrophobicContact CD1-CG2 3.61Å; I392-K394 HydrophobicContact CG2-CG 4.24Å
393	I	89.4	Confident	88.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.9	176	-51	175.5	0	0	0	107.3	I310 I312 I322 F352 I360 Y374 Y376 L391 I395	I310-I393 HydrophobicContact CD1-CG1 4.46Å; I312-I393 HydrophobicContact CD1-CG2 3.47Å; I312-I393 VanDerWaalsContact CD1-CG2 3.47Å; I312-I393 HydrophobicContact CG1-CG2 3.73Å; I322-I393 HydrophobicContact CD1-CD1 4.07Å; I322-I393 HydrophobicContact CD1-CG2 4.45Å; F352-I393 HydrophobicContact CD1-CD1 3.71Å; F352-I393 HydrophobicContact CD2-CD1 3.87Å; F352-I393 HydrophobicContact CE1-CD1 3.73Å; F352-I393 HydrophobicContact CE1-CG2 4.15Å; F352-I393 HydrophobicContact CE2-CD1 3.9Å; F352-I393 HydrophobicContact CG-CD1 3.78Å; F352-I393 HydrophobicContact CZ-CB 4.43Å; F352-I393 HydrophobicContact CZ-CD1 3.83Å; F352-I393 HydrophobicContact CZ-CG2 3.88Å; I360-I393 HydrophobicContact CG2-CD1 4.45Å; Y374-I393 PolarHBondContact N-O 3.18Å; Y374-I393 PolarHBondContact O-N 2.83Å; Y376-I393 HydrophobicContact CD2-CD1 4.46Å; Y376-I393 HydrophobicContact CE2-CD1 4.38Å; L391-I393 HydrophobicContact CD2-CD1 4.18Å; L391-I393 HydrophobicContact CD2-CG1 4.41Å; L391-I393 HydrophobicContact CG-CD1 4.44Å; L391-I393 HydrophobicContact CG-CG1 4.13Å; I393-I395 HydrophobicContact CG2-CD1 4.31Å
394	K	87.9	Confident	88.1	Confident	68 Å²	68	53.4 Å²	53.4	30%	0.296	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.6	173.2	-68.4	175.6	-173.3	173.3	0	108.9	E309 I310 K311 I312 L373 I392	E309-K394 VanDerWaalsContact CD-CE 3.48Å; E309-K394 HydrophobicContact CG-CD 4.25Å; E309-K394 WeakPolarHBondContact OE1-CD 3.22Å; E309-K394 WeakPolarHBondContact OE1-CE 3.49Å; E309-K394 IonicContact OE1-NZ 3.99Å; E309-K394 PolarHBondContact OE1-NZ 2.92Å; E309-K394 WeakPolarHBondContact OE2-CE 3.35Å; E309-K394 IonicContact OE2-NZ 3.83Å; E309-K394 PolarHBondContact OE2-NZ 2.85Å; I310-K394 PolarHBondContact O-N 3.37Å; K311-K394 WeakPolarHBondContact CA-O 3.09Å; K311-K394 HydrophobicContact CG-CB 4.32Å; I312-K394 PolarHBondContact N-O 3.07Å; L373-K394 HydrophobicContact CD1-CD 4.47Å; L373-K394 HydrophobicContact CD1-CG 3.6Å; I392-K394 HydrophobicContact CG2-CG 4.24Å
395	I	88.8	Confident	88.2	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	138.7	169.5	-47.4	-51.8	0	0	0	107.7	I312 E314 L366 Y368 C371 N372 Y374 I393	I312-I395 HydrophobicContact CD1-CD1 3.96Å; I312-I395 HydrophobicContact CG1-CD1 3.88Å; I312-I395 CarbonylContact O-C 3.57Å; I312-I395 WeakPolarHBondContact O-CA 3.22Å; E314-I395 HydrophobicContact CB-CG2 3.65Å; L366-I395 HydrophobicContact CD1-CD1 3.98Å; Y368-I395 HydrophobicContact CD2-CB 4.07Å; Y368-I395 HydrophobicContact CD2-CG2 4.06Å; C371-I395 WeakPolarHBondContact O-CG1 3.22Å; N372-I395 PolarHBondContact O-N 3.2Å; Y374-I395 HydrophobicContact CD2-CD1 4.04Å; Y374-I395 HydrophobicContact CD2-CG1 4.2Å; Y374-I395 HydrophobicContact CE2-CD1 3.93Å; Y374-I395 HydrophobicContact CE2-CG1 3.93Å; I393-I395 HydrophobicContact CG2-CD1 4.31Å
396	I	86.8	Confident	87.7	Confident	72 Å²	72	47.2 Å²	47.2	37%	0.369	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.2	169.2	-59.8	172.1	0	0	0	105.5	K311 I312 M313 E314	K311-I396 HydrophobicContact CB-CD1 3.86Å; K311-I396 HydrophobicContact CB-CG1 4.15Å; I312-I396 PolarHBondContact O-N 2.78Å; M313-I396 WeakPolarHBondContact CA-O 3.3Å; M313-I396 HydrophobicContact CG-CB 4.42Å; E314-I396 PolarHBondContact N-O 3.08Å
397	D	86.1	Confident	86.8	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-64.6	147.1	179.5	99	118.3	0	0	0	111.9	E314 Y368 S434 N438	E314-D397 VanDerWaalsContact OE1-CA 3.24Å; E314-D397 WeakPolarHBondContact OE1-CA 3.06Å; Y368-D397 HydrophobicContact CD1-CB 3.75Å; Y368-D397 HydrophobicContact CD2-CB 3.62Å; Y368-D397 HydrophobicContact CE1-CB 3.95Å; Y368-D397 HydrophobicContact CE2-CB 3.82Å; Y368-D397 HydrophobicContact CG-CB 3.6Å; D397-S434 WeakPolarHBondContact OD1-CB 3.34Å; D397-S434 PolarHBondContact OD1-N 3.33Å; D397-S434 VanDerWaalsContact OD2-CB 3.25Å; D397-S434 WeakPolarHBondContact OD2-CB 3.36Å; D397-N438 WeakPolarHBondContact OD1-CB 3.49Å; D397-N438 PolarHBondContact OD1-ND2 3.5Å; D397-N438 PolarHBondContact OD2-ND2 2.83Å
398	V	85.5	Confident	85.7	Confident	26 Å²	26	51.1 Å²	51.1	16%	0.158	25%	0.247	C	C	.	.			trans	-127.4	135.2	177.6	176.1	0	0	0	0	107	M313 E314 N315 D400	M313-V398 HydrophobicContact CB-CG2 3.88Å; M313-V398 HydrophobicContact CG-CG2 4.13Å; E314-V398 HydrophobicContact CG-CB 4.21Å; E314-V398 HydrophobicContact CG-CG2 4.18Å; E314-V398 PolarHBondContact OE1-N 2.98Å; N315-V398 HydrophobicContact CB-CG2 4.45Å; V398-D400 VanDerWaalsContact C-N 3.34Å; V398-D400 PolarHBondContact O-N 3.5Å
399	N	85.4	Confident	84.7	Confident	34 Å²	34	47.4 Å²	47.4	18%	0.182	23%	0.234	C	C	.	.	S	Bend	trans	-68.7	87	-177.9	-162.7	146.9	0	0	0	110.9	D433 N438 D539	N399-D433 WeakPolarHBondContact CA-OD2 3.03Å; N399-D433 PolarHBondContact ND2-OD2 2.78Å; N399-N438 HydrophobicContact CB-CB 3.98Å; N399-N438 PolarHBondContact N-ND2 3.29Å; N399-D539 VanDerWaalsContact ND2-CG 3.29Å; N399-D539 PolarHBondContact ND2-OD2 3.01Å; N399-D539 PolarHBondContact OD1-OD1 3.12Å
400	D	85.1	Confident	83.6	Confident	96 Å²	96	51.7 Å²	51.7	51%	0.513	26%	0.264	S	S	.	.			trans	-134.5	-13.9	179.9	86.8	7.4	0	0	0	116.5	V398	V398-D400 VanDerWaalsContact C-N 3.34Å; V398-D400 PolarHBondContact O-N 3.5Å
401	E	85.6	Confident	83.1	Confident	65 Å²	65	53.6 Å²	53.6	30%	0.304	27%	0.272	S	S	.	.	S	Bend	trans	-76.6	175	152.2	-80.7	-79.7	-150	0	0	110.4	R432 D433 L578	E401-R432 HydrophobicContact CB-CB 4.12Å; E401-R432 HydrophobicContact CG-CB 4.12Å; E401-R432 IonicContact OE1-CZ 2.61Å; E401-R432 IonicContact OE1-NH1 3.13Å; E401-R432 PolarHBondContact OE1-NH1 2.94Å; E401-D433 WeakPolarHBondContact CB-OD1 3.4Å; E401-D433 PolarHBondContact N-OD1 2.84Å; E401-D433 VanDerWaalsContact N-OD1 3.15Å; E401-L578 WeakPolarHBondContact O-CD1 3.48Å
402	R	87.4	Confident	82.9	Confident	126 Å²	126	54.2 Å²	54.2	48%	0.475	28%	0.275	S	S	.	.			trans	-143.9	161.1	-173.5	60.1	169.2	58	-133.9	-10.4	112.1	E404 D431 L578 T579	R402-E404 PolarHBondContact O-N 2.69Å; R402-D431 VanDerWaalsContact C-OD2 3.31Å; R402-L578 HydrophobicContact CB-CB 4.17Å; R402-T579 PolarHBondContact NH1-O 3.49Å
403	P	88.5	Confident	82.9	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.019	29%	0.287	C	S	.	.			trans	-58.8	113.6	178.3	-24.3	31.9	0	0	0	112.5	I429 I430 D431 V441 C537 D539 A580	P403-I429 HydrophobicContact CB-CG2 4.19Å; P403-I430 CarbonylContact C-O 3.53Å; P403-I430 WeakPolarHBondContact CA-O 3.34Å; P403-D431 WeakPolarHBondContact CD-OD2 3.46Å; P403-D431 VanDerWaalsContact CG-OD2 3.25Å; P403-D431 WeakPolarHBondContact CG-OD2 3.15Å; P403-V441 HydrophobicContact CB-CG1 4.14Å; P403-V441 HydrophobicContact CB-CG2 4.15Å; P403-V441 HydrophobicContact CG-CG1 4.33Å; P403-V441 HydrophobicContact CG-CG2 4.28Å; P403-C537 HydrophobicContact CB-CB 4.33Å; P403-D539 HydrophobicContact CG-CB 4.23Å; P403-A580 HydrophobicContact CB-CB 4.01Å; P403-A580 WeakPolarHBondContact O-CB 3.48Å
404	E	85.4	Confident	82.9	Confident	77 Å²	77	57 Å²	57	36%	0.36	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.6	-177.4	176.6	-179.6	-142.9	0	0	110.8	R402 L406 I429 I430 R432	R402-E404 PolarHBondContact O-N 2.69Å; E404-L406 HydrophobicContact CG-CD2 4.18Å; E404-L406 PolarHBondContact O-N 2.77Å; E404-I429 WeakPolarHBondContact O-CA 3.23Å; E404-I430 HydrophobicContact CB-CG2 3.85Å; E404-I430 HydrophobicContact CG-CG2 4.43Å; E404-I430 PolarHBondContact N-O 2.79Å; E404-I430 PolarHBondContact O-N 2.86Å; E404-R432 IonicContact OE1-NH2 3.56Å; E404-R432 IonicContact OE2-CZ 2.65Å; E404-R432 IonicContact OE2-NE 3.43Å; E404-R432 PolarHBondContact OE2-NE 3.08Å; E404-R432 IonicContact OE2-NH2 2.8Å; E404-R432 PolarHBondContact OE2-NH2 2.8Å
405	F	86.2	Confident	82.9	Confident	26 Å²	26	58.4 Å²	58.4	11%	0.114	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	85	176	-62.6	-86.7	0	0	0	110.8	L407 N408 L428 I429 L535 C537 A580 M582	F405-L407 VanDerWaalsContact C-N 3.26Å; F405-L407 PolarHBondContact O-N 3.01Å; F405-N408 HydrophobicContact CB-CB 3.93Å; F405-N408 WeakPolarHBondContact O-CB 3.47Å; F405-L428 CarbonylContact C-O 3.19Å; F405-I429 HydrophobicContact CD1-CD1 3.92Å; F405-I429 HydrophobicContact CD1-CG1 3.77Å; F405-I429 HydrophobicContact CD1-CG2 4.46Å; F405-I429 HydrophobicContact CE1-CD1 3.53Å; F405-I429 HydrophobicContact CE1-CG1 3.93Å; F405-I429 HydrophobicContact CZ-CD1 4.46Å; F405-L535 HydrophobicContact CE1-CD2 4.33Å; F405-C537 HydrophobicContact CZ-CB 4.3Å; F405-A580 HydrophobicContact CE2-CB 3.82Å; F405-M582 HydrophobicContact CB-CE 4.47Å; F405-M582 HydrophobicContact CB-SD 4.07Å; F405-M582 HydrophobicContact CD1-CB 4.24Å; F405-M582 HydrophobicContact CD1-CE 3.31Å; F405-M582 HydrophobicContact CD1-SD 3.85Å; F405-M582 HydrophobicContact CD2-CB 4.14Å; F405-M582 HydrophobicContact CD2-SD 4.46Å; F405-M582 HydrophobicContact CE1-CB 3.9Å; F405-M582 HydrophobicContact CE1-CE 3.61Å; F405-M582 HydrophobicContact CE1-SD 4.38Å; F405-M582 HydrophobicContact CE2-CB 3.8Å; F405-M582 HydrophobicContact CG-CB 4.35Å; F405-M582 HydrophobicContact CG-CE 3.99Å; F405-M582 HydrophobicContact CG-SD 3.89Å; F405-M582 HydrophobicContact CZ-CB 3.67Å; F405-M582 HydrophobicContact CZ-CE 4.49Å
406	L	77.6	Confident	82.9	Confident	70 Å²	70	58 Å²	58	37%	0.366	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-31.7	178.2	-66.1	178.9	0	0	0	113.8	E404 L428 I430 Y511	E404-L406 HydrophobicContact CG-CD2 4.18Å; E404-L406 PolarHBondContact O-N 2.77Å; L406-L428 HydrophobicContact CB-CB 4.4Å; L406-L428 HydrophobicContact CB-CD2 4.17Å; L406-L428 HydrophobicContact CB-CG 4.37Å; L406-L428 HydrophobicContact CD1-CD2 4.07Å; L406-L428 HydrophobicContact CD1-CG 4.43Å; L406-L428 PolarHBondContact N-O 2.81Å; L406-I430 HydrophobicContact CD1-CB 3.78Å; L406-I430 HydrophobicContact CD1-CD1 4.14Å; L406-I430 HydrophobicContact CD1-CG2 3.72Å; L406-I430 HydrophobicContact CD2-CG2 4Å; L406-I430 HydrophobicContact CG-CB 4.18Å; L406-I430 HydrophobicContact CG-CG2 3.66Å; L406-Y511 HydrophobicContact CD1-CD1 4.11Å; L406-Y511 HydrophobicContact CD1-CE1 3.69Å
407	L	71.8	Confident	82.8	Confident	51 Å²	51	57.1 Å²	57.1	27%	0.267	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	97.4	172.8	-166.7	74.8	0	0	0	108.5	F405 P409 H426 L427 L428 Y478	F405-L407 VanDerWaalsContact C-N 3.26Å; F405-L407 PolarHBondContact O-N 3.01Å; L407-P409 VanDerWaalsContact O-CD 3.27Å; L407-P409 WeakPolarHBondContact O-CD 3.2Å; L407-H426 HydrophobicContact CD2-CB 4.35Å; L407-L427 WeakPolarHBondContact O-CD2 3.3Å; L407-L428 HydrophobicContact CB-CB 3.75Å; L407-L428 PolarHBondContact N-O 2.72Å; L407-Y478 HydrophobicContact CD2-CE1 4.17Å
408	N	69.5	Low	82.8	Confident	102 Å²	102	59 Å²	59	55%	0.545	30%	0.297	S	S	.	.			trans	-120.7	62.9	-169	58.6	0.2	0	0	0	113	F405 S410 M582	F405-N408 HydrophobicContact CB-CB 3.93Å; F405-N408 WeakPolarHBondContact O-CB 3.47Å; N408-S410 PolarHBondContact O-N 2.7Å; N408-M582 HydrophobicContact CB-SD 3.75Å
409	P	70.9	Confident	82.9	Confident	36 Å²	36	61.8 Å²	61.8	23%	0.234	32%	0.316	C	S	.	.			trans	-61.1	97.4	178.2	27.5	-35.3	0	0	0	111.1	L407 K411 L412 L427	L407-P409 VanDerWaalsContact O-CD 3.27Å; L407-P409 WeakPolarHBondContact O-CD 3.2Å; P409-K411 PolarHBondContact O-N 2.98Å; P409-K411 VanDerWaalsContact O-N 3.15Å; P409-L412 HydrophobicContact CB-CD2 3.72Å; P409-L412 HydrophobicContact CB-CG 4.22Å; P409-L412 HydrophobicContact CG-CD2 3.7Å; P409-L412 HydrophobicContact CG-CG 4.15Å; P409-L427 HydrophobicContact CG-CD2 3.87Å
410	S	69.7	Low	82.8	Confident	94 Å²	94	66.2 Å²	66.2	66%	0.657	34%	0.335	S	S	*	.	S	Bend	trans	-58.2	-27.8	179.4	57.5	0	0	0	0	113	N408 T585	N408-S410 PolarHBondContact O-N 2.7Å; S410-T585 PolarHBondContact O-N 3.42Å
411	K	79.6	Confident	82.8	Confident	111 Å²	111	68.3 Å²	68.3	48%	0.483	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115.4	174.1	-172.2	-179.7	-178.2	-177.2	0	109.8	P409 I413 T585	P409-K411 PolarHBondContact O-N 2.98Å; P409-K411 VanDerWaalsContact O-N 3.15Å; K411-I413 HydrophobicContact CG-CG1 4.43Å; K411-T585 CarbonylContact C-O 3.5Å; K411-T585 WeakPolarHBondContact CA-O 3.35Å
412	L	86.1	Confident	83	Confident	14 Å²	14	66.6 Å²	66.6	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	157.4	164.6	-71.2	176.2	0	0	0	109.7	P409 I424 I455 L516 I584 T585 L586 Q587	P409-L412 HydrophobicContact CB-CD2 3.72Å; P409-L412 HydrophobicContact CB-CG 4.22Å; P409-L412 HydrophobicContact CG-CD2 3.7Å; P409-L412 HydrophobicContact CG-CG 4.15Å; L412-I424 HydrophobicContact CB-CG2 3.84Å; L412-I424 HydrophobicContact CD1-CG2 3.81Å; L412-I424 HydrophobicContact CD2-CG2 4.42Å; L412-I424 HydrophobicContact CG-CG2 4.25Å; L412-I455 HydrophobicContact CD1-CD1 4.38Å; L412-L516 HydrophobicContact CD1-CD2 3.58Å; L412-I584 HydrophobicContact CB-CG2 4.44Å; L412-I584 HydrophobicContact CD1-CG2 3.68Å; L412-I584 HydrophobicContact CG-CG2 3.97Å; L412-T585 PolarHBondContact N-O 3.02Å; L412-L586 HydrophobicContact CB-CD1 3.91Å; L412-Q587 PolarHBondContact O-N 3.29Å
413	I	88	Confident	83	Confident	86 Å²	86	65.3 Å²	65.3	44%	0.441	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.8	-175.3	-57.3	-177.4	0	0	0	108.1	K411 Q587 L589	K411-I413 HydrophobicContact CG-CG1 4.43Å; I413-Q587 WeakPolarHBondContact CA-O 3.27Å; I413-L589 HydrophobicContact CG2-CD1 3.56Å; I413-L589 HydrophobicContact CG2-CD2 3.77Å; I413-L589 HydrophobicContact CG2-CG 3.43Å; I413-L589 VanDerWaalsContact CG2-CG 3.43Å
414	I	88.8	Confident	83	Confident	9 Å²	9	66.1 Å²	66.1	5%	0.046	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.6	167.9	-159.6	-173.8	0	0	0	108	Q418 T422 I424 Y522 L586 Q587 I588 L589	I414-Q418 HydrophobicContact CD1-CB 4.13Å; I414-Q418 HydrophobicContact CD1-CG 4.28Å; I414-Q418 HydrophobicContact CG1-CG 4.15Å; I414-T422 HydrophobicContact CD1-CG2 4.12Å; I414-I424 HydrophobicContact CD1-CG1 4.2Å; I414-Y522 HydrophobicContact CD1-CD2 4.13Å; I414-Y522 HydrophobicContact CD1-CE2 4.15Å; I414-Y522 HydrophobicContact CG2-CD2 3.85Å; I414-Y522 HydrophobicContact CG2-CE2 3.98Å; I414-L586 HydrophobicContact CB-CD1 4.13Å; I414-L586 HydrophobicContact CG2-CD1 3.87Å; I414-L586 HydrophobicContact CG2-CD2 4.19Å; I414-L586 HydrophobicContact CG2-CG 4.23Å; I414-Q587 PolarHBondContact N-O 3.31Å; I414-Q587 VanDerWaalsContact N-O 3.11Å; I414-I588 HydrophobicContact CG2-CD1 3.57Å; I414-I588 CarbonylContact O-C 3.49Å; I414-I588 WeakPolarHBondContact O-CA 3.44Å; I414-L589 PolarHBondContact O-N 3.22Å
415	K	88.1	Confident	83	Confident	97 Å²	97	62.8 Å²	62.8	42%	0.422	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	152.6	162.2	-68.4	173.8	158.9	-82.8	0	108.9	Q418 E591	K415-Q418 HydrophobicContact CB-CG 4.05Å; K415-Q418 VanDerWaalsContact O-CG 3.3Å; K415-Q418 WeakPolarHBondContact O-CG 3.29Å; K415-E591 HydrophobicContact CB-CG 4.11Å; K415-E591 WeakPolarHBondContact CD-OE1 3.24Å; K415-E591 WeakPolarHBondContact CE-OE1 3.2Å; K415-E591 WeakPolarHBondContact CG-OE1 3.33Å; K415-E591 IonicContact NZ-OE1 3.61Å; K415-E591 PolarHBondContact NZ-OE1 3.27Å; K415-E591 IonicContact NZ-OE2 2.65Å; K415-E591 PolarHBondContact NZ-OE2 3.29Å
416	E	88.1	Confident	82.8	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.321	C	S	.	.	S	Bend	trans	-73.3	-175.9	165.1	73.5	-171.4	110.5	0	0	112.2	Q418 R524 I588 L589 D590 E591	E416-Q418 WeakPolarHBondContact O-CG 3.39Å; E416-Q418 PolarHBondContact O-N 3.23Å; E416-Q418 PolarHBondContact O-NE2 3.49Å; E416-R524 VanDerWaalsContact CD-CB 3.49Å; E416-R524 VanDerWaalsContact OE1-CB 3.29Å; E416-R524 WeakPolarHBondContact OE1-CB 3.37Å; E416-R524 WeakPolarHBondContact OE2-CB 3.32Å; E416-R524 PolarHBondContact OE2-N 2.78Å; E416-I588 HydrophobicContact CB-CG2 3.58Å; E416-L589 PolarHBondContact N-O 3.26Å; E416-D590 WeakPolarHBondContact OE1-CA 3.31Å; E416-E591 HydrophobicContact CG-CB 4.01Å; E416-E591 HydrophobicContact CG-CG 4.02Å; E416-E591 PolarHBondContact OE1-N 3.37Å
417	N	86.5	Confident	83.1	Confident	54 Å²	54	59.1 Å²	59.1	29%	0.289	30%	0.304	S	S	.	.	S	Bend	trans	60.2	-8.8	-178.4	-88.6	-74	0	0	0	116.7	K521 Y522 D593	N417-K521 WeakPolarHBondContact OD1-CE 3.32Å; N417-K521 PolarHBondContact OD1-NZ 3.23Å; N417-Y522 PolarHBondContact N-O 2.91Å; N417-Y522 VanDerWaalsContact N-O 3.08Å; N417-D593 PolarHBondContact ND2-OD2 3.46Å
418	Q	85.2	Confident	83.6	Confident	62 Å²	62	58.1 Å²	58.1	29%	0.29	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.7	144.3	178.5	-56.6	-49.7	-66.7	0	0	110.8	I414 K415 E416 T422	I414-Q418 HydrophobicContact CD1-CB 4.13Å; I414-Q418 HydrophobicContact CD1-CG 4.28Å; I414-Q418 HydrophobicContact CG1-CG 4.15Å; K415-Q418 HydrophobicContact CB-CG 4.05Å; K415-Q418 VanDerWaalsContact O-CG 3.3Å; K415-Q418 WeakPolarHBondContact O-CG 3.29Å; E416-Q418 WeakPolarHBondContact O-CG 3.39Å; E416-Q418 PolarHBondContact O-N 3.23Å; E416-Q418 PolarHBondContact O-NE2 3.49Å; Q418-T422 HydrophobicContact CB-CG2 4.03Å; Q418-T422 HydrophobicContact CG-CG2 4.41Å
419	P	87.1	Confident	84.3	Confident	84 Å²	84	53.2 Å²	53.2	55%	0.545	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-62.3	160.2	-177.7	24.4	-32.5	0	0	0	112.4	K421 T422 S518	P419-K421 PolarHBondContact O-N 2.84Å; P419-T422 VanDerWaalsContact CD-OG1 3.27Å; P419-T422 WeakPolarHBondContact CD-OG1 3.4Å; P419-T422 WeakPolarHBondContact CG-OG1 3.33Å; P419-T422 WeakPolarHBondContact O-CB 3.49Å; P419-T422 PolarHBondContact O-N 2.87Å; P419-T422 PolarHBondContact O-OG1 2.91Å; P419-S518 PolarHBondContact O-OG 3.04Å
420	E	83.3	Confident	85	Confident	126 Å²	126	52 Å²	52	59%	0.589	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	139.7	166.3	-66.5	173.3	-165.7	0	0	109.9	T422	E420-T422 VanDerWaalsContact C-N 3.31Å; E420-T422 PolarHBondContact O-N 3.11Å
421	K	86.4	Confident	85.8	Confident	141 Å²	141	47.7 Å²	47.7	61%	0.613	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	30.5	-177.4	-49.8	173.6	-171.3	174.7	0	114.1	P419 Y517 S518	P419-K421 PolarHBondContact O-N 2.84Å; K421-Y517 WeakPolarHBondContact O-CD1 3.5Å; K421-S518 VanDerWaalsContact CA-O 3.32Å; K421-S518 WeakPolarHBondContact CA-O 3.34Å; K421-S518 PolarHBondContact N-O 3.3Å; K421-S518 PolarHBondContact N-OG 2.8Å
422	T	89.2	Confident	86	Confident	29 Å²	29	47.2 Å²	47.2	18%	0.178	23%	0.228	C	C	.	.			trans	-69.6	134.9	164.5	-65	0	0	0	0	109.8	I414 Q418 P419 E420 Y517 S518	I414-T422 HydrophobicContact CD1-CG2 4.12Å; Q418-T422 HydrophobicContact CB-CG2 4.03Å; Q418-T422 HydrophobicContact CG-CG2 4.41Å; P419-T422 VanDerWaalsContact CD-OG1 3.27Å; P419-T422 WeakPolarHBondContact CD-OG1 3.4Å; P419-T422 WeakPolarHBondContact CG-OG1 3.33Å; P419-T422 WeakPolarHBondContact O-CB 3.49Å; P419-T422 PolarHBondContact O-N 2.87Å; P419-T422 PolarHBondContact O-OG1 2.91Å; E420-T422 VanDerWaalsContact C-N 3.31Å; E420-T422 PolarHBondContact O-N 3.11Å; T422-Y517 CarbonylContact O-C 3.55Å; T422-Y517 VanDerWaalsContact O-CA 3.28Å; T422-Y517 WeakPolarHBondContact O-CA 3.45Å; T422-S518 PolarHBondContact N-OG 3.39Å; T422-S518 PolarHBondContact O-N 3.3Å
423	F	87.8	Confident	86	Confident	99 Å²	99	46.6 Å²	46.6	43%	0.434	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	131.6	176.2	168.8	-105.6	0	0	0	111.9	G425 H426 T515 Y517	F423-G425 WeakPolarHBondContact CE2-O 3.4Å; F423-G425 VanDerWaalsContact CZ-CA 3.46Å; F423-H426 AromaticContact CE2-CD2 3.81Å; F423-H426 AromaticContact CE2-CE1 3.5Å; F423-H426 AromaticContact CE2-ND1 3.95Å; F423-H426 AromaticContact CE2-NE2 3.42Å; F423-H426 WeakPolarHBondContact CE2-NE2 3.33Å; F423-H426 AromaticContact CZ-CD2 3.68Å; F423-H426 AromaticContact CZ-NE2 3.5Å; F423-H426 WeakPolarHBondContact CZ-NE2 3.46Å; F423-T515 HydrophobicContact CD2-CG2 3.77Å; F423-T515 HydrophobicContact CE2-CG2 3.92Å; F423-Y517 HydrophobicContact CB-CD1 4.34Å; F423-Y517 HydrophobicContact CB-CE1 4.19Å
424	I	88.2	Confident	85.7	Confident	19 Å²	19	42.9 Å²	42.9	10%	0.097	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-38.2	-179.7	-52.7	179.6	0	0	0	111.1	L412 I414 I455 L516 L586	L412-I424 HydrophobicContact CB-CG2 3.84Å; L412-I424 HydrophobicContact CD1-CG2 3.81Å; L412-I424 HydrophobicContact CD2-CG2 4.42Å; L412-I424 HydrophobicContact CG-CG2 4.25Å; I414-I424 HydrophobicContact CD1-CG1 4.2Å; I424-I455 HydrophobicContact CD1-CG1 4.11Å; I424-L516 HydrophobicContact CB-CB 4.36Å; I424-L516 PolarHBondContact N-O 2.95Å; I424-L586 HydrophobicContact CD1-CD1 4.42Å; I424-L586 HydrophobicContact CD1-CD2 4.01Å; I424-L586 HydrophobicContact CG2-CD1 3.78Å
425	G	84.8	Confident	84.8	Confident	8 Å²	8	44.1 Å²	44.1	8%	0.082	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-175.5	-177	0	0	0	0	0	112.9	F423 L516	F423-G425 WeakPolarHBondContact CE2-O 3.4Å; F423-G425 VanDerWaalsContact CZ-CA 3.46Å; G425-L516 WeakPolarHBondContact O-CB 3.14Å; G425-L516 PolarHBondContact O-N 2.86Å
426	H	81.8	Confident	83.8	Confident	18 Å²	18	45.8 Å²	45.8	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.9	170.9	-62.5	-68.8	0	0	0	110.9	L407 F423 R513 F514 T515	L407-H426 HydrophobicContact CD2-CB 4.35Å; F423-H426 AromaticContact CE2-CD2 3.81Å; F423-H426 AromaticContact CE2-CE1 3.5Å; F423-H426 AromaticContact CE2-ND1 3.95Å; F423-H426 AromaticContact CE2-NE2 3.42Å; F423-H426 WeakPolarHBondContact CE2-NE2 3.33Å; F423-H426 AromaticContact CZ-CD2 3.68Å; F423-H426 AromaticContact CZ-NE2 3.5Å; F423-H426 WeakPolarHBondContact CZ-NE2 3.46Å; H426-R513 PolarHBondContact CD2-NH2 2.87Å; H426-R513 PolarHBondContact CE1-NH2 2.97Å; H426-R513 PolarHBondContact ND1-NE 3.11Å; H426-R513 PolarHBondContact NE2-NH2 3.5Å; H426-F514 CarbonylContact C-O 3.58Å; H426-F514 VanDerWaalsContact CA-O 3.27Å; H426-F514 WeakPolarHBondContact CA-O 3.32Å; H426-T515 PolarHBondContact CE1-OG1 3.25Å; H426-T515 PolarHBondContact ND1-OG1 2.88Å
427	L	83.6	Confident	83	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.4	160	-56.8	173.5	0	0	0	108.5	L407 P409 F457 R513 F514 L516 L535 M582 I584	L407-L427 WeakPolarHBondContact O-CD2 3.3Å; P409-L427 HydrophobicContact CG-CD2 3.87Å; L427-F457 HydrophobicContact CD1-CD1 4.22Å; L427-F457 HydrophobicContact CD1-CE1 3.88Å; L427-R513 WeakPolarHBondContact O-CA 3.38Å; L427-F514 HydrophobicContact CB-CB 4.34Å; L427-F514 PolarHBondContact N-O 2.82Å; L427-F514 PolarHBondContact O-N 3.32Å; L427-L516 HydrophobicContact CB-CD1 4.41Å; L427-L516 HydrophobicContact CD1-CD1 3.87Å; L427-L516 HydrophobicContact CD1-CD2 4.03Å; L427-L516 HydrophobicContact CD2-CD2 4.32Å; L427-L516 HydrophobicContact CG-CD1 3.69Å; L427-L516 HydrophobicContact CG-CD2 3.94Å; L427-L516 HydrophobicContact CG-CG 4.49Å; L427-L535 HydrophobicContact CD1-CD2 3.96Å; L427-M582 HydrophobicContact CD1-CE 3.44Å; L427-M582 VanDerWaalsContact CD1-CE 3.44Å; L427-M582 HydrophobicContact CD2-CE 3.44Å; L427-M582 VanDerWaalsContact CD2-CE 3.44Å; L427-M582 HydrophobicContact CG-CE 3.96Å; L427-I584 HydrophobicContact CD1-CD1 3.8Å; L427-I584 HydrophobicContact CD2-CD1 4.26Å
428	L	83.7	Confident	82.7	Confident	30 Å²	30	47.2 Å²	47.2	16%	0.157	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123	173.3	-170.3	67.3	0	0	0	107.8	F405 L406 L407 Y511	F405-L428 CarbonylContact C-O 3.19Å; L406-L428 HydrophobicContact CB-CB 4.4Å; L406-L428 HydrophobicContact CB-CD2 4.17Å; L406-L428 HydrophobicContact CB-CG 4.37Å; L406-L428 HydrophobicContact CD1-CD2 4.07Å; L406-L428 HydrophobicContact CD1-CG 4.43Å; L406-L428 PolarHBondContact N-O 2.81Å; L407-L428 HydrophobicContact CB-CB 3.75Å; L407-L428 PolarHBondContact N-O 2.72Å; L428-Y511 HydrophobicContact CD1-CD1 4.02Å; L428-Y511 HydrophobicContact CD1-CG 4.42Å; L428-Y511 HydrophobicContact CD2-CD1 4.03Å; L428-Y511 HydrophobicContact CD2-CE1 4.4Å; L428-Y511 HydrophobicContact CG-CD1 4.1Å
429	I	84	Confident	82.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.2	-180	-41.5	-179.5	0	0	0	107.1	P403 E404 F405 V441 C443 Q512 F514 L535	P403-I429 HydrophobicContact CB-CG2 4.19Å; E404-I429 WeakPolarHBondContact O-CA 3.23Å; F405-I429 HydrophobicContact CD1-CD1 3.92Å; F405-I429 HydrophobicContact CD1-CG1 3.77Å; F405-I429 HydrophobicContact CD1-CG2 4.46Å; F405-I429 HydrophobicContact CE1-CD1 3.53Å; F405-I429 HydrophobicContact CE1-CG1 3.93Å; F405-I429 HydrophobicContact CZ-CD1 4.46Å; I429-V441 HydrophobicContact CG2-CG1 4.19Å; I429-V441 HydrophobicContact CG2-CG2 4.47Å; I429-C443 VanDerWaalsContact CD1-SG 3.51Å; I429-Q512 HydrophobicContact CB-CB 4.48Å; I429-Q512 PolarHBondContact N-O 3.12Å; I429-Q512 PolarHBondContact O-N 3.37Å; I429-F514 HydrophobicContact CD1-CD2 3.82Å; I429-F514 HydrophobicContact CD1-CE2 3.82Å; I429-F514 HydrophobicContact CG1-CD2 4.46Å; I429-L535 HydrophobicContact CD1-CD2 4.11Å
430	I	84.8	Confident	81.8	Confident	10 Å²	10	44 Å²	44	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.5	173.1	-164.3	169.5	0	0	0	108.2	P403 E404 L406 H509 Y511	P403-I430 CarbonylContact C-O 3.53Å; P403-I430 WeakPolarHBondContact CA-O 3.34Å; E404-I430 HydrophobicContact CB-CG2 3.85Å; E404-I430 HydrophobicContact CG-CG2 4.43Å; E404-I430 PolarHBondContact N-O 2.79Å; E404-I430 PolarHBondContact O-N 2.86Å; L406-I430 HydrophobicContact CD1-CB 3.78Å; L406-I430 HydrophobicContact CD1-CD1 4.14Å; L406-I430 HydrophobicContact CD1-CG2 3.72Å; L406-I430 HydrophobicContact CD2-CG2 4Å; L406-I430 HydrophobicContact CG-CB 4.18Å; L406-I430 HydrophobicContact CG-CG2 3.66Å; I430-H509 HydrophobicContact CD1-CB 4.13Å; I430-Y511 HydrophobicContact CB-CD1 4.46Å; I430-Y511 HydrophobicContact CD1-CD1 4.23Å; I430-Y511 HydrophobicContact CD1-CE1 3.69Å; I430-Y511 HydrophobicContact CG1-CD1 4.41Å; I430-Y511 HydrophobicContact CG1-CE1 4.35Å
431	D	86.2	Confident	81.7	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.186	C	C	.	.			trans	-122	151	149.9	-141.4	-43.9	0	0	0	108.1	R402 P403 V441	R402-D431 VanDerWaalsContact C-OD2 3.31Å; P403-D431 WeakPolarHBondContact CD-OD2 3.46Å; P403-D431 VanDerWaalsContact CG-OD2 3.25Å; P403-D431 WeakPolarHBondContact CG-OD2 3.15Å; D431-V441 HydrophobicContact CB-CG2 3.72Å
432	R	85.2	Confident	81.5	Confident	100 Å²	100	34.4 Å²	34.4	38%	0.377	17%	0.17	S	C	.	.			trans	-99.7	-34.5	-171.1	-59.9	-178.5	-177.3	-179.3	-0.3	111.7	E369 E401 E404	E369-R432 HydrophobicContact CG-CB 3.83Å; E401-R432 HydrophobicContact CB-CB 4.12Å; E401-R432 HydrophobicContact CG-CB 4.12Å; E401-R432 IonicContact OE1-CZ 2.61Å; E401-R432 IonicContact OE1-NH1 3.13Å; E401-R432 PolarHBondContact OE1-NH1 2.94Å; E404-R432 IonicContact OE1-NH2 3.56Å; E404-R432 IonicContact OE2-CZ 2.65Å; E404-R432 IonicContact OE2-NE 3.43Å; E404-R432 PolarHBondContact OE2-NE 3.08Å; E404-R432 IonicContact OE2-NH2 2.8Å; E404-R432 PolarHBondContact OE2-NH2 2.8Å
433	D	86.4	Confident	81.3	Confident	2 Å²	2	34 Å²	34	1%	0.011	17%	0.168	C	C	.	.	S	Bend	trans	-34	154.1	161.1	-82.5	12.4	0	0	0	113.6	E369 N399 E401 N438 G439	E369-D433 WeakPolarHBondContact OE1-CA 3.5Å; E369-D433 PolarHBondContact OE1-N 2.76Å; N399-D433 WeakPolarHBondContact CA-OD2 3.03Å; N399-D433 PolarHBondContact ND2-OD2 2.78Å; E401-D433 WeakPolarHBondContact CB-OD1 3.4Å; E401-D433 PolarHBondContact N-OD1 2.84Å; E401-D433 VanDerWaalsContact N-OD1 3.15Å; D433-N438 HydrophobicContact CB-CB 3.75Å; D433-N438 WeakPolarHBondContact OD2-CB 3.41Å; D433-G439 WeakPolarHBondContact O-CA 3.44Å
434	S	80.1	Confident	80.8	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.049	18%	0.176	C	C	.	.			trans	-62.7	123.3	-171.5	-167.4	0	0	0	0	113.2	Y368 D397 Q436 V437 N438 G439	Y368-S434 PolarHBondContact OH-OG 2.56Å; D397-S434 WeakPolarHBondContact OD1-CB 3.34Å; D397-S434 PolarHBondContact OD1-N 3.33Å; D397-S434 VanDerWaalsContact OD2-CB 3.25Å; D397-S434 WeakPolarHBondContact OD2-CB 3.36Å; S434-Q436 PolarHBondContact O-N 2.95Å; S434-Q436 PolarHBondContact OG-OE1 3.38Å; S434-Q436 VanDerWaalsContact OG-OE1 3.09Å; S434-V437 PolarHBondContact O-N 3.21Å; S434-V437 VanDerWaalsContact O-N 3.12Å; S434-N438 PolarHBondContact O-N 2.81Å; S434-N438 VanDerWaalsContact O-N 3.13Å; S434-G439 PolarHBondContact O-N 3.13Å
435	P	70.3	Confident	80.3	Confident	35 Å²	35	35.9 Å²	35.9	23%	0.227	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.5	-166.9	25.6	-34.7	0	0	0	114.8	Q440 V510	P435-Q440 VanDerWaalsContact O-CG 3.27Å; P435-Q440 WeakPolarHBondContact O-CG 3.44Å; P435-Q440 PolarHBondContact O-NE2 3.18Å; P435-V510 HydrophobicContact CB-CB 4.07Å; P435-V510 HydrophobicContact CB-CG2 3.43Å; P435-V510 VanDerWaalsContact CB-CG2 3.43Å; P435-V510 HydrophobicContact CG-CG2 4.38Å
436	Q	67.6	Low	79.6	Confident	132 Å²	132	36.8 Å²	36.8	62%	0.617	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.7	175.1	-65.9	80	16.7	0	0	113.5	S434 Q440	S434-Q436 PolarHBondContact O-N 2.95Å; S434-Q436 PolarHBondContact OG-OE1 3.38Å; S434-Q436 VanDerWaalsContact OG-OE1 3.09Å; Q436-Q440 PolarHBondContact O-NE2 2.89Å
437	V	71.9	Confident	78.8	Confident	63 Å²	63	40.5 Å²	40.5	38%	0.382	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.2	-67.5	-175.8	-171.2	0	0	0	0	112.2	S434 I541	S434-V437 PolarHBondContact O-N 3.21Å; S434-V437 VanDerWaalsContact O-N 3.12Å; V437-I541 HydrophobicContact CG1-CD1 4.11Å; V437-I541 HydrophobicContact CG1-CG1 4.5Å
438	N	80.5	Confident	77.9	Confident	22 Å²	22	48 Å²	48	12%	0.118	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-49.2	-167.6	-61.9	-16.8	0	0	0	110.4	D397 N399 D433 S434 Q440 G540	D397-N438 WeakPolarHBondContact OD1-CB 3.49Å; D397-N438 PolarHBondContact OD1-ND2 3.5Å; D397-N438 PolarHBondContact OD2-ND2 2.83Å; N399-N438 HydrophobicContact CB-CB 3.98Å; N399-N438 PolarHBondContact N-ND2 3.29Å; D433-N438 HydrophobicContact CB-CB 3.75Å; D433-N438 WeakPolarHBondContact OD2-CB 3.41Å; S434-N438 PolarHBondContact O-N 2.81Å; S434-N438 VanDerWaalsContact O-N 3.13Å; N438-Q440 PolarHBondContact O-N 2.91Å; N438-G540 WeakPolarHBondContact O-CA 3.29Å; N438-G540 PolarHBondContact O-N 2.98Å
439	G	77.2	Confident	76.8	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	-70.2	20.6	-178.3	0	0	0	0	0	116.6	D433 S434 V441	D433-G439 WeakPolarHBondContact O-CA 3.44Å; S434-G439 PolarHBondContact O-N 3.13Å; G439-V441 PolarHBondContact O-N 2.87Å
440	Q	76.3	Confident	75.5	Confident	77 Å²	77	54 Å²	54	36%	0.36	28%	0.276	S	S	.	.			trans	-89	82.7	175.2	-65.8	-166.1	6.1	0	0	111.2	P435 Q436 N438 H442	P435-Q440 VanDerWaalsContact O-CG 3.27Å; P435-Q440 WeakPolarHBondContact O-CG 3.44Å; P435-Q440 PolarHBondContact O-NE2 3.18Å; Q436-Q440 PolarHBondContact O-NE2 2.89Å; N438-Q440 PolarHBondContact O-N 2.91Å; Q440-H442 PolarHBondContact O-CE1 3.11Å; Q440-H442 PolarHBondContact O-N 3.07Å; Q440-H442 PolarHBondContact O-ND1 2.86Å
441	V	80.3	Confident	74.2	Confident	4 Å²	4	65 Å²	65	2%	0.024	32%	0.317	C	S	.	.			trans	-57.2	128.2	175.2	-171.3	0	0	0	0	111.3	P403 I429 D431 G439 C443 Q512 C537 W538	P403-V441 HydrophobicContact CB-CG1 4.14Å; P403-V441 HydrophobicContact CB-CG2 4.15Å; P403-V441 HydrophobicContact CG-CG1 4.33Å; P403-V441 HydrophobicContact CG-CG2 4.28Å; I429-V441 HydrophobicContact CG2-CG1 4.19Å; I429-V441 HydrophobicContact CG2-CG2 4.47Å; D431-V441 HydrophobicContact CB-CG2 3.72Å; G439-V441 PolarHBondContact O-N 2.87Å; V441-C443 VanDerWaalsContact CG1-SG 3.57Å; V441-Q512 PolarHBondContact O-NE2 3.22Å; V441-Q512 PolarHBondContact O-OE1 3.15Å; V441-C537 HydrophobicContact CG1-CB 4.16Å; V441-W538 CarbonylContact C-O 3.21Å; V441-W538 WeakPolarHBondContact CA-O 3.17Å
442	H	82	Confident	72.9	Confident	61 Å²	61	71.8 Å²	71.8	28%	0.282	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132	163.9	-65.7	78.7	0	0	0	107.8	Q440 C537 W538 G540	Q440-H442 PolarHBondContact O-CE1 3.11Å; Q440-H442 PolarHBondContact O-N 3.07Å; Q440-H442 PolarHBondContact O-ND1 2.86Å; H442-C537 CarbonylContact O-C 3.54Å; H442-C537 VanDerWaalsContact O-CA 3.27Å; H442-C537 WeakPolarHBondContact O-CA 3.21Å; H442-W538 HydrophobicContact CB-CD2 4.01Å; H442-W538 HydrophobicContact CB-CG 4.46Å; H442-W538 HydrophobicContact CB-CH2 4.35Å; H442-W538 HydrophobicContact CB-CZ2 3.73Å; H442-W538 PolarHBondContact N-O 3.02Å; H442-W538 PolarHBondContact O-N 3.13Å; H442-G540 PolarHBondContact CE1-O 3.24Å; H442-G540 VanDerWaalsContact CE1-O 3.25Å; H442-G540 PolarHBondContact ND1-O 3.35Å
443	C	84.3	Confident	72	Confident	21 Å²	21	67.4 Å²	67.4	14%	0.142	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.9	171.3	-55.4	0	0	0	0	110	I429 V441 F514 L535 Y536 C537	I429-C443 VanDerWaalsContact CD1-SG 3.51Å; V441-C443 VanDerWaalsContact CG1-SG 3.57Å; C443-F514 HydrophobicContact CB-CE2 4.09Å; C443-F514 HydrophobicContact CB-CZ 3.72Å; C443-L535 HydrophobicContact CB-CD1 3.97Å; C443-L535 HydrophobicContact CB-CD2 4.36Å; C443-L535 HydrophobicContact CB-CG 4.13Å; C443-Y536 CarbonylContact C-O 3.49Å; C443-Y536 VanDerWaalsContact CA-O 3.28Å; C443-Y536 WeakPolarHBondContact CA-O 3.27Å; C443-C537 HydrophobicContact CB-CB 4.08Å; C443-C537 WeakPolarHBondContact CB-SG 3.38Å; C443-C537 WeakPolarHBondContact SG-CB 3.5Å; C443-C537 CovalentContact SG-SG 2.04Å; C443-C537 PolarHBondContact SG-SG 3.18Å
444	E	78.5	Confident	71.6	Confident	126 Å²	126	67.7 Å²	67.7	59%	0.589	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.4	172.1	-74.3	-175.4	-178.1	0	0	111	Y536 W538	E444-Y536 PolarHBondContact N-O 2.77Å; E444-Y536 PolarHBondContact O-N 3.05Å; E444-Y536 VanDerWaalsContact O-N 3.15Å; E444-W538 HydrophobicContact CB-CH2 3.97Å; E444-W538 HydrophobicContact CB-CZ3 3.94Å; E444-W538 HydrophobicContact CG-CH2 3.69Å; E444-W538 HydrophobicContact CG-CZ3 4.16Å
445	E	76.5	Confident	71.7	Confident	31 Å²	31	67.4 Å²	67.4	15%	0.145	34%	0.337	C	S	.	.			trans	-77.3	133.2	164.6	-65.2	-179	-142.9	0	0	109.1	S447 I450 Q453 F457	E445-S447 PolarHBondContact O-N 2.9Å; E445-S447 VanDerWaalsContact O-N 3.11Å; E445-I450 HydrophobicContact CB-CD1 4.32Å; E445-I450 HydrophobicContact CB-CG1 3.81Å; E445-Q453 VanDerWaalsContact CG-NE2 3.33Å; E445-Q453 VanDerWaalsContact OE2-CG 3.26Å; E445-Q453 WeakPolarHBondContact OE2-CG 3.4Å; E445-Q453 PolarHBondContact OE2-NE2 3.08Å; E445-F457 HydrophobicContact CG-CD2 3.9Å; E445-F457 HydrophobicContact CG-CE2 4.46Å; E445-F457 WeakPolarHBondContact OE1-CD2 3.33Å
446	P	71.4	Confident	72.2	Confident	28 Å²	28	68 Å²	68	18%	0.182	34%	0.338	C	S	.	.			trans	-55.4	121.6	178.8	-26.8	34.9	0	0	0	111.6	H448 L449 I450 I534	P446-H448 PolarHBondContact O-N 2.98Å; P446-L449 HydrophobicContact CB-CD1 4.04Å; P446-L449 HydrophobicContact CB-CG 4.21Å; P446-L449 HydrophobicContact CG-CD1 4.11Å; P446-L449 WeakPolarHBondContact O-CA 3.38Å; P446-L449 WeakPolarHBondContact O-CB 3.42Å; P446-L449 PolarHBondContact O-N 2.82Å; P446-I450 PolarHBondContact O-N 2.95Å; P446-I534 WeakPolarHBondContact CD-O 3.26Å
447	S	63.9	Low	72.9	Confident	96 Å²	96	62.6 Å²	62.6	67%	0.671	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.7	-166.2	57.8	0	0	0	0	115.8	E445	E445-S447 PolarHBondContact O-N 2.9Å; E445-S447 VanDerWaalsContact O-N 3.11Å
448	H	64.4	Low	73.4	Confident	156 Å²	156	62.2 Å²	62.2	72%	0.722	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-12.2	176	27.6	-77.9	0	0	0	113.5	P446	P446-H448 PolarHBondContact O-N 2.98Å
449	L	61	Low	73.4	Confident	69 Å²	69	66.5 Å²	66.5	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-30.7	173.9	-58.9	179.4	0	0	0	112.9	P446 R451 N452 Q453	P446-L449 HydrophobicContact CB-CD1 4.04Å; P446-L449 HydrophobicContact CB-CG 4.21Å; P446-L449 HydrophobicContact CG-CD1 4.11Å; P446-L449 WeakPolarHBondContact O-CA 3.38Å; P446-L449 WeakPolarHBondContact O-CB 3.42Å; P446-L449 PolarHBondContact O-N 2.82Å; L449-R451 PolarHBondContact O-N 2.82Å; L449-N452 CarbonylContact O-C 3.59Å; L449-N452 PolarHBondContact O-N 3.02Å; L449-Q453 HydrophobicContact CB-CG 4Å; L449-Q453 WeakPolarHBondContact O-CG 3.19Å; L449-Q453 PolarHBondContact O-N 2.83Å; L449-Q453 VanDerWaalsContact O-N 3.08Å
450	I	58	Low	73	Confident	88 Å²	88	69.3 Å²	69.3	45%	0.451	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-42.7	-40.3	-173.4	-66.9	179.6	0	0	0	114.2	E445 P446 N452 Q453	E445-I450 HydrophobicContact CB-CD1 4.32Å; E445-I450 HydrophobicContact CB-CG1 3.81Å; P446-I450 PolarHBondContact O-N 2.95Å; I450-N452 PolarHBondContact O-N 2.88Å; I450-Q453 PolarHBondContact O-N 3.42Å
451	R	55.7	Low	72.1	Confident	240 Å²	240	72 Å²	72	91%	0.906	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-65.5	-24.7	-178.1	-111.7	-172.9	-173	-148.3	1	114.9	L449	L449-R451 PolarHBondContact O-N 2.82Å
452	N	60.2	Low	70.7	Confident	147 Å²	147	76.8 Å²	76.8	79%	0.786	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-124.8	15.4	-176.8	-64.7	19.8	0	0	0	111.5	L449 I450	L449-N452 CarbonylContact O-C 3.59Å; L449-N452 PolarHBondContact O-N 3.02Å; I450-N452 PolarHBondContact O-N 2.88Å
453	Q	65	Low	68.8	Low	9 Å²	9	78.5 Å²	78.5	4%	0.042	40%	0.4	C	S	.	.			trans	-66.9	134.6	178.2	-84.6	-103.9	66.9	0	0	110.7	E445 L449 I450	E445-Q453 VanDerWaalsContact CG-NE2 3.33Å; E445-Q453 VanDerWaalsContact OE2-CG 3.26Å; E445-Q453 WeakPolarHBondContact OE2-CG 3.4Å; E445-Q453 PolarHBondContact OE2-NE2 3.08Å; L449-Q453 HydrophobicContact CB-CG 4Å; L449-Q453 WeakPolarHBondContact O-CG 3.19Å; L449-Q453 PolarHBondContact O-N 2.83Å; L449-Q453 VanDerWaalsContact O-N 3.08Å; I450-Q453 PolarHBondContact O-N 3.42Å
454	P	77.9	Confident	66.9	Low	7 Å²	7	81.5 Å²	81.5	5%	0.045	41%	0.414	C	S	.	.	S	Bend	trans	-79.6	-40.4	-179.6	30	-32.3	0	0	0	111.7	Q519 Y522 Y531 A533	P454-Q519 VanDerWaalsContact O-CB 3.23Å; P454-Q519 WeakPolarHBondContact O-CB 3.46Å; P454-Q519 PolarHBondContact O-N 2.83Å; P454-Y522 HydrophobicContact CB-CE1 4.17Å; P454-Y522 WeakPolarHBondContact CB-OH 3.44Å; P454-Y522 PolarHBondContact O-OH 2.85Å; P454-Y531 HydrophobicContact CB-CD1 3.54Å; P454-Y531 HydrophobicContact CB-CE1 4.29Å; P454-Y531 HydrophobicContact CB-CG 3.76Å; P454-Y531 HydrophobicContact CG-CD1 4.03Å; P454-Y531 HydrophobicContact CG-CG 4.24Å; P454-A533 HydrophobicContact CG-CB 4.35Å
455	I	82.3	Confident	64.9	Low	1 Å²	1	82 Å²	82	1%	0.005	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.5	-178.6	-60.8	177.2	0	0	0	108.9	L412 I424 F457 L516 Y517 A533 I584 L586	L412-I455 HydrophobicContact CD1-CD1 4.38Å; I424-I455 HydrophobicContact CD1-CG1 4.11Å; I455-F457 HydrophobicContact CB-CD2 4.38Å; I455-F457 HydrophobicContact CB-CE2 3.8Å; I455-F457 HydrophobicContact CB-CZ 4.18Å; I455-F457 HydrophobicContact CG2-CD2 3.97Å; I455-F457 HydrophobicContact CG2-CE1 4.31Å; I455-F457 HydrophobicContact CG2-CE2 3.7Å; I455-F457 HydrophobicContact CG2-CG 4.39Å; I455-F457 HydrophobicContact CG2-CZ 3.89Å; I455-F457 WeakPolarHBondContact O-CD2 3.47Å; I455-L516 HydrophobicContact CD1-CD2 4.46Å; I455-L516 HydrophobicContact CG2-CB 3.75Å; I455-L516 HydrophobicContact CG2-CD2 4.04Å; I455-L516 HydrophobicContact CG2-CG 3.67Å; I455-Y517 WeakPolarHBondContact CA-O 3.48Å; I455-A533 HydrophobicContact CB-CB 4.28Å; I455-A533 HydrophobicContact CD1-CB 3.92Å; I455-A533 HydrophobicContact CG1-CB 4.28Å; I455-I584 HydrophobicContact CD1-CG2 4.3Å; I455-L586 HydrophobicContact CD1-CB 4.26Å; I455-L586 HydrophobicContact CD1-CD2 4.44Å; I455-L586 HydrophobicContact CG1-CD2 4.11Å
456	L	82.4	Confident	62.8	Low	48 Å²	48	86.8 Å²	86.8	25%	0.251	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.6	166.8	175.9	66.2	0	0	0	109.2	V458 Y517 Q519	L456-V458 HydrophobicContact CD2-CG2 4.21Å; L456-V458 HydrophobicContact CG-CG2 4.11Å; L456-Y517 PolarHBondContact N-O 2.87Å; L456-Y517 PolarHBondContact O-N 2.98Å; L456-Q519 HydrophobicContact CB-CB 4.36Å
457	F	82	Confident	60.9	Low	19 Å²	19	94.2 Å²	94.2	8%	0.083	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.4	-179.9	-66.1	-100.9	0	0	0	111	L427 E445 I455 F514 L516 A533 L535 I584	L427-F457 HydrophobicContact CD1-CD1 4.22Å; L427-F457 HydrophobicContact CD1-CE1 3.88Å; E445-F457 HydrophobicContact CG-CD2 3.9Å; E445-F457 HydrophobicContact CG-CE2 4.46Å; E445-F457 WeakPolarHBondContact OE1-CD2 3.33Å; I455-F457 HydrophobicContact CB-CD2 4.38Å; I455-F457 HydrophobicContact CB-CE2 3.8Å; I455-F457 HydrophobicContact CB-CZ 4.18Å; I455-F457 HydrophobicContact CG2-CD2 3.97Å; I455-F457 HydrophobicContact CG2-CE1 4.31Å; I455-F457 HydrophobicContact CG2-CE2 3.7Å; I455-F457 HydrophobicContact CG2-CG 4.39Å; I455-F457 HydrophobicContact CG2-CZ 3.89Å; I455-F457 WeakPolarHBondContact O-CD2 3.47Å; F457-F514 HydrophobicContact CB-CD1 4.11Å; F457-L516 HydrophobicContact CD1-CD1 3.95Å; F457-L516 HydrophobicContact CD1-CD2 4.42Å; F457-L516 HydrophobicContact CD1-CG 3.96Å; F457-L516 HydrophobicContact CE1-CD1 4.3Å; F457-L516 HydrophobicContact CE1-CD2 3.97Å; F457-L516 HydrophobicContact CE1-CG 4.01Å; F457-A533 HydrophobicContact CE2-CB 4.05Å; F457-A533 HydrophobicContact CZ-CB 3.9Å; F457-L535 HydrophobicContact CD1-CD1 4.13Å; F457-L535 HydrophobicContact CD1-CD2 4.01Å; F457-L535 HydrophobicContact CD1-CG 4.49Å; F457-L535 HydrophobicContact CE1-CB 4.14Å; F457-L535 HydrophobicContact CE1-CD1 4.44Å; F457-L535 HydrophobicContact CE1-CD2 4.13Å; F457-L535 HydrophobicContact CE1-CG 4.48Å; F457-L535 HydrophobicContact CG-CD1 4.31Å; F457-L535 HydrophobicContact CZ-CB 4.44Å; F457-I584 HydrophobicContact CE1-CD1 3.76Å; F457-I584 HydrophobicContact CZ-CD1 3.93Å
458	V	82.5	Confident	59.3	Low	55 Å²	55	97.6 Å²	97.6	33%	0.333	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.1	178.3	179.5	0	0	0	0	110	L456 F514 T515 Y517	L456-V458 HydrophobicContact CD2-CG2 4.21Å; L456-V458 HydrophobicContact CG-CG2 4.11Å; V458-F514 CarbonylContact O-C 3.36Å; V458-F514 WeakPolarHBondContact O-CA 3.3Å; V458-T515 PolarHBondContact N-O 2.93Å; V458-T515 PolarHBondContact O-N 3.09Å; V458-Y517 HydrophobicContact CB-CD2 4.17Å; V458-Y517 HydrophobicContact CB-CE2 3.99Å; V458-Y517 HydrophobicContact CG2-CD2 3.64Å; V458-Y517 HydrophobicContact CG2-CE2 3.81Å
459	K	79.1	Confident	57.6	Low	112 Å²	112	97.9 Å²	97.9	49%	0.487	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126	171.5	-179.3	168.2	174.7	159.4	0	110.2	Q512 F514	K459-Q512 HydrophobicContact CD-CG 4.3Å; K459-Q512 HydrophobicContact CG-CG 4.35Å; K459-F514 HydrophobicContact CB-CD1 4.07Å; K459-F514 HydrophobicContact CB-CE1 3.66Å; K459-F514 HydrophobicContact CB-CZ 4.1Å; K459-F514 HydrophobicContact CD-CZ 4.24Å; K459-F514 HydrophobicContact CG-CE1 4.34Å; K459-F514 HydrophobicContact CG-CZ 4.29Å
460	E	70.2	Confident	56.1	Low	60 Å²	60	98.9 Å²	98.9	28%	0.28	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138	174.3	-70.7	-175.8	178.8	0	0	111.4	F462 R513 T515	E460-F462 PolarHBondContact O-N 3.15Å; E460-R513 HydrophobicContact CB-CB 4.42Å; E460-R513 PolarHBondContact N-O 3.32Å; E460-R513 VanDerWaalsContact OE2-CD 3.23Å; E460-R513 WeakPolarHBondContact OE2-CD 3.34Å; E460-R513 IonicContact OE2-CZ 2.7Å; E460-R513 IonicContact OE2-NE 3.15Å; E460-R513 PolarHBondContact OE2-NE 3.31Å; E460-R513 IonicContact OE2-NH1 2.67Å; E460-T515 WeakPolarHBondContact OE1-CB 3.27Å; E460-T515 PolarHBondContact OE1-OG1 3.28Å
461	S	55.9	Low	54.8	Low	133 Å²	133	103.3 Å²	103.3	93%	0.93	51%	0.514	S	S	*	.			trans	-84.3	99.3	167.3	-58.4	0	0	0	0	109
462	F	51	Low	53.4	Low	106 Å²	106	98.7 Å²	98.7	47%	0.465	51%	0.507	S	S	.	.			trans	-101.3	114.5	179.4	-166.9	-101.4	0	0	0	110.8	E460 L464	E460-F462 PolarHBondContact O-N 3.15Å; F462-L464 HydrophobicContact CD1-CG 4.22Å; F462-L464 HydrophobicContact CE1-CD2 3.96Å; F462-L464 HydrophobicContact CE1-CG 4.03Å
463	D	42.5	Very low	52.2	Low	96 Å²	96	99.2 Å²	99.2	51%	0.513	50%	0.504	S	S	.	.			trans	-92.3	115	167.7	-167.9	-33.2	0	0	0	108.5	N465 E466	D463-N465 PolarHBondContact O-N 2.75Å; D463-N465 PolarHBondContact OD1-N 3.31Å; D463-N465 VanDerWaalsContact OD1-N 3.11Å; D463-N465 PolarHBondContact OD1-ND2 3.07Å; D463-E466 PolarHBondContact O-N 3.4Å; D463-E466 VanDerWaalsContact O-N 3.15Å
464	L	44.6	Very low	50.5	Low	85 Å²	85	105.9 Å²	105.9	45%	0.445	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-12.7	-175.9	-101.3	163.5	0	0	0	114.2	F462 Y511	F462-L464 HydrophobicContact CD1-CG 4.22Å; F462-L464 HydrophobicContact CE1-CD2 3.96Å; F462-L464 HydrophobicContact CE1-CG 4.03Å; L464-Y511 HydrophobicContact CD1-CD2 3.96Å; L464-Y511 HydrophobicContact CD1-CE2 4.25Å
465	N	36.1	Very low	48.4	Very low	137 Å²	137	110.2 Å²	110.2	73%	0.733	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-5.7	-178.6	-59.2	-77.9	0	0	0	114.3	D463	D463-N465 PolarHBondContact O-N 2.75Å; D463-N465 PolarHBondContact OD1-N 3.31Å; D463-N465 VanDerWaalsContact OD1-N 3.11Å; D463-N465 PolarHBondContact OD1-ND2 3.07Å
466	E	33	Very low	46.1	Very low	131 Å²	131	120.1 Å²	120.1	61%	0.612	60%	0.602	S	S	*	*	S	Bend	trans	-99.6	134.7	179.4	-80.6	-140.4	168.4	0	0	113.9	D463	D463-E466 PolarHBondContact O-N 3.4Å; D463-E466 VanDerWaalsContact O-N 3.15Å
467	R	32.1	Very low	43.8	Very low	184 Å²	184	126.5 Å²	126.5	69%	0.694	62%	0.624	S	S	*	*			trans	75.5	64.3	165	-55.5	-177.8	-166	-157.6	3.8	118.8
468	I	29.5	Very low	41.6	Very low	166 Å²	166	128.7 Å²	128.7	85%	0.851	63%	0.632	S	S	*	*	S	Bend		-69.2	135.6	116.2	-54.5	176.8	0	0	0	106.7
469	L	27.8	Very low	39.1	Very low	162 Å²	162	129.5 Å²	129.5	85%	0.848	64%	0.64	S	S	*	*			trans	88	67.4	-175.9	-52.8	166.1	0	0	0	118
470	S	31.1	Very low	36.8	Very low	90 Å²	90	128 Å²	128	63%	0.629	64%	0.64	S	S	*	*			trans	-146.2	130	137.9	54.2	0	0	0	0	110.5
471	Q	28.9	Very low	35	Very low	181 Å²	181	128.3 Å²	128.3	85%	0.846	64%	0.643	S	S	*	*			trans	-90.1	160.3	-173.1	-66.4	176.5	-52.4	0	0	113
472	N	27.6	Very low	33.9	Very low	143 Å²	143	126.6 Å²	126.6	77%	0.765	62%	0.619	S	S	*	*			trans	95.4	139.4	170.7	-51.2	-29.7	0	0	0	116.7
473	H	33.6	Very low	33	Very low	158 Å²	158	124.7 Å²	124.7	73%	0.731	62%	0.62	S	S	*	*	S	Bend	trans	78.8	87.7	173.8	-56.1	-73.1	0	0	0	119	D475	H473-D475 PolarHBondContact O-N 2.04Å
474	N	30.4	Very low	32.5	Very low	150 Å²	150	124.7 Å²	124.7	80%	0.802	62%	0.623	S	S	*	*				56.5	1.8	129.8	-64.6	16	0	0	0	123.3	Y476	N474-Y476 PolarHBondContact O-N 3.29Å
475	D	34.4	Very low	32.1	Very low	98 Å²	98	125.1 Å²	125.1	52%	0.524	63%	0.625	S	S	.	*			trans	-74	53.9	176.8	-86.7	-29.2	0	0	0	114.8	H473 Y477 Y478	H473-D475 PolarHBondContact O-N 2.04Å; D475-Y477 PolarHBondContact O-N 2.89Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; D475-Y478 HydrophobicContact CB-CD2 4.11Å
476	Y	32.4	Very low	31.9	Very low	208 Å²	208	123.5 Å²	123.5	82%	0.816	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-5.1	-179.9	-105.4	-83.9	0	0	0	114.9	N474	N474-Y476 PolarHBondContact O-N 3.29Å
477	Y	34.8	Very low	31.6	Very low	183 Å²	183	121.1 Å²	121.1	72%	0.718	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-17.4	-177.9	-127	-89.9	0	0	0	114.4	D475 T480	D475-Y477 PolarHBondContact O-N 2.89Å; D475-Y477 VanDerWaalsContact O-N 3.16Å; Y477-T480 PolarHBondContact O-OG1 3.48Å
478	Y	35.4	Very low	31.4	Very low	64 Å²	64	118.5 Å²	118.5	25%	0.251	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93	-25.1	-174.3	-71.1	-77	0	0	0	113.9	L407 D475 T480 I481 F482	L407-Y478 HydrophobicContact CD2-CE1 4.17Å; D475-Y478 HydrophobicContact CB-CD2 4.11Å; Y478-T480 PolarHBondContact O-N 3.45Å; Y478-I481 PolarHBondContact O-N 2.93Å; Y478-F482 PolarHBondContact O-N 3.08Å
479	S	31.2	Very low	31.2	Very low	72 Å²	72	116 Å²	116	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-65.1	-24.9	-178	57.7	0	0	0	0	114	S483	S479-S483 WeakPolarHBondContact O-CB 3.2Å; S479-S483 PolarHBondContact O-N 3.39Å; S479-S483 PolarHBondContact O-OG 2.88Å
480	T	29.9	Very low	31.2	Very low	80 Å²	80	114 Å²	114	49%	0.491	62%	0.624	S	S	.	*	H	α-helix	trans	-79	-29.8	177.8	48.7	0	0	0	0	113.2	Y477 Y478 S483 T484	Y477-T480 PolarHBondContact O-OG1 3.48Å; Y478-T480 PolarHBondContact O-N 3.45Å; T480-S483 WeakPolarHBondContact CA-OG 3.46Å; T480-S483 PolarHBondContact O-OG 2.74Å; T480-T484 WeakPolarHBondContact O-CG2 3.49Å; T480-T484 PolarHBondContact O-N 3.39Å; T480-T484 PolarHBondContact O-OG1 2.98Å
481	I	33.3	Very low	31.2	Very low	67 Å²	67	115 Å²	115	34%	0.344	63%	0.63	S	S	.	*	H	α-helix	trans	-77.1	-49.9	-179.1	-59	176.6	0	0	0	109.8	Y478 S483 T484 I485	Y478-I481 PolarHBondContact O-N 2.93Å; I481-S483 VanDerWaalsContact C-N 3.29Å; I481-S483 PolarHBondContact O-N 2.87Å; I481-T484 PolarHBondContact O-N 3.29Å; I481-T484 PolarHBondContact O-OG1 2.81Å; I481-I485 HydrophobicContact CG2-CD1 4.04Å; I481-I485 WeakPolarHBondContact O-CG1 3.28Å; I481-I485 PolarHBondContact O-N 3.35Å
482	F	33.2	Very low	31.3	Very low	97 Å²	97	111.3 Å²	111.3	43%	0.425	63%	0.625	S	S	.	*	H	α-helix	trans	-68	-25.8	179.4	-73.2	-77.7	0	0	0	113.7	Y478 S486	Y478-F482 PolarHBondContact O-N 3.08Å; F482-S486 WeakPolarHBondContact O-CB 3.32Å; F482-S486 PolarHBondContact O-N 3.1Å; F482-S486 PolarHBondContact O-OG 3.33Å
483	S	31.3	Very low	31.5	Very low	67 Å²	67	110.6 Å²	110.6	47%	0.469	63%	0.626	S	S	.	*	H	α-helix	trans	-79.7	-29.1	174.8	52.7	0	0	0	0	114	S479 T480 I481 S487	S479-S483 WeakPolarHBondContact O-CB 3.2Å; S479-S483 PolarHBondContact O-N 3.39Å; S479-S483 PolarHBondContact O-OG 2.88Å; T480-S483 WeakPolarHBondContact CA-OG 3.46Å; T480-S483 PolarHBondContact O-OG 2.74Å; I481-S483 VanDerWaalsContact C-N 3.29Å; I481-S483 PolarHBondContact O-N 2.87Å; S483-S487 PolarHBondContact O-OG 3.14Å
484	T	31.3	Very low	31.3	Very low	95 Å²	95	108.1 Å²	108.1	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-77	-28.4	175.1	42.6	0	0	0	0	113.1	T480 I481 S486 S487	T480-T484 WeakPolarHBondContact O-CG2 3.49Å; T480-T484 PolarHBondContact O-N 3.39Å; T480-T484 PolarHBondContact O-OG1 2.98Å; I481-T484 PolarHBondContact O-N 3.29Å; I481-T484 PolarHBondContact O-OG1 2.81Å; T484-S486 VanDerWaalsContact C-N 3.33Å; T484-S487 PolarHBondContact O-OG 2.56Å
485	I	35.8	Very low	31.3	Very low	95 Å²	95	106.5 Å²	106.5	49%	0.487	63%	0.626	S	S	.	*	H	α-helix	trans	-75.4	-23.2	173.2	-63.5	168.1	0	0	0	111.7	I481	I481-I485 HydrophobicContact CG2-CD1 4.04Å; I481-I485 WeakPolarHBondContact O-CG1 3.28Å; I481-I485 PolarHBondContact O-N 3.35Å
486	S	32.1	Very low	31	Very low	102 Å²	102	107 Å²	107	71%	0.713	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	9.4	-174.3	-56.1	0	0	0	0	115.6	F482 T484	F482-S486 WeakPolarHBondContact O-CB 3.32Å; F482-S486 PolarHBondContact O-N 3.1Å; F482-S486 PolarHBondContact O-OG 3.33Å; T484-S486 VanDerWaalsContact C-N 3.33Å
487	S	26.7	Very low	30.9	Very low	82 Å²	82	102.1 Å²	102.1	57%	0.573	63%	0.634	S	S	*	*			trans	-122.3	13	-162.7	40.9	0	0	0	0	116.7	S483 T484	S483-S487 PolarHBondContact O-OG 3.14Å; T484-S487 PolarHBondContact O-OG 2.56Å
488	T	27.7	Very low	30.6	Very low	128 Å²	128	98.8 Å²	98.8	79%	0.785	64%	0.638	S	S	*	*	S	Bend	trans	-99.1	18.8	-172.9	46.4	0	0	0	0	116.7
489	S	26.6	Very low	30.2	Very low	113 Å²	113	101.9 Å²	101.9	79%	0.79	67%	0.665	S	S	*	*			trans	-157.7	79.8	171.6	65.6	0	0	0	0	116.3
490	S	28.1	Very low	29.9	Very low	122 Å²	122	103.6 Å²	103.6	85%	0.853	68%	0.677	S	S	*	*			trans	-161.7	118.3	155.2	62	0	0	0	0	114.6
491	S	30.5	Very low	29.7	Very low	109 Å²	109	105.1 Å²	105.1	76%	0.762	69%	0.691	S	S	*	*			trans	-149.5	107.3	161.1	61.1	0	0	0	0	111.5
492	S	30.5	Very low	29.4	Very low	105 Å²	105	109.2 Å²	109.2	73%	0.734	71%	0.713	S	S	*	*			trans	42.3	132.3	145.7	59.3	0	0	0	0	120.7
493	T	32.8	Very low	28.9	Very low	128 Å²	128	113 Å²	113	79%	0.785	74%	0.737	S	S	*	*			cis	-167.3	143.3	8.3	5.2	0	0	0	0	112.1
494	S	29	Very low	28.7	Very low	105 Å²	105	114.2 Å²	114.2	73%	0.734	75%	0.745	S	S	*	*			trans	5	128.7	153	59.5	0	0	0	0	121.2
495	S	30.4	Very low	28.5	Very low	116 Å²	116	115.9 Å²	115.9	81%	0.811	75%	0.751	S	S	*	*				-168.9	144.7	103	39.5	0	0	0	0	114.2
496	S	28.3	Very low	28.1	Very low	110 Å²	110	117.5 Å²	117.5	77%	0.769	77%	0.765	S	S	*	*			trans	-17.3	140.8	169.9	56.9	0	0	0	0	118.4
497	S	29.9	Very low	28.3	Very low	104 Å²	104	117.1 Å²	117.1	73%	0.727	75%	0.752	S	S	*	*				-172.6	159.9	50.8	52.8	0	0	0	0	115.2
498	S	28.2	Very low	29	Very low	114 Å²	114	116.8 Å²	116.8	80%	0.797	75%	0.747	S	S	*	*			trans	78	139.5	163.6	-43.4	0	0	0	0	117.6
499	P	26.8	Very low	30.1	Very low	128 Å²	128	114.6 Å²	114.6	83%	0.831	73%	0.727	S	S	*	*			trans	-124.5	132	-167	38.1	-21.4	0	0	0	116
500	S	24.8	Very low	31.7	Very low	108 Å²	108	112.5 Å²	112.5	76%	0.755	71%	0.709	S	S	*	*			trans	-162.4	141.6	160.4	51	0	0	0	0	112.2
501	S	26	Very low	33.6	Very low	113 Å²	113	109.6 Å²	109.6	79%	0.79	68%	0.68	S	S	*	*			trans	45.2	86.4	162.6	59.5	0	0	0	0	118.2
502	L	27	Very low	35.6	Very low	152 Å²	152	105.1 Å²	105.1	80%	0.796	65%	0.647	S	S	*	*			trans	-151.8	85.7	152.3	-111.9	165.5	0	0	0	109.4
503	L	23.5	Very low	38	Very low	178 Å²	178	103 Å²	103	93%	0.932	62%	0.623	S	S	*	*			trans	-87.8	98.4	152.6	-82.2	84.2	0	0	0	106
504	S	26.8	Very low	40.5	Very low	91 Å²	91	97.4 Å²	97.4	64%	0.636	59%	0.588	S	S	*	*			trans	-106.1	122	166.2	51.9	0	0	0	0	107.8	T506	S504-T506 PolarHBondContact O-N 2.89Å
505	N	27.7	Very low	43.1	Very low	131 Å²	131	92.4 Å²	92.4	70%	0.701	55%	0.553	S	S	*	*			trans	-55	129.9	-170.9	-56.3	-30.2	0	0	0	111.8	E507	N505-E507 HydrophobicContact CB-CG 4.06Å; N505-E507 PolarHBondContact O-N 3.23Å
506	T	27.2	Very low	45.9	Very low	129 Å²	129	86.9 Å²	86.9	79%	0.791	52%	0.515	S	S	*	.			trans	-74.8	102.9	153.1	48.6	0	0	0	0	107.1	S504 T508	S504-T506 PolarHBondContact O-N 2.89Å; T506-T508 PolarHBondContact O-N 3.39Å
507	E	35.9	Very low	48.8	Very low	93 Å²	93	84.9 Å²	84.9	44%	0.435	49%	0.491	S	S	.	.			trans	-72.8	94.3	-177.8	-77.1	169	174.1	0	0	110.4	N372 N505 H509	N372-E507 PolarHBondContact ND2-OE1 2.68Å; N505-E507 HydrophobicContact CB-CG 4.06Å; N505-E507 PolarHBondContact O-N 3.23Å; E507-H509 VanDerWaalsContact C-N 3.29Å; E507-H509 PolarHBondContact O-N 2.87Å; E507-H509 PolarHBondContact O-ND1 2.89Å
508	T	42.1	Very low	51.6	Low	75 Å²	75	80 Å²	80	46%	0.46	46%	0.456	S	S	.	.			trans	-65.9	88.8	172.4	52.8	0	0	0	0	109.1	T506 V510	T506-T508 PolarHBondContact O-N 3.39Å; T508-V510 PolarHBondContact O-N 2.55Å
509	H	50.9	Low	54.1	Low	82 Å²	82	78.1 Å²	78.1	38%	0.38	44%	0.435	S	S	.	.			trans	-52.1	130.8	171.6	-66.3	47.9	0	0	0	108.3	I430 E507 Y511	I430-H509 HydrophobicContact CD1-CB 4.13Å; E507-H509 VanDerWaalsContact C-N 3.29Å; E507-H509 PolarHBondContact O-N 2.87Å; E507-H509 PolarHBondContact O-ND1 2.89Å; H509-Y511 VanDerWaalsContact C-N 3.33Å; H509-Y511 HydrophobicContact CB-CD2 4.45Å; H509-Y511 HydrophobicContact CB-CE2 3.95Å; H509-Y511 WeakPolarHBondContact O-CD2 3.27Å; H509-Y511 PolarHBondContact O-N 3.07Å
510	V	59.3	Low	56.7	Low	69 Å²	69	76.1 Å²	76.1	42%	0.418	42%	0.417	S	S	.	.			trans	-86.5	79.1	-170.9	176.5	0	0	0	0	110	P435 T508 Q512	P435-V510 HydrophobicContact CB-CB 4.07Å; P435-V510 HydrophobicContact CB-CG2 3.43Å; P435-V510 VanDerWaalsContact CB-CG2 3.43Å; P435-V510 HydrophobicContact CG-CG2 4.38Å; T508-V510 PolarHBondContact O-N 2.55Å; V510-Q512 PolarHBondContact O-N 2.79Å
511	Y	67.6	Low	59.6	Low	62 Å²	62	76 Å²	76	24%	0.243	40%	0.403	C	S	.	.			trans	-58.9	128.8	171.5	-63.8	-89.2	0	0	0	111.1	L406 L428 I430 L464 H509	L406-Y511 HydrophobicContact CD1-CD1 4.11Å; L406-Y511 HydrophobicContact CD1-CE1 3.69Å; L428-Y511 HydrophobicContact CD1-CD1 4.02Å; L428-Y511 HydrophobicContact CD1-CG 4.42Å; L428-Y511 HydrophobicContact CD2-CD1 4.03Å; L428-Y511 HydrophobicContact CD2-CE1 4.4Å; L428-Y511 HydrophobicContact CG-CD1 4.1Å; I430-Y511 HydrophobicContact CB-CD1 4.46Å; I430-Y511 HydrophobicContact CD1-CD1 4.23Å; I430-Y511 HydrophobicContact CD1-CE1 3.69Å; I430-Y511 HydrophobicContact CG1-CD1 4.41Å; I430-Y511 HydrophobicContact CG1-CE1 4.35Å; L464-Y511 HydrophobicContact CD1-CD2 3.96Å; L464-Y511 HydrophobicContact CD1-CE2 4.25Å; H509-Y511 VanDerWaalsContact C-N 3.33Å; H509-Y511 HydrophobicContact CB-CD2 4.45Å; H509-Y511 HydrophobicContact CB-CE2 3.95Å; H509-Y511 WeakPolarHBondContact O-CD2 3.27Å; H509-Y511 PolarHBondContact O-N 3.07Å
512	Q	73	Confident	62.5	Low	15 Å²	15	71 Å²	71	7%	0.07	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.2	172.5	-158.3	159.8	134.7	0	0	110.3	I429 V441 K459 V510 F514	I429-Q512 HydrophobicContact CB-CB 4.48Å; I429-Q512 PolarHBondContact N-O 3.12Å; I429-Q512 PolarHBondContact O-N 3.37Å; V441-Q512 PolarHBondContact O-NE2 3.22Å; V441-Q512 PolarHBondContact O-OE1 3.15Å; K459-Q512 HydrophobicContact CD-CG 4.3Å; K459-Q512 HydrophobicContact CG-CG 4.35Å; V510-Q512 PolarHBondContact O-N 2.79Å; Q512-F514 HydrophobicContact CG-CD2 4.4Å; Q512-F514 HydrophobicContact CG-CE2 3.75Å; Q512-F514 HydrophobicContact CG-CZ 4.41Å
513	R	80.9	Confident	65.4	Low	61 Å²	61	66.2 Å²	66.2	23%	0.23	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.1	176.1	-175.4	174.1	-179.5	179.5	1.8	110	H426 L427 E460	H426-R513 PolarHBondContact CD2-NH2 2.87Å; H426-R513 PolarHBondContact CE1-NH2 2.97Å; H426-R513 PolarHBondContact ND1-NE 3.11Å; H426-R513 PolarHBondContact NE2-NH2 3.5Å; L427-R513 WeakPolarHBondContact O-CA 3.38Å; E460-R513 HydrophobicContact CB-CB 4.42Å; E460-R513 PolarHBondContact N-O 3.32Å; E460-R513 VanDerWaalsContact OE2-CD 3.23Å; E460-R513 WeakPolarHBondContact OE2-CD 3.34Å; E460-R513 IonicContact OE2-CZ 2.7Å; E460-R513 IonicContact OE2-NE 3.15Å; E460-R513 PolarHBondContact OE2-NE 3.31Å; E460-R513 IonicContact OE2-NH1 2.67Å
514	F	84.5	Confident	68.6	Low	9 Å²	9	59.4 Å²	59.4	4%	0.039	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.6	165.4	-73.1	-96.4	0	0	0	109.4	H426 L427 I429 C443 F457 V458 K459 Q512 L516	H426-F514 CarbonylContact C-O 3.58Å; H426-F514 VanDerWaalsContact CA-O 3.27Å; H426-F514 WeakPolarHBondContact CA-O 3.32Å; L427-F514 HydrophobicContact CB-CB 4.34Å; L427-F514 PolarHBondContact N-O 2.82Å; L427-F514 PolarHBondContact O-N 3.32Å; I429-F514 HydrophobicContact CD1-CD2 3.82Å; I429-F514 HydrophobicContact CD1-CE2 3.82Å; I429-F514 HydrophobicContact CG1-CD2 4.46Å; C443-F514 HydrophobicContact CB-CE2 4.09Å; C443-F514 HydrophobicContact CB-CZ 3.72Å; F457-F514 HydrophobicContact CB-CD1 4.11Å; V458-F514 CarbonylContact O-C 3.36Å; V458-F514 WeakPolarHBondContact O-CA 3.3Å; K459-F514 HydrophobicContact CB-CD1 4.07Å; K459-F514 HydrophobicContact CB-CE1 3.66Å; K459-F514 HydrophobicContact CB-CZ 4.1Å; K459-F514 HydrophobicContact CD-CZ 4.24Å; K459-F514 HydrophobicContact CG-CE1 4.34Å; K459-F514 HydrophobicContact CG-CZ 4.29Å; Q512-F514 HydrophobicContact CG-CD2 4.4Å; Q512-F514 HydrophobicContact CG-CE2 3.75Å; Q512-F514 HydrophobicContact CG-CZ 4.41Å; F514-L516 HydrophobicContact CB-CD1 4Å
515	T	85.1	Confident	71.5	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.8	175.3	-62.7	0	0	0	0	108.5	F423 H426 V458 E460 Y517	F423-T515 HydrophobicContact CD2-CG2 3.77Å; F423-T515 HydrophobicContact CE2-CG2 3.92Å; H426-T515 PolarHBondContact CE1-OG1 3.25Å; H426-T515 PolarHBondContact ND1-OG1 2.88Å; V458-T515 PolarHBondContact N-O 2.93Å; V458-T515 PolarHBondContact O-N 3.09Å; E460-T515 WeakPolarHBondContact OE1-CB 3.27Å; E460-T515 PolarHBondContact OE1-OG1 3.28Å; T515-Y517 HydrophobicContact CG2-CD2 4.22Å; T515-Y517 HydrophobicContact CG2-CE1 4.28Å; T515-Y517 HydrophobicContact CG2-CE2 3.47Å; T515-Y517 VanDerWaalsContact CG2-CE2 3.47Å
516	L	88.6	Confident	74.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.5	-167.1	-80	59	0	0	0	108.7	L412 I424 G425 L427 I455 F457 F514 I584	L412-L516 HydrophobicContact CD1-CD2 3.58Å; I424-L516 HydrophobicContact CB-CB 4.36Å; I424-L516 PolarHBondContact N-O 2.95Å; G425-L516 WeakPolarHBondContact O-CB 3.14Å; G425-L516 PolarHBondContact O-N 2.86Å; L427-L516 HydrophobicContact CB-CD1 4.41Å; L427-L516 HydrophobicContact CD1-CD1 3.87Å; L427-L516 HydrophobicContact CD1-CD2 4.03Å; L427-L516 HydrophobicContact CD2-CD2 4.32Å; L427-L516 HydrophobicContact CG-CD1 3.69Å; L427-L516 HydrophobicContact CG-CD2 3.94Å; L427-L516 HydrophobicContact CG-CG 4.49Å; I455-L516 HydrophobicContact CD1-CD2 4.46Å; I455-L516 HydrophobicContact CG2-CB 3.75Å; I455-L516 HydrophobicContact CG2-CD2 4.04Å; I455-L516 HydrophobicContact CG2-CG 3.67Å; F457-L516 HydrophobicContact CD1-CD1 3.95Å; F457-L516 HydrophobicContact CD1-CD2 4.42Å; F457-L516 HydrophobicContact CD1-CG 3.96Å; F457-L516 HydrophobicContact CE1-CD1 4.3Å; F457-L516 HydrophobicContact CE1-CD2 3.97Å; F457-L516 HydrophobicContact CE1-CG 4.01Å; F514-L516 HydrophobicContact CB-CD1 4Å; L516-I584 HydrophobicContact CD2-CD1 4Å
517	Y	88.7	Confident	76.3	Confident	68 Å²	68	56.5 Å²	56.5	27%	0.267	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.9	-177.9	-66.3	-79.7	0	0	0	111.2	K421 T422 F423 I455 L456 V458 T515 Q519	K421-Y517 WeakPolarHBondContact O-CD1 3.5Å; T422-Y517 CarbonylContact O-C 3.55Å; T422-Y517 VanDerWaalsContact O-CA 3.28Å; T422-Y517 WeakPolarHBondContact O-CA 3.45Å; F423-Y517 HydrophobicContact CB-CD1 4.34Å; F423-Y517 HydrophobicContact CB-CE1 4.19Å; I455-Y517 WeakPolarHBondContact CA-O 3.48Å; L456-Y517 PolarHBondContact N-O 2.87Å; L456-Y517 PolarHBondContact O-N 2.98Å; V458-Y517 HydrophobicContact CB-CD2 4.17Å; V458-Y517 HydrophobicContact CB-CE2 3.99Å; V458-Y517 HydrophobicContact CG2-CD2 3.64Å; V458-Y517 HydrophobicContact CG2-CE2 3.81Å; T515-Y517 HydrophobicContact CG2-CD2 4.22Å; T515-Y517 HydrophobicContact CG2-CE1 4.28Å; T515-Y517 HydrophobicContact CG2-CE2 3.47Å; T515-Y517 VanDerWaalsContact CG2-CE2 3.47Å; Y517-Q519 PolarHBondContact O-N 3.28Å
518	S	88.4	Confident	78.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.2	167.7	57.8	0	0	0	0	110.2	P419 K421 T422 N520	P419-S518 PolarHBondContact O-OG 3.04Å; K421-S518 VanDerWaalsContact CA-O 3.32Å; K421-S518 WeakPolarHBondContact CA-O 3.34Å; K421-S518 PolarHBondContact N-O 3.3Å; K421-S518 PolarHBondContact N-OG 2.8Å; T422-S518 PolarHBondContact N-OG 3.39Å; T422-S518 PolarHBondContact O-N 3.3Å; S518-N520 WeakPolarHBondContact CB-O 3.5Å
519	Q	82.1	Confident	80.7	Confident	75 Å²	75	53.3 Å²	53.3	35%	0.35	26%	0.259	S	S	.	.	S	Bend	trans	-73.1	-35.8	176.5	179.1	67.2	-22.2	0	0	111.5	P454 L456 Y517	P454-Q519 VanDerWaalsContact O-CB 3.23Å; P454-Q519 WeakPolarHBondContact O-CB 3.46Å; P454-Q519 PolarHBondContact O-N 2.83Å; L456-Q519 HydrophobicContact CB-CB 4.36Å; Y517-Q519 PolarHBondContact O-N 3.28Å
520	N	81.8	Confident	82.3	Confident	86 Å²	86	54.3 Å²	54.3	46%	0.46	26%	0.262	S	S	.	.	S	Bend	trans	-125.3	165.3	179.7	-56.3	-66.2	0	0	0	110.1	S518	S518-N520 WeakPolarHBondContact CB-O 3.5Å
521	K	85.7	Confident	83.5	Confident	107 Å²	107	52.9 Å²	52.9	47%	0.465	25%	0.249	S	C	.	.			trans	-66.5	131.6	159.9	-173.1	-159.6	170.6	-161.5	0	108.4	N417	N417-K521 WeakPolarHBondContact OD1-CE 3.32Å; N417-K521 PolarHBondContact OD1-NZ 3.23Å
522	Y	86.4	Confident	84.1	Confident	6 Å²	6	55.8 Å²	55.8	2%	0.024	27%	0.268	C	S	.	.			trans	-90	149.6	172.9	-60.8	-69.5	0	0	0	112.3	I414 N417 P454 Y531 L586 I588	I414-Y522 HydrophobicContact CD1-CD2 4.13Å; I414-Y522 HydrophobicContact CD1-CE2 4.15Å; I414-Y522 HydrophobicContact CG2-CD2 3.85Å; I414-Y522 HydrophobicContact CG2-CE2 3.98Å; N417-Y522 PolarHBondContact N-O 2.91Å; N417-Y522 VanDerWaalsContact N-O 3.08Å; P454-Y522 HydrophobicContact CB-CE1 4.17Å; P454-Y522 WeakPolarHBondContact CB-OH 3.44Å; P454-Y522 PolarHBondContact O-OH 2.85Å; Y522-Y531 HydrophobicContact CD1-CD2 4.14Å; Y522-Y531 AromaticContact CD1-CE2 3.59Å; Y522-Y531 HydrophobicContact CD1-CE2 3.59Å; Y522-Y531 AromaticContact CD1-CZ 3.96Å; Y522-Y531 AromaticContact CE1-CD2 3.87Å; Y522-Y531 HydrophobicContact CE1-CD2 3.87Å; Y522-Y531 HydrophobicContact CE1-CE1 4.44Å; Y522-Y531 AromaticContact CE1-CE2 3.7Å; Y522-Y531 HydrophobicContact CE1-CE2 3.7Å; Y522-Y531 HydrophobicContact CE1-CG 4.32Å; Y522-Y531 AromaticContact CE1-CZ 3.99Å; Y522-L586 HydrophobicContact CE1-CD2 4.46Å; Y522-L586 HydrophobicContact CE2-CD2 3.86Å; Y522-L586 WeakPolarHBondContact OH-CD2 3.27Å; Y522-I588 HydrophobicContact CD1-CD1 3.83Å; Y522-I588 HydrophobicContact CD2-CD1 3.84Å; Y522-I588 HydrophobicContact CE1-CD1 4.19Å; Y522-I588 HydrophobicContact CE2-CD1 4.2Å; Y522-I588 HydrophobicContact CG-CD1 3.63Å
523	D	88.4	Confident	84.5	Confident	53 Å²	53	55.1 Å²	55.1	28%	0.283	27%	0.265	S	S	.	.			trans	-148.3	115	-178.5	161.7	-10.8	0	0	0	103.2	E525 N526	D523-E525 PolarHBondContact OD1-N 2.88Å; D523-N526 HydrophobicContact CB-CB 4.47Å; D523-N526 WeakPolarHBondContact OD1-CB 3.28Å; D523-N526 PolarHBondContact OD1-N 3.46Å; D523-N526 WeakPolarHBondContact OD2-CB 3.38Å; D523-N526 PolarHBondContact OD2-ND2 2.98Å
524	R	89.4	Confident	84.5	Confident	35 Å²	35	55.1 Å²	55.1	13%	0.132	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-37.3	-165.7	177.4	-169.6	162.8	-83.4	-37.8	111.3	E416 D529 I588 D590	E416-R524 VanDerWaalsContact CD-CB 3.49Å; E416-R524 VanDerWaalsContact OE1-CB 3.29Å; E416-R524 WeakPolarHBondContact OE1-CB 3.37Å; E416-R524 WeakPolarHBondContact OE2-CB 3.32Å; E416-R524 PolarHBondContact OE2-N 2.78Å; R524-D529 HydrophobicContact CG-CB 4.33Å; R524-I588 HydrophobicContact CB-CG2 3.99Å; R524-I588 HydrophobicContact CG-CG2 4.35Å; R524-D590 IonicContact CZ-OD1 3.59Å; R524-D590 IonicContact NE-OD1 3.6Å; R524-D590 IonicContact NH1-OD1 2.68Å; R524-D590 PolarHBondContact NH1-OD1 3.44Å
525	E	87.8	Confident	84.5	Confident	50 Å²	50	54.8 Å²	54.8	23%	0.234	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-27.4	-170.8	-75.2	48.7	-98.8	0	0	112.2	D523 K625	D523-E525 PolarHBondContact OD1-N 2.88Å; E525-K625 HydrophobicContact CB-CB 4.43Å; E525-K625 HydrophobicContact CB-CD 4.39Å; E525-K625 HydrophobicContact CG-CB 3.61Å; E525-K625 HydrophobicContact CG-CD 4.41Å; E525-K625 WeakPolarHBondContact CG-O 3.34Å
526	N	82.4	Confident	84.5	Confident	121 Å²	121	59.3 Å²	59.3	65%	0.647	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-26.2	-171.1	-169	5.4	0	0	0	113.1	D523	D523-N526 HydrophobicContact CB-CB 4.47Å; D523-N526 WeakPolarHBondContact OD1-CB 3.28Å; D523-N526 PolarHBondContact OD1-N 3.46Å; D523-N526 WeakPolarHBondContact OD2-CB 3.38Å; D523-N526 PolarHBondContact OD2-ND2 2.98Å
527	I	74	Confident	84.5	Confident	119 Å²	119	59.3 Å²	59.3	61%	0.61	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	-71.4	-173.6	-48.1	179.8	0	0	0	112.7	Y531	I527-Y531 WeakPolarHBondContact CB-OH 3.06Å; I527-Y531 WeakPolarHBondContact CG2-OH 3.27Å
528	T	82.6	Confident	84.3	Confident	47 Å²	47	58.4 Å²	58.4	29%	0.288	28%	0.282	S	S	.	.			trans	-170.2	150.7	-178	-173.2	0	0	0	0	111.9	K530 Y531	T528-K530 VanDerWaalsContact C-N 3.35Å; T528-K530 WeakPolarHBondContact CG2-O 3.28Å; T528-K530 PolarHBondContact OG1-N 3.04Å; T528-K530 PolarHBondContact OG1-O 3.23Å; T528-Y531 HydrophobicContact CG2-CD1 4.09Å; T528-Y531 HydrophobicContact CG2-CD2 3.91Å; T528-Y531 HydrophobicContact CG2-CE1 3.79Å; T528-Y531 HydrophobicContact CG2-CE2 3.58Å; T528-Y531 HydrophobicContact CG2-CG 4.17Å
529	D	86.3	Confident	84.1	Confident	54 Å²	54	58.4 Å²	58.4	29%	0.289	28%	0.282	S	S	.	.	S	Bend	trans	-80.9	-12.7	173.3	79.6	-38.2	0	0	0	113.6	R524 I588	R524-D529 HydrophobicContact CG-CB 4.33Å; D529-I588 PolarHBondContact O-N 3.01Å
530	K	85.9	Confident	83.3	Confident	102 Å²	102	55 Å²	55	44%	0.443	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.6	-176.1	-67.9	-179.7	-156.7	73.2	0	112.8	T528 L586	T528-K530 VanDerWaalsContact C-N 3.35Å; T528-K530 WeakPolarHBondContact CG2-O 3.28Å; T528-K530 PolarHBondContact OG1-N 3.04Å; T528-K530 PolarHBondContact OG1-O 3.23Å; K530-L586 WeakPolarHBondContact CA-O 3.07Å
531	Y	83.9	Confident	82.1	Confident	39 Å²	39	55.7 Å²	55.7	15%	0.153	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.9	177.2	-77.3	-83.3	0	0	0	110.7	P454 Y522 I527 T528 L586 I588	P454-Y531 HydrophobicContact CB-CD1 3.54Å; P454-Y531 HydrophobicContact CB-CE1 4.29Å; P454-Y531 HydrophobicContact CB-CG 3.76Å; P454-Y531 HydrophobicContact CG-CD1 4.03Å; P454-Y531 HydrophobicContact CG-CG 4.24Å; Y522-Y531 HydrophobicContact CD1-CD2 4.14Å; Y522-Y531 AromaticContact CD1-CE2 3.59Å; Y522-Y531 HydrophobicContact CD1-CE2 3.59Å; Y522-Y531 AromaticContact CD1-CZ 3.96Å; Y522-Y531 AromaticContact CE1-CD2 3.87Å; Y522-Y531 HydrophobicContact CE1-CD2 3.87Å; Y522-Y531 HydrophobicContact CE1-CE1 4.44Å; Y522-Y531 AromaticContact CE1-CE2 3.7Å; Y522-Y531 HydrophobicContact CE1-CE2 3.7Å; Y522-Y531 HydrophobicContact CE1-CG 4.32Å; Y522-Y531 AromaticContact CE1-CZ 3.99Å; I527-Y531 WeakPolarHBondContact CB-OH 3.06Å; I527-Y531 WeakPolarHBondContact CG2-OH 3.27Å; T528-Y531 HydrophobicContact CG2-CD1 4.09Å; T528-Y531 HydrophobicContact CG2-CD2 3.91Å; T528-Y531 HydrophobicContact CG2-CE1 3.79Å; T528-Y531 HydrophobicContact CG2-CE2 3.58Å; T528-Y531 HydrophobicContact CG2-CG 4.17Å; Y531-L586 PolarHBondContact N-O 2.82Å; Y531-L586 PolarHBondContact O-N 3.33Å; Y531-I588 HydrophobicContact CD2-CD1 3.84Å; Y531-I588 HydrophobicContact CD2-CG1 3.84Å; Y531-I588 HydrophobicContact CE2-CD1 4.07Å; Y531-I588 HydrophobicContact CE2-CG1 3.88Å
532	L	81.3	Confident	80.5	Confident	123 Å²	123	52.4 Å²	52.4	64%	0.644	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.7	175	-69.2	172.7	0	0	0	109.5	T585	L532-T585 HydrophobicContact CD2-CG2 4.38Å
533	A	80.4	Confident	78.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145.8	169.7	0	0	0	0	0	109.9	P454 I455 F457 I584	P454-A533 HydrophobicContact CG-CB 4.35Å; I455-A533 HydrophobicContact CB-CB 4.28Å; I455-A533 HydrophobicContact CD1-CB 3.92Å; I455-A533 HydrophobicContact CG1-CB 4.28Å; F457-A533 HydrophobicContact CE2-CB 4.05Å; F457-A533 HydrophobicContact CZ-CB 3.9Å; A533-I584 PolarHBondContact N-O 2.87Å; A533-I584 PolarHBondContact O-N 3.09Å
534	I	80.7	Confident	76.2	Confident	61 Å²	61	61.4 Å²	61.4	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.7	176.4	-51.8	-176.8	0	0	0	108.5	P446 M582 T583	P446-I534 WeakPolarHBondContact CD-O 3.26Å; I534-M582 WeakPolarHBondContact CA-O 3.49Å; I534-T583 HydrophobicContact CG1-CG2 4.3Å
535	L	84.6	Confident	73.8	Confident	2 Å²	2	66 Å²	66	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127	170.3	-170.8	63.2	0	0	0	108.7	F405 L427 I429 C443 F457 M582	F405-L535 HydrophobicContact CE1-CD2 4.33Å; L427-L535 HydrophobicContact CD1-CD2 3.96Å; I429-L535 HydrophobicContact CD1-CD2 4.11Å; C443-L535 HydrophobicContact CB-CD1 3.97Å; C443-L535 HydrophobicContact CB-CD2 4.36Å; C443-L535 HydrophobicContact CB-CG 4.13Å; F457-L535 HydrophobicContact CD1-CD1 4.13Å; F457-L535 HydrophobicContact CD1-CD2 4.01Å; F457-L535 HydrophobicContact CD1-CG 4.49Å; F457-L535 HydrophobicContact CE1-CB 4.14Å; F457-L535 HydrophobicContact CE1-CD1 4.44Å; F457-L535 HydrophobicContact CE1-CD2 4.13Å; F457-L535 HydrophobicContact CE1-CG 4.48Å; F457-L535 HydrophobicContact CG-CD1 4.31Å; F457-L535 HydrophobicContact CZ-CB 4.44Å; L535-M582 PolarHBondContact N-O 3.31Å; L535-M582 PolarHBondContact O-N 2.73Å; L535-M582 VanDerWaalsContact O-N 3.09Å
536	Y	85.4	Confident	71.3	Confident	96 Å²	96	68.2 Å²	68.2	38%	0.376	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.9	178.6	-176.1	-91	0	0	0	108.7	C443 E444 W538 T579 T581	C443-Y536 CarbonylContact C-O 3.49Å; C443-Y536 VanDerWaalsContact CA-O 3.28Å; C443-Y536 WeakPolarHBondContact CA-O 3.27Å; E444-Y536 PolarHBondContact N-O 2.77Å; E444-Y536 PolarHBondContact O-N 3.05Å; E444-Y536 VanDerWaalsContact O-N 3.15Å; Y536-W538 AromaticContact CD1-CE3 3.54Å; Y536-W538 HydrophobicContact CD1-CE3 3.54Å; Y536-W538 AromaticContact CD1-CZ3 3.82Å; Y536-W538 HydrophobicContact CD1-CZ3 3.82Å; Y536-W538 HydrophobicContact CE1-CD2 4.43Å; Y536-W538 AromaticContact CE1-CE3 3.7Å; Y536-W538 HydrophobicContact CE1-CE3 3.7Å; Y536-W538 HydrophobicContact CE1-CZ3 4.26Å; Y536-T579 WeakPolarHBondContact OH-CG2 3.48Å; Y536-T581 HydrophobicContact CD2-CG2 3.52Å; Y536-T581 HydrophobicContact CE2-CG2 3.89Å
537	C	87.3	Confident	68.8	Low	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.2	-178	-62.6	0	0	0	0	111	P403 F405 V441 H442 C443 T579 A580	P403-C537 HydrophobicContact CB-CB 4.33Å; F405-C537 HydrophobicContact CZ-CB 4.3Å; V441-C537 HydrophobicContact CG1-CB 4.16Å; H442-C537 CarbonylContact O-C 3.54Å; H442-C537 VanDerWaalsContact O-CA 3.27Å; H442-C537 WeakPolarHBondContact O-CA 3.21Å; C443-C537 HydrophobicContact CB-CB 4.08Å; C443-C537 WeakPolarHBondContact CB-SG 3.38Å; C443-C537 WeakPolarHBondContact SG-CB 3.5Å; C443-C537 CovalentContact SG-SG 2.04Å; C443-C537 PolarHBondContact SG-SG 3.18Å; C537-T579 WeakPolarHBondContact O-CA 3.42Å; C537-A580 PolarHBondContact N-O 3.03Å; C537-A580 PolarHBondContact O-N 2.95Å; C537-A580 VanDerWaalsContact O-O 3.11Å
538	W	86.1	Confident	66.7	Low	49 Å²	49	68 Å²	68	19%	0.186	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159.6	175.7	70.6	92.2	0	0	0	109.8	V441 H442 E444 Y536 L578 T579	V441-W538 CarbonylContact C-O 3.21Å; V441-W538 WeakPolarHBondContact CA-O 3.17Å; H442-W538 HydrophobicContact CB-CD2 4.01Å; H442-W538 HydrophobicContact CB-CG 4.46Å; H442-W538 HydrophobicContact CB-CH2 4.35Å; H442-W538 HydrophobicContact CB-CZ2 3.73Å; H442-W538 PolarHBondContact N-O 3.02Å; H442-W538 PolarHBondContact O-N 3.13Å; E444-W538 HydrophobicContact CB-CH2 3.97Å; E444-W538 HydrophobicContact CB-CZ3 3.94Å; E444-W538 HydrophobicContact CG-CH2 3.69Å; E444-W538 HydrophobicContact CG-CZ3 4.16Å; Y536-W538 AromaticContact CD1-CE3 3.54Å; Y536-W538 HydrophobicContact CD1-CE3 3.54Å; Y536-W538 AromaticContact CD1-CZ3 3.82Å; Y536-W538 HydrophobicContact CD1-CZ3 3.82Å; Y536-W538 HydrophobicContact CE1-CD2 4.43Å; Y536-W538 AromaticContact CE1-CE3 3.7Å; Y536-W538 HydrophobicContact CE1-CE3 3.7Å; Y536-W538 HydrophobicContact CE1-CZ3 4.26Å; W538-L578 VanDerWaalsContact CA-O 3.28Å; W538-L578 WeakPolarHBondContact CA-O 3.23Å; W538-T579 HydrophobicContact CB-CG2 3.95Å
539	D	83.4	Confident	64.2	Low	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.394	C	S	.	.			trans	-96.3	-174	-176	54.9	26.6	0	0	0	113	N399 P403 S577 L578	N399-D539 VanDerWaalsContact ND2-CG 3.29Å; N399-D539 PolarHBondContact ND2-OD2 3.01Å; N399-D539 PolarHBondContact OD1-OD1 3.12Å; P403-D539 HydrophobicContact CG-CB 4.23Å; D539-S577 PolarHBondContact N-OG 3.15Å; D539-S577 PolarHBondContact O-OG 2.7Å; D539-S577 VanDerWaalsContact O-OG 3.07Å; D539-S577 VanDerWaalsContact OD1-C 3.29Å; D539-S577 WeakPolarHBondContact OD1-CA 3.09Å; D539-S577 WeakPolarHBondContact OD1-CB 3.25Å; D539-S577 PolarHBondContact OD1-OG 3.2Å; D539-L578 VanDerWaalsContact CG-N 3.26Å; D539-L578 PolarHBondContact N-O 2.89Å; D539-L578 PolarHBondContact OD1-N 3.41Å; D539-L578 VanDerWaalsContact OD2-CA 3.29Å; D539-L578 WeakPolarHBondContact OD2-CA 3.1Å; D539-L578 WeakPolarHBondContact OD2-CB 3.4Å; D539-L578 PolarHBondContact OD2-N 2.91Å
540	G	66	Low	61.6	Low	5 Å²	5	77.4 Å²	77.4	5%	0.052	42%	0.416	C	S	.	.	S	Bend	trans	66.2	-174	165.4	0	0	0	0	0	116.8	N438 H442	N438-G540 WeakPolarHBondContact O-CA 3.29Å; N438-G540 PolarHBondContact O-N 2.98Å; H442-G540 PolarHBondContact CE1-O 3.24Å; H442-G540 VanDerWaalsContact CE1-O 3.25Å; H442-G540 PolarHBondContact ND1-O 3.35Å
541	I	57	Low	58.7	Low	100 Å²	100	77 Å²	77	51%	0.513	43%	0.426	S	S	.	.			trans	-93.7	121.4	-179.9	-57.9	176.7	0	0	0	109.8	V437 N543 F545	V437-I541 HydrophobicContact CG1-CD1 4.11Å; V437-I541 HydrophobicContact CG1-CG1 4.5Å; I541-N543 PolarHBondContact O-N 3.26Å; I541-F545 HydrophobicContact CG2-CB 4.4Å
542	P	50.3	Low	56.2	Low	38 Å²	38	83.5 Å²	83.5	25%	0.247	46%	0.462	C	S	.	.			trans	-58.1	129.4	174.3	-26.4	35.4	0	0	0	112.4	S544 F545	P542-S544 PolarHBondContact O-N 3.29Å; P542-F545 PolarHBondContact O-N 3.16Å; P542-F545 VanDerWaalsContact O-N 3.07Å
543	N	44	Very low	53.8	Low	148 Å²	148	84.7 Å²	84.7	79%	0.791	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-52.9	-15.5	-177.6	-79.3	-55.5	0	0	0	115	I541 F545 S546	I541-N543 PolarHBondContact O-N 3.26Å; N543-F545 VanDerWaalsContact C-N 3.29Å; N543-F545 PolarHBondContact O-N 3.14Å; N543-S546 PolarHBondContact O-OG 2.98Å
544	S	41.9	Very low	51.3	Low	99 Å²	99	90.4 Å²	90.4	69%	0.692	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-66.3	-19.1	175	47.5	0	0	0	0	115.2	P542	P542-S544 PolarHBondContact O-N 3.29Å
545	F	39.4	Very low	48.8	Very low	133 Å²	133	92.5 Å²	92.5	58%	0.583	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-89.4	0.7	-178.2	-84.9	-76.3	0	0	0	115.3	I541 P542 N543 N547 S548	I541-F545 HydrophobicContact CG2-CB 4.4Å; P542-F545 PolarHBondContact O-N 3.16Å; P542-F545 VanDerWaalsContact O-N 3.07Å; N543-F545 VanDerWaalsContact C-N 3.29Å; N543-F545 PolarHBondContact O-N 3.14Å; F545-N547 PolarHBondContact O-N 3.15Å; F545-S548 PolarHBondContact O-N 3.11Å
546	S	34.2	Very low	46.1	Very low	95 Å²	95	99.2 Å²	99.2	66%	0.664	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	1.2	-174.4	68.6	0	0	0	0	116.3	N543	N543-S546 PolarHBondContact O-OG 2.98Å
547	N	30	Very low	43.5	Very low	157 Å²	157	105.6 Å²	105.6	84%	0.84	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	3.8	-173.4	-80.3	-48.2	0	0	0	115.2	F545	F545-N547 PolarHBondContact O-N 3.15Å
548	S	29.6	Very low	40.6	Very low	78 Å²	78	114 Å²	114	55%	0.545	63%	0.63	S	S	.	*			trans	-126.6	0.2	-172	64	0	0	0	0	117.5	F545 V550	F545-S548 PolarHBondContact O-N 3.11Å; S548-V550 PolarHBondContact O-N 3.33Å; S548-V550 VanDerWaalsContact O-N 3.08Å
549	L	31.5	Very low	38	Very low	178 Å²	178	116.6 Å²	116.6	93%	0.932	66%	0.656	S	S	*	*			trans	-82	84.1	170.9	-89.2	168.6	0	0	0	111
550	V	30.9	Very low	35.4	Very low	121 Å²	121	122.7 Å²	122.7	73%	0.733	69%	0.693	S	S	*	*			trans	-84.7	121	177.2	175.9	0	0	0	0	110.3	S548	S548-V550 PolarHBondContact O-N 3.33Å; S548-V550 VanDerWaalsContact O-N 3.08Å
551	S	25.7	Very low	33.8	Very low	95 Å²	95	129 Å²	129	66%	0.664	73%	0.726	S	S	*	*			trans	46.5	104.1	164.7	63.9	0	0	0	0	118.6
552	L	31.5	Very low	32.5	Very low	174 Å²	174	132.3 Å²	132.3	91%	0.911	73%	0.733	S	S	*	*			trans	-102.6	150.2	130.1	-99.5	76.4	0	0	0	108.6	S554	L552-S554 PolarHBondContact O-N 3.44Å
553	D	29.3	Very low	31.9	Very low	149 Å²	149	135 Å²	135	80%	0.797	75%	0.75	S	S	*	*			trans	-68.6	126.6	-161.7	-80.7	-56.8	0	0	0	115.3	T555	D553-T555 VanDerWaalsContact C-N 3.32Å; D553-T555 PolarHBondContact O-N 2.97Å; D553-T555 VanDerWaalsContact O-N 3.14Å
554	S	28.8	Very low	31.2	Very low	121 Å²	121	137.3 Å²	137.3	85%	0.846	75%	0.753	S	S	*	*			trans	-86.7	62.5	173.6	60.1	0	0	0	0	112	L552	L552-S554 PolarHBondContact O-N 3.44Å
555	T	28.6	Very low	30.8	Very low	104 Å²	104	140.8 Å²	140.8	64%	0.638	76%	0.758	S	S	*	*			trans	-138	149.2	170.1	55.7	0	0	0	0	112.4	D553	D553-T555 VanDerWaalsContact C-N 3.32Å; D553-T555 PolarHBondContact O-N 2.97Å; D553-T555 VanDerWaalsContact O-N 3.14Å
556	N	28.2	Very low	30.5	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	76%	0.762	S	S	*	*	S	Bend	trans	67.5	65	171.4	-53.3	-24.2	0	0	0	117.8
557	Y	29.5	Very low	30.3	Very low	229 Å²	229	140.1 Å²	140.1	90%	0.898	77%	0.765	S	S	*	*			trans	-158.8	72.9	131.9	-96	-63.3	0	0	0	110.3
558	L	26.8	Very low	30.3	Very low	178 Å²	178	137.8 Å²	137.8	93%	0.932	76%	0.761	S	S	*	*			trans	-105.2	86.3	170.6	-92.1	165.8	0	0	0	109.5
559	S	31	Very low	30.3	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	76%	0.762	S	S	*	*			trans	-118.8	121.3	166.8	53.1	0	0	0	0	108.7	D561	S559-D561 PolarHBondContact O-N 2.94Å
560	T	29.7	Very low	30.2	Very low	128 Å²	128	136.9 Å²	136.9	79%	0.785	75%	0.753	S	S	*	*			trans	-87.3	106.8	-168.8	49.8	0	0	0	0	112.1
561	D	31.1	Very low	30.1	Very low	138 Å²	138	136.1 Å²	136.1	74%	0.738	75%	0.753	S	S	*	*				-169.5	112.5	126.5	-99.1	-28.5	0	0	0	111.1	S559	S559-D561 PolarHBondContact O-N 2.94Å
562	Y	30.2	Very low	30.4	Very low	169 Å²	169	139.1 Å²	139.1	66%	0.663	76%	0.759	S	S	*	*			trans	-141.1	120.9	170.5	-113.6	-93.6	0	0	0	108.3
563	P	36.9	Very low	30.5	Very low	94 Å²	94	133.8 Å²	133.8	61%	0.61	74%	0.736	S	S	*	*			trans	-66.8	138.6	-179.3	26.2	-33	0	0	0	111.1	H565	P563-H565 PolarHBondContact O-N 2.9Å
564	K	30.9	Very low	31.1	Very low	196 Å²	196	135 Å²	135	85%	0.852	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	81.2	-172.2	-65.6	175.1	-179.6	171.9	0	112.5
565	H	33	Very low	32.2	Very low	173 Å²	173	135 Å²	135	80%	0.801	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	-18.9	168.6	-97.6	-76.8	0	0	0	115.5	P563 S567	P563-H565 PolarHBondContact O-N 2.9Å; H565-S567 VanDerWaalsContact C-N 3.32Å; H565-S567 PolarHBondContact O-N 2.91Å
566	V	33.7	Very low	33.8	Very low	110 Å²	110	134.5 Å²	134.5	67%	0.667	73%	0.732	S	S	*	*			trans	-85.7	74.4	174.5	-168.7	0	0	0	0	109.9	M569	V566-M569 HydrophobicContact CG1-CB 4.36Å; V566-M569 HydrophobicContact CG1-SD 4.28Å
567	S	29.6	Very low	36.1	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	71%	0.713	S	S	*	*			trans	-133.4	16	-179.3	-57.3	0	0	0	0	113.9	H565	H565-S567 VanDerWaalsContact C-N 3.32Å; H565-S567 PolarHBondContact O-N 2.91Å
568	S	29.7	Very low	38.7	Very low	107 Å²	107	121.1 Å²	121.1	75%	0.748	68%	0.68	S	S	*	*	S	Bend	trans	-138.7	16.6	177.8	63.2	0	0	0	0	113.8
569	M	29.5	Very low	41.6	Very low	117 Å²	117	115.4 Å²	115.4	58%	0.576	65%	0.652	S	S	*	*			trans	-97	9.4	176.4	-90.6	176.9	151.1	0	0	113.6	M313 V566	M313-M569 HydrophobicContact SD-CE 4.01Å; V566-M569 HydrophobicContact CG1-CB 4.36Å; V566-M569 HydrophobicContact CG1-SD 4.28Å
570	T	29	Very low	44.2	Very low	120 Å²	120	111 Å²	111	74%	0.736	62%	0.623	S	S	*	*	S	Bend	trans	-84.8	131.4	163.2	44.7	0	0	0	0	109.1
571	S	29.8	Very low	46.9	Very low	106 Å²	106	109.2 Å²	109.2	74%	0.741	61%	0.612	S	S	*	*	S	Bend	trans	53.8	83.6	-175.9	59.6	0	0	0	0	116.3
572	M	30.6	Very low	49.4	Very low	157 Å²	157	103.6 Å²	103.6	77%	0.773	58%	0.581	S	S	*	*	S	Bend	trans	-163.9	-7.2	138.3	-139	67.4	76.4	0	0	117	L575	M572-L575 WeakPolarHBondContact O-CD1 2.95Å; M572-L575 WeakPolarHBondContact O-CG 3.05Å
573	S	33.9	Very low	51.9	Low	62 Å²	62	100 Å²	100	43%	0.434	58%	0.577	S	S	.	*	S	Bend	trans	-114.6	3.1	-170.2	61.8	0	0	0	0	117.3	L575	S573-L575 PolarHBondContact O-N 2.81Å
574	L	41.7	Very low	54.2	Low	174 Å²	174	95.5 Å²	95.5	91%	0.911	55%	0.548	S	S	*	.			trans	-80.7	60.6	166.5	-65.1	172.4	0	0	0	109.2
575	L	53.3	Low	56.8	Low	123 Å²	123	88.4 Å²	88.4	64%	0.644	52%	0.521	S	S	*	.			trans	-101.7	114.8	-167.2	-74.6	174.2	0	0	0	111.7	M572 S573	M572-L575 WeakPolarHBondContact O-CD1 2.95Å; M572-L575 WeakPolarHBondContact O-CG 3.05Å; S573-L575 PolarHBondContact O-N 2.81Å
576	S	62.6	Low	59.4	Low	92 Å²	92	80.1 Å²	80.1	64%	0.643	48%	0.483	S	S	*	.			trans	45.2	97.3	161.2	56.1	0	0	0	0	116.4	L578	S576-L578 PolarHBondContact O-N 2.78Å
577	S	75.7	Confident	62	Low	53 Å²	53	77 Å²	77	37%	0.371	46%	0.461	S	S	.	.			trans	-40.8	131.6	159.7	167.5	0	0	0	0	112	D539	D539-S577 PolarHBondContact N-OG 3.15Å; D539-S577 PolarHBondContact O-OG 2.7Å; D539-S577 VanDerWaalsContact O-OG 3.07Å; D539-S577 VanDerWaalsContact OD1-C 3.29Å; D539-S577 WeakPolarHBondContact OD1-CA 3.09Å; D539-S577 WeakPolarHBondContact OD1-CB 3.25Å; D539-S577 PolarHBondContact OD1-OG 3.2Å
578	L	84.4	Confident	64.9	Low	40 Å²	40	72.2 Å²	72.2	21%	0.209	43%	0.427	C	S	.	.			trans	-88.1	149	179	-54.8	172.2	0	0	0	109.6	E401 R402 W538 D539 S576	E401-L578 WeakPolarHBondContact O-CD1 3.48Å; R402-L578 HydrophobicContact CB-CB 4.17Å; W538-L578 VanDerWaalsContact CA-O 3.28Å; W538-L578 WeakPolarHBondContact CA-O 3.23Å; D539-L578 VanDerWaalsContact CG-N 3.26Å; D539-L578 PolarHBondContact N-O 2.89Å; D539-L578 PolarHBondContact OD1-N 3.41Å; D539-L578 VanDerWaalsContact OD2-CA 3.29Å; D539-L578 WeakPolarHBondContact OD2-CA 3.1Å; D539-L578 WeakPolarHBondContact OD2-CB 3.4Å; D539-L578 PolarHBondContact OD2-N 2.91Å; S576-L578 PolarHBondContact O-N 2.78Å
579	T	87.2	Confident	67.7	Low	57 Å²	57	70.1 Å²	70.1	35%	0.35	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138	-163.9	63.9	0	0	0	0	111	R402 Y536 C537 W538	R402-T579 PolarHBondContact NH1-O 3.49Å; Y536-T579 WeakPolarHBondContact OH-CG2 3.48Å; C537-T579 WeakPolarHBondContact O-CA 3.42Å; W538-T579 HydrophobicContact CB-CG2 3.95Å
580	A	86	Confident	70.5	Confident	12 Å²	12	65.8 Å²	65.8	10%	0.099	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139	179.7	0	0	0	0	0	110	P403 F405 C537	P403-A580 HydrophobicContact CB-CB 4.01Å; P403-A580 WeakPolarHBondContact O-CB 3.48Å; F405-A580 HydrophobicContact CE2-CB 3.82Å; C537-A580 PolarHBondContact N-O 3.03Å; C537-A580 PolarHBondContact O-N 2.95Å; C537-A580 VanDerWaalsContact O-O 3.11Å
581	T	86.4	Confident	73.2	Confident	90 Å²	90	62.5 Å²	62.5	55%	0.552	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.1	130	-175.5	61.5	0	0	0	0	110.1	Y536	Y536-T581 HydrophobicContact CD2-CG2 3.52Å; Y536-T581 HydrophobicContact CE2-CG2 3.89Å
582	M	83	Confident	75.9	Confident	19 Å²	19	59.2 Å²	59.2	9%	0.094	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	127.6	176.3	-176.4	163.8	61.9	0	0	111.3	F405 N408 L427 I534 L535 I584	F405-M582 HydrophobicContact CB-CE 4.47Å; F405-M582 HydrophobicContact CB-SD 4.07Å; F405-M582 HydrophobicContact CD1-CB 4.24Å; F405-M582 HydrophobicContact CD1-CE 3.31Å; F405-M582 HydrophobicContact CD1-SD 3.85Å; F405-M582 HydrophobicContact CD2-CB 4.14Å; F405-M582 HydrophobicContact CD2-SD 4.46Å; F405-M582 HydrophobicContact CE1-CB 3.9Å; F405-M582 HydrophobicContact CE1-CE 3.61Å; F405-M582 HydrophobicContact CE1-SD 4.38Å; F405-M582 HydrophobicContact CE2-CB 3.8Å; F405-M582 HydrophobicContact CG-CB 4.35Å; F405-M582 HydrophobicContact CG-CE 3.99Å; F405-M582 HydrophobicContact CG-SD 3.89Å; F405-M582 HydrophobicContact CZ-CB 3.67Å; F405-M582 HydrophobicContact CZ-CE 4.49Å; N408-M582 HydrophobicContact CB-SD 3.75Å; L427-M582 HydrophobicContact CD1-CE 3.44Å; L427-M582 VanDerWaalsContact CD1-CE 3.44Å; L427-M582 HydrophobicContact CD2-CE 3.44Å; L427-M582 VanDerWaalsContact CD2-CE 3.44Å; L427-M582 HydrophobicContact CG-CE 3.96Å; I534-M582 WeakPolarHBondContact CA-O 3.49Å; L535-M582 PolarHBondContact N-O 3.31Å; L535-M582 PolarHBondContact O-N 2.73Å; L535-M582 VanDerWaalsContact O-N 3.09Å; M582-I584 HydrophobicContact CE-CD1 4.04Å; M582-I584 HydrophobicContact CE-CG1 4.23Å; M582-I584 HydrophobicContact CG-CG1 4.08Å
583	T	83.6	Confident	78.6	Confident	93 Å²	93	54.8 Å²	54.8	57%	0.571	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	171.8	54.5	0	0	0	0	109.4	I534	I534-T583 HydrophobicContact CG1-CG2 4.3Å
584	I	84.5	Confident	81.1	Confident	1 Å²	1	53 Å²	53	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.4	-178.1	-52.2	174.3	0	0	0	108.4	L412 L427 I455 F457 L516 A533 M582	L412-I584 HydrophobicContact CB-CG2 4.44Å; L412-I584 HydrophobicContact CD1-CG2 3.68Å; L412-I584 HydrophobicContact CG-CG2 3.97Å; L427-I584 HydrophobicContact CD1-CD1 3.8Å; L427-I584 HydrophobicContact CD2-CD1 4.26Å; I455-I584 HydrophobicContact CD1-CG2 4.3Å; F457-I584 HydrophobicContact CE1-CD1 3.76Å; F457-I584 HydrophobicContact CZ-CD1 3.93Å; L516-I584 HydrophobicContact CD2-CD1 4Å; A533-I584 PolarHBondContact N-O 2.87Å; A533-I584 PolarHBondContact O-N 3.09Å; M582-I584 HydrophobicContact CE-CD1 4.04Å; M582-I584 HydrophobicContact CE-CG1 4.23Å; M582-I584 HydrophobicContact CG-CG1 4.08Å
585	T	86.4	Confident	83.3	Confident	46 Å²	46	50 Å²	50	28%	0.282	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.4	171.3	-52.3	0	0	0	0	109.2	S410 K411 L412 L532	S410-T585 PolarHBondContact O-N 3.42Å; K411-T585 CarbonylContact C-O 3.5Å; K411-T585 WeakPolarHBondContact CA-O 3.35Å; L412-T585 PolarHBondContact N-O 3.02Å; L532-T585 HydrophobicContact CD2-CG2 4.38Å
586	L	87.2	Confident	85.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113	167.3	177.2	64.4	0	0	0	108.6	L412 I414 I424 I455 Y522 K530 Y531 I588	L412-L586 HydrophobicContact CB-CD1 3.91Å; I414-L586 HydrophobicContact CB-CD1 4.13Å; I414-L586 HydrophobicContact CG2-CD1 3.87Å; I414-L586 HydrophobicContact CG2-CD2 4.19Å; I414-L586 HydrophobicContact CG2-CG 4.23Å; I424-L586 HydrophobicContact CD1-CD1 4.42Å; I424-L586 HydrophobicContact CD1-CD2 4.01Å; I424-L586 HydrophobicContact CG2-CD1 3.78Å; I455-L586 HydrophobicContact CD1-CB 4.26Å; I455-L586 HydrophobicContact CD1-CD2 4.44Å; I455-L586 HydrophobicContact CG1-CD2 4.11Å; Y522-L586 HydrophobicContact CE1-CD2 4.46Å; Y522-L586 HydrophobicContact CE2-CD2 3.86Å; Y522-L586 WeakPolarHBondContact OH-CD2 3.27Å; K530-L586 WeakPolarHBondContact CA-O 3.07Å; Y531-L586 PolarHBondContact N-O 2.82Å; Y531-L586 PolarHBondContact O-N 3.33Å; L586-I588 HydrophobicContact CD2-CD1 4.24Å; L586-I588 HydrophobicContact CG-CD1 4.24Å
587	Q	88.8	Confident	86.6	Confident	45 Å²	45	44.1 Å²	44.1	21%	0.21	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.3	165.5	176.1	171.4	-6.1	0	0	109.4	L412 I413 I414 L589	L412-Q587 PolarHBondContact O-N 3.29Å; I413-Q587 WeakPolarHBondContact CA-O 3.27Å; I414-Q587 PolarHBondContact N-O 3.31Å; I414-Q587 VanDerWaalsContact N-O 3.11Å; Q587-L589 HydrophobicContact CG-CD2 4.44Å
588	I	89.9	Confident	87.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.9	164.1	-49	-53.3	0	0	0	108.1	I414 E416 Y522 R524 D529 Y531 L586	I414-I588 HydrophobicContact CG2-CD1 3.57Å; I414-I588 CarbonylContact O-C 3.49Å; I414-I588 WeakPolarHBondContact O-CA 3.44Å; E416-I588 HydrophobicContact CB-CG2 3.58Å; Y522-I588 HydrophobicContact CD1-CD1 3.83Å; Y522-I588 HydrophobicContact CD2-CD1 3.84Å; Y522-I588 HydrophobicContact CE1-CD1 4.19Å; Y522-I588 HydrophobicContact CE2-CD1 4.2Å; Y522-I588 HydrophobicContact CG-CD1 3.63Å; R524-I588 HydrophobicContact CB-CG2 3.99Å; R524-I588 HydrophobicContact CG-CG2 4.35Å; D529-I588 PolarHBondContact O-N 3.01Å; Y531-I588 HydrophobicContact CD2-CD1 3.84Å; Y531-I588 HydrophobicContact CD2-CG1 3.84Å; Y531-I588 HydrophobicContact CE2-CD1 4.07Å; Y531-I588 HydrophobicContact CE2-CG1 3.88Å; L586-I588 HydrophobicContact CD2-CD1 4.24Å; L586-I588 HydrophobicContact CG-CD1 4.24Å
589	L	88.5	Confident	88	Confident	64 Å²	64	45 Å²	45	34%	0.335	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138	166.2	-57.7	-176.7	0	0	0	110	I413 I414 E416 Q587 E591	I413-L589 HydrophobicContact CG2-CD1 3.56Å; I413-L589 HydrophobicContact CG2-CD2 3.77Å; I413-L589 HydrophobicContact CG2-CG 3.43Å; I413-L589 VanDerWaalsContact CG2-CG 3.43Å; I414-L589 PolarHBondContact O-N 3.22Å; E416-L589 PolarHBondContact N-O 3.26Å; Q587-L589 HydrophobicContact CG-CD2 4.44Å; L589-E591 PolarHBondContact O-N 2.76Å
590	D	88.5	Confident	88.2	Confident	25 Å²	25	47.6 Å²	47.6	13%	0.134	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-55	123.9	167	-162.9	75	0	0	0	110.7	E416 R524 I627 N630	E416-D590 WeakPolarHBondContact OE1-CA 3.31Å; R524-D590 IonicContact CZ-OD1 3.59Å; R524-D590 IonicContact NE-OD1 3.6Å; R524-D590 IonicContact NH1-OD1 2.68Å; R524-D590 PolarHBondContact NH1-OD1 3.44Å; D590-I627 HydrophobicContact CB-CD1 4.26Å; D590-I627 HydrophobicContact CB-CG1 3.75Å; D590-I627 VanDerWaalsContact CG-CG1 3.48Å; D590-I627 WeakPolarHBondContact OD1-CG1 3.44Å; D590-I627 PolarHBondContact OD1-N 2.69Å; D590-I627 VanDerWaalsContact OD1-N 3.13Å; D590-I627 PolarHBondContact OD2-N 2.82Å; D590-N630 WeakPolarHBondContact OD2-CB 3.49Å; D590-N630 PolarHBondContact OD2-ND2 2.79Å
591	E	85.5	Confident	88.4	Confident	51 Å²	51	52.7 Å²	52.7	24%	0.238	28%	0.282	C	S	.	.			trans	-105.2	146.6	158.6	-64.1	-60.2	100.8	0	0	108.3	K415 E416 L589 D593	K415-E591 HydrophobicContact CB-CG 4.11Å; K415-E591 WeakPolarHBondContact CD-OE1 3.24Å; K415-E591 WeakPolarHBondContact CE-OE1 3.2Å; K415-E591 WeakPolarHBondContact CG-OE1 3.33Å; K415-E591 IonicContact NZ-OE1 3.61Å; K415-E591 PolarHBondContact NZ-OE1 3.27Å; K415-E591 IonicContact NZ-OE2 2.65Å; K415-E591 PolarHBondContact NZ-OE2 3.29Å; E416-E591 HydrophobicContact CG-CB 4.01Å; E416-E591 HydrophobicContact CG-CG 4.02Å; E416-E591 PolarHBondContact OE1-N 3.37Å; L589-E591 PolarHBondContact O-N 2.76Å; E591-D593 VanDerWaalsContact C-N 3.34Å; E591-D593 WeakPolarHBondContact O-CB 3.17Å; E591-D593 PolarHBondContact O-N 3.28Å
592	N	86.8	Confident	88.8	Confident	37 Å²	37	52 Å²	52	20%	0.198	28%	0.275	C	S	.	.	S	Bend	trans	-68.1	90.3	175	-159.6	114.3	0	0	0	109.2	D626 N630 D678 G680 H699	N592-D626 VanDerWaalsContact CA-OD2 3.24Å; N592-D626 WeakPolarHBondContact CA-OD2 3.43Å; N592-N630 HydrophobicContact CB-CB 4.25Å; N592-N630 WeakPolarHBondContact OD1-CA 3.41Å; N592-N630 VanDerWaalsContact OD1-CB 3.32Å; N592-N630 WeakPolarHBondContact OD1-CB 3.43Å; N592-N630 VanDerWaalsContact OD1-CG 3.32Å; N592-N630 PolarHBondContact OD1-OD1 2.88Å; N592-D678 PolarHBondContact ND2-OD2 2.87Å; N592-D678 PolarHBondContact OD1-OD2 2.92Å; N592-G680 WeakPolarHBondContact OD1-CA 3.2Å; N592-H699 PolarHBondContact ND2-ND1 3.37Å; N592-H699 PolarHBondContact O-CE1 3.43Å
593	D	86	Confident	89.3	Confident	65 Å²	65	51.9 Å²	51.9	35%	0.348	27%	0.273	S	S	.	.			trans	-120.5	-36.7	-162.1	155.5	-82.8	0	0	0	111.8	N417 E591 D626	N417-D593 PolarHBondContact ND2-OD2 3.46Å; E591-D593 VanDerWaalsContact C-N 3.34Å; E591-D593 WeakPolarHBondContact O-CB 3.17Å; E591-D593 PolarHBondContact O-N 3.28Å; D593-D626 PolarHBondContact N-OD2 3.43Å
594	N	87.6	Confident	89.9	Confident	23 Å²	23	54 Å²	54	12%	0.123	28%	0.275	C	S	.	.	S	Bend	trans	-87.8	161.9	175.5	-65.9	-91.9	0	0	0	111	D624 K625 D626 H699	N594-D624 VanDerWaalsContact CB-OD1 3.26Å; N594-D624 WeakPolarHBondContact CB-OD1 3.2Å; N594-K625 HydrophobicContact CB-CB 4.18Å; N594-K625 HydrophobicContact CB-CG 4.44Å; N594-K625 PolarHBondContact OD1-NZ 2.87Å; N594-D626 VanDerWaalsContact CB-OD1 3.26Å; N594-D626 WeakPolarHBondContact CB-OD1 3.41Å; N594-D626 PolarHBondContact N-OD1 2.95Å; N594-D626 PolarHBondContact N-OD2 2.66Å; N594-D626 PolarHBondContact ND2-OD1 2.8Å; N594-H699 PolarHBondContact O-ND1 2.67Å
595	E	87.7	Confident	90.4	Very high	113 Å²	113	55.3 Å²	55.3	53%	0.528	28%	0.283	S	S	.	.			trans	-113.5	147.4	174.5	65	176.2	-177.3	0	0	110.5	I597 D624 H699	E595-I597 WeakPolarHBondContact O-CG1 3.11Å; E595-I597 PolarHBondContact O-N 3.41Å; E595-I597 VanDerWaalsContact O-N 3.13Å; E595-D624 VanDerWaalsContact C-OD2 3.25Å; E595-H699 HydrophobicContact CB-CB 3.99Å
596	P	92.8	Very high	90.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.295	C	S	.	.			trans	-61.5	116.4	-177.7	-26.8	33.2	0	0	0	112.1	D624 I633 A676 D678 S701	P596-D624 WeakPolarHBondContact CA-OD2 3.38Å; P596-D624 WeakPolarHBondContact CD-OD2 3.31Å; P596-D624 WeakPolarHBondContact CG-OD2 3.45Å; P596-I633 HydrophobicContact CB-CD1 3.89Å; P596-I633 HydrophobicContact CB-CG1 3.97Å; P596-I633 HydrophobicContact CG-CG1 4.22Å; P596-A676 HydrophobicContact CB-CB 3.85Å; P596-D678 HydrophobicContact CG-CB 4.36Å; P596-S701 WeakPolarHBondContact O-CB 3.1Å; P596-S701 PolarHBondContact O-OG 2.77Å
597	I	93	Very high	91.1	Very high	91 Å²	91	58 Å²	58	47%	0.467	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.7	-175.2	-49.4	-172.6	0	0	0	111.3	E595 A622 T623	E595-I597 WeakPolarHBondContact O-CG1 3.11Å; E595-I597 PolarHBondContact O-N 3.41Å; E595-I597 VanDerWaalsContact O-N 3.13Å; I597-A622 CarbonylContact O-C 3.31Å; I597-A622 WeakPolarHBondContact O-CA 3.38Å; I597-A622 WeakPolarHBondContact O-CB 3.39Å; I597-T623 PolarHBondContact N-O 2.89Å; I597-T623 PolarHBondContact O-N 2.89Å
598	F	95.2	Very high	91.2	Very high	16 Å²	16	61.2 Å²	61.2	7%	0.07	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141	169.7	-73.1	-81.4	0	0	0	112.1	K600 Y603 M620 H621 A622 Y635 I674 A676 S701 T703	F598-K600 PolarHBondContact O-N 3.05Å; F598-Y603 HydrophobicContact CB-CE2 4.39Å; F598-Y603 HydrophobicContact CD1-CE2 4.45Å; F598-M620 HydrophobicContact CD1-CE 4.11Å; F598-M620 HydrophobicContact CE1-CB 4.37Å; F598-M620 HydrophobicContact CE1-CE 3.98Å; F598-H621 WeakPolarHBondContact CA-O 3.42Å; F598-H621 WeakPolarHBondContact CD1-O 3.18Å; F598-A622 HydrophobicContact CB-CB 4.49Å; F598-A622 HydrophobicContact CD1-CB 3.87Å; F598-A622 HydrophobicContact CE1-CB 4.22Å; F598-A622 HydrophobicContact CG-CB 4.03Å; F598-Y635 HydrophobicContact CE1-CD1 4.14Å; F598-Y635 AromaticContact CE1-CE1 3.95Å; F598-Y635 HydrophobicContact CE1-CE1 3.95Å; F598-Y635 HydrophobicContact CZ-CD1 4.45Å; F598-I674 HydrophobicContact CE1-CG2 4.07Å; F598-I674 HydrophobicContact CZ-CB 4.21Å; F598-I674 HydrophobicContact CZ-CG2 3.88Å; F598-A676 HydrophobicContact CD2-CB 4.45Å; F598-A676 HydrophobicContact CE1-CB 4.29Å; F598-A676 HydrophobicContact CE2-CB 3.59Å; F598-A676 HydrophobicContact CZ-CB 3.49Å; F598-A676 VanDerWaalsContact CZ-CB 3.49Å; F598-S701 WeakPolarHBondContact CD2-OG 3.16Å; F598-S701 WeakPolarHBondContact CE2-OG 3.46Å; F598-T703 HydrophobicContact CB-CG2 4.19Å; F598-T703 HydrophobicContact CD1-CG2 3.49Å; F598-T703 VanDerWaalsContact CD1-CG2 3.49Å; F598-T703 HydrophobicContact CD2-CG2 3.66Å; F598-T703 HydrophobicContact CE1-CG2 3.63Å; F598-T703 HydrophobicContact CE2-CG2 3.79Å; F598-T703 HydrophobicContact CG-CG2 3.51Å; F598-T703 HydrophobicContact CZ-CG2 3.77Å
599	D	92.5	Very high	91.3	Very high	94 Å²	94	61.2 Å²	61.2	50%	0.503	31%	0.311	S	S	.	.	S	Bend	trans	-52.9	-26.8	178.8	-50.3	-16.2	0	0	0	114.2	Y603 H621	D599-Y603 WeakPolarHBondContact CB-OH 3.25Å; D599-Y603 PolarHBondContact N-OH 2.73Å; D599-H621 PolarHBondContact N-O 3.11Å; D599-H621 IonicContact OD1-CE1 2.71Å; D599-H621 IonicContact OD1-CG 3.31Å; D599-H621 IonicContact OD1-ND1 2.7Å; D599-H621 PolarHBondContact OD1-ND1 2.92Å; D599-H621 IonicContact OD2-CG 3.21Å; D599-H621 IonicContact OD2-ND1 2.92Å
600	K	91.3	Very high	91.3	Very high	113 Å²	113	61.9 Å²	61.9	49%	0.491	32%	0.315	S	S	.	.			trans	-143.7	139.9	-174.8	-61.3	169.3	-170.1	156	0	110.3	F598 L602 Y603 T703	F598-K600 PolarHBondContact O-N 3.05Å; K600-L602 PolarHBondContact O-N 2.8Å; K600-Y603 HydrophobicContact CB-CD2 4.17Å; K600-Y603 HydrophobicContact CB-CE1 4.35Å; K600-Y603 HydrophobicContact CB-CE2 3.84Å; K600-Y603 HydrophobicContact CD-CD1 4.24Å; K600-Y603 HydrophobicContact CD-CE1 4.05Å; K600-Y603 VanDerWaalsContact O-CE2 3.23Å; K600-Y603 WeakPolarHBondContact O-CE2 3.24Å; K600-T703 PolarHBondContact O-OG1 3.45Å
601	P	91.2	Very high	91.4	Very high	118 Å²	118	61.6 Å²	61.6	77%	0.766	32%	0.315	S	S	*	.	S	Bend	trans	-75.8	-12.1	172.7	32.4	-36.6	0	0	0	113.2	T703 Q704	P601-T703 VanDerWaalsContact C-OG1 3.24Å; P601-T703 PolarHBondContact O-OG1 2.7Å; P601-Q704 PolarHBondContact O-N 2.73Å
602	L	93.9	Very high	91.7	Very high	77 Å²	77	63.3 Å²	63.3	40%	0.403	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	119.2	177.6	178.1	64.3	0	0	0	109.9	K600 K604 Q704 I706	K600-L602 PolarHBondContact O-N 2.8Å; L602-K604 HydrophobicContact CG-CG 4.44Å; L602-Q704 CarbonylContact C-O 3.56Å; L602-Q704 WeakPolarHBondContact CA-O 3.12Å; L602-Q704 HydrophobicContact CD1-CB 3.71Å; L602-I706 HydrophobicContact CD1-CD1 3.92Å; L602-I706 HydrophobicContact CD1-CG1 3.95Å
603	Y	95.3	Very high	91.8	Very high	15 Å²	15	69.2 Å²	69.2	6%	0.059	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145	168.6	-67.7	-100.7	0	0	0	109.8	F598 D599 K600 I618 M620 H621 T703 Q704 I706	F598-Y603 HydrophobicContact CB-CE2 4.39Å; F598-Y603 HydrophobicContact CD1-CE2 4.45Å; D599-Y603 WeakPolarHBondContact CB-OH 3.25Å; D599-Y603 PolarHBondContact N-OH 2.73Å; K600-Y603 HydrophobicContact CB-CD2 4.17Å; K600-Y603 HydrophobicContact CB-CE1 4.35Å; K600-Y603 HydrophobicContact CB-CE2 3.84Å; K600-Y603 HydrophobicContact CD-CD1 4.24Å; K600-Y603 HydrophobicContact CD-CE1 4.05Å; K600-Y603 VanDerWaalsContact O-CE2 3.23Å; K600-Y603 WeakPolarHBondContact O-CE2 3.24Å; Y603-I618 HydrophobicContact CD1-CD1 3.97Å; Y603-M620 HydrophobicContact CD2-CE 3.58Å; Y603-M620 HydrophobicContact CE1-CE 4.49Å; Y603-M620 HydrophobicContact CE2-CE 3.57Å; Y603-M620 HydrophobicContact CG-CE 4.07Å; Y603-H621 PolarHBondContact OH-O 3.16Å; Y603-T703 HydrophobicContact CD2-CG2 3.94Å; Y603-T703 HydrophobicContact CE2-CG2 3.86Å; Y603-Q704 PolarHBondContact N-O 2.79Å; Y603-I706 PolarHBondContact O-N 3.26Å
604	K	95.5	Very high	92.1	Very high	138 Å²	138	70 Å²	70	60%	0.6	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	135.1	171.4	-62.5	-168.2	179.6	-172.2	0	108.9	L602 I706	L602-K604 HydrophobicContact CG-CG 4.44Å; K604-I706 WeakPolarHBondContact CA-O 3.17Å; K604-I706 HydrophobicContact CG-CB 4.42Å
605	V	94.9	Very high	92.4	Very high	28 Å²	28	71.2 Å²	71.2	17%	0.17	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.1	178.6	69.7	0	0	0	0	109.9	I617 I618 L705 I706 I707 H708	V605-I617 HydrophobicContact CG1-CG2 3.82Å; V605-I617 HydrophobicContact CG2-CG2 4.27Å; V605-I618 HydrophobicContact CB-CD1 4.37Å; V605-L705 HydrophobicContact CG1-CD1 3.92Å; V605-I706 PolarHBondContact N-O 3.13Å; V605-I707 HydrophobicContact CG1-CB 4.21Å; V605-I707 HydrophobicContact CG1-CG1 3.83Å; V605-I707 HydrophobicContact CG1-CG2 4.18Å; V605-I707 WeakPolarHBondContact O-CA 3.39Å; V605-H708 PolarHBondContact O-N 3.33Å
606	T	94.2	Very high	92.7	Very high	88 Å²	88	71.4 Å²	71.4	54%	0.54	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.8	172.8	49.6	0	0	0	0	109	H708 L710	T606-H708 CarbonylContact C-O 3.56Å; T606-H708 VanDerWaalsContact CA-O 3.32Å; T606-H708 WeakPolarHBondContact CA-O 3.46Å; T606-L710 HydrophobicContact CG2-CD2 3.99Å; T606-L710 HydrophobicContact CG2-CG 4.45Å
607	F	93.9	Very high	92.7	Very high	14 Å²	14	72.3 Å²	72.3	6%	0.061	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.5	-177.7	-174	-118.9	0	0	0	110.2	T615 I617 N658 I662 I707 H708 M709 L710	F607-T615 HydrophobicContact CE2-CG2 3.82Å; F607-T615 HydrophobicContact CZ-CG2 4.25Å; F607-I617 HydrophobicContact CB-CG2 4.16Å; F607-I617 HydrophobicContact CD1-CD1 4.01Å; F607-I617 HydrophobicContact CD1-CG1 4.48Å; F607-I617 HydrophobicContact CD2-CB 4.34Å; F607-I617 HydrophobicContact CD2-CD1 4.26Å; F607-I617 HydrophobicContact CD2-CG1 3.86Å; F607-I617 HydrophobicContact CD2-CG2 4.04Å; F607-I617 HydrophobicContact CE1-CD1 3.98Å; F607-I617 HydrophobicContact CE1-CG1 4.36Å; F607-I617 HydrophobicContact CE2-CD1 4.25Å; F607-I617 HydrophobicContact CE2-CG1 3.74Å; F607-I617 HydrophobicContact CG-CD1 4.15Å; F607-I617 HydrophobicContact CG-CG1 4.24Å; F607-I617 HydrophobicContact CG-CG2 4.15Å; F607-I617 HydrophobicContact CZ-CD1 4.1Å; F607-I617 HydrophobicContact CZ-CG1 3.99Å; F607-N658 HydrophobicContact CE1-CB 4.1Å; F607-N658 HydrophobicContact CZ-CB 4.19Å; F607-I662 HydrophobicContact CE1-CD1 4.48Å; F607-I707 HydrophobicContact CB-CG2 3.75Å; F607-H708 PolarHBondContact N-O 2.76Å; F607-M709 HydrophobicContact CB-SD 4.39Å; F607-M709 HydrophobicContact CD1-CE 3.9Å; F607-M709 HydrophobicContact CD1-SD 4.04Å; F607-M709 CarbonylContact O-C 3.6Å; F607-M709 VanDerWaalsContact O-CA 3.3Å; F607-M709 WeakPolarHBondContact O-CA 3.43Å; F607-L710 PolarHBondContact O-N 3.46Å
608	K	91.6	Very high	92.8	Very high	113 Å²	113	69.5 Å²	69.5	49%	0.491	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.3	-178.2	-164	177.6	-178.5	173.9	0	110.1	S611 V712	K608-S611 VanDerWaalsContact O-CB 3.3Å; K608-S611 WeakPolarHBondContact O-CB 3.46Å; K608-S611 PolarHBondContact O-OG 3.39Å; K608-V712 HydrophobicContact CD-CG2 4.07Å; K608-V712 HydrophobicContact CG-CG2 3.7Å
609	E	91.3	Very high	92.8	Very high	3 Å²	3	73.2 Å²	73.2	1%	0.014	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	168.7	170.5	79.2	-173.1	118.6	0	0	111.9	S611 I662 R664 M709 L710 D711 V712	E609-S611 PolarHBondContact O-N 3.27Å; E609-I662 WeakPolarHBondContact CB-O 3.46Å; E609-R664 HydrophobicContact CB-CB 4.4Å; E609-R664 VanDerWaalsContact CD-CB 3.48Å; E609-R664 WeakPolarHBondContact OE1-CB 3.38Å; E609-R664 WeakPolarHBondContact OE2-CB 3.29Å; E609-R664 PolarHBondContact OE2-N 3.28Å; E609-M709 HydrophobicContact CB-CE 3.79Å; E609-L710 PolarHBondContact N-O 3.25Å; E609-D711 WeakPolarHBondContact OE1-CA 3.36Å; E609-V712 HydrophobicContact CG-CB 3.78Å; E609-V712 HydrophobicContact CG-CG2 3.69Å; E609-V712 PolarHBondContact OE1-N 3.3Å
610	N	88.1	Confident	92.9	Very high	78 Å²	78	68.8 Å²	68.8	42%	0.417	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	17.1	-172.7	-71.1	-56.6	0	0	0	114.5	I662 D714	N610-I662 PolarHBondContact N-O 3Å; N610-D714 PolarHBondContact ND2-OD2 2.7Å
611	S	91	Very high	93.1	Very high	18 Å²	18	67.7 Å²	67.7	13%	0.126	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.6	133.8	176.5	-74.3	0	0	0	0	111.2	K608 E609 N658	K608-S611 VanDerWaalsContact O-CB 3.3Å; K608-S611 WeakPolarHBondContact O-CB 3.46Å; K608-S611 PolarHBondContact O-OG 3.39Å; E609-S611 PolarHBondContact O-N 3.27Å; S611-N658 PolarHBondContact O-ND2 3.44Å
612	P	91	Very high	93.2	Very high	88 Å²	88	62.3 Å²	62.3	57%	0.571	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-54.3	147.3	-177.4	-28.3	35.1	0	0	0	114.1	T615 N658	P612-T615 WeakPolarHBondContact O-CB 3.09Å; P612-T615 PolarHBondContact O-N 3.08Å; P612-T615 PolarHBondContact O-OG1 3.46Å; P612-N658 PolarHBondContact O-ND2 2.82Å; P612-N658 VanDerWaalsContact O-ND2 3.11Å; P612-N658 PolarHBondContact O-OD1 3.01Å; P612-N658 VanDerWaalsContact O-OD1 3.07Å
613	R	89.8	Confident	93.1	Very high	161 Å²	161	62.2 Å²	62.2	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	135.2	178.9	-159.6	-176.5	-160.4	-172.2	8.4	112.9	T659	R613-T659 VanDerWaalsContact CZ-O 3.24Å; R613-T659 PolarHBondContact NE-O 2.67Å; R613-T659 PolarHBondContact NH2-O 2.82Å
614	N	91.5	Very high	93	Very high	82 Å²	82	62.8 Å²	62.8	44%	0.439	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	22.5	-174.3	-41.6	-90.9	0	0	0	115.3	K648 L657 N658	N614-K648 WeakPolarHBondContact OD1-CE 3.25Å; N614-K648 PolarHBondContact OD1-NZ 3.35Å; N614-L657 WeakPolarHBondContact O-CD2 3.5Å; N614-N658 WeakPolarHBondContact CA-O 3.31Å; N614-N658 PolarHBondContact N-O 2.97Å; N614-N658 PolarHBondContact N-OD1 2.87Å; N614-N658 VanDerWaalsContact N-OD1 3.08Å
615	T	94.1	Very high	92.8	Very high	48 Å²	48	62 Å²	62	29%	0.294	31%	0.311	S	S	.	.			trans	-66.2	136.5	165.6	-60.9	0	0	0	0	110	F607 P612 L657 N658	F607-T615 HydrophobicContact CE2-CG2 3.82Å; F607-T615 HydrophobicContact CZ-CG2 4.25Å; P612-T615 WeakPolarHBondContact O-CB 3.09Å; P612-T615 PolarHBondContact O-N 3.08Å; P612-T615 PolarHBondContact O-OG1 3.46Å; T615-L657 WeakPolarHBondContact O-CA 3.47Å; T615-N658 PolarHBondContact N-OD1 2.83Å; T615-N658 PolarHBondContact O-N 3.03Å; T615-N658 PolarHBondContact O-OD1 2.88Å
616	K	93.9	Very high	92.6	Very high	116 Å²	116	61 Å²	61	50%	0.504	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.6	176.1	-79.1	-175.7	170.5	-154.6	0	110.7	W655 L657	K616-W655 HydrophobicContact CB-CD2 4.45Å; K616-W655 HydrophobicContact CB-CE3 3.64Å; K616-W655 HydrophobicContact CB-CZ3 3.68Å; K616-W655 HydrophobicContact CD-CD2 3.61Å; K616-W655 HydrophobicContact CD-CE3 3.67Å; K616-W655 HydrophobicContact CD-CG 4.17Å; K616-W655 HydrophobicContact CD-CH2 4.2Å; K616-W655 HydrophobicContact CD-CZ2 4.16Å; K616-W655 HydrophobicContact CD-CZ3 3.97Å; K616-W655 HydrophobicContact CG-CD2 4.04Å; K616-W655 HydrophobicContact CG-CE3 3.71Å; K616-W655 HydrophobicContact CG-CZ3 4.16Å; K616-W655 VanDerWaalsContact NZ-CD1 3.35Å; K616-W655 VanDerWaalsContact NZ-NE1 3.19Å; K616-L657 HydrophobicContact CB-CD2 4.41Å; K616-L657 HydrophobicContact CG-CD2 3.61Å
617	I	94.2	Very high	92.2	Very high	19 Å²	19	60 Å²	60	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-57	-177.3	-50.5	-172.4	0	0	0	110.8	V605 F607 F647 I656 N658 I707	V605-I617 HydrophobicContact CG1-CG2 3.82Å; V605-I617 HydrophobicContact CG2-CG2 4.27Å; F607-I617 HydrophobicContact CB-CG2 4.16Å; F607-I617 HydrophobicContact CD1-CD1 4.01Å; F607-I617 HydrophobicContact CD1-CG1 4.48Å; F607-I617 HydrophobicContact CD2-CB 4.34Å; F607-I617 HydrophobicContact CD2-CD1 4.26Å; F607-I617 HydrophobicContact CD2-CG1 3.86Å; F607-I617 HydrophobicContact CD2-CG2 4.04Å; F607-I617 HydrophobicContact CE1-CD1 3.98Å; F607-I617 HydrophobicContact CE1-CG1 4.36Å; F607-I617 HydrophobicContact CE2-CD1 4.25Å; F607-I617 HydrophobicContact CE2-CG1 3.74Å; F607-I617 HydrophobicContact CG-CD1 4.15Å; F607-I617 HydrophobicContact CG-CG1 4.24Å; F607-I617 HydrophobicContact CG-CG2 4.15Å; F607-I617 HydrophobicContact CZ-CD1 4.1Å; F607-I617 HydrophobicContact CZ-CG1 3.99Å; I617-F647 HydrophobicContact CD1-CD1 3.51Å; I617-F647 HydrophobicContact CD1-CE1 3.44Å; I617-F647 VanDerWaalsContact CD1-CE1 3.44Å; I617-I656 HydrophobicContact CB-CG2 4.49Å; I617-I656 HydrophobicContact CD1-CG2 4.35Å; I617-I656 PolarHBondContact N-O 2.98Å; I617-N658 HydrophobicContact CD1-CB 4.37Å; I617-I707 HydrophobicContact CD1-CD1 4.28Å; I617-I707 HydrophobicContact CG2-CD1 4.41Å
618	I	95.3	Very high	91.8	Very high	32 Å²	32	67.4 Å²	67.4	16%	0.164	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	150.7	179.6	-170.3	165.1	0	0	0	109.1	Y603 V605 M620 W655 I656 L705	Y603-I618 HydrophobicContact CD1-CD1 3.97Å; V605-I618 HydrophobicContact CB-CD1 4.37Å; I618-M620 HydrophobicContact CG2-SD 4.17Å; I618-W655 VanDerWaalsContact C-CE3 3.49Å; I618-I656 HydrophobicContact CG2-CB 4.23Å; I618-I656 HydrophobicContact CG2-CD1 4.08Å; I618-I656 PolarHBondContact O-N 2.88Å; I618-L705 HydrophobicContact CD1-CD1 4.3Å; I618-L705 HydrophobicContact CG2-CD1 4.16Å; I618-L705 HydrophobicContact CG2-CD2 3.68Å
619	Q	95.3	Very high	91.4	Very high	95 Å²	95	66.6 Å²	66.6	44%	0.444	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.7	167.7	-163.8	173	-2.6	0	0	109	T653 W655	Q619-T653 WeakPolarHBondContact CG-O 3.36Å; Q619-T653 PolarHBondContact NE2-O 3.06Å; Q619-W655 HydrophobicContact CB-CD2 3.79Å; Q619-W655 HydrophobicContact CB-CE3 3.98Å; Q619-W655 HydrophobicContact CB-CG 4.37Å; Q619-W655 HydrophobicContact CB-CH2 4Å; Q619-W655 HydrophobicContact CB-CZ2 3.79Å; Q619-W655 HydrophobicContact CB-CZ3 4.08Å; Q619-W655 HydrophobicContact CG-CD2 4.04Å; Q619-W655 HydrophobicContact CG-CG 4.14Å; Q619-W655 HydrophobicContact CG-CZ2 4.33Å; Q619-W655 VanDerWaalsContact OE1-NE1 3.15Å
620	M	94.6	Very high	91.1	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.333	C	S	.	.			trans	-82.8	140.7	171.2	-57.7	-56.9	-53.5	0	0	109.3	F598 Y603 I618 Y635 I649 G654 I656 I674 T703 L705	F598-M620 HydrophobicContact CD1-CE 4.11Å; F598-M620 HydrophobicContact CE1-CB 4.37Å; F598-M620 HydrophobicContact CE1-CE 3.98Å; Y603-M620 HydrophobicContact CD2-CE 3.58Å; Y603-M620 HydrophobicContact CE1-CE 4.49Å; Y603-M620 HydrophobicContact CE2-CE 3.57Å; Y603-M620 HydrophobicContact CG-CE 4.07Å; I618-M620 HydrophobicContact CG2-SD 4.17Å; M620-Y635 HydrophobicContact CB-CD1 4.17Å; M620-Y635 HydrophobicContact CB-CE1 4.23Å; M620-I649 HydrophobicContact CB-CD1 4.34Å; M620-I649 HydrophobicContact CG-CD1 3.91Å; M620-G654 WeakPolarHBondContact CB-O 2.9Å; M620-G654 PolarHBondContact N-O 3.37Å; M620-I656 HydrophobicContact CG-CD1 3.55Å; M620-I656 HydrophobicContact CG-CG1 4.08Å; M620-I656 HydrophobicContact SD-CD1 3.8Å; M620-I674 HydrophobicContact CB-CG2 4.41Å; M620-I674 HydrophobicContact CE-CB 4.13Å; M620-I674 HydrophobicContact CE-CG1 3.82Å; M620-I674 HydrophobicContact CE-CG2 4.25Å; M620-I674 HydrophobicContact CG-CG1 4.29Å; M620-I674 HydrophobicContact CG-CG2 4.01Å; M620-I674 HydrophobicContact SD-CG1 4.09Å; M620-T703 HydrophobicContact CE-CG2 3.44Å; M620-T703 VanDerWaalsContact CE-CG2 3.44Å; M620-L705 HydrophobicContact SD-CD2 4.45Å
621	H	93.9	Very high	91.1	Very high	89 Å²	89	65.4 Å²	65.4	41%	0.412	33%	0.327	S	S	.	.			trans	-138.3	132.1	179.2	-174.5	-96.7	0	0	0	109.8	F598 D599 Y603	F598-H621 WeakPolarHBondContact CA-O 3.42Å; F598-H621 WeakPolarHBondContact CD1-O 3.18Å; D599-H621 PolarHBondContact N-O 3.11Å; D599-H621 IonicContact OD1-CE1 2.71Å; D599-H621 IonicContact OD1-CG 3.31Å; D599-H621 IonicContact OD1-ND1 2.7Å; D599-H621 PolarHBondContact OD1-ND1 2.92Å; D599-H621 IonicContact OD2-CG 3.21Å; D599-H621 IonicContact OD2-ND1 2.92Å; Y603-H621 PolarHBondContact OH-O 3.16Å
622	A	93.1	Very high	90.9	Very high	6 Å²	6	68.8 Å²	68.8	5%	0.05	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.5	170.8	0	0	0	0	0	109.2	I597 F598 I633 Y635 A676	I597-A622 CarbonylContact O-C 3.31Å; I597-A622 WeakPolarHBondContact O-CA 3.38Å; I597-A622 WeakPolarHBondContact O-CB 3.39Å; F598-A622 HydrophobicContact CB-CB 4.49Å; F598-A622 HydrophobicContact CD1-CB 3.87Å; F598-A622 HydrophobicContact CE1-CB 4.22Å; F598-A622 HydrophobicContact CG-CB 4.03Å; A622-I633 VanDerWaalsContact C-CD1 3.47Å; A622-I633 HydrophobicContact CB-CD1 4Å; A622-I633 VanDerWaalsContact O-CD1 3.25Å; A622-I633 WeakPolarHBondContact O-CD1 3.48Å; A622-Y635 HydrophobicContact CB-CE1 4.2Å; A622-Y635 PolarHBondContact N-OH 2.92Å; A622-A676 HydrophobicContact CB-CB 4.22Å
623	T	93.3	Very high	90.9	Very high	74 Å²	74	65.9 Å²	65.9	45%	0.454	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132	178.6	57.2	0	0	0	0	110.4	I597	I597-T623 PolarHBondContact N-O 2.89Å; I597-T623 PolarHBondContact O-N 2.89Å
624	D	92.3	Very high	90.9	Very high	27 Å²	27	62.4 Å²	62.4	14%	0.144	31%	0.308	C	S	.	.			trans	-99.3	166.9	165.1	-140	-54.7	0	0	0	110.1	N594 E595 P596 I633	N594-D624 VanDerWaalsContact CB-OD1 3.26Å; N594-D624 WeakPolarHBondContact CB-OD1 3.2Å; E595-D624 VanDerWaalsContact C-OD2 3.25Å; P596-D624 WeakPolarHBondContact CA-OD2 3.38Å; P596-D624 WeakPolarHBondContact CD-OD2 3.31Å; P596-D624 WeakPolarHBondContact CG-OD2 3.45Å; D624-I633 HydrophobicContact CB-CD1 4.25Å; D624-I633 HydrophobicContact CB-CG1 4.4Å
625	K	90.6	Very high	90.9	Very high	122 Å²	122	59.4 Å²	59.4	53%	0.53	29%	0.29	S	S	.	.	S	Bend	trans	-107.9	-21.1	177.5	-54.6	-159	-145	113.7	0	114.7	E525 N594	E525-K625 HydrophobicContact CB-CB 4.43Å; E525-K625 HydrophobicContact CB-CD 4.39Å; E525-K625 HydrophobicContact CG-CB 3.61Å; E525-K625 HydrophobicContact CG-CD 4.41Å; E525-K625 WeakPolarHBondContact CG-O 3.34Å; N594-K625 HydrophobicContact CB-CB 4.18Å; N594-K625 HydrophobicContact CB-CG 4.44Å; N594-K625 PolarHBondContact OD1-NZ 2.87Å
626	D	90.8	Very high	90.7	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	29%	0.287	C	S	.	.	S	Bend	trans	-63.6	-171	179.6	-59.5	0.2	0	0	0	110.4	N592 D593 N594 N630 A631	N592-D626 VanDerWaalsContact CA-OD2 3.24Å; N592-D626 WeakPolarHBondContact CA-OD2 3.43Å; D593-D626 PolarHBondContact N-OD2 3.43Å; N594-D626 VanDerWaalsContact CB-OD1 3.26Å; N594-D626 WeakPolarHBondContact CB-OD1 3.41Å; N594-D626 PolarHBondContact N-OD1 2.95Å; N594-D626 PolarHBondContact N-OD2 2.66Å; N594-D626 PolarHBondContact ND2-OD1 2.8Å; D626-N630 HydrophobicContact CB-CB 3.72Å; D626-A631 WeakPolarHBondContact O-CB 3.35Å
627	I	87.3	Confident	90.4	Very high	68 Å²	68	53.4 Å²	53.4	35%	0.349	26%	0.264	S	S	.	.			trans	-123.2	165.8	176.1	55.7	164.9	0	0	0	116	D590 E629 N630 A631	D590-I627 HydrophobicContact CB-CD1 4.26Å; D590-I627 HydrophobicContact CB-CG1 3.75Å; D590-I627 VanDerWaalsContact CG-CG1 3.48Å; D590-I627 WeakPolarHBondContact OD1-CG1 3.44Å; D590-I627 PolarHBondContact OD1-N 2.69Å; D590-I627 VanDerWaalsContact OD1-N 3.13Å; D590-I627 PolarHBondContact OD2-N 2.82Å; I627-E629 PolarHBondContact O-N 2.76Å; I627-E629 VanDerWaalsContact O-N 3.11Å; I627-N630 PolarHBondContact O-N 3.42Å; I627-A631 PolarHBondContact O-N 2.92Å
628	E	84.5	Confident	89.7	Confident	169 Å²	169	56.2 Å²	56.2	79%	0.79	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-109.4	171.5	-59.5	-172.6	167.1	0	0	112.6
629	E	83.9	Confident	88.1	Confident	95 Å²	95	62.5 Å²	62.5	44%	0.444	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-36.3	-179.4	-64.6	-175.4	-156	0	0	112.1	I627 A631 Q632 G679 Y681	I627-E629 PolarHBondContact O-N 2.76Å; I627-E629 VanDerWaalsContact O-N 3.11Å; E629-A631 PolarHBondContact O-N 3.45Å; E629-Q632 WeakPolarHBondContact O-CB 3.22Å; E629-Q632 PolarHBondContact O-N 3.48Å; E629-G679 CarbonylContact O-C 3.59Å; E629-G679 VanDerWaalsContact O-C 3.29Å; E629-G679 WeakPolarHBondContact O-CA 3.39Å; E629-G679 PolarHBondContact O-N 2.97Å; E629-G679 VanDerWaalsContact O-N 3.1Å; E629-Y681 WeakPolarHBondContact OE2-CD2 3.02Å; E629-Y681 VanDerWaalsContact OE2-CE2 3.27Å; E629-Y681 WeakPolarHBondContact OE2-CE2 3.3Å
630	N	84.6	Confident	86.4	Confident	22 Å²	22	64.3 Å²	64.3	12%	0.118	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.9	175	-59.8	-16.6	0	0	0	111	D590 N592 D626 I627 Q632 D678	D590-N630 WeakPolarHBondContact OD2-CB 3.49Å; D590-N630 PolarHBondContact OD2-ND2 2.79Å; N592-N630 HydrophobicContact CB-CB 4.25Å; N592-N630 WeakPolarHBondContact OD1-CA 3.41Å; N592-N630 VanDerWaalsContact OD1-CB 3.32Å; N592-N630 WeakPolarHBondContact OD1-CB 3.43Å; N592-N630 VanDerWaalsContact OD1-CG 3.32Å; N592-N630 PolarHBondContact OD1-OD1 2.88Å; D626-N630 HydrophobicContact CB-CB 3.72Å; I627-N630 PolarHBondContact O-N 3.42Å; N630-Q632 VanDerWaalsContact C-N 3.32Å; N630-Q632 PolarHBondContact O-N 2.85Å; N630-D678 VanDerWaalsContact O-CB 3.31Å; N630-D678 WeakPolarHBondContact O-CB 3.43Å
631	A	87.3	Confident	84.8	Confident	35 Å²	35	65.5 Å²	65.5	29%	0.289	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-9.5	172.5	0	0	0	0	0	115.2	D626 I627 E629 I633	D626-A631 WeakPolarHBondContact O-CB 3.35Å; I627-A631 PolarHBondContact O-N 2.92Å; E629-A631 PolarHBondContact O-N 3.45Å; A631-I633 PolarHBondContact O-N 2.98Å
632	Q	88.4	Confident	82.9	Confident	89 Å²	89	66.5 Å²	66.5	42%	0.416	33%	0.33	S	S	.	.			trans	-84.3	90.1	-164.9	-165.5	179.2	21.9	0	0	112.5	E629 N630 Y634 D678 G679	E629-Q632 WeakPolarHBondContact O-CB 3.22Å; E629-Q632 PolarHBondContact O-N 3.48Å; N630-Q632 VanDerWaalsContact C-N 3.32Å; N630-Q632 PolarHBondContact O-N 2.85Å; Q632-Y634 HydrophobicContact CB-CE2 4.28Å; Q632-Y634 HydrophobicContact CG-CE2 3.9Å; Q632-Y634 PolarHBondContact NE2-OH 3.49Å; Q632-Y634 WeakPolarHBondContact O-CD2 3.43Å; Q632-Y634 WeakPolarHBondContact O-CE2 3.43Å; Q632-Y634 PolarHBondContact O-N 2.79Å; Q632-Y634 PolarHBondContact OE1-OH 2.86Å; Q632-D678 CarbonylContact O-C 3.58Å; Q632-D678 VanDerWaalsContact O-C 3.31Å; Q632-G679 PolarHBondContact O-N 2.86Å; Q632-G679 VanDerWaalsContact O-N 3.07Å
633	I	89.6	Confident	81.1	Confident	26 Å²	26	73.2 Å²	73.2	13%	0.133	37%	0.365	C	S	.	.			trans	-70.3	127.5	-177.7	-61.8	170.2	0	0	0	112.8	P596 A622 D624 A631 Y635 A676 I677	P596-I633 HydrophobicContact CB-CD1 3.89Å; P596-I633 HydrophobicContact CB-CG1 3.97Å; P596-I633 HydrophobicContact CG-CG1 4.22Å; A622-I633 VanDerWaalsContact C-CD1 3.47Å; A622-I633 HydrophobicContact CB-CD1 4Å; A622-I633 VanDerWaalsContact O-CD1 3.25Å; A622-I633 WeakPolarHBondContact O-CD1 3.48Å; D624-I633 HydrophobicContact CB-CD1 4.25Å; D624-I633 HydrophobicContact CB-CG1 4.4Å; A631-I633 PolarHBondContact O-N 2.98Å; I633-Y635 HydrophobicContact CG2-CD1 4.44Å; I633-Y635 HydrophobicContact CG2-CD2 4.34Å; I633-Y635 HydrophobicContact CG2-CE1 3.98Å; I633-Y635 HydrophobicContact CG2-CE2 3.87Å; I633-A676 HydrophobicContact CG2-CB 4.01Å; I633-I677 CarbonylContact C-O 3.56Å; I633-I677 WeakPolarHBondContact CA-O 3.1Å
634	Y	90.8	Very high	79.6	Confident	88 Å²	88	71.9 Å²	71.9	35%	0.345	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135	167.2	-64	-84.7	0	0	0	111.2	Q632 P651 I677	Q632-Y634 HydrophobicContact CB-CE2 4.28Å; Q632-Y634 HydrophobicContact CG-CE2 3.9Å; Q632-Y634 PolarHBondContact NE2-OH 3.49Å; Q632-Y634 WeakPolarHBondContact O-CD2 3.43Å; Q632-Y634 WeakPolarHBondContact O-CE2 3.43Å; Q632-Y634 PolarHBondContact O-N 2.79Å; Q632-Y634 PolarHBondContact OE1-OH 2.86Å; Y634-P651 WeakPolarHBondContact CA-O 3.48Å; Y634-I677 PolarHBondContact N-O 2.87Å; Y634-I677 PolarHBondContact O-N 2.7Å
635	Y	91.8	Very high	78.6	Confident	19 Å²	19	74.5 Å²	74.5	8%	0.075	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.2	-179.1	-59.8	-86.8	0	0	0	112.4	F598 M620 A622 I633 I649 P651	F598-Y635 HydrophobicContact CE1-CD1 4.14Å; F598-Y635 AromaticContact CE1-CE1 3.95Å; F598-Y635 HydrophobicContact CE1-CE1 3.95Å; F598-Y635 HydrophobicContact CZ-CD1 4.45Å; M620-Y635 HydrophobicContact CB-CD1 4.17Å; M620-Y635 HydrophobicContact CB-CE1 4.23Å; A622-Y635 HydrophobicContact CB-CE1 4.2Å; A622-Y635 PolarHBondContact N-OH 2.92Å; I633-Y635 HydrophobicContact CG2-CD1 4.44Å; I633-Y635 HydrophobicContact CG2-CD2 4.34Å; I633-Y635 HydrophobicContact CG2-CE1 3.98Å; I633-Y635 HydrophobicContact CG2-CE2 3.87Å; Y635-I649 HydrophobicContact CG-CD1 4.49Å; Y635-P651 PolarHBondContact N-O 3.3Å; Y635-P651 VanDerWaalsContact O-CA 3.27Å; Y635-P651 WeakPolarHBondContact O-CA 3.35Å; Y635-P651 WeakPolarHBondContact O-CB 3.41Å
636	S	89	Confident	78.4	Confident	32 Å²	32	72.2 Å²	72.2	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	160.1	174.5	57.8	0	0	0	0	112.9	L675	S636-L675 PolarHBondContact N-O 2.91Å; S636-L675 PolarHBondContact O-N 2.97Å
637	L	87.9	Confident	78.5	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.031	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	141.1	165.3	-61.2	177.9	0	0	0	108.4	L642 F647 I649 L672 I674	L637-L642 HydrophobicContact CB-CD2 3.98Å; L637-F647 HydrophobicContact CD1-CB 4.44Å; L637-I649 HydrophobicContact CD2-CB 4.49Å; L637-I649 HydrophobicContact CD2-CG2 4.49Å; L637-I649 HydrophobicContact CG-CB 4.37Å; L637-I649 HydrophobicContact CG-CG2 4.03Å; L637-L672 HydrophobicContact CD2-CB 4.45Å; L637-L672 HydrophobicContact CD2-CD1 4.34Å; L637-I674 HydrophobicContact CD2-CD1 3.44Å; L637-I674 VanDerWaalsContact CD2-CD1 3.44Å
638	Q	78.9	Confident	78.6	Confident	78 Å²	78	73 Å²	73	36%	0.364	36%	0.364	S	S	.	.			trans	-61.1	147.2	-179	-163.8	177.5	62.4	0	0	111.4	N640 E641 L642 T673	Q638-N640 PolarHBondContact O-N 2.94Å; Q638-E641 WeakPolarHBondContact O-CA 3.45Å; Q638-E641 WeakPolarHBondContact O-CB 3.33Å; Q638-E641 PolarHBondContact O-N 2.8Å; Q638-L642 PolarHBondContact O-N 2.85Å; Q638-T673 HydrophobicContact CB-CG2 4.25Å; Q638-T673 PolarHBondContact N-O 2.91Å; Q638-T673 VanDerWaalsContact N-O 3.16Å
639	K	61.9	Low	78.9	Confident	164 Å²	164	66 Å²	66	71%	0.713	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29	-169.8	-172.8	171.7	-179.6	175	0	115.8	E641	K639-E641 VanDerWaalsContact C-N 3.28Å
640	N	59.9	Low	79.2	Confident	134 Å²	134	64 Å²	64	72%	0.717	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.2	177.3	-63.5	-14.3	0	0	0	112.7	Q638	Q638-N640 PolarHBondContact O-N 2.94Å
641	E	61	Low	79.5	Confident	26 Å²	26	66 Å²	66	12%	0.121	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-19.4	-178.2	-59.8	170.1	-169.6	0	0	112.2	Q638 K639 N643 T644 L672 T673	Q638-E641 WeakPolarHBondContact O-CA 3.45Å; Q638-E641 WeakPolarHBondContact O-CB 3.33Å; Q638-E641 PolarHBondContact O-N 2.8Å; K639-E641 VanDerWaalsContact C-N 3.28Å; E641-N643 PolarHBondContact O-N 3Å; E641-N643 VanDerWaalsContact O-N 3.11Å; E641-T644 WeakPolarHBondContact O-CB 3.36Å; E641-T644 WeakPolarHBondContact O-CG2 3.5Å; E641-T644 PolarHBondContact O-N 3.07Å; E641-T644 PolarHBondContact O-OG1 2.92Å; E641-L672 VanDerWaalsContact OE2-CA 3.27Å; E641-L672 WeakPolarHBondContact OE2-CA 3.41Å; E641-T673 WeakPolarHBondContact OE1-CB 3.41Å; E641-T673 PolarHBondContact OE1-N 2.76Å; E641-T673 PolarHBondContact OE1-OG1 2.93Å; E641-T673 PolarHBondContact OE2-N 3.21Å
642	L	54.2	Low	79.5	Confident	110 Å²	110	70.3 Å²	70.3	58%	0.576	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.6	170.4	-69.6	177	0	0	0	113.6	L637 Q638 T644	L637-L642 HydrophobicContact CB-CD2 3.98Å; Q638-L642 PolarHBondContact O-N 2.85Å; L642-T644 VanDerWaalsContact C-N 3.32Å
643	N	55.5	Low	79.7	Confident	147 Å²	147	68.7 Å²	68.7	79%	0.786	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.7	171.7	-74.9	-4.4	0	0	0	113.3	E641	E641-N643 PolarHBondContact O-N 3Å; E641-N643 VanDerWaalsContact O-N 3.11Å
644	T	61.3	Low	79.8	Confident	45 Å²	45	67.4 Å²	67.4	28%	0.276	35%	0.345	S	S	.	.			trans	-83.2	125.5	176.2	67.1	0	0	0	0	110.1	E641 L642 Y646	E641-T644 WeakPolarHBondContact O-CB 3.36Å; E641-T644 WeakPolarHBondContact O-CG2 3.5Å; E641-T644 PolarHBondContact O-N 3.07Å; E641-T644 PolarHBondContact O-OG1 2.92Å; L642-T644 VanDerWaalsContact C-N 3.32Å; T644-Y646 PolarHBondContact O-N 3.48Å
645	P	72.5	Confident	80	Confident	82 Å²	82	66.2 Å²	66.2	53%	0.532	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	1	-176.7	32.4	-36.9	0	0	0	113.5	T659	P645-T659 VanDerWaalsContact C-OG1 3.26Å; P645-T659 CarbonylContact O-C 3.37Å; P645-T659 WeakPolarHBondContact O-CB 3.21Å; P645-T659 PolarHBondContact O-OG1 2.87Å
646	Y	86.5	Confident	80.1	Confident	75 Å²	75	65.3 Å²	65.3	29%	0.294	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-30.1	-165.3	-56.8	-63.4	0	0	0	114.7	T644 N658 T659 A660 I662 F670	T644-Y646 PolarHBondContact O-N 3.48Å; Y646-N658 CarbonylContact O-C 3.6Å; Y646-N658 VanDerWaalsContact O-CA 3.29Å; Y646-N658 WeakPolarHBondContact O-CA 3.35Å; Y646-T659 PolarHBondContact O-N 2.87Å; Y646-T659 PolarHBondContact O-OG1 3.09Å; Y646-A660 HydrophobicContact CD1-CB 4.35Å; Y646-I662 HydrophobicContact CD1-CG1 4.17Å; Y646-F670 HydrophobicContact CD2-CD1 4.41Å; Y646-F670 AromaticContact CD2-CE1 3.55Å; Y646-F670 HydrophobicContact CD2-CE1 3.55Å; Y646-F670 HydrophobicContact CD2-CZ 4.24Å; Y646-F670 AromaticContact CE2-CE1 3.98Å; Y646-F670 HydrophobicContact CE2-CE1 3.98Å; Y646-F670 AromaticContact CG-CE1 3.97Å; Y646-F670 HydrophobicContact CG-CE1 3.97Å; Y646-F670 HydrophobicContact CG-CZ 4.3Å
647	F	90.9	Very high	80.3	Confident	9 Å²	9	65 Å²	65	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.8	-177.2	-49.4	-76.2	0	0	0	113.5	I617 L637 I656 L657 T659 I662 F670 L672 I707	I617-F647 HydrophobicContact CD1-CD1 3.51Å; I617-F647 HydrophobicContact CD1-CE1 3.44Å; I617-F647 VanDerWaalsContact CD1-CE1 3.44Å; L637-F647 HydrophobicContact CD1-CB 4.44Å; F647-I656 HydrophobicContact CB-CG2 4.43Å; F647-I656 HydrophobicContact CD1-CG2 4.49Å; F647-L657 WeakPolarHBondContact CA-O 3.09Å; F647-T659 PolarHBondContact N-OG1 2.87Å; F647-I662 HydrophobicContact CD1-CD1 4.33Å; F647-I662 HydrophobicContact CE1-CD1 3.45Å; F647-I662 VanDerWaalsContact CE1-CD1 3.45Å; F647-I662 HydrophobicContact CE2-CD1 4.38Å; F647-I662 HydrophobicContact CZ-CD1 3.49Å; F647-I662 VanDerWaalsContact CZ-CD1 3.49Å; F647-F670 HydrophobicContact CE2-CB 3.81Å; F647-F670 AromaticContact CE2-CD1 3.57Å; F647-F670 HydrophobicContact CE2-CD1 3.57Å; F647-F670 AromaticContact CE2-CD2 3.93Å; F647-F670 HydrophobicContact CE2-CD2 3.93Å; F647-F670 HydrophobicContact CE2-CE1 4.07Å; F647-F670 HydrophobicContact CE2-CE2 4.41Å; F647-F670 AromaticContact CE2-CG 3.48Å; F647-F670 HydrophobicContact CE2-CG 3.48Å; F647-F670 VanDerWaalsContact CE2-CG 3.48Å; F647-F670 HydrophobicContact CE2-CZ 4.46Å; F647-F670 HydrophobicContact CZ-CB 4.21Å; F647-F670 HydrophobicContact CZ-CD1 4.23Å; F647-F670 AromaticContact CZ-CD2 3.74Å; F647-F670 HydrophobicContact CZ-CD2 3.74Å; F647-F670 HydrophobicContact CZ-CE2 4.14Å; F647-F670 AromaticContact CZ-CG 3.79Å; F647-F670 HydrophobicContact CZ-CG 3.79Å; F647-L672 HydrophobicContact CB-CD1 4.21Å; F647-L672 HydrophobicContact CD2-CD1 3.79Å; F647-L672 HydrophobicContact CD2-CD2 4.15Å; F647-L672 HydrophobicContact CD2-CG 4.48Å; F647-L672 HydrophobicContact CE2-CD1 4.39Å; F647-L672 HydrophobicContact CG-CD1 3.99Å; F647-I707 HydrophobicContact CD1-CD1 4Å; F647-I707 HydrophobicContact CE1-CD1 3.6Å; F647-I707 HydrophobicContact CE2-CD1 4.16Å; F647-I707 HydrophobicContact CG-CD1 4.44Å; F647-I707 HydrophobicContact CZ-CD1 3.69Å
648	K	90	Very high	80.5	Confident	83 Å²	83	64.7 Å²	64.7	36%	0.361	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	159.5	161.4	66.1	-174.7	165.3	177.3	0	109.7	N614 I656 L657 T659	N614-K648 WeakPolarHBondContact OD1-CE 3.25Å; N614-K648 PolarHBondContact OD1-NZ 3.35Å; K648-I656 WeakPolarHBondContact O-CA 3.49Å; K648-L657 HydrophobicContact CG-CB 3.9Å; K648-L657 HydrophobicContact CG-CD1 4.37Å; K648-L657 PolarHBondContact N-O 3.05Å; K648-L657 PolarHBondContact O-N 3.44Å; K648-T659 HydrophobicContact CB-CG2 3.73Å; K648-T659 HydrophobicContact CD-CG2 3.58Å; K648-T659 HydrophobicContact CG-CG2 3.57Å
649	I	92	Very high	81	Confident	22 Å²	22	62.3 Å²	62.3	11%	0.113	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.6	166.8	-166.3	161.9	0	0	0	109.4	M620 Y635 L637 W655 I656 I674	M620-I649 HydrophobicContact CB-CD1 4.34Å; M620-I649 HydrophobicContact CG-CD1 3.91Å; Y635-I649 HydrophobicContact CG-CD1 4.49Å; L637-I649 HydrophobicContact CD2-CB 4.49Å; L637-I649 HydrophobicContact CD2-CG2 4.49Å; L637-I649 HydrophobicContact CG-CB 4.37Å; L637-I649 HydrophobicContact CG-CG2 4.03Å; I649-W655 WeakPolarHBondContact CA-O 3.38Å; I649-I656 HydrophobicContact CB-CG1 4.07Å; I649-I656 HydrophobicContact CD1-CD1 4.12Å; I649-I656 HydrophobicContact CD1-CG1 3.72Å; I649-I656 HydrophobicContact CG1-CG1 3.77Å; I649-I674 HydrophobicContact CD1-CG2 3.71Å
650	D	89.3	Confident	82.1	Confident	51 Å²	51	55.8 Å²	55.8	27%	0.273	30%	0.298	S	S	.	.			trans	-74.6	119.4	165.6	179.3	-31.8	0	0	0	108.6	I652 T653 G654 W655	D650-I652 PolarHBondContact O-N 2.86Å; D650-I652 PolarHBondContact OD1-N 3.13Å; D650-T653 WeakPolarHBondContact CB-OG1 3.44Å; D650-T653 PolarHBondContact OD1-N 2.9Å; D650-T653 WeakPolarHBondContact OD2-CG2 3.28Å; D650-T653 PolarHBondContact OD2-OG1 3.25Å; D650-G654 WeakPolarHBondContact O-CA 3.41Å; D650-G654 PolarHBondContact O-N 3.07Å; D650-W655 HydrophobicContact CB-CB 4.37Å; D650-W655 PolarHBondContact N-O 2.89Å
651	P	90.1	Very high	83.4	Confident	65 Å²	65	55.3 Å²	55.3	42%	0.422	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.2	-172.3	29.6	-35.8	0	0	0	114	Y634 Y635	Y634-P651 WeakPolarHBondContact CA-O 3.48Å; Y635-P651 PolarHBondContact N-O 3.3Å; Y635-P651 VanDerWaalsContact O-CA 3.27Å; Y635-P651 WeakPolarHBondContact O-CA 3.35Å; Y635-P651 WeakPolarHBondContact O-CB 3.41Å
652	I	89.1	Confident	84.7	Confident	125 Å²	125	54.2 Å²	54.2	64%	0.641	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-42.9	179.9	-59.5	173.8	0	0	0	110.2	D650	D650-I652 PolarHBondContact O-N 2.86Å; D650-I652 PolarHBondContact OD1-N 3.13Å
653	T	91.5	Very high	86.4	Confident	55 Å²	55	52.5 Å²	52.5	34%	0.337	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-7.8	-173.8	76.3	0	0	0	0	114.4	Q619 D650 W655	Q619-T653 WeakPolarHBondContact CG-O 3.36Å; Q619-T653 PolarHBondContact NE2-O 3.06Å; D650-T653 WeakPolarHBondContact CB-OG1 3.44Å; D650-T653 PolarHBondContact OD1-N 2.9Å; D650-T653 WeakPolarHBondContact OD2-CG2 3.28Å; D650-T653 PolarHBondContact OD2-OG1 3.25Å; T653-W655 PolarHBondContact O-N 2.83Å; T653-W655 VanDerWaalsContact O-N 3.17Å
654	G	91.9	Very high	88.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.			trans	70.2	3	-179.8	0	0	0	0	0	114.7	M620 D650 I656	M620-G654 WeakPolarHBondContact CB-O 2.9Å; M620-G654 PolarHBondContact N-O 3.37Å; D650-G654 WeakPolarHBondContact O-CA 3.41Å; D650-G654 PolarHBondContact O-N 3.07Å; G654-I656 PolarHBondContact O-N 3.13Å
655	W	95.8	Very high	89.6	Confident	62 Å²	62	46.7 Å²	46.7	24%	0.235	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	122	-179.8	-85.1	100.3	0	0	0	112.1	K616 I618 Q619 I649 D650 T653	K616-W655 HydrophobicContact CB-CD2 4.45Å; K616-W655 HydrophobicContact CB-CE3 3.64Å; K616-W655 HydrophobicContact CB-CZ3 3.68Å; K616-W655 HydrophobicContact CD-CD2 3.61Å; K616-W655 HydrophobicContact CD-CE3 3.67Å; K616-W655 HydrophobicContact CD-CG 4.17Å; K616-W655 HydrophobicContact CD-CH2 4.2Å; K616-W655 HydrophobicContact CD-CZ2 4.16Å; K616-W655 HydrophobicContact CD-CZ3 3.97Å; K616-W655 HydrophobicContact CG-CD2 4.04Å; K616-W655 HydrophobicContact CG-CE3 3.71Å; K616-W655 HydrophobicContact CG-CZ3 4.16Å; K616-W655 VanDerWaalsContact NZ-CD1 3.35Å; K616-W655 VanDerWaalsContact NZ-NE1 3.19Å; I618-W655 VanDerWaalsContact C-CE3 3.49Å; Q619-W655 HydrophobicContact CB-CD2 3.79Å; Q619-W655 HydrophobicContact CB-CE3 3.98Å; Q619-W655 HydrophobicContact CB-CG 4.37Å; Q619-W655 HydrophobicContact CB-CH2 4Å; Q619-W655 HydrophobicContact CB-CZ2 3.79Å; Q619-W655 HydrophobicContact CB-CZ3 4.08Å; Q619-W655 HydrophobicContact CG-CD2 4.04Å; Q619-W655 HydrophobicContact CG-CG 4.14Å; Q619-W655 HydrophobicContact CG-CZ2 4.33Å; Q619-W655 VanDerWaalsContact OE1-NE1 3.15Å; I649-W655 WeakPolarHBondContact CA-O 3.38Å; D650-W655 HydrophobicContact CB-CB 4.37Å; D650-W655 PolarHBondContact N-O 2.89Å; T653-W655 PolarHBondContact O-N 2.83Å; T653-W655 VanDerWaalsContact O-N 3.17Å
656	I	93.6	Very high	90.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	133	170.8	-65	171	0	0	0	109.4	I617 I618 M620 F647 K648 I649 G654 I674 L705	I617-I656 HydrophobicContact CB-CG2 4.49Å; I617-I656 HydrophobicContact CD1-CG2 4.35Å; I617-I656 PolarHBondContact N-O 2.98Å; I618-I656 HydrophobicContact CG2-CB 4.23Å; I618-I656 HydrophobicContact CG2-CD1 4.08Å; I618-I656 PolarHBondContact O-N 2.88Å; M620-I656 HydrophobicContact CG-CD1 3.55Å; M620-I656 HydrophobicContact CG-CG1 4.08Å; M620-I656 HydrophobicContact SD-CD1 3.8Å; F647-I656 HydrophobicContact CB-CG2 4.43Å; F647-I656 HydrophobicContact CD1-CG2 4.49Å; K648-I656 WeakPolarHBondContact O-CA 3.49Å; I649-I656 HydrophobicContact CB-CG1 4.07Å; I649-I656 HydrophobicContact CD1-CD1 4.12Å; I649-I656 HydrophobicContact CD1-CG1 3.72Å; I649-I656 HydrophobicContact CG1-CG1 3.77Å; G654-I656 PolarHBondContact O-N 3.13Å; I656-I674 HydrophobicContact CD1-CD1 3.57Å; I656-I674 HydrophobicContact CD1-CG1 4.19Å; I656-L705 HydrophobicContact CD1-CD2 3.39Å
657	L	93	Very high	90.3	Very high	26 Å²	26	46.7 Å²	46.7	14%	0.136	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.4	-169.1	-65	157.3	0	0	0	109.3	N614 T615 K616 F647 K648	N614-L657 WeakPolarHBondContact O-CD2 3.5Å; T615-L657 WeakPolarHBondContact O-CA 3.47Å; K616-L657 HydrophobicContact CB-CD2 4.41Å; K616-L657 HydrophobicContact CG-CD2 3.61Å; F647-L657 WeakPolarHBondContact CA-O 3.09Å; K648-L657 HydrophobicContact CG-CB 3.9Å; K648-L657 HydrophobicContact CG-CD1 4.37Å; K648-L657 PolarHBondContact N-O 3.05Å; K648-L657 PolarHBondContact O-N 3.44Å
658	N	92.7	Very high	90.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.8	172.2	69.1	-41.2	0	0	0	111.8	F607 S611 P612 N614 T615 I617 Y646 A660 I662	F607-N658 HydrophobicContact CE1-CB 4.1Å; F607-N658 HydrophobicContact CZ-CB 4.19Å; S611-N658 PolarHBondContact O-ND2 3.44Å; P612-N658 PolarHBondContact O-ND2 2.82Å; P612-N658 VanDerWaalsContact O-ND2 3.11Å; P612-N658 PolarHBondContact O-OD1 3.01Å; P612-N658 VanDerWaalsContact O-OD1 3.07Å; N614-N658 WeakPolarHBondContact CA-O 3.31Å; N614-N658 PolarHBondContact N-O 2.97Å; N614-N658 PolarHBondContact N-OD1 2.87Å; N614-N658 VanDerWaalsContact N-OD1 3.08Å; T615-N658 PolarHBondContact N-OD1 2.83Å; T615-N658 PolarHBondContact O-N 3.03Å; T615-N658 PolarHBondContact O-OD1 2.88Å; I617-N658 HydrophobicContact CD1-CB 4.37Å; Y646-N658 CarbonylContact O-C 3.6Å; Y646-N658 VanDerWaalsContact O-CA 3.29Å; Y646-N658 WeakPolarHBondContact O-CA 3.35Å; N658-A660 PolarHBondContact ND2-O 2.91Å; N658-I662 HydrophobicContact CB-CD1 4.26Å
659	T	88.9	Confident	90.2	Very high	27 Å²	27	47.1 Å²	47.1	17%	0.166	26%	0.263	C	S	.	.	S	Bend	trans	-106.2	-0.7	176.9	45.2	0	0	0	0	113.8	R613 P645 Y646 F647 K648	R613-T659 VanDerWaalsContact CZ-O 3.24Å; R613-T659 PolarHBondContact NE-O 2.67Å; R613-T659 PolarHBondContact NH2-O 2.82Å; P645-T659 VanDerWaalsContact C-OG1 3.26Å; P645-T659 CarbonylContact O-C 3.37Å; P645-T659 WeakPolarHBondContact O-CB 3.21Å; P645-T659 PolarHBondContact O-OG1 2.87Å; Y646-T659 PolarHBondContact O-N 2.87Å; Y646-T659 PolarHBondContact O-OG1 3.09Å; F647-T659 PolarHBondContact N-OG1 2.87Å; K648-T659 HydrophobicContact CB-CG2 3.73Å; K648-T659 HydrophobicContact CD-CG2 3.58Å; K648-T659 HydrophobicContact CG-CG2 3.57Å
660	A	85.4	Confident	90.1	Very high	27 Å²	27	46.4 Å²	46.4	22%	0.223	26%	0.259	C	S	.	.	S	Bend	trans	-140	164.2	166.8	0	0	0	0	0	109.2	Y646 N658	Y646-A660 HydrophobicContact CD1-CB 4.35Å; N658-A660 PolarHBondContact ND2-O 2.91Å
661	E	87	Confident	90.2	Very high	125 Å²	125	50.6 Å²	50.6	58%	0.584	28%	0.275	S	S	*	.			trans	-64.5	144.6	150.2	-80.8	122.2	-136.1	0	0	108.1
662	I	87.7	Confident	90.2	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	26%	0.256	C	S	.	.			trans	-126.6	138.4	-171.7	-54.3	179.5	0	0	0	107.3	F607 E609 N610 Y646 F647 N658 F670 M709	F607-I662 HydrophobicContact CE1-CD1 4.48Å; E609-I662 WeakPolarHBondContact CB-O 3.46Å; N610-I662 PolarHBondContact N-O 3Å; Y646-I662 HydrophobicContact CD1-CG1 4.17Å; F647-I662 HydrophobicContact CD1-CD1 4.33Å; F647-I662 HydrophobicContact CE1-CD1 3.45Å; F647-I662 VanDerWaalsContact CE1-CD1 3.45Å; F647-I662 HydrophobicContact CE2-CD1 4.38Å; F647-I662 HydrophobicContact CZ-CD1 3.49Å; F647-I662 VanDerWaalsContact CZ-CD1 3.49Å; N658-I662 HydrophobicContact CB-CD1 4.26Å; I662-F670 HydrophobicContact CG2-CE2 3.61Å; I662-F670 HydrophobicContact CG2-CZ 3.66Å; I662-M709 HydrophobicContact CB-CE 3.88Å; I662-M709 HydrophobicContact CG2-CE 3.72Å; I662-M709 HydrophobicContact CG2-CG 4.42Å; I662-M709 HydrophobicContact CG2-SD 3.99Å
663	D	89.6	Confident	90.2	Very high	73 Å²	73	42.7 Å²	42.7	39%	0.39	23%	0.231	S	C	.	.			trans	-115.7	124.8	-172.9	166.2	130.9	0	0	0	107.3	E665 A666 Q667	D663-E665 PolarHBondContact OD2-N 3.4Å; D663-A666 HydrophobicContact CB-CB 4.42Å; D663-A666 WeakPolarHBondContact OD2-CB 3.28Å; D663-A666 PolarHBondContact OD2-N 2.93Å; D663-Q667 PolarHBondContact O-N 2.89Å
664	R	92.7	Very high	90.2	Very high	22 Å²	22	40 Å²	40	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-76.6	-31.6	-171.6	-175.3	-145.6	64.2	109.5	2.2	110.9	E609 A666 Q667 S668 M709 D711 K745 D746 E747	E609-R664 HydrophobicContact CB-CB 4.4Å; E609-R664 VanDerWaalsContact CD-CB 3.48Å; E609-R664 WeakPolarHBondContact OE1-CB 3.38Å; E609-R664 WeakPolarHBondContact OE2-CB 3.29Å; E609-R664 PolarHBondContact OE2-N 3.28Å; R664-A666 VanDerWaalsContact C-N 3.32Å; R664-A666 PolarHBondContact O-N 2.93Å; R664-Q667 CarbonylContact O-C 3.46Å; R664-Q667 PolarHBondContact O-N 3.24Å; R664-S668 WeakPolarHBondContact O-CA 3.26Å; R664-S668 WeakPolarHBondContact O-CB 3.45Å; R664-S668 PolarHBondContact O-N 3.47Å; R664-M709 HydrophobicContact CB-CB 4.12Å; R664-M709 HydrophobicContact CG-CB 3.83Å; R664-D711 WeakPolarHBondContact CD-OD1 3.22Å; R664-D711 IonicContact CZ-OD1 2.67Å; R664-D711 VanDerWaalsContact CZ-OD1 3.23Å; R664-D711 IonicContact NE-OD1 2.82Å; R664-D711 PolarHBondContact NE-OD1 2.81Å; R664-D711 IonicContact NH1-OD1 2.69Å; R664-D711 IonicContact NH2-OD1 3.56Å; R664-K745 PolarHBondContact NH2-O 2.99Å; R664-D746 VanDerWaalsContact NH2-CA 3.35Å; R664-E747 IonicContact CZ-OE2 2.98Å; R664-E747 IonicContact NH1-OE2 3.12Å; R664-E747 PolarHBondContact NH1-OE2 2.67Å
665	E	90.8	Very high	90.2	Very high	49 Å²	49	41.7 Å²	41.7	23%	0.229	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-37.4	-180	-67.9	57.7	-117.8	0	0	110.6	D663 K745	D663-E665 PolarHBondContact OD2-N 3.4Å; E665-K745 HydrophobicContact CB-CB 4.44Å; E665-K745 HydrophobicContact CG-CB 3.55Å; E665-K745 HydrophobicContact CG-CD 4.29Å
666	A	87.7	Confident	89.9	Confident	78 Å²	78	38.7 Å²	38.7	65%	0.645	21%	0.212	S	C	*	.	H	α-helix	trans	-72.5	-45	169.9	0	0	0	0	0	112.2	D663 R664	D663-A666 HydrophobicContact CB-CB 4.42Å; D663-A666 WeakPolarHBondContact OD2-CB 3.28Å; D663-A666 PolarHBondContact OD2-N 2.93Å; R664-A666 VanDerWaalsContact C-N 3.32Å; R664-A666 PolarHBondContact O-N 2.93Å
667	Q	86.6	Confident	89.7	Confident	78 Å²	78	40.9 Å²	40.9	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-154	95.5	176.4	-172.3	165.3	-7	0	0	115.1	D663 R664 T669 F670 M709	D663-Q667 PolarHBondContact O-N 2.89Å; R664-Q667 CarbonylContact O-C 3.46Å; R664-Q667 PolarHBondContact O-N 3.24Å; Q667-T669 VanDerWaalsContact C-N 3.29Å; Q667-T669 WeakPolarHBondContact CG-O 3.48Å; Q667-T669 PolarHBondContact NE2-O 3.21Å; Q667-T669 PolarHBondContact O-N 3.45Å; Q667-F670 HydrophobicContact CB-CE1 4.04Å; Q667-F670 HydrophobicContact CB-CE2 4.18Å; Q667-F670 HydrophobicContact CB-CZ 3.64Å; Q667-F670 VanDerWaalsContact CD-CD1 3.44Å; Q667-F670 HydrophobicContact CG-CD1 4.09Å; Q667-F670 HydrophobicContact CG-CD2 4.4Å; Q667-F670 HydrophobicContact CG-CE1 3.69Å; Q667-F670 HydrophobicContact CG-CE2 4Å; Q667-F670 HydrophobicContact CG-CG 4.44Å; Q667-F670 HydrophobicContact CG-CZ 3.64Å; Q667-F670 VanDerWaalsContact NE2-CD1 3.27Å; Q667-F670 VanDerWaalsContact O-CE2 3.22Å; Q667-F670 WeakPolarHBondContact O-CE2 3.4Å; Q667-M709 WeakPolarHBondContact O-CG 3.41Å
668	S	88.9	Confident	89.5	Confident	55 Å²	55	39.7 Å²	39.7	39%	0.385	22%	0.217	S	C	.	.	S	Bend	trans	-71.9	-11.2	-178.3	66.1	0	0	0	0	115.8	R664 M709	R664-S668 WeakPolarHBondContact O-CA 3.26Å; R664-S668 WeakPolarHBondContact O-CB 3.45Å; R664-S668 PolarHBondContact O-N 3.47Å; S668-M709 PolarHBondContact O-N 3.24Å
669	T	90.6	Very high	88.5	Confident	46 Å²	46	40.4 Å²	40.4	28%	0.282	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	133.1	177.1	-70	0	0	0	0	112	Q667 I706 I707 H708	Q667-T669 VanDerWaalsContact C-N 3.29Å; Q667-T669 WeakPolarHBondContact CG-O 3.48Å; Q667-T669 PolarHBondContact NE2-O 3.21Å; Q667-T669 PolarHBondContact O-N 3.45Å; T669-I706 HydrophobicContact CG2-CG2 3.7Å; T669-I707 WeakPolarHBondContact CA-O 3.4Å; T669-H708 PolarHBondContact OG1-ND1 3.08Å
670	F	89.6	Confident	87.3	Confident	7 Å²	7	39.4 Å²	39.4	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.6	172.8	-59	-94.1	0	0	0	110.2	Y646 F647 I662 Q667 I706 I707 M709	Y646-F670 HydrophobicContact CD2-CD1 4.41Å; Y646-F670 AromaticContact CD2-CE1 3.55Å; Y646-F670 HydrophobicContact CD2-CE1 3.55Å; Y646-F670 HydrophobicContact CD2-CZ 4.24Å; Y646-F670 AromaticContact CE2-CE1 3.98Å; Y646-F670 HydrophobicContact CE2-CE1 3.98Å; Y646-F670 AromaticContact CG-CE1 3.97Å; Y646-F670 HydrophobicContact CG-CE1 3.97Å; Y646-F670 HydrophobicContact CG-CZ 4.3Å; F647-F670 HydrophobicContact CE2-CB 3.81Å; F647-F670 AromaticContact CE2-CD1 3.57Å; F647-F670 HydrophobicContact CE2-CD1 3.57Å; F647-F670 AromaticContact CE2-CD2 3.93Å; F647-F670 HydrophobicContact CE2-CD2 3.93Å; F647-F670 HydrophobicContact CE2-CE1 4.07Å; F647-F670 HydrophobicContact CE2-CE2 4.41Å; F647-F670 AromaticContact CE2-CG 3.48Å; F647-F670 HydrophobicContact CE2-CG 3.48Å; F647-F670 VanDerWaalsContact CE2-CG 3.48Å; F647-F670 HydrophobicContact CE2-CZ 4.46Å; F647-F670 HydrophobicContact CZ-CB 4.21Å; F647-F670 HydrophobicContact CZ-CD1 4.23Å; F647-F670 AromaticContact CZ-CD2 3.74Å; F647-F670 HydrophobicContact CZ-CD2 3.74Å; F647-F670 HydrophobicContact CZ-CE2 4.14Å; F647-F670 AromaticContact CZ-CG 3.79Å; F647-F670 HydrophobicContact CZ-CG 3.79Å; I662-F670 HydrophobicContact CG2-CE2 3.61Å; I662-F670 HydrophobicContact CG2-CZ 3.66Å; Q667-F670 HydrophobicContact CB-CE1 4.04Å; Q667-F670 HydrophobicContact CB-CE2 4.18Å; Q667-F670 HydrophobicContact CB-CZ 3.64Å; Q667-F670 VanDerWaalsContact CD-CD1 3.44Å; Q667-F670 HydrophobicContact CG-CD1 4.09Å; Q667-F670 HydrophobicContact CG-CD2 4.4Å; Q667-F670 HydrophobicContact CG-CE1 3.69Å; Q667-F670 HydrophobicContact CG-CE2 4Å; Q667-F670 HydrophobicContact CG-CG 4.44Å; Q667-F670 HydrophobicContact CG-CZ 3.64Å; Q667-F670 VanDerWaalsContact NE2-CD1 3.27Å; Q667-F670 VanDerWaalsContact O-CE2 3.22Å; Q667-F670 WeakPolarHBondContact O-CE2 3.4Å; F670-I706 WeakPolarHBondContact O-CA 3.44Å; F670-I707 HydrophobicContact CB-CB 4.31Å; F670-I707 PolarHBondContact N-O 3.22Å; F670-I707 PolarHBondContact O-N 2.78Å; F670-M709 HydrophobicContact CD2-CG 4.12Å; F670-M709 HydrophobicContact CD2-SD 4.17Å; F670-M709 HydrophobicContact CE2-CG 3.78Å; F670-M709 HydrophobicContact CE2-SD 3.93Å
671	K	90.4	Very high	85.8	Confident	140 Å²	140	44.2 Å²	44.2	61%	0.609	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.3	172.8	-61.3	-179	-177.5	172	0	106.9	L705 I706	K671-L705 WeakPolarHBondContact CA-O 3.47Å; K671-I706 HydrophobicContact CG-CG1 4.35Å
672	L	90.1	Very high	83.9	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.3	-178.9	-56.6	178	0	0	0	109.7	L637 E641 F647 I674 L705 I707	L637-L672 HydrophobicContact CD2-CB 4.45Å; L637-L672 HydrophobicContact CD2-CD1 4.34Å; E641-L672 VanDerWaalsContact OE2-CA 3.27Å; E641-L672 WeakPolarHBondContact OE2-CA 3.41Å; F647-L672 HydrophobicContact CB-CD1 4.21Å; F647-L672 HydrophobicContact CD2-CD1 3.79Å; F647-L672 HydrophobicContact CD2-CD2 4.15Å; F647-L672 HydrophobicContact CD2-CG 4.48Å; F647-L672 HydrophobicContact CE2-CD1 4.39Å; F647-L672 HydrophobicContact CG-CD1 3.99Å; L672-I674 HydrophobicContact CB-CD1 3.86Å; L672-L705 HydrophobicContact CB-CB 4.41Å; L672-L705 HydrophobicContact CD1-CD2 4.45Å; L672-L705 PolarHBondContact N-O 3.44Å; L672-L705 PolarHBondContact O-N 3.21Å; L672-I707 HydrophobicContact CD1-CD1 3.83Å
673	T	90.2	Very high	81.3	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	95.5	177.5	-50.8	0	0	0	0	107.2	Q638 E641 T702 Q704	Q638-T673 HydrophobicContact CB-CG2 4.25Å; Q638-T673 PolarHBondContact N-O 2.91Å; Q638-T673 VanDerWaalsContact N-O 3.16Å; E641-T673 WeakPolarHBondContact OE1-CB 3.41Å; E641-T673 PolarHBondContact OE1-N 2.76Å; E641-T673 PolarHBondContact OE1-OG1 2.93Å; E641-T673 PolarHBondContact OE2-N 3.21Å; T673-T702 HydrophobicContact CG2-CG2 4.13Å; T673-Q704 PolarHBondContact OG1-NE2 2.92Å
674	I	91.5	Very high	78.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.2	-179.9	-43.4	-52.5	0	0	0	107.9	F598 M620 L637 I649 I656 L672 T702 T703 L705	F598-I674 HydrophobicContact CE1-CG2 4.07Å; F598-I674 HydrophobicContact CZ-CB 4.21Å; F598-I674 HydrophobicContact CZ-CG2 3.88Å; M620-I674 HydrophobicContact CB-CG2 4.41Å; M620-I674 HydrophobicContact CE-CB 4.13Å; M620-I674 HydrophobicContact CE-CG1 3.82Å; M620-I674 HydrophobicContact CE-CG2 4.25Å; M620-I674 HydrophobicContact CG-CG1 4.29Å; M620-I674 HydrophobicContact CG-CG2 4.01Å; M620-I674 HydrophobicContact SD-CG1 4.09Å; L637-I674 HydrophobicContact CD2-CD1 3.44Å; L637-I674 VanDerWaalsContact CD2-CD1 3.44Å; I649-I674 HydrophobicContact CD1-CG2 3.71Å; I656-I674 HydrophobicContact CD1-CD1 3.57Å; I656-I674 HydrophobicContact CD1-CG1 4.19Å; L672-I674 HydrophobicContact CB-CD1 3.86Å; I674-T702 VanDerWaalsContact O-CA 3.24Å; I674-T702 WeakPolarHBondContact O-CA 3.47Å; I674-T703 HydrophobicContact CB-CG2 3.97Å; I674-T703 HydrophobicContact CG1-CG2 4.37Å; I674-T703 PolarHBondContact N-O 2.71Å; I674-T703 PolarHBondContact O-N 3.05Å; I674-L705 HydrophobicContact CD1-CB 4.37Å; I674-L705 HydrophobicContact CG1-CB 4.15Å
675	L	91	Very high	75.4	Confident	34 Å²	34	59.1 Å²	59.1	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.8	179.1	177.1	64.6	0	0	0	108.4	S636 I677 T700 S701 T702	S636-L675 PolarHBondContact N-O 2.91Å; S636-L675 PolarHBondContact O-N 2.97Å; L675-I677 HydrophobicContact CD1-CG1 4.46Å; L675-I677 HydrophobicContact CD2-CD1 3.95Å; L675-I677 HydrophobicContact CD2-CG1 4.17Å; L675-I677 HydrophobicContact CG-CD1 4.2Å; L675-I677 HydrophobicContact CG-CG1 3.86Å; L675-T700 HydrophobicContact CD1-CG2 4.3Å; L675-S701 WeakPolarHBondContact CD1-O 3.08Å; L675-T702 HydrophobicContact CB-CG2 4.43Å; L675-T702 HydrophobicContact CD1-CG2 3.75Å
676	A	90.9	Very high	72.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.2	164.3	0	0	0	0	0	108.2	P596 F598 A622 I633 T700 S701	P596-A676 HydrophobicContact CB-CB 3.85Å; F598-A676 HydrophobicContact CD2-CB 4.45Å; F598-A676 HydrophobicContact CE1-CB 4.29Å; F598-A676 HydrophobicContact CE2-CB 3.59Å; F598-A676 HydrophobicContact CZ-CB 3.49Å; F598-A676 VanDerWaalsContact CZ-CB 3.49Å; A622-A676 HydrophobicContact CB-CB 4.22Å; I633-A676 HydrophobicContact CG2-CB 4.01Å; A676-T700 WeakPolarHBondContact O-CA 3.46Å; A676-S701 PolarHBondContact N-O 2.8Å; A676-S701 PolarHBondContact O-N 2.83Å
677	I	88.8	Confident	69.9	Low	45 Å²	45	68.7 Å²	68.7	23%	0.231	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.3	-179.9	-46.9	-178.5	0	0	0	106.5	I633 Y634 L675 H698 T700	I633-I677 CarbonylContact C-O 3.56Å; I633-I677 WeakPolarHBondContact CA-O 3.1Å; Y634-I677 PolarHBondContact N-O 2.87Å; Y634-I677 PolarHBondContact O-N 2.7Å; L675-I677 HydrophobicContact CD1-CG1 4.46Å; L675-I677 HydrophobicContact CD2-CD1 3.95Å; L675-I677 HydrophobicContact CD2-CG1 4.17Å; L675-I677 HydrophobicContact CG-CD1 4.2Å; L675-I677 HydrophobicContact CG-CG1 3.86Å; I677-H698 HydrophobicContact CG2-CB 3.75Å; I677-T700 HydrophobicContact CB-CG2 4.3Å; I677-T700 HydrophobicContact CG1-CG2 4.01Å; I677-T700 HydrophobicContact CG2-CG2 4.01Å
678	D	88	Confident	67.2	Low	2 Å²	2	73.6 Å²	73.6	1%	0.011	38%	0.375	C	S	.	.			trans	-69.5	-178.5	168	62.3	37.1	0	0	0	113.2	N592 P596 N630 Q632 G680 H698 H699	N592-D678 PolarHBondContact ND2-OD2 2.87Å; N592-D678 PolarHBondContact OD1-OD2 2.92Å; P596-D678 HydrophobicContact CG-CB 4.36Å; N630-D678 VanDerWaalsContact O-CB 3.31Å; N630-D678 WeakPolarHBondContact O-CB 3.43Å; Q632-D678 CarbonylContact O-C 3.58Å; Q632-D678 VanDerWaalsContact O-C 3.31Å; D678-G680 WeakPolarHBondContact OD1-CA 3.32Å; D678-G680 PolarHBondContact OD1-N 3.22Å; D678-H698 PolarHBondContact O-ND1 3.09Å; D678-H698 VanDerWaalsContact OD1-CA 3.3Å; D678-H698 WeakPolarHBondContact OD1-CA 2.8Å; D678-H698 WeakPolarHBondContact OD1-CB 3.49Å; D678-H698 IonicContact OD1-CE1 3.3Å; D678-H698 IonicContact OD1-CG 2.86Å; D678-H698 IonicContact OD1-ND1 2.64Å; D678-H698 PolarHBondContact OD1-ND1 3.03Å; D678-H699 PolarHBondContact N-O 3.25Å; D678-H699 WeakPolarHBondContact OD2-CA 3.25Å; D678-H699 WeakPolarHBondContact OD2-CB 3.15Å; D678-H699 IonicContact OD2-CG 3.83Å; D678-H699 PolarHBondContact OD2-N 2.76Å
679	G	73	Confident	64.7	Low	14 Å²	14	81.4 Å²	81.4	14%	0.144	40%	0.397	C	S	.	.			trans	-98.5	19	170.7	0	0	0	0	0	113.9	E629 Q632	E629-G679 CarbonylContact O-C 3.59Å; E629-G679 VanDerWaalsContact O-C 3.29Å; E629-G679 WeakPolarHBondContact O-CA 3.39Å; E629-G679 PolarHBondContact O-N 2.97Å; E629-G679 VanDerWaalsContact O-N 3.1Å; Q632-G679 PolarHBondContact O-N 2.86Å; Q632-G679 VanDerWaalsContact O-N 3.07Å
680	G	62.4	Low	61.8	Low	6 Å²	6	86.5 Å²	86.5	6%	0.062	42%	0.422	C	S	.	.			trans	-43.1	133.5	-170.4	0	0	0	0	0	115.6	N592 D678 Q682 H698	N592-G680 WeakPolarHBondContact OD1-CA 3.2Å; D678-G680 WeakPolarHBondContact OD1-CA 3.32Å; D678-G680 PolarHBondContact OD1-N 3.22Å; G680-Q682 PolarHBondContact O-N 3.42Å; G680-Q682 VanDerWaalsContact O-N 3.12Å; G680-H698 PolarHBondContact N-ND1 3.39Å; G680-H698 PolarHBondContact O-CE1 2.7Å
681	Y	54	Low	59	Low	128 Å²	128	93.7 Å²	93.7	50%	0.502	46%	0.46	S	S	.	.	S	Bend	trans	-65.6	105	-153.1	-155.8	-97.8	0	0	0	116.6	E629 P683	E629-Y681 WeakPolarHBondContact OE2-CD2 3.02Å; E629-Y681 VanDerWaalsContact OE2-CE2 3.27Å; E629-Y681 WeakPolarHBondContact OE2-CE2 3.3Å; Y681-P683 HydrophobicContact CD1-CG 4.35Å; Y681-P683 HydrophobicContact CE1-CB 4.41Å; Y681-P683 HydrophobicContact CE1-CG 3.82Å
682	Q	47.6	Very low	56.1	Low	134 Å²	134	91.9 Å²	91.9	63%	0.626	47%	0.465	S	S	*	.			trans	-137	95.9	163.6	-86.8	-68.9	-23.6	0	0	111.1	G680 L684 T696	G680-Q682 PolarHBondContact O-N 3.42Å; G680-Q682 VanDerWaalsContact O-N 3.12Å; Q682-L684 PolarHBondContact O-N 3.44Å; Q682-T696 WeakPolarHBondContact CG-OG1 3.42Å; Q682-T696 PolarHBondContact NE2-OG1 3.31Å
683	P	33.1	Very low	53.4	Low	89 Å²	89	98.9 Å²	98.9	58%	0.578	50%	0.502	S	S	*	.			trans	-77.4	93	-173.2	30.3	-35.2	0	0	0	112.8	Y681	Y681-P683 HydrophobicContact CD1-CG 4.35Å; Y681-P683 HydrophobicContact CE1-CB 4.41Å; Y681-P683 HydrophobicContact CE1-CG 3.82Å
684	L	29	Very low	50.7	Low	160 Å²	160	104.7 Å²	104.7	84%	0.838	53%	0.532	S	S	*	.			trans	25.8	94.1	154.6	-77.5	162.7	0	0	0	117.5	Q682	Q682-L684 PolarHBondContact O-N 3.44Å
685	N	28.2	Very low	48.1	Very low	154 Å²	154	111.4 Å²	111.4	82%	0.824	57%	0.569	S	S	*	*			trans	-161.5	145.2	131	-106	-47.8	0	0	0	113.7
686	N	32.9	Very low	46	Very low	156 Å²	156	113.5 Å²	113.5	83%	0.834	58%	0.583	S	S	*	*			trans	67.7	153.7	177	-64.3	-30.7	0	0	0	118.2
687	Q	30.2	Very low	44.4	Very low	171 Å²	171	119.1 Å²	119.1	80%	0.799	61%	0.611	S	S	*	*			trans	-91.3	158.9	-179.5	-62.1	164.4	-40.6	0	0	110.3
688	F	31.9	Very low	43.6	Very low	182 Å²	182	121 Å²	121	80%	0.798	62%	0.619	S	S	*	*			trans	66	132.3	-169	-49.9	-95	0	0	0	110.7
689	Y	34.5	Very low	43.3	Very low	219 Å²	219	123.6 Å²	123.6	86%	0.859	63%	0.631	S	S	*	*			cis	-144.8	150.5	48.3	-87.3	-97	0	0	0	114.1
690	L	30	Very low	44	Very low	152 Å²	152	126.1 Å²	126.1	80%	0.796	64%	0.644	S	S	*	*			trans	-92.1	152.5	150.2	-73.2	163.8	0	0	0	108.3
691	L	32.1	Very low	45.3	Very low	159 Å²	159	126.7 Å²	126.7	83%	0.832	65%	0.647	S	S	*	*	S	Bend	trans	91.1	123.5	173.8	-52.1	165.3	0	0	0	117
692	S	29	Very low	47.1	Very low	101 Å²	101	124.4 Å²	124.4	71%	0.706	65%	0.646	S	S	*	*			trans	50.6	93	155	58.8	0	0	0	0	119.4
693	N	32.9	Very low	49.3	Very low	152 Å²	152	118.2 Å²	118.2	81%	0.813	62%	0.617	S	S	*	*				-173.3	161.1	89.5	-89.5	-27.3	0	0	0	111.8	N695	N693-N695 PolarHBondContact O-N 3.02Å; N693-N695 VanDerWaalsContact O-N 3.13Å
694	N	33.1	Very low	52.2	Low	140 Å²	140	117.4 Å²	117.4	75%	0.749	61%	0.606	S	S	*	*			trans	-59.5	111.1	-175.4	-58.5	0	0	0	0	112.7
695	N	38.1	Very low	55.2	Low	142 Å²	142	109.8 Å²	109.8	76%	0.759	57%	0.566	S	S	*	*	S	Bend	trans	-178.6	145.4	138.2	-87.4	-20.9	0	0	0	107.8	N693	N693-N695 PolarHBondContact O-N 3.02Å; N693-N695 VanDerWaalsContact O-N 3.13Å
696	T	46.5	Very low	58.3	Low	77 Å²	77	103.8 Å²	103.8	47%	0.472	53%	0.534	S	S	.	.			trans	48.5	83.5	-174.5	63.2	0	0	0	0	113.4	Q682	Q682-T696 WeakPolarHBondContact CG-OG1 3.42Å; Q682-T696 PolarHBondContact NE2-OG1 3.31Å
697	I	57.7	Low	61.2	Low	118 Å²	118	96.3 Å²	96.3	61%	0.605	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-101.1	119.1	172.7	-61.3	172.8	0	0	0	106.9	H699	I697-H699 PolarHBondContact O-N 2.79Å
698	H	71.1	Confident	64.2	Low	86 Å²	86	91.5 Å²	91.5	40%	0.398	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-57.5	121.7	165	-69.2	-73.3	0	0	0	109.5	I677 D678 G680	I677-H698 HydrophobicContact CG2-CB 3.75Å; D678-H698 PolarHBondContact O-ND1 3.09Å; D678-H698 VanDerWaalsContact OD1-CA 3.3Å; D678-H698 WeakPolarHBondContact OD1-CA 2.8Å; D678-H698 WeakPolarHBondContact OD1-CB 3.49Å; D678-H698 IonicContact OD1-CE1 3.3Å; D678-H698 IonicContact OD1-CG 2.86Å; D678-H698 IonicContact OD1-ND1 2.64Å; D678-H698 PolarHBondContact OD1-ND1 3.03Å; G680-H698 PolarHBondContact N-ND1 3.39Å; G680-H698 PolarHBondContact O-CE1 2.7Å
699	H	82.4	Confident	67	Low	56 Å²	56	83.4 Å²	83.4	26%	0.259	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-73.4	143.6	168.9	-65.5	164	0	0	0	110.3	N592 N594 E595 D678 I697	N592-H699 PolarHBondContact ND2-ND1 3.37Å; N592-H699 PolarHBondContact O-CE1 3.43Å; N594-H699 PolarHBondContact O-ND1 2.67Å; E595-H699 HydrophobicContact CB-CB 3.99Å; D678-H699 PolarHBondContact N-O 3.25Å; D678-H699 WeakPolarHBondContact OD2-CA 3.25Å; D678-H699 WeakPolarHBondContact OD2-CB 3.15Å; D678-H699 IonicContact OD2-CG 3.83Å; D678-H699 PolarHBondContact OD2-N 2.76Å; I697-H699 PolarHBondContact O-N 2.79Å
700	T	87.6	Confident	69.7	Low	67 Å²	67	76.8 Å²	76.8	41%	0.411	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.1	-172.1	66.2	0	0	0	0	111.3	L675 A676 I677	L675-T700 HydrophobicContact CD1-CG2 4.3Å; A676-T700 WeakPolarHBondContact O-CA 3.46Å; I677-T700 HydrophobicContact CB-CG2 4.3Å; I677-T700 HydrophobicContact CG1-CG2 4.01Å; I677-T700 HydrophobicContact CG2-CG2 4.01Å
701	S	90	Very high	72.6	Confident	18 Å²	18	71.2 Å²	71.2	13%	0.126	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	163.1	167.7	81.1	0	0	0	0	111.4	P596 F598 L675 A676	P596-S701 WeakPolarHBondContact O-CB 3.1Å; P596-S701 PolarHBondContact O-OG 2.77Å; F598-S701 WeakPolarHBondContact CD2-OG 3.16Å; F598-S701 WeakPolarHBondContact CE2-OG 3.46Å; L675-S701 WeakPolarHBondContact CD1-O 3.08Å; A676-S701 PolarHBondContact N-O 2.8Å; A676-S701 PolarHBondContact O-N 2.83Å
702	T	92	Very high	75.4	Confident	80 Å²	80	65.3 Å²	65.3	49%	0.491	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.5	173.6	52.6	0	0	0	0	111.3	T673 I674 L675	T673-T702 HydrophobicContact CG2-CG2 4.13Å; I674-T702 VanDerWaalsContact O-CA 3.24Å; I674-T702 WeakPolarHBondContact O-CA 3.47Å; L675-T702 HydrophobicContact CB-CG2 4.43Å; L675-T702 HydrophobicContact CD1-CG2 3.75Å
703	T	93.7	Very high	78.3	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.5	169	-170	0	0	0	0	110.2	F598 K600 P601 Y603 M620 I674	F598-T703 HydrophobicContact CB-CG2 4.19Å; F598-T703 HydrophobicContact CD1-CG2 3.49Å; F598-T703 VanDerWaalsContact CD1-CG2 3.49Å; F598-T703 HydrophobicContact CD2-CG2 3.66Å; F598-T703 HydrophobicContact CE1-CG2 3.63Å; F598-T703 HydrophobicContact CE2-CG2 3.79Å; F598-T703 HydrophobicContact CG-CG2 3.51Å; F598-T703 HydrophobicContact CZ-CG2 3.77Å; K600-T703 PolarHBondContact O-OG1 3.45Å; P601-T703 VanDerWaalsContact C-OG1 3.24Å; P601-T703 PolarHBondContact O-OG1 2.7Å; Y603-T703 HydrophobicContact CD2-CG2 3.94Å; Y603-T703 HydrophobicContact CE2-CG2 3.86Å; M620-T703 HydrophobicContact CE-CG2 3.44Å; M620-T703 VanDerWaalsContact CE-CG2 3.44Å; I674-T703 HydrophobicContact CB-CG2 3.97Å; I674-T703 HydrophobicContact CG1-CG2 4.37Å; I674-T703 PolarHBondContact N-O 2.71Å; I674-T703 PolarHBondContact O-N 3.05Å
704	Q	92.5	Very high	81	Confident	73 Å²	73	56.6 Å²	56.6	34%	0.341	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.5	176.6	-69.4	-70.8	-76.2	0	0	109.8	P601 L602 Y603 T673	P601-Q704 PolarHBondContact O-N 2.73Å; L602-Q704 CarbonylContact C-O 3.56Å; L602-Q704 WeakPolarHBondContact CA-O 3.12Å; L602-Q704 HydrophobicContact CD1-CB 3.71Å; Y603-Q704 PolarHBondContact N-O 2.79Å; T673-Q704 PolarHBondContact OG1-NE2 2.92Å
705	L	93.7	Very high	83.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.9	166.7	174	64.2	0	0	0	109.2	V605 I618 M620 I656 K671 L672 I674 I707	V605-L705 HydrophobicContact CG1-CD1 3.92Å; I618-L705 HydrophobicContact CD1-CD1 4.3Å; I618-L705 HydrophobicContact CG2-CD1 4.16Å; I618-L705 HydrophobicContact CG2-CD2 3.68Å; M620-L705 HydrophobicContact SD-CD2 4.45Å; I656-L705 HydrophobicContact CD1-CD2 3.39Å; K671-L705 WeakPolarHBondContact CA-O 3.47Å; L672-L705 HydrophobicContact CB-CB 4.41Å; L672-L705 HydrophobicContact CD1-CD2 4.45Å; L672-L705 PolarHBondContact N-O 3.44Å; L672-L705 PolarHBondContact O-N 3.21Å; I674-L705 HydrophobicContact CD1-CB 4.37Å; I674-L705 HydrophobicContact CG1-CB 4.15Å; L705-I707 HydrophobicContact CD2-CD1 4.11Å; L705-I707 HydrophobicContact CD2-CG1 3.94Å; L705-I707 HydrophobicContact CG-CG1 3.95Å
706	I	93.3	Very high	86.2	Confident	27 Å²	27	46.3 Å²	46.3	14%	0.138	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.5	169	-53.6	-179.8	0	0	0	108.4	L602 Y603 K604 V605 T669 F670 K671 H708	L602-I706 HydrophobicContact CD1-CD1 3.92Å; L602-I706 HydrophobicContact CD1-CG1 3.95Å; Y603-I706 PolarHBondContact O-N 3.26Å; K604-I706 WeakPolarHBondContact CA-O 3.17Å; K604-I706 HydrophobicContact CG-CB 4.42Å; V605-I706 PolarHBondContact N-O 3.13Å; T669-I706 HydrophobicContact CG2-CG2 3.7Å; F670-I706 WeakPolarHBondContact O-CA 3.44Å; K671-I706 HydrophobicContact CG-CG1 4.35Å; I706-H708 WeakPolarHBondContact CG2-NE2 3.38Å
707	I	92.6	Very high	88.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.5	171.6	-51.7	176.6	0	0	0	106.7	V605 F607 I617 F647 T669 F670 L672 L705 M709	V605-I707 HydrophobicContact CG1-CB 4.21Å; V605-I707 HydrophobicContact CG1-CG1 3.83Å; V605-I707 HydrophobicContact CG1-CG2 4.18Å; V605-I707 WeakPolarHBondContact O-CA 3.39Å; F607-I707 HydrophobicContact CB-CG2 3.75Å; I617-I707 HydrophobicContact CD1-CD1 4.28Å; I617-I707 HydrophobicContact CG2-CD1 4.41Å; F647-I707 HydrophobicContact CD1-CD1 4Å; F647-I707 HydrophobicContact CE1-CD1 3.6Å; F647-I707 HydrophobicContact CE2-CD1 4.16Å; F647-I707 HydrophobicContact CG-CD1 4.44Å; F647-I707 HydrophobicContact CZ-CD1 3.69Å; T669-I707 WeakPolarHBondContact CA-O 3.4Å; F670-I707 HydrophobicContact CB-CB 4.31Å; F670-I707 PolarHBondContact N-O 3.22Å; F670-I707 PolarHBondContact O-N 2.78Å; L672-I707 HydrophobicContact CD1-CD1 3.83Å; L705-I707 HydrophobicContact CD2-CD1 4.11Å; L705-I707 HydrophobicContact CD2-CG1 3.94Å; L705-I707 HydrophobicContact CG-CG1 3.95Å; I707-M709 HydrophobicContact CG2-SD 4.26Å
708	H	92.9	Very high	89.8	Confident	70 Å²	70	41.5 Å²	41.5	32%	0.324	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.6	168.4	-65.9	-64.6	0	0	0	108.3	V605 T606 F607 T669 I706	V605-H708 PolarHBondContact O-N 3.33Å; T606-H708 CarbonylContact C-O 3.56Å; T606-H708 VanDerWaalsContact CA-O 3.32Å; T606-H708 WeakPolarHBondContact CA-O 3.46Å; F607-H708 PolarHBondContact N-O 2.76Å; T669-H708 PolarHBondContact OG1-ND1 3.08Å; I706-H708 WeakPolarHBondContact CG2-NE2 3.38Å
709	M	92.2	Very high	90.5	Very high	11 Å²	11	38 Å²	38	5%	0.054	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.3	175	-63.6	-54.8	-60.2	0	0	109.2	F607 E609 I662 R664 Q667 S668 F670 I707	F607-M709 HydrophobicContact CB-SD 4.39Å; F607-M709 HydrophobicContact CD1-CE 3.9Å; F607-M709 HydrophobicContact CD1-SD 4.04Å; F607-M709 CarbonylContact O-C 3.6Å; F607-M709 VanDerWaalsContact O-CA 3.3Å; F607-M709 WeakPolarHBondContact O-CA 3.43Å; E609-M709 HydrophobicContact CB-CE 3.79Å; I662-M709 HydrophobicContact CB-CE 3.88Å; I662-M709 HydrophobicContact CG2-CE 3.72Å; I662-M709 HydrophobicContact CG2-CG 4.42Å; I662-M709 HydrophobicContact CG2-SD 3.99Å; R664-M709 HydrophobicContact CB-CB 4.12Å; R664-M709 HydrophobicContact CG-CB 3.83Å; Q667-M709 WeakPolarHBondContact O-CG 3.41Å; S668-M709 PolarHBondContact O-N 3.24Å; F670-M709 HydrophobicContact CD2-CG 4.12Å; F670-M709 HydrophobicContact CD2-SD 4.17Å; F670-M709 HydrophobicContact CE2-CG 3.78Å; F670-M709 HydrophobicContact CE2-SD 3.93Å; I707-M709 HydrophobicContact CG2-SD 4.26Å
710	L	91.3	Very high	90.4	Very high	81 Å²	81	39.9 Å²	39.9	42%	0.424	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.9	173.4	-63.9	177.1	0	0	0	109.9	T606 F607 E609	T606-L710 HydrophobicContact CG2-CD2 3.99Å; T606-L710 HydrophobicContact CG2-CG 4.45Å; F607-L710 PolarHBondContact O-N 3.46Å; E609-L710 PolarHBondContact N-O 3.25Å
711	D	90.5	Very high	89.8	Confident	35 Å²	35	39 Å²	39	19%	0.187	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-60.6	143.1	-177.6	-167.8	84.6	0	0	0	114.4	E609 R664 E747 N750	E609-D711 WeakPolarHBondContact OE1-CA 3.36Å; R664-D711 WeakPolarHBondContact CD-OD1 3.22Å; R664-D711 IonicContact CZ-OD1 2.67Å; R664-D711 VanDerWaalsContact CZ-OD1 3.23Å; R664-D711 IonicContact NE-OD1 2.82Å; R664-D711 PolarHBondContact NE-OD1 2.81Å; R664-D711 IonicContact NH1-OD1 2.69Å; R664-D711 IonicContact NH2-OD1 3.56Å; D711-E747 HydrophobicContact CB-CB 3.81Å; D711-E747 VanDerWaalsContact CG-CB 3.46Å; D711-E747 VanDerWaalsContact OD1-CB 3.27Å; D711-E747 WeakPolarHBondContact OD1-CB 3.3Å; D711-E747 PolarHBondContact OD1-N 2.7Å; D711-E747 PolarHBondContact OD2-N 2.75Å; D711-N750 WeakPolarHBondContact OD2-CB 3.11Å; D711-N750 PolarHBondContact OD2-ND2 3.36Å
712	V	89.7	Confident	89.2	Confident	34 Å²	34	41.8 Å²	41.8	21%	0.206	23%	0.232	C	C	.	.			trans	-141.1	119.7	177.8	176.7	0	0	0	0	109	K608 E609 D714	K608-V712 HydrophobicContact CD-CG2 4.07Å; K608-V712 HydrophobicContact CG-CG2 3.7Å; E609-V712 HydrophobicContact CG-CB 3.78Å; E609-V712 HydrophobicContact CG-CG2 3.69Å; E609-V712 PolarHBondContact OE1-N 3.3Å; V712-D714 PolarHBondContact O-N 3.19Å
713	N	91.1	Very high	88.3	Confident	14 Å²	14	42.8 Å²	42.8	8%	0.075	23%	0.227	C	C	.	.			trans	-55.9	103.7	179.1	-163.4	-6.6	0	0	0	111.9	N715 D746 N750 D799 K804 Y806	N713-N715 PolarHBondContact OD1-O 2.88Å; N713-D746 VanDerWaalsContact CA-OD2 3.28Å; N713-D746 WeakPolarHBondContact CA-OD2 3.46Å; N713-D746 PolarHBondContact OD1-OD2 3.16Å; N713-N750 HydrophobicContact CB-CB 4Å; N713-N750 PolarHBondContact N-ND2 2.66Å; N713-D799 PolarHBondContact ND2-OD1 3.05Å; N713-D799 PolarHBondContact ND2-OD2 3.11Å; N713-D799 VanDerWaalsContact ND2-OD2 3.09Å; N713-K804 PolarHBondContact ND2-O 2.81Å; N713-Y806 HydrophobicContact CB-CE2 4.11Å; N713-Y806 VanDerWaalsContact CG-CE2 3.46Å; N713-Y806 VanDerWaalsContact O-CE2 3.23Å; N713-Y806 WeakPolarHBondContact O-CE2 3.17Å; N713-Y806 PolarHBondContact O-OH 2.91Å; N713-Y806 WeakPolarHBondContact OD1-CD2 3.08Å; N713-Y806 WeakPolarHBondContact OD1-CE2 3.47Å
714	D	89.7	Confident	87.5	Confident	57 Å²	57	50.3 Å²	50.3	31%	0.305	26%	0.262	S	S	.	.			trans	-140.2	-17.3	-177.9	101.3	1.2	0	0	0	115.6	N610 V712 D746 Y806	N610-D714 PolarHBondContact ND2-OD2 2.7Å; V712-D714 PolarHBondContact O-N 3.19Å; D714-D746 PolarHBondContact N-OD2 3.27Å; D714-Y806 WeakPolarHBondContact CA-OH 3.46Å
715	N	89.8	Confident	86.8	Confident	28 Å²	28	47.8 Å²	47.8	15%	0.15	25%	0.25	C	S	.	.			trans	-86.4	-178	164.1	-65.2	-91.6	0	0	0	110.9	N713 K745 D746 Y806	N713-N715 PolarHBondContact OD1-O 2.88Å; N715-K745 HydrophobicContact CB-CB 4.32Å; N715-K745 HydrophobicContact CB-CG 4.49Å; N715-K745 PolarHBondContact OD1-NZ 2.86Å; N715-D746 VanDerWaalsContact CB-OD1 3.23Å; N715-D746 WeakPolarHBondContact CB-OD1 3.49Å; N715-D746 PolarHBondContact N-OD2 3.07Å; N715-D746 VanDerWaalsContact N-OD2 3.14Å; N715-D746 PolarHBondContact ND2-OD1 3.44Å; N715-Y806 VanDerWaalsContact O-CD2 3.27Å; N715-Y806 WeakPolarHBondContact O-CD2 2.97Å
716	A	90.1	Very high	85.9	Confident	37 Å²	37	50.9 Å²	50.9	31%	0.306	28%	0.275	S	S	.	.			trans	-144.1	152.1	175.9	0	0	0	0	0	108.8	E718 D744 Y806 T808	A716-E718 PolarHBondContact O-N 2.93Å; A716-D744 VanDerWaalsContact C-OD2 3.23Å; A716-Y806 HydrophobicContact CB-CD1 4.28Å; A716-Y806 HydrophobicContact CB-CG 4.15Å; A716-T808 HydrophobicContact CB-CG2 4.06Å
717	P	91.1	Very high	85.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.			trans	-62.1	131.9	-173.2	-23	30.4	0	0	0	111.7	V742 D744 I753 A797 D799 T808	P717-V742 HydrophobicContact CB-CG1 3.77Å; P717-D744 WeakPolarHBondContact CA-OD2 3.5Å; P717-D744 WeakPolarHBondContact CD-OD2 3.42Å; P717-D744 WeakPolarHBondContact CG-OD2 3.37Å; P717-I753 HydrophobicContact CB-CG1 4.4Å; P717-I753 HydrophobicContact CB-CG2 4.48Å; P717-A797 HydrophobicContact CB-CB 3.75Å; P717-A797 HydrophobicContact CG-CB 4.35Å; P717-D799 HydrophobicContact CG-CB 4.47Å; P717-T808 VanDerWaalsContact O-CB 3.31Å; P717-T808 WeakPolarHBondContact O-CB 3.38Å; P717-T808 WeakPolarHBondContact O-CG2 3.07Å; P717-T808 PolarHBondContact O-OG1 3.17Å
718	E	88.3	Confident	84.2	Confident	94 Å²	94	55 Å²	55	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.6	-177.5	-177.9	178.9	-156.3	0	0	112	A716 Y720 V742 I743	A716-E718 PolarHBondContact O-N 2.93Å; E718-Y720 HydrophobicContact CB-CD2 4.44Å; E718-Y720 HydrophobicContact CB-CE2 3.79Å; E718-Y720 HydrophobicContact CG-CD2 4.23Å; E718-Y720 HydrophobicContact CG-CE2 3.61Å; E718-Y720 WeakPolarHBondContact O-CD2 3.38Å; E718-Y720 WeakPolarHBondContact OE2-CE2 3.08Å; E718-Y720 VanDerWaalsContact OE2-CZ 3.24Å; E718-Y720 PolarHBondContact OE2-OH 3.36Å; E718-V742 WeakPolarHBondContact O-CA 3.38Å; E718-V742 WeakPolarHBondContact O-CG1 3.48Å; E718-I743 PolarHBondContact N-O 2.81Å; E718-I743 PolarHBondContact O-N 3.05Å
719	F	85.9	Confident	83.1	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.2	-178.2	-72.5	-92.3	0	0	0	112.3	R723 L740 V742 L755 M795 A797 T808 D810	F719-R723 PolarHBondContact O-NH2 2.72Å; F719-L740 HydrophobicContact CD1-CD1 4.24Å; F719-L740 HydrophobicContact CD1-CD2 4.04Å; F719-L740 HydrophobicContact CD1-CG 4.32Å; F719-L740 HydrophobicContact CE1-CD2 3.91Å; F719-V742 HydrophobicContact CD1-CG2 3.46Å; F719-V742 VanDerWaalsContact CD1-CG2 3.46Å; F719-V742 HydrophobicContact CE1-CG2 3.65Å; F719-V742 HydrophobicContact CG-CG2 4.13Å; F719-V742 HydrophobicContact CZ-CG2 4.45Å; F719-L755 HydrophobicContact CE1-CD2 4.22Å; F719-L755 HydrophobicContact CZ-CD2 4.41Å; F719-M795 HydrophobicContact CE1-CB 4.24Å; F719-M795 HydrophobicContact CZ-CB 4.31Å; F719-A797 HydrophobicContact CE1-CB 4.4Å; F719-A797 HydrophobicContact CE2-CB 3.82Å; F719-A797 HydrophobicContact CZ-CB 3.63Å; F719-T808 VanDerWaalsContact CE2-OG1 3.29Å; F719-T808 WeakPolarHBondContact CE2-OG1 3.15Å; F719-D810 HydrophobicContact CB-CB 4.31Å; F719-D810 HydrophobicContact CD1-CB 4.22Å; F719-D810 HydrophobicContact CD2-CB 3.63Å; F719-D810 HydrophobicContact CE1-CB 4.43Å; F719-D810 HydrophobicContact CE2-CB 3.86Å; F719-D810 HydrophobicContact CG-CB 3.81Å; F719-D810 HydrophobicContact CZ-CB 4.25Å
720	Y	81.2	Confident	82	Confident	97 Å²	97	55.7 Å²	55.7	38%	0.38	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.5	-179.5	-75.6	-96	0	0	0	112	E718 K741 I743	E718-Y720 HydrophobicContact CB-CD2 4.44Å; E718-Y720 HydrophobicContact CB-CE2 3.79Å; E718-Y720 HydrophobicContact CG-CD2 4.23Å; E718-Y720 HydrophobicContact CG-CE2 3.61Å; E718-Y720 WeakPolarHBondContact O-CD2 3.38Å; E718-Y720 WeakPolarHBondContact OE2-CE2 3.08Å; E718-Y720 VanDerWaalsContact OE2-CZ 3.24Å; E718-Y720 PolarHBondContact OE2-OH 3.36Å; Y720-K741 PolarHBondContact N-O 2.99Å; Y720-K741 PolarHBondContact O-N 2.8Å; Y720-K741 VanDerWaalsContact O-O 3.07Å; Y720-I743 HydrophobicContact CD1-CD1 4.39Å; Y720-I743 HydrophobicContact CD2-CB 4.03Å; Y720-I743 HydrophobicContact CD2-CD1 3.58Å; Y720-I743 HydrophobicContact CD2-CG1 3.68Å; Y720-I743 HydrophobicContact CE2-CB 3.96Å; Y720-I743 HydrophobicContact CE2-CD1 3.78Å; Y720-I743 HydrophobicContact CE2-CG1 4.04Å; Y720-I743 HydrophobicContact CG-CD1 3.93Å; Y720-I743 HydrophobicContact CG-CG1 4.37Å
721	G	74.8	Confident	80.9	Confident	48 Å²	48	55 Å²	55	50%	0.495	30%	0.295	S	S	.	.	S	Bend	trans	105.8	-164.3	175	0	0	0	0	0	114.8	R723	G721-R723 PolarHBondContact O-NH1 2.77Å
722	P	75.9	Confident	79.8	Confident	76 Å²	76	56.7 Å²	56.7	49%	0.494	31%	0.308	S	S	.	.			trans	-71.1	144.7	-178.4	29.9	-34.1	0	0	0	112	F725	P722-F725 HydrophobicContact CB-CE1 4.46Å; P722-F725 HydrophobicContact CB-CZ 4.43Å; P722-F725 HydrophobicContact CG-CE1 3.83Å; P722-F725 HydrophobicContact CG-CZ 3.93Å; P722-F725 WeakPolarHBondContact O-CZ 3.08Å
723	R	74.1	Confident	78.2	Confident	101 Å²	101	58.1 Å²	58.1	38%	0.381	32%	0.32	S	S	.	.	S	Bend	trans	-113.9	-0.6	178.1	-67.9	160.9	167.5	80.9	2.5	113	F719 G721 D810 C813	F719-R723 PolarHBondContact O-NH2 2.72Å; G721-R723 PolarHBondContact O-NH1 2.77Å; R723-D810 IonicContact CZ-OD2 3.43Å; R723-D810 IonicContact NE-OD1 3.95Å; R723-D810 IonicContact NE-OD2 3.56Å; R723-D810 PolarHBondContact NE-OD2 3.25Å; R723-D810 IonicContact NH2-OD2 2.7Å; R723-D810 PolarHBondContact NH2-OD2 3.29Å; R723-C813 PolarHBondContact O-N 2.89Å
724	Q	77.8	Confident	76.8	Confident	161 Å²	161	63 Å²	63	75%	0.752	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.9	178.2	-65.8	-179.2	6.1	0	0	107.6	C813	Q724-C813 WeakPolarHBondContact CA-O 3.27Å; Q724-C813 HydrophobicContact CG-CB 4.39Å
725	F	77.2	Confident	75.8	Confident	21 Å²	21	61.6 Å²	61.6	9%	0.092	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.9	176	-56.3	-91.1	0	0	0	109.3	P722 I737 L780 I812 C813 I814 R815	P722-F725 HydrophobicContact CB-CE1 4.46Å; P722-F725 HydrophobicContact CB-CZ 4.43Å; P722-F725 HydrophobicContact CG-CE1 3.83Å; P722-F725 HydrophobicContact CG-CZ 3.93Å; P722-F725 WeakPolarHBondContact O-CZ 3.08Å; F725-I737 HydrophobicContact CB-CG2 3.42Å; F725-I737 VanDerWaalsContact CB-CG2 3.42Å; F725-I737 HydrophobicContact CD1-CG2 4.22Å; F725-I737 WeakPolarHBondContact CD1-O 3.46Å; F725-I737 HydrophobicContact CG-CG2 3.87Å; F725-L780 HydrophobicContact CD2-CD1 3.94Å; F725-L780 HydrophobicContact CE2-CD1 3.68Å; F725-L780 HydrophobicContact CZ-CD1 4.05Å; F725-I812 HydrophobicContact CD2-CG2 3.58Å; F725-I812 HydrophobicContact CE2-CG2 3.62Å; F725-C813 PolarHBondContact N-O 2.92Å; F725-I814 HydrophobicContact CB-CG1 4.42Å; F725-I814 WeakPolarHBondContact O-CA 3.46Å; F725-R815 PolarHBondContact O-N 3.44Å
726	A	74.5	Confident	74.9	Confident	64 Å²	64	67 Å²	67	53%	0.529	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.6	177.6	0	0	0	0	0	110.2	R815 L817	A726-R815 VanDerWaalsContact CA-O 3.29Å; A726-R815 WeakPolarHBondContact CA-O 3.36Å; A726-L817 HydrophobicContact CB-CD1 4.49Å
727	I	76.5	Confident	74.1	Confident	16 Å²	16	66 Å²	66	8%	0.082	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.1	176.3	-167.9	166.3	0	0	0	108.4	Q731 T735 I737 T782 I814 R815 I816 L817	I727-Q731 HydrophobicContact CD1-CB 4.09Å; I727-Q731 HydrophobicContact CD1-CG 4.43Å; I727-Q731 HydrophobicContact CG1-CB 4.13Å; I727-Q731 HydrophobicContact CG1-CG 3.94Å; I727-T735 HydrophobicContact CD1-CG2 3.75Å; I727-I737 HydrophobicContact CD1-CG1 4.14Å; I727-T782 HydrophobicContact CD1-CG2 3.91Å; I727-I814 HydrophobicContact CG2-CG2 4.35Å; I727-R815 PolarHBondContact N-O 3.39Å; I727-I816 HydrophobicContact CG2-CG1 4.34Å; I727-I816 CarbonylContact O-C 3.41Å; I727-I816 VanDerWaalsContact O-CA 3.28Å; I727-I816 WeakPolarHBondContact O-CA 3.39Å; I727-L817 PolarHBondContact O-N 2.9Å
728	E	74	Confident	73.2	Confident	99 Å²	99	66.2 Å²	66.2	46%	0.463	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	151.5	169.6	-65.1	166.5	172.5	0	0	109.5	Q731 L817	E728-Q731 HydrophobicContact CB-CG 3.96Å; E728-Q731 WeakPolarHBondContact O-CG 3.1Å; E728-Q731 PolarHBondContact OE2-NE2 3.4Å; E728-L817 HydrophobicContact CG-CD1 4.45Å
729	E	69.3	Low	72.4	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.075	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	173.6	166.3	75.2	-176.6	148.2	0	0	111.7	Q731 F788 I816 L817 L819	E729-Q731 PolarHBondContact O-N 3.26Å; E729-F788 WeakPolarHBondContact OE2-CE2 3.45Å; E729-I816 HydrophobicContact CB-CG2 3.71Å; E729-L817 PolarHBondContact N-O 2.9Å; E729-L819 HydrophobicContact CG-CB 4.3Å; E729-L819 HydrophobicContact CG-CD1 3.95Å; E729-L819 HydrophobicContact CG-CG 4.02Å; E729-L819 PolarHBondContact OE1-N 2.79Å
730	N	69.5	Low	71.8	Confident	79 Å²	79	64.5 Å²	64.5	42%	0.422	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	5	-177.2	-72.6	-47.5	0	0	0	116.7	H785 D821	N730-H785 PolarHBondContact O-CE1 2.85Å; N730-H785 PolarHBondContact OD1-ND1 2.97Å; N730-D821 PolarHBondContact ND2-OD2 3.21Å
731	Q	68.3	Low	71.8	Confident	65 Å²	65	64.4 Å²	64.4	30%	0.304	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-63.9	142.7	171.2	-68	-67.2	-19.4	0	0	111.2	I727 E728 E729 T735	I727-Q731 HydrophobicContact CD1-CB 4.09Å; I727-Q731 HydrophobicContact CD1-CG 4.43Å; I727-Q731 HydrophobicContact CG1-CB 4.13Å; I727-Q731 HydrophobicContact CG1-CG 3.94Å; E728-Q731 HydrophobicContact CB-CG 3.96Å; E728-Q731 WeakPolarHBondContact O-CG 3.1Å; E728-Q731 PolarHBondContact OE2-NE2 3.4Å; E729-Q731 PolarHBondContact O-N 3.26Å; Q731-T735 HydrophobicContact CB-CG2 4.41Å
732	P	66.5	Low	72.2	Confident	72 Å²	72	62.2 Å²	62.2	47%	0.468	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-70.6	158.6	-172.1	28.3	-34.5	0	0	0	113	T735 T782	P732-T735 WeakPolarHBondContact CD-OG1 3.39Å; P732-T735 WeakPolarHBondContact CG-OG1 3.46Å; P732-T735 WeakPolarHBondContact O-CB 3.03Å; P732-T735 PolarHBondContact O-N 2.86Å; P732-T735 PolarHBondContact O-OG1 2.65Å; P732-T782 PolarHBondContact O-OG1 3.2Å
733	S	56.4	Low	72.8	Confident	64 Å²	64	61.1 Å²	61.1	45%	0.448	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	139.3	165.9	58.3	0	0	0	0	110.8	D783	S733-D783 WeakPolarHBondContact CB-O 3.26Å
734	N	63.1	Low	73.5	Confident	115 Å²	115	57 Å²	57	62%	0.615	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	28.9	-170.4	-57.2	-82	0	0	0	115.7	I781 T782	N734-I781 HydrophobicContact CB-CG2 4.13Å; N734-T782 PolarHBondContact N-O 3.27Å
735	T	68	Low	74.1	Confident	28 Å²	28	55 Å²	55	17%	0.172	29%	0.286	C	S	.	.			trans	-77	131.2	169.9	-61.7	0	0	0	0	110.8	I727 Q731 P732 I781 T782	I727-T735 HydrophobicContact CD1-CG2 3.75Å; Q731-T735 HydrophobicContact CB-CG2 4.41Å; P732-T735 WeakPolarHBondContact CD-OG1 3.39Å; P732-T735 WeakPolarHBondContact CG-OG1 3.46Å; P732-T735 WeakPolarHBondContact O-CB 3.03Å; P732-T735 PolarHBondContact O-N 2.86Å; P732-T735 PolarHBondContact O-OG1 2.65Å; T735-I781 WeakPolarHBondContact O-CA 3.3Å; T735-T782 PolarHBondContact N-OG1 2.86Å; T735-T782 PolarHBondContact O-N 2.95Å
736	W	70.3	Confident	74.8	Confident	142 Å²	142	54.2 Å²	54.2	54%	0.538	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	120.7	173.7	173.4	85	0	0	0	110.4	D739	W736-D739 PolarHBondContact NE1-OD1 3.3Å
737	I	73.8	Confident	75.5	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-32.7	179.8	-60.4	167.8	0	0	0	110.8	F725 I727 F765 L780 T782 I814	F725-I737 HydrophobicContact CB-CG2 3.42Å; F725-I737 VanDerWaalsContact CB-CG2 3.42Å; F725-I737 HydrophobicContact CD1-CG2 4.22Å; F725-I737 WeakPolarHBondContact CD1-O 3.46Å; F725-I737 HydrophobicContact CG-CG2 3.87Å; I727-I737 HydrophobicContact CD1-CG1 4.14Å; I737-F765 HydrophobicContact CD1-CE1 3.83Å; I737-L780 HydrophobicContact CB-CB 3.82Å; I737-L780 WeakPolarHBondContact CB-O 3.44Å; I737-L780 HydrophobicContact CD1-CB 4.19Å; I737-L780 HydrophobicContact CG2-CB 4.28Å; I737-L780 PolarHBondContact N-O 2.95Å; I737-T782 HydrophobicContact CD1-CG2 3.78Å; I737-T782 HydrophobicContact CG1-CG2 4.19Å; I737-I814 HydrophobicContact CD1-CD1 4.2Å; I737-I814 HydrophobicContact CG2-CG1 4.45Å
738	G	72.3	Confident	76	Confident	5 Å²	5	58.4 Å²	58.4	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	173.1	-176.8	0	0	0	0	0	112.7	L780	G738-L780 PolarHBondContact O-N 2.9Å
739	D	70.5	Confident	76.6	Confident	66 Å²	66	57 Å²	57	35%	0.353	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.1	178.5	-58.7	-36.8	0	0	0	111.1	W736 T778	W736-D739 PolarHBondContact NE1-OD1 3.3Å; D739-T778 WeakPolarHBondContact CA-O 3.47Å
740	L	73.4	Confident	77.5	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.1	168.8	-172.8	69.2	0	0	0	109.8	F719 T777 T778 M795 I812	F719-L740 HydrophobicContact CD1-CD1 4.24Å; F719-L740 HydrophobicContact CD1-CD2 4.04Å; F719-L740 HydrophobicContact CD1-CG 4.32Å; F719-L740 HydrophobicContact CE1-CD2 3.91Å; L740-T777 CarbonylContact O-C 3.58Å; L740-T777 WeakPolarHBondContact O-CA 3.06Å; L740-T778 PolarHBondContact N-O 2.78Å; L740-T778 PolarHBondContact O-N 3.24Å; L740-M795 HydrophobicContact CD2-CE 3.62Å; L740-M795 HydrophobicContact CD2-SD 3.59Å; L740-M795 VanDerWaalsContact CD2-SD 3.59Å; L740-I812 HydrophobicContact CD1-CD1 3.84Å; L740-I812 HydrophobicContact CD2-CD1 3.72Å; L740-I812 HydrophobicContact CG-CD1 4.3Å
741	K	80.9	Confident	78.4	Confident	94 Å²	94	55.2 Å²	55.2	41%	0.409	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	134.6	175.1	-168.7	-173.4	-175.8	-167.6	0	110.4	Y720 I743	Y720-K741 PolarHBondContact N-O 2.99Å; Y720-K741 PolarHBondContact O-N 2.8Å; Y720-K741 VanDerWaalsContact O-O 3.07Å; K741-I743 HydrophobicContact CD-CD1 4.12Å; K741-I743 HydrophobicContact CD-CG1 4.23Å; K741-I743 HydrophobicContact CG-CG1 4.28Å
742	V	84.5	Confident	79.3	Confident	3 Å²	3	57 Å²	57	2%	0.018	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.9	169.6	-172.7	0	0	0	0	108.7	P717 E718 F719 I753 L755 A797	P717-V742 HydrophobicContact CB-CG1 3.77Å; E718-V742 WeakPolarHBondContact O-CA 3.38Å; E718-V742 WeakPolarHBondContact O-CG1 3.48Å; F719-V742 HydrophobicContact CD1-CG2 3.46Å; F719-V742 VanDerWaalsContact CD1-CG2 3.46Å; F719-V742 HydrophobicContact CE1-CG2 3.65Å; F719-V742 HydrophobicContact CG-CG2 4.13Å; F719-V742 HydrophobicContact CZ-CG2 4.45Å; V742-I753 HydrophobicContact CB-CD1 4.11Å; V742-I753 HydrophobicContact CB-CG2 4.3Å; V742-I753 HydrophobicContact CG1-CD1 3.93Å; V742-I753 HydrophobicContact CG1-CG1 4.5Å; V742-I753 HydrophobicContact CG1-CG2 3.98Å; V742-I753 WeakPolarHBondContact O-CD1 3.32Å; V742-L755 HydrophobicContact CG2-CD1 4.39Å; V742-L755 HydrophobicContact CG2-CD2 3.87Å; V742-A797 HydrophobicContact CG1-CB 3.9Å
743	I	87.5	Confident	80.1	Confident	52 Å²	52	54.5 Å²	54.5	27%	0.267	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.3	-177.9	-48.8	177.2	0	0	0	107.9	E718 Y720 K741	E718-I743 PolarHBondContact N-O 2.81Å; E718-I743 PolarHBondContact O-N 3.05Å; Y720-I743 HydrophobicContact CD1-CD1 4.39Å; Y720-I743 HydrophobicContact CD2-CB 4.03Å; Y720-I743 HydrophobicContact CD2-CD1 3.58Å; Y720-I743 HydrophobicContact CD2-CG1 3.68Å; Y720-I743 HydrophobicContact CE2-CB 3.96Å; Y720-I743 HydrophobicContact CE2-CD1 3.78Å; Y720-I743 HydrophobicContact CE2-CG1 4.04Å; Y720-I743 HydrophobicContact CG-CD1 3.93Å; Y720-I743 HydrophobicContact CG-CG1 4.37Å; K741-I743 HydrophobicContact CD-CD1 4.12Å; K741-I743 HydrophobicContact CD-CG1 4.23Å; K741-I743 HydrophobicContact CG-CG1 4.28Å
744	D	90	Very high	81.4	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.08	28%	0.275	C	S	.	.			trans	-110.9	159.1	161.6	-148.7	-41.4	0	0	0	108.5	A716 P717 I753	A716-D744 VanDerWaalsContact C-OD2 3.23Å; P717-D744 WeakPolarHBondContact CA-OD2 3.5Å; P717-D744 WeakPolarHBondContact CD-OD2 3.42Å; P717-D744 WeakPolarHBondContact CG-OD2 3.37Å; D744-I753 HydrophobicContact CB-CD1 4.46Å; D744-I753 HydrophobicContact CB-CG1 4.28Å
745	K	90.3	Very high	82.2	Confident	118 Å²	118	48.5 Å²	48.5	51%	0.513	25%	0.25	S	C	.	.			trans	-98.8	-29	-173.3	-53.9	-172.5	-157.5	137.7	0	113.4	R664 E665 N715	R664-K745 PolarHBondContact NH2-O 2.99Å; E665-K745 HydrophobicContact CB-CB 4.44Å; E665-K745 HydrophobicContact CG-CB 3.55Å; E665-K745 HydrophobicContact CG-CD 4.29Å; N715-K745 HydrophobicContact CB-CB 4.32Å; N715-K745 HydrophobicContact CB-CG 4.49Å; N715-K745 PolarHBondContact OD1-NZ 2.86Å
746	D	92.4	Very high	82.3	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.032	27%	0.265	C	S	.	.	S	Bend	trans	-69.3	-171.6	-170.4	-61.8	9.6	0	0	0	111.4	R664 N713 D714 N715 N750 S751	R664-D746 VanDerWaalsContact NH2-CA 3.35Å; N713-D746 VanDerWaalsContact CA-OD2 3.28Å; N713-D746 WeakPolarHBondContact CA-OD2 3.46Å; N713-D746 PolarHBondContact OD1-OD2 3.16Å; D714-D746 PolarHBondContact N-OD2 3.27Å; N715-D746 VanDerWaalsContact CB-OD1 3.23Å; N715-D746 WeakPolarHBondContact CB-OD1 3.49Å; N715-D746 PolarHBondContact N-OD2 3.07Å; N715-D746 VanDerWaalsContact N-OD2 3.14Å; N715-D746 PolarHBondContact ND2-OD1 3.44Å; D746-N750 HydrophobicContact CB-CB 3.71Å; D746-S751 VanDerWaalsContact C-OG 3.29Å; D746-S751 WeakPolarHBondContact O-CB 3.23Å; D746-S751 PolarHBondContact O-OG 2.76Å
747	E	88	Confident	82.2	Confident	113 Å²	113	48.1 Å²	48.1	53%	0.528	25%	0.251	S	S	.	.			trans	-114.9	138.1	-172.3	-145.6	171.3	140.2	0	0	115.2	R664 D711 L749 N750	R664-E747 IonicContact CZ-OE2 2.98Å; R664-E747 IonicContact NH1-OE2 3.12Å; R664-E747 PolarHBondContact NH1-OE2 2.67Å; D711-E747 HydrophobicContact CB-CB 3.81Å; D711-E747 VanDerWaalsContact CG-CB 3.46Å; D711-E747 VanDerWaalsContact OD1-CB 3.27Å; D711-E747 WeakPolarHBondContact OD1-CB 3.3Å; D711-E747 PolarHBondContact OD1-N 2.7Å; D711-E747 PolarHBondContact OD2-N 2.75Å; E747-L749 PolarHBondContact O-N 3.1Å; E747-N750 PolarHBondContact O-N 2.84Å
748	G	86.8	Confident	81.8	Confident	55 Å²	55	50.7 Å²	50.7	57%	0.567	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	66.1	-115	171.4	0	0	0	0	0	112.2	N750 S751 E752	G748-N750 VanDerWaalsContact C-N 3.31Å; G748-S751 PolarHBondContact O-N 3.15Å; G748-E752 PolarHBondContact O-N 3.22Å; G748-E752 VanDerWaalsContact O-N 3.16Å
749	L	86.6	Confident	81	Confident	70 Å²	70	52.6 Å²	52.6	37%	0.366	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-70.3	-29.2	179.5	-67.3	175.3	0	0	0	112.5	E747 S751 E752 N800 G801 Q802	E747-L749 PolarHBondContact O-N 3.1Å; L749-S751 PolarHBondContact O-N 2.91Å; L749-E752 WeakPolarHBondContact CD2-OE2 3.07Å; L749-E752 PolarHBondContact O-N 3.05Å; L749-N800 CarbonylContact O-C 3.55Å; L749-N800 VanDerWaalsContact O-C 3.31Å; L749-N800 WeakPolarHBondContact O-CA 3.35Å; L749-N800 PolarHBondContact O-N 2.94Å; L749-N800 VanDerWaalsContact O-N 3.08Å; L749-G801 PolarHBondContact O-N 2.92Å; L749-Q802 HydrophobicContact CD1-CG 3.94Å
750	N	88.8	Confident	80	Confident	25 Å²	25	58.6 Å²	58.6	13%	0.134	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-72.1	-14.3	179.8	-60	-15	0	0	0	111.8	D711 N713 D746 E747 G748 D799 G801	D711-N750 WeakPolarHBondContact OD2-CB 3.11Å; D711-N750 PolarHBondContact OD2-ND2 3.36Å; N713-N750 HydrophobicContact CB-CB 4Å; N713-N750 PolarHBondContact N-ND2 2.66Å; D746-N750 HydrophobicContact CB-CB 3.71Å; E747-N750 PolarHBondContact O-N 2.84Å; G748-N750 VanDerWaalsContact C-N 3.31Å; N750-D799 VanDerWaalsContact O-CB 3.28Å; N750-D799 WeakPolarHBondContact O-CB 3.23Å; N750-G801 VanDerWaalsContact OD1-CA 3.23Å; N750-G801 WeakPolarHBondContact OD1-CA 3.45Å
751	S	87.9	Confident	78.9	Confident	31 Å²	31	60.4 Å²	60.4	22%	0.217	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-121.2	14.1	171.3	55	0	0	0	0	114.9	D746 G748 L749 I753	D746-S751 VanDerWaalsContact C-OG 3.29Å; D746-S751 WeakPolarHBondContact O-CB 3.23Å; D746-S751 PolarHBondContact O-OG 2.76Å; G748-S751 PolarHBondContact O-N 3.15Å; L749-S751 PolarHBondContact O-N 2.91Å; S751-I753 PolarHBondContact O-N 2.91Å
752	E	86.7	Confident	77.3	Confident	103 Å²	103	62.7 Å²	62.7	48%	0.481	33%	0.327	S	S	.	.			trans	-82.6	99.9	173.2	-171.3	178.9	-136.5	0	0	110.1	G748 L749 T754 D799 N800	G748-E752 PolarHBondContact O-N 3.22Å; G748-E752 VanDerWaalsContact O-N 3.16Å; L749-E752 WeakPolarHBondContact CD2-OE2 3.07Å; L749-E752 PolarHBondContact O-N 3.05Å; E752-T754 PolarHBondContact O-N 3.25Å; E752-D799 CarbonylContact O-C 3.57Å; E752-N800 HydrophobicContact CB-CB 4.27Å; E752-N800 WeakPolarHBondContact CG-ND2 3.39Å; E752-N800 PolarHBondContact O-N 3.49Å; E752-N800 PolarHBondContact O-ND2 3.28Å; E752-N800 PolarHBondContact OE2-ND2 2.88Å
753	I	84.9	Confident	75.8	Confident	19 Å²	19	69.9 Å²	69.9	10%	0.097	36%	0.358	C	S	.	.			trans	-82.1	117.1	-170.5	-55.5	154.8	0	0	0	111.9	P717 V742 D744 S751 L755 A797 S798	P717-I753 HydrophobicContact CB-CG1 4.4Å; P717-I753 HydrophobicContact CB-CG2 4.48Å; V742-I753 HydrophobicContact CB-CD1 4.11Å; V742-I753 HydrophobicContact CB-CG2 4.3Å; V742-I753 HydrophobicContact CG1-CD1 3.93Å; V742-I753 HydrophobicContact CG1-CG1 4.5Å; V742-I753 HydrophobicContact CG1-CG2 3.98Å; V742-I753 WeakPolarHBondContact O-CD1 3.32Å; D744-I753 HydrophobicContact CB-CD1 4.46Å; D744-I753 HydrophobicContact CB-CG1 4.28Å; S751-I753 PolarHBondContact O-N 2.91Å; I753-L755 HydrophobicContact CG2-CD2 4.24Å; I753-L755 HydrophobicContact CG2-CG 4.09Å; I753-A797 HydrophobicContact CG2-CB 4.14Å; I753-S798 CarbonylContact C-O 3.46Å; I753-S798 WeakPolarHBondContact CA-O 3.2Å
754	T	83	Confident	74.1	Confident	38 Å²	38	69.9 Å²	69.9	23%	0.233	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.7	163.8	-64.6	0	0	0	0	110.2	E752 K756 A797 S798 N800	E752-T754 PolarHBondContact O-N 3.25Å; T754-K756 HydrophobicContact CG2-CD 4.48Å; T754-K756 HydrophobicContact CG2-CG 4.4Å; T754-A797 WeakPolarHBondContact O-CA 3.45Å; T754-S798 PolarHBondContact N-O 2.76Å; T754-S798 PolarHBondContact O-N 3.28Å; T754-N800 PolarHBondContact OG1-OD1 3.49Å
755	L	79.1	Confident	72.2	Confident	16 Å²	16	69.9 Å²	69.9	8%	0.084	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.6	178	-72.3	167.2	0	0	0	111.9	F719 V742 I753 T778 M795 A797	F719-L755 HydrophobicContact CE1-CD2 4.22Å; F719-L755 HydrophobicContact CZ-CD2 4.41Å; V742-L755 HydrophobicContact CG2-CD1 4.39Å; V742-L755 HydrophobicContact CG2-CD2 3.87Å; I753-L755 HydrophobicContact CG2-CD2 4.24Å; I753-L755 HydrophobicContact CG2-CG 4.09Å; L755-T778 WeakPolarHBondContact CD1-OG1 3.48Å; L755-M795 HydrophobicContact CB-CE 4.3Å; L755-M795 HydrophobicContact CD2-CE 4.27Å; L755-A797 HydrophobicContact CD2-CB 3.66Å
756	K	71.4	Confident	70.2	Confident	112 Å²	112	67.9 Å²	67.9	49%	0.487	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142	176.9	-62.7	179.9	177.5	172	0	111.7	T754 M795 I796	T754-K756 HydrophobicContact CG2-CD 4.48Å; T754-K756 HydrophobicContact CG2-CG 4.4Å; K756-M795 WeakPolarHBondContact O-CA 3.47Å; K756-I796 HydrophobicContact CB-CG2 3.77Å; K756-I796 PolarHBondContact N-O 2.88Å; K756-I796 PolarHBondContact O-N 3.38Å
757	L	68.4	Low	68.1	Low	49 Å²	49	75.6 Å²	75.6	26%	0.257	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121	-179.8	-168.5	66.6	0	0	0	109.8	L759 F765 N793 M795	L757-L759 VanDerWaalsContact C-N 3.32Å; L757-L759 HydrophobicContact CD2-CD1 4.46Å; L757-L759 HydrophobicContact CD2-CD2 3.51Å; L757-L759 HydrophobicContact CD2-CG 3.87Å; L757-L759 HydrophobicContact CG-CD2 3.99Å; L757-L759 HydrophobicContact CG-CG 4.04Å; L757-L759 PolarHBondContact O-N 2.82Å; L757-L759 VanDerWaalsContact O-N 3.09Å; L757-F765 HydrophobicContact CD2-CB 3.52Å; L757-F765 HydrophobicContact CD2-CD2 4.08Å; L757-F765 HydrophobicContact CD2-CG 3.94Å; L757-N793 HydrophobicContact CD1-CB 3.8Å; L757-M795 HydrophobicContact CD1-CG 3.54Å; L757-M795 HydrophobicContact CD1-SD 4.16Å
758	L	64.6	Low	65.9	Low	70 Å²	70	75.8 Å²	75.8	37%	0.366	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	78.7	174.8	-62.7	169.6	0	0	0	108.7	G794 I796 I809	L758-G794 WeakPolarHBondContact CB-O 3.12Å; L758-G794 PolarHBondContact N-O 3.34Å; L758-I796 HydrophobicContact CD1-CB 4.32Å; L758-I796 HydrophobicContact CD2-CG2 4.36Å; L758-I796 HydrophobicContact CG-CG2 4.34Å; L758-I809 HydrophobicContact CD1-CD1 4.32Å; L758-I809 HydrophobicContact CD1-CG2 3.87Å
759	L	56.2	Low	64.2	Low	46 Å²	46	76.1 Å²	76.1	24%	0.241	38%	0.38	C	S	.	.			trans	-67.8	130.7	177.4	-72.8	173.9	0	0	0	111.4	L757 F765	L757-L759 VanDerWaalsContact C-N 3.32Å; L757-L759 HydrophobicContact CD2-CD1 4.46Å; L757-L759 HydrophobicContact CD2-CD2 3.51Å; L757-L759 HydrophobicContact CD2-CG 3.87Å; L757-L759 HydrophobicContact CG-CD2 3.99Å; L757-L759 HydrophobicContact CG-CG 4.04Å; L757-L759 PolarHBondContact O-N 2.82Å; L757-L759 VanDerWaalsContact O-N 3.09Å; L759-F765 HydrophobicContact CD2-CD2 4.38Å
760	F	49.6	Very low	62.1	Low	192 Å²	192	80 Å²	80	84%	0.842	40%	0.396	S	S	*	.	S	Bend	trans	-103.1	7.8	161.2	-78.5	-87.5	0	0	0	112
761	S	50	Low	59.7	Low	41 Å²	41	83.2 Å²	83.2	29%	0.287	42%	0.42	S	S	.	.	S	Bend	trans	-157.9	110.9	180	-178	0	0	0	0	111.1	K763 W764	S761-K763 PolarHBondContact O-N 3.43Å; S761-W764 WeakPolarHBondContact OG-CZ3 3.43Å
762	D	45.8	Very low	57.3	Low	142 Å²	142	90.1 Å²	90.1	76%	0.759	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	30.2	-160.8	-42.2	-37.5	0	0	0	116.1
763	K	54.5	Low	55	Low	154 Å²	154	89.3 Å²	89.3	67%	0.67	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.5	2.6	-160.3	-70.6	-166	177.7	-179.4	0	119.6	S761 Y784	S761-K763 PolarHBondContact O-N 3.43Å; K763-Y784 WeakPolarHBondContact O-CD2 3.33Å; K763-Y784 VanDerWaalsContact O-CE2 3.31Å; K763-Y784 WeakPolarHBondContact O-CE2 3.42Å
764	W	51.1	Low	52.8	Low	52 Å²	52	99.4 Å²	99.4	20%	0.197	49%	0.485	C	S	.	.	S	Bend	trans	-126.3	-15.5	-167.2	-65.7	-46.4	0	0	0	117.2	S761 D783 L786 Y789 L791	S761-W764 WeakPolarHBondContact OG-CZ3 3.43Å; W764-D783 PolarHBondContact O-N 2.97Å; W764-L786 HydrophobicContact CB-CD2 4.05Å; W764-L786 HydrophobicContact CD2-CD2 4.4Å; W764-L786 HydrophobicContact CG-CD2 3.66Å; W764-Y789 HydrophobicContact CH2-CD2 4.02Å; W764-Y789 HydrophobicContact CH2-CG 4.41Å; W764-Y789 HydrophobicContact CZ2-CD2 4.05Å; W764-L791 HydrophobicContact CB-CD1 4.36Å; W764-L791 HydrophobicContact CD2-CD1 4.13Å; W764-L791 HydrophobicContact CE3-CD1 3.88Å; W764-L791 HydrophobicContact CE3-CD2 3.56Å; W764-L791 HydrophobicContact CE3-CG 4.15Å; W764-L791 HydrophobicContact CG-CD1 4.4Å; W764-L791 HydrophobicContact CZ3-CD1 4.39Å; W764-L791 HydrophobicContact CZ3-CD2 3.78Å; W764-L791 HydrophobicContact CZ3-CG 4.32Å
765	F	50	Low	51	Low	16 Å²	16	103.7 Å²	103.7	7%	0.07	51%	0.506	C	S	.	.	S	Bend	trans	-138.1	148.7	-178.8	-60.2	-83	0	0	0	110.8	I737 L757 L759 E767 I781 L791 N793 I814	I737-F765 HydrophobicContact CD1-CE1 3.83Å; L757-F765 HydrophobicContact CD2-CB 3.52Å; L757-F765 HydrophobicContact CD2-CD2 4.08Å; L757-F765 HydrophobicContact CD2-CG 3.94Å; L759-F765 HydrophobicContact CD2-CD2 4.38Å; F765-E767 PolarHBondContact O-N 2.78Å; F765-I781 WeakPolarHBondContact CD1-O 3.35Å; F765-L791 HydrophobicContact CE2-CD1 3.89Å; F765-L791 HydrophobicContact CE2-CD2 4.27Å; F765-L791 HydrophobicContact CE2-CG 4.5Å; F765-L791 HydrophobicContact CZ-CD1 4.16Å; F765-N793 VanDerWaalsContact CD2-ND2 3.27Å; F765-N793 WeakPolarHBondContact CD2-ND2 3.38Å; F765-N793 WeakPolarHBondContact CE2-ND2 3.39Å; F765-I814 HydrophobicContact CE1-CD1 3.71Å; F765-I814 HydrophobicContact CE2-CD1 4.44Å; F765-I814 HydrophobicContact CZ-CD1 3.43Å; F765-I814 VanDerWaalsContact CZ-CD1 3.43Å
766	N	47.7	Very low	49.5	Very low	75 Å²	75	106.8 Å²	106.8	40%	0.401	52%	0.523	S	S	.	.			trans	-73.4	127.3	-170.9	-146.6	-73.5	0	0	0	111.1	N768 V769 D783	N766-N768 PolarHBondContact O-N 2.78Å; N766-N768 VanDerWaalsContact O-N 3.14Å; N766-N768 PolarHBondContact OD1-N 2.8Å; N766-N768 PolarHBondContact OD1-ND2 3.15Å; N766-V769 WeakPolarHBondContact O-CG2 3.5Å; N766-D783 WeakPolarHBondContact CA-OD2 3.36Å; N766-D783 WeakPolarHBondContact CB-OD2 3.38Å; N766-D783 PolarHBondContact N-OD2 3.48Å; N766-D783 PolarHBondContact ND2-OD1 3.48Å; N766-D783 PolarHBondContact ND2-OD2 2.56Å
767	E	48.3	Very low	48.2	Very low	169 Å²	169	103.9 Å²	103.9	79%	0.79	52%	0.515	S	S	*	.	S	Bend	trans	-65.2	-16.3	179.9	-64.2	-176	124.8	0	0	113.1	F765 V769	F765-E767 PolarHBondContact O-N 2.78Å; E767-V769 PolarHBondContact O-N 2.81Å
768	N	43	Very low	47.3	Very low	117 Å²	117	102.1 Å²	102.1	63%	0.626	51%	0.506	S	S	*	.			trans	-98.1	47.7	-170.3	-59.3	-78.5	0	0	0	114.4	N766 E770	N766-N768 PolarHBondContact O-N 2.78Å; N766-N768 VanDerWaalsContact O-N 3.14Å; N766-N768 PolarHBondContact OD1-N 2.8Å; N766-N768 PolarHBondContact OD1-ND2 3.15Å; N768-E770 PolarHBondContact O-N 2.81Å
769	V	50.4	Low	46.7	Very low	61 Å²	61	104.4 Å²	104.4	37%	0.37	52%	0.515	S	S	.	.			trans	-67.1	-14.9	177.1	-174.7	0	0	0	0	112.6	N766 E767 S771 T778	N766-V769 WeakPolarHBondContact O-CG2 3.5Å; E767-V769 PolarHBondContact O-N 2.81Å; V769-S771 PolarHBondContact O-N 3.44Å; V769-T778 HydrophobicContact CG1-CG2 3.61Å
770	E	43.7	Very low	46.6	Very low	151 Å²	151	102.9 Å²	102.9	71%	0.706	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	12.6	-170.8	-61.1	-171.7	145.9	0	0	117.2	N768	N768-E770 PolarHBondContact O-N 2.81Å
771	S	37.5	Very low	46.7	Very low	93 Å²	93	96.3 Å²	96.3	65%	0.65	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-11.1	-161.9	67.3	0	0	0	0	120.5	V769	V769-S771 PolarHBondContact O-N 3.44Å
772	Q	36.7	Very low	46.7	Very low	177 Å²	177	94.5 Å²	94.5	83%	0.827	47%	0.467	S	S	*	.			trans	-137.7	34	-176.3	-65.9	-161.6	36.4	0	0	116.8	R774	Q772-R774 PolarHBondContact O-N 2.87Å
773	L	38.5	Very low	46.9	Very low	86 Å²	86	89.7 Å²	89.7	45%	0.45	44%	0.441	S	S	.	.			trans	-67.9	95.2	168.7	-76.8	168.5	0	0	0	111.4
774	R	40.2	Very low	46.5	Very low	231 Å²	231	89.4 Å²	89.4	87%	0.872	44%	0.437	S	S	*	.	S	Bend	trans	-105	-8.9	172.7	-98	-169.2	-179.9	-156.5	0.5	115.5	Q772	Q772-R774 PolarHBondContact O-N 2.87Å
775	N	45.3	Very low	46.3	Very low	127 Å²	127	92.3 Å²	92.3	68%	0.679	45%	0.453	S	S	*	.	S	Bend	trans	-152.6	25.6	-175.5	-74.7	-58.5	0	0	0	114	T777	N775-T777 PolarHBondContact O-N 2.93Å; N775-T777 VanDerWaalsContact O-N 3.14Å
776	N	45.7	Very low	46	Very low	81 Å²	81	92.3 Å²	92.3	43%	0.433	45%	0.453	S	S	.	.	S	Bend	trans	53.7	27.5	-171.6	-64.7	28.5	0	0	0	114.4
777	T	45.7	Very low	46	Very low	51 Å²	51	92.4 Å²	92.4	31%	0.313	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.5	174.8	48.9	0	0	0	0	110.6	L740 N775	L740-T777 CarbonylContact O-C 3.58Å; L740-T777 WeakPolarHBondContact O-CA 3.06Å; N775-T777 PolarHBondContact O-N 2.93Å; N775-T777 VanDerWaalsContact O-N 3.14Å
778	T	49.2	Very low	45.9	Very low	12 Å²	12	87.6 Å²	87.6	7%	0.074	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.5	175.2	-61.8	0	0	0	0	109.5	D739 L740 L755 V769	D739-T778 WeakPolarHBondContact CA-O 3.47Å; L740-T778 PolarHBondContact N-O 2.78Å; L740-T778 PolarHBondContact O-N 3.24Å; L755-T778 WeakPolarHBondContact CD1-OG1 3.48Å; V769-T778 HydrophobicContact CG1-CG2 3.61Å
779	Q	51	Low	46.2	Very low	118 Å²	118	89 Å²	89	55%	0.551	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	123.9	175.3	-66.9	-172.1	-27.9	0	0	109.9	I781	Q779-I781 HydrophobicContact CB-CD1 4.04Å; Q779-I781 HydrophobicContact CB-CG1 4.05Å
780	L	53.8	Low	46.3	Very low	15 Å²	15	91.4 Å²	91.4	8%	0.079	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.2	168.8	-70.3	171.8	0	0	0	109.1	F725 I737 G738 M795 I812	F725-L780 HydrophobicContact CD2-CD1 3.94Å; F725-L780 HydrophobicContact CE2-CD1 3.68Å; F725-L780 HydrophobicContact CZ-CD1 4.05Å; I737-L780 HydrophobicContact CB-CB 3.82Å; I737-L780 WeakPolarHBondContact CB-O 3.44Å; I737-L780 HydrophobicContact CD1-CB 4.19Å; I737-L780 HydrophobicContact CG2-CB 4.28Å; I737-L780 PolarHBondContact N-O 2.95Å; G738-L780 PolarHBondContact O-N 2.9Å; L780-M795 HydrophobicContact CD2-SD 4.46Å; L780-I812 HydrophobicContact CD1-CD1 4.14Å; L780-I812 HydrophobicContact CD1-CG2 4.23Å
781	I	52.7	Low	46.9	Very low	54 Å²	54	84.7 Å²	84.7	28%	0.277	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.2	-168.4	-60.2	-178.4	0	0	0	109.8	N734 T735 F765 Q779	N734-I781 HydrophobicContact CB-CG2 4.13Å; T735-I781 WeakPolarHBondContact O-CA 3.3Å; F765-I781 WeakPolarHBondContact CD1-O 3.35Å; Q779-I781 HydrophobicContact CB-CD1 4.04Å; Q779-I781 HydrophobicContact CB-CG1 4.05Å
782	T	50.5	Low	47.7	Very low	3 Å²	3	85.1 Å²	85.1	2%	0.018	41%	0.406	C	S	.	.			trans	-84	132.8	176.9	52.1	0	0	0	0	113	I727 P732 N734 T735 I737 L786	I727-T782 HydrophobicContact CD1-CG2 3.91Å; P732-T782 PolarHBondContact O-OG1 3.2Å; N734-T782 PolarHBondContact N-O 3.27Å; T735-T782 PolarHBondContact N-OG1 2.86Å; T735-T782 PolarHBondContact O-N 2.95Å; I737-T782 HydrophobicContact CD1-CG2 3.78Å; I737-T782 HydrophobicContact CG1-CG2 4.19Å; T782-L786 HydrophobicContact CG2-CD1 3.82Å
783	D	48.5	Very low	48.9	Very low	41 Å²	41	77.1 Å²	77.1	22%	0.219	37%	0.369	C	S	.	.	S	Bend	trans	-87.7	-22	173.3	-79.8	-33.3	0	0	0	113.8	S733 W764 N766	S733-D783 WeakPolarHBondContact CB-O 3.26Å; W764-D783 PolarHBondContact O-N 2.97Å; N766-D783 WeakPolarHBondContact CA-OD2 3.36Å; N766-D783 WeakPolarHBondContact CB-OD2 3.38Å; N766-D783 PolarHBondContact N-OD2 3.48Å; N766-D783 PolarHBondContact ND2-OD1 3.48Å; N766-D783 PolarHBondContact ND2-OD2 2.56Å
784	Y	47.8	Very low	50.2	Low	148 Å²	148	73.6 Å²	73.6	58%	0.58	35%	0.353	S	S	*	.	S	Bend	trans	-139.2	162.7	-171.9	-64.2	-88.3	0	0	0	112.9	K763 L786	K763-Y784 WeakPolarHBondContact O-CD2 3.33Å; K763-Y784 VanDerWaalsContact O-CE2 3.31Å; K763-Y784 WeakPolarHBondContact O-CE2 3.42Å; Y784-L786 PolarHBondContact O-N 2.95Å
785	H	46	Very low	51.9	Low	112 Å²	112	62.9 Å²	62.9	52%	0.519	31%	0.313	S	S	.	.			trans	-58.4	125.8	158.2	-86.7	-108.7	0	0	0	108.6	N730 P787	N730-H785 PolarHBondContact O-CE1 2.85Å; N730-H785 PolarHBondContact OD1-ND1 2.97Å; H785-P787 WeakPolarHBondContact O-CD 3.18Å
786	L	44	Very low	53.6	Low	17 Å²	17	58.5 Å²	58.5	9%	0.089	29%	0.289	C	S	.	.			trans	-104.2	108.7	-177.2	-62.4	174.4	0	0	0	110.7	W764 T782 Y784 I816	W764-L786 HydrophobicContact CB-CD2 4.05Å; W764-L786 HydrophobicContact CD2-CD2 4.4Å; W764-L786 HydrophobicContact CG-CD2 3.66Å; T782-L786 HydrophobicContact CG2-CD1 3.82Å; Y784-L786 PolarHBondContact O-N 2.95Å; L786-I816 HydrophobicContact CB-CD1 3.47Å; L786-I816 VanDerWaalsContact CB-CD1 3.47Å; L786-I816 HydrophobicContact CD1-CD1 4.18Å; L786-I816 HydrophobicContact CG-CD1 4.44Å
787	P	47.4	Very low	55.5	Low	76 Å²	76	54.7 Å²	54.7	49%	0.494	27%	0.268	S	S	.	.			trans	-78.6	125.5	165.6	30.8	-31.7	0	0	0	110.5	H785 Y789	H785-P787 WeakPolarHBondContact O-CD 3.18Å; P787-Y789 WeakPolarHBondContact O-CD2 3.29Å; P787-Y789 PolarHBondContact O-N 2.9Å
788	F	46	Very low	57.6	Low	68 Å²	68	53.5 Å²	53.5	30%	0.298	26%	0.262	S	S	.	.	S	Bend	trans	33.5	66.8	155	-74.7	-94.5	0	0	0	119.3	E729 D818 E891	E729-F788 WeakPolarHBondContact OE2-CE2 3.45Å; F788-D818 HydrophobicContact CE1-CB 3.77Å; F788-D818 HydrophobicContact CZ-CB 3.77Å; F788-E891 HydrophobicContact CD1-CG 4.31Å; F788-E891 HydrophobicContact CE1-CB 4.09Å; F788-E891 HydrophobicContact CE1-CG 3.72Å
789	Y	50.3	Low	59.5	Low	147 Å²	147	53.1 Å²	53.1	58%	0.576	26%	0.26	S	S	*	.			trans	-143.6	144.4	162.4	-69.9	-67.6	0	0	0	113.4	W764 P787 I816	W764-Y789 HydrophobicContact CH2-CD2 4.02Å; W764-Y789 HydrophobicContact CH2-CG 4.41Å; W764-Y789 HydrophobicContact CZ2-CD2 4.05Å; P787-Y789 WeakPolarHBondContact O-CD2 3.29Å; P787-Y789 PolarHBondContact O-N 2.9Å; Y789-I816 WeakPolarHBondContact O-CD1 3.12Å
790	I	51.4	Low	61.3	Low	112 Å²	112	50.2 Å²	50.2	57%	0.574	25%	0.248	S	C	*	.			trans	-81.4	122.9	162.9	-62.9	175.1	0	0	0	107.9
791	L	55.8	Low	62.7	Low	10 Å²	10	49.8 Å²	49.8	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	101.3	-178	-94.8	156.4	0	0	0	111	W764 F765 I812 C813 I814	W764-L791 HydrophobicContact CB-CD1 4.36Å; W764-L791 HydrophobicContact CD2-CD1 4.13Å; W764-L791 HydrophobicContact CE3-CD1 3.88Å; W764-L791 HydrophobicContact CE3-CD2 3.56Å; W764-L791 HydrophobicContact CE3-CG 4.15Å; W764-L791 HydrophobicContact CG-CD1 4.4Å; W764-L791 HydrophobicContact CZ3-CD1 4.39Å; W764-L791 HydrophobicContact CZ3-CD2 3.78Å; W764-L791 HydrophobicContact CZ3-CG 4.32Å; F765-L791 HydrophobicContact CE2-CD1 3.89Å; F765-L791 HydrophobicContact CE2-CD2 4.27Å; F765-L791 HydrophobicContact CE2-CG 4.5Å; F765-L791 HydrophobicContact CZ-CD1 4.16Å; L791-I812 VanDerWaalsContact O-O 3.06Å; L791-C813 WeakPolarHBondContact O-CA 3.12Å; L791-I814 HydrophobicContact CB-CB 4.14Å; L791-I814 PolarHBondContact N-O 3.09Å; L791-I814 PolarHBondContact O-N 3.46Å
792	N	55.4	Low	63.8	Low	102 Å²	102	54.9 Å²	54.9	55%	0.545	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	85.1	169.7	-72.2	-21.4	0	0	0	109.1	T811 I812	N792-T811 HydrophobicContact CB-CG2 4.33Å; N792-I812 WeakPolarHBondContact CA-O 3.28Å
793	N	62	Low	65.1	Low	9 Å²	9	62.7 Å²	62.7	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.1	175.6	-74.3	-15.5	0	0	0	110.1	L757 F765 I812	L757-N793 HydrophobicContact CD1-CB 3.8Å; F765-N793 VanDerWaalsContact CD2-ND2 3.27Å; F765-N793 WeakPolarHBondContact CD2-ND2 3.38Å; F765-N793 WeakPolarHBondContact CE2-ND2 3.39Å; N793-I812 PolarHBondContact N-O 2.81Å; N793-I812 VanDerWaalsContact N-O 3.09Å; N793-I812 PolarHBondContact O-N 3.36Å
794	G	65.9	Low	66.7	Low	11 Å²	11	66 Å²	66	11%	0.113	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.2	166.6	0	0	0	0	0	110.1	L758 D810	L758-G794 WeakPolarHBondContact CB-O 3.12Å; L758-G794 PolarHBondContact N-O 3.34Å; G794-D810 WeakPolarHBondContact CA-O 3.42Å
795	M	74.4	Confident	68.7	Low	7 Å²	7	63 Å²	63	3%	0.034	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.6	165	-77.4	-169.9	64.7	0	0	109.2	F719 L740 L755 K756 L757 L780 I809 D810 I812	F719-M795 HydrophobicContact CE1-CB 4.24Å; F719-M795 HydrophobicContact CZ-CB 4.31Å; L740-M795 HydrophobicContact CD2-CE 3.62Å; L740-M795 HydrophobicContact CD2-SD 3.59Å; L740-M795 VanDerWaalsContact CD2-SD 3.59Å; L755-M795 HydrophobicContact CB-CE 4.3Å; L755-M795 HydrophobicContact CD2-CE 4.27Å; K756-M795 WeakPolarHBondContact O-CA 3.47Å; L757-M795 HydrophobicContact CD1-CG 3.54Å; L757-M795 HydrophobicContact CD1-SD 4.16Å; L780-M795 HydrophobicContact CD2-SD 4.46Å; M795-I809 WeakPolarHBondContact O-CA 3.43Å; M795-D810 PolarHBondContact N-O 2.78Å; M795-D810 PolarHBondContact O-N 2.7Å; M795-I812 HydrophobicContact CG-CD1 4.32Å; M795-I812 HydrophobicContact SD-CD1 3.53Å; M795-I812 VanDerWaalsContact SD-CD1 3.53Å
796	I	82.8	Confident	70.8	Confident	35 Å²	35	60.1 Å²	60.1	18%	0.179	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.6	170.8	-173	168.6	0	0	0	109	K756 L758 T808 I809	K756-I796 HydrophobicContact CB-CG2 3.77Å; K756-I796 PolarHBondContact N-O 2.88Å; K756-I796 PolarHBondContact O-N 3.38Å; L758-I796 HydrophobicContact CD1-CB 4.32Å; L758-I796 HydrophobicContact CD2-CG2 4.36Å; L758-I796 HydrophobicContact CG-CG2 4.34Å; I796-T808 WeakPolarHBondContact CA-O 3.49Å; I796-I809 HydrophobicContact CB-CG1 4.07Å; I796-I809 HydrophobicContact CD1-CD1 4.27Å; I796-I809 HydrophobicContact CD1-CG1 4.08Å; I796-I809 HydrophobicContact CG1-CG1 3.9Å
797	A	85.1	Confident	72.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.6	163.8	0	0	0	0	0	108.4	P717 F719 V742 I753 T754 L755 S807 T808	P717-A797 HydrophobicContact CB-CB 3.75Å; P717-A797 HydrophobicContact CG-CB 4.35Å; F719-A797 HydrophobicContact CE1-CB 4.4Å; F719-A797 HydrophobicContact CE2-CB 3.82Å; F719-A797 HydrophobicContact CZ-CB 3.63Å; V742-A797 HydrophobicContact CG1-CB 3.9Å; I753-A797 HydrophobicContact CG2-CB 4.14Å; T754-A797 WeakPolarHBondContact O-CA 3.45Å; L755-A797 HydrophobicContact CD2-CB 3.66Å; A797-S807 CarbonylContact O-C 3.34Å; A797-S807 WeakPolarHBondContact O-CA 3.21Å; A797-S807 VanDerWaalsContact O-CB 3.28Å; A797-S807 WeakPolarHBondContact O-CB 3.3Å; A797-T808 PolarHBondContact N-O 3.49Å; A797-T808 PolarHBondContact O-N 3.5Å
798	S	89.1	Confident	74.8	Confident	27 Å²	27	60.8 Å²	60.8	19%	0.189	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.4	175.2	-58.2	0	0	0	0	109.4	I753 T754 Y806 S807	I753-S798 CarbonylContact C-O 3.46Å; I753-S798 WeakPolarHBondContact CA-O 3.2Å; T754-S798 PolarHBondContact N-O 2.76Å; T754-S798 PolarHBondContact O-N 3.28Å; S798-Y806 WeakPolarHBondContact CA-O 3.36Å; S798-S807 WeakPolarHBondContact OG-CB 3.08Å
799	D	89.9	Confident	76.6	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.016	32%	0.324	C	S	.	.			trans	-75.6	178.4	165.3	67.6	67.6	0	0	0	111.4	N713 P717 N750 E752 G801 V805 Y806	N713-D799 PolarHBondContact ND2-OD1 3.05Å; N713-D799 PolarHBondContact ND2-OD2 3.11Å; N713-D799 VanDerWaalsContact ND2-OD2 3.09Å; P717-D799 HydrophobicContact CG-CB 4.47Å; N750-D799 VanDerWaalsContact O-CB 3.28Å; N750-D799 WeakPolarHBondContact O-CB 3.23Å; E752-D799 CarbonylContact O-C 3.57Å; D799-G801 WeakPolarHBondContact OD1-CA 3.48Å; D799-G801 PolarHBondContact OD1-N 2.98Å; D799-V805 WeakPolarHBondContact O-CG1 3.21Å; D799-V805 WeakPolarHBondContact OD1-CA 3.39Å; D799-Y806 PolarHBondContact N-O 2.77Å; D799-Y806 WeakPolarHBondContact OD2-CA 3.4Å; D799-Y806 WeakPolarHBondContact OD2-CB 3.31Å; D799-Y806 PolarHBondContact OD2-N 2.85Å
800	N	87.7	Confident	78	Confident	58 Å²	58	57.6 Å²	57.6	31%	0.31	31%	0.306	S	S	.	.			trans	-114.4	27.3	176.3	-67.2	-17.8	0	0	0	112.3	L749 E752 T754	L749-N800 CarbonylContact O-C 3.55Å; L749-N800 VanDerWaalsContact O-C 3.31Å; L749-N800 WeakPolarHBondContact O-CA 3.35Å; L749-N800 PolarHBondContact O-N 2.94Å; L749-N800 VanDerWaalsContact O-N 3.08Å; E752-N800 HydrophobicContact CB-CB 4.27Å; E752-N800 WeakPolarHBondContact CG-ND2 3.39Å; E752-N800 PolarHBondContact O-N 3.49Å; E752-N800 PolarHBondContact O-ND2 3.28Å; E752-N800 PolarHBondContact OE2-ND2 2.88Å; T754-N800 PolarHBondContact OG1-OD1 3.49Å
801	G	83	Confident	79.1	Confident	6 Å²	6	56 Å²	56	6%	0.062	30%	0.302	C	S	.	.			trans	-62.9	141.9	-174.6	0	0	0	0	0	114.5	L749 N750 D799 K804 V805	L749-G801 PolarHBondContact O-N 2.92Å; N750-G801 VanDerWaalsContact OD1-CA 3.23Å; N750-G801 WeakPolarHBondContact OD1-CA 3.45Å; D799-G801 WeakPolarHBondContact OD1-CA 3.48Å; D799-G801 PolarHBondContact OD1-N 2.98Å; G801-K804 CarbonylContact C-O 3.52Å; G801-K804 WeakPolarHBondContact CA-O 3.49Å; G801-V805 WeakPolarHBondContact O-CG2 3.42Å
802	Q	77.5	Confident	79.8	Confident	160 Å²	160	55.9 Å²	55.9	75%	0.748	30%	0.301	S	S	*	.	S	Bend	trans	-80.2	-45.5	-166.3	-65.6	-168.8	-6.5	0	0	114.6	L749	L749-Q802 HydrophobicContact CD1-CG 3.94Å
803	D	76.5	Confident	80.4	Confident	167 Å²	167	52.6 Å²	52.6	89%	0.893	29%	0.286	S	S	*	.	S	Bend	trans	-85.1	-29	-179.6	-76.5	-27.4	0	0	0	112.3
804	K	82.5	Confident	80.8	Confident	112 Å²	112	52.4 Å²	52.4	49%	0.487	29%	0.285	S	S	.	.			trans	-153.3	143	-175.9	-172.9	177.3	178.7	-172.2	0	108.1	N713 G801 Y806	N713-K804 PolarHBondContact ND2-O 2.81Å; G801-K804 CarbonylContact C-O 3.52Å; G801-K804 WeakPolarHBondContact CA-O 3.49Å; K804-Y806 HydrophobicContact CD-CE1 4.38Å; K804-Y806 HydrophobicContact CD-CE2 3.73Å; K804-Y806 WeakPolarHBondContact CD-OH 3.24Å; K804-Y806 VanDerWaalsContact CE-OH 3.3Å; K804-Y806 WeakPolarHBondContact CE-OH 3.46Å; K804-Y806 HydrophobicContact CG-CD2 4.45Å; K804-Y806 HydrophobicContact CG-CE2 3.97Å; K804-Y806 PolarHBondContact NZ-OH 2.87Å
805	V	89	Confident	81	Confident	83 Å²	83	59.1 Å²	59.1	50%	0.503	31%	0.307	S	S	.	.			trans	-121.8	135.1	173	174.4	0	0	0	0	108.2	D799 G801	D799-V805 WeakPolarHBondContact O-CG1 3.21Å; D799-V805 WeakPolarHBondContact OD1-CA 3.39Å; G801-V805 WeakPolarHBondContact O-CG2 3.42Å
806	Y	90.1	Very high	80.8	Confident	53 Å²	53	59.9 Å²	59.9	21%	0.208	31%	0.311	C	S	.	.			trans	-105.8	160.1	168.5	-58.7	-106.9	0	0	0	110.1	N713 D714 N715 A716 S798 D799 K804	N713-Y806 HydrophobicContact CB-CE2 4.11Å; N713-Y806 VanDerWaalsContact CG-CE2 3.46Å; N713-Y806 VanDerWaalsContact O-CE2 3.23Å; N713-Y806 WeakPolarHBondContact O-CE2 3.17Å; N713-Y806 PolarHBondContact O-OH 2.91Å; N713-Y806 WeakPolarHBondContact OD1-CD2 3.08Å; N713-Y806 WeakPolarHBondContact OD1-CE2 3.47Å; D714-Y806 WeakPolarHBondContact CA-OH 3.46Å; N715-Y806 VanDerWaalsContact O-CD2 3.27Å; N715-Y806 WeakPolarHBondContact O-CD2 2.97Å; A716-Y806 HydrophobicContact CB-CD1 4.28Å; A716-Y806 HydrophobicContact CB-CG 4.15Å; S798-Y806 WeakPolarHBondContact CA-O 3.36Å; D799-Y806 PolarHBondContact N-O 2.77Å; D799-Y806 WeakPolarHBondContact OD2-CA 3.4Å; D799-Y806 WeakPolarHBondContact OD2-CB 3.31Å; D799-Y806 PolarHBondContact OD2-N 2.85Å; K804-Y806 HydrophobicContact CD-CE1 4.38Å; K804-Y806 HydrophobicContact CD-CE2 3.73Å; K804-Y806 WeakPolarHBondContact CD-OH 3.24Å; K804-Y806 VanDerWaalsContact CE-OH 3.3Å; K804-Y806 WeakPolarHBondContact CE-OH 3.46Å; K804-Y806 HydrophobicContact CG-CD2 4.45Å; K804-Y806 HydrophobicContact CG-CE2 3.97Å; K804-Y806 PolarHBondContact NZ-OH 2.87Å
807	S	89	Confident	80.4	Confident	64 Å²	64	61.5 Å²	61.5	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	139.1	179.3	64.7	0	0	0	0	110.8	A797 S798	A797-S807 CarbonylContact O-C 3.34Å; A797-S807 WeakPolarHBondContact O-CA 3.21Å; A797-S807 VanDerWaalsContact O-CB 3.28Å; A797-S807 WeakPolarHBondContact O-CB 3.3Å; S798-S807 WeakPolarHBondContact OG-CB 3.08Å
808	T	86.7	Confident	80	Confident	42 Å²	42	63.8 Å²	63.8	26%	0.258	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.8	172.3	60.7	0	0	0	0	110.2	A716 P717 F719 I796 A797	A716-T808 HydrophobicContact CB-CG2 4.06Å; P717-T808 VanDerWaalsContact O-CB 3.31Å; P717-T808 WeakPolarHBondContact O-CB 3.38Å; P717-T808 WeakPolarHBondContact O-CG2 3.07Å; P717-T808 PolarHBondContact O-OG1 3.17Å; F719-T808 VanDerWaalsContact CE2-OG1 3.29Å; F719-T808 WeakPolarHBondContact CE2-OG1 3.15Å; I796-T808 WeakPolarHBondContact CA-O 3.49Å; A797-T808 PolarHBondContact N-O 3.49Å; A797-T808 PolarHBondContact O-N 3.5Å
809	I	84.8	Confident	79.6	Confident	111 Å²	111	65.7 Å²	65.7	57%	0.569	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.4	179.7	-56.3	175.8	0	0	0	107.8	L758 M795 I796	L758-I809 HydrophobicContact CD1-CD1 4.32Å; L758-I809 HydrophobicContact CD1-CG2 3.87Å; M795-I809 WeakPolarHBondContact O-CA 3.43Å; I796-I809 HydrophobicContact CB-CG1 4.07Å; I796-I809 HydrophobicContact CD1-CD1 4.27Å; I796-I809 HydrophobicContact CD1-CG1 4.08Å; I796-I809 HydrophobicContact CG1-CG1 3.9Å
810	D	78.7	Confident	79.3	Confident	37 Å²	37	66.1 Å²	66.1	20%	0.198	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	163.6	172.9	-153.1	-26.5	0	0	0	109.5	F719 R723 G794 M795	F719-D810 HydrophobicContact CB-CB 4.31Å; F719-D810 HydrophobicContact CD1-CB 4.22Å; F719-D810 HydrophobicContact CD2-CB 3.63Å; F719-D810 HydrophobicContact CE1-CB 4.43Å; F719-D810 HydrophobicContact CE2-CB 3.86Å; F719-D810 HydrophobicContact CG-CB 3.81Å; F719-D810 HydrophobicContact CZ-CB 4.25Å; R723-D810 IonicContact CZ-OD2 3.43Å; R723-D810 IonicContact NE-OD1 3.95Å; R723-D810 IonicContact NE-OD2 3.56Å; R723-D810 PolarHBondContact NE-OD2 3.25Å; R723-D810 IonicContact NH2-OD2 2.7Å; R723-D810 PolarHBondContact NH2-OD2 3.29Å; G794-D810 WeakPolarHBondContact CA-O 3.42Å; M795-D810 PolarHBondContact N-O 2.78Å; M795-D810 PolarHBondContact O-N 2.7Å
811	T	75.7	Confident	78.9	Confident	80 Å²	80	67.5 Å²	67.5	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122	-177.5	-49.6	0	0	0	0	110.3	N792	N792-T811 HydrophobicContact CB-CG2 4.33Å
812	I	70.6	Confident	78.6	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.9	176.6	-57.8	-173.7	0	0	0	109.1	F725 L740 L780 L791 N792 N793 M795 I814	F725-I812 HydrophobicContact CD2-CG2 3.58Å; F725-I812 HydrophobicContact CE2-CG2 3.62Å; L740-I812 HydrophobicContact CD1-CD1 3.84Å; L740-I812 HydrophobicContact CD2-CD1 3.72Å; L740-I812 HydrophobicContact CG-CD1 4.3Å; L780-I812 HydrophobicContact CD1-CD1 4.14Å; L780-I812 HydrophobicContact CD1-CG2 4.23Å; L791-I812 VanDerWaalsContact O-O 3.06Å; N792-I812 WeakPolarHBondContact CA-O 3.28Å; N793-I812 PolarHBondContact N-O 2.81Å; N793-I812 VanDerWaalsContact N-O 3.09Å; N793-I812 PolarHBondContact O-N 3.36Å; M795-I812 HydrophobicContact CG-CD1 4.32Å; M795-I812 HydrophobicContact SD-CD1 3.53Å; M795-I812 VanDerWaalsContact SD-CD1 3.53Å; I812-I814 HydrophobicContact CG2-CG1 4.17Å
813	C	67.8	Low	78.8	Confident	34 Å²	34	67.1 Å²	67.1	23%	0.23	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.7	173.2	175.8	0	0	0	0	109.8	R723 Q724 F725 L791	R723-C813 PolarHBondContact O-N 2.89Å; Q724-C813 WeakPolarHBondContact CA-O 3.27Å; Q724-C813 HydrophobicContact CG-CB 4.39Å; F725-C813 PolarHBondContact N-O 2.92Å; L791-C813 WeakPolarHBondContact O-CA 3.12Å
814	I	70.5	Confident	79.2	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121	172.9	-62.8	165.4	0	0	0	107.9	F725 I727 I737 F765 L791 I812	F725-I814 HydrophobicContact CB-CG1 4.42Å; F725-I814 WeakPolarHBondContact O-CA 3.46Å; I727-I814 HydrophobicContact CG2-CG2 4.35Å; I737-I814 HydrophobicContact CD1-CD1 4.2Å; I737-I814 HydrophobicContact CG2-CG1 4.45Å; F765-I814 HydrophobicContact CE1-CD1 3.71Å; F765-I814 HydrophobicContact CE2-CD1 4.44Å; F765-I814 HydrophobicContact CZ-CD1 3.43Å; F765-I814 VanDerWaalsContact CZ-CD1 3.43Å; L791-I814 HydrophobicContact CB-CB 4.14Å; L791-I814 PolarHBondContact N-O 3.09Å; L791-I814 PolarHBondContact O-N 3.46Å; I812-I814 HydrophobicContact CG2-CG1 4.17Å
815	R	68.9	Low	79.1	Confident	152 Å²	152	57.6 Å²	57.6	57%	0.574	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	129.3	179.5	179.1	176.1	-178.6	176.7	2.4	110.7	F725 A726 I727 L817	F725-R815 PolarHBondContact O-N 3.44Å; A726-R815 VanDerWaalsContact CA-O 3.29Å; A726-R815 WeakPolarHBondContact CA-O 3.36Å; I727-R815 PolarHBondContact N-O 3.39Å; R815-L817 HydrophobicContact CG-CD2 4.35Å
816	I	71.4	Confident	78.6	Confident	23 Å²	23	57.9 Å²	57.9	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	146.5	169.8	-55.6	177.9	0	0	0	109.3	I727 E729 L786 Y789	I727-I816 HydrophobicContact CG2-CG1 4.34Å; I727-I816 CarbonylContact O-C 3.41Å; I727-I816 VanDerWaalsContact O-CA 3.28Å; I727-I816 WeakPolarHBondContact O-CA 3.39Å; E729-I816 HydrophobicContact CB-CG2 3.71Å; L786-I816 HydrophobicContact CB-CD1 3.47Å; L786-I816 VanDerWaalsContact CB-CD1 3.47Å; L786-I816 HydrophobicContact CD1-CD1 4.18Å; L786-I816 HydrophobicContact CG-CD1 4.44Å; Y789-I816 WeakPolarHBondContact O-CD1 3.12Å
817	L	74.3	Confident	77.9	Confident	69 Å²	69	59.1 Å²	59.1	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.9	174.8	-51.5	175.7	0	0	0	110.2	A726 I727 E728 E729 R815	A726-L817 HydrophobicContact CB-CD1 4.49Å; I727-L817 PolarHBondContact O-N 2.9Å; E728-L817 HydrophobicContact CG-CD1 4.45Å; E729-L817 PolarHBondContact N-O 2.9Å; R815-L817 HydrophobicContact CG-CD2 4.35Å
818	D	75.8	Confident	76.8	Confident	47 Å²	47	57 Å²	57	25%	0.251	29%	0.287	S	S	.	.			trans	-67.9	141.4	177.9	153.7	59.5	0	0	0	112.7	F788 E891 N894	F788-D818 HydrophobicContact CE1-CB 3.77Å; F788-D818 HydrophobicContact CZ-CB 3.77Å; D818-E891 HydrophobicContact CB-CB 4.38Å; D818-E891 PolarHBondContact OD1-N 3.12Å; D818-N894 VanDerWaalsContact CG-ND2 3.26Å; D818-N894 PolarHBondContact OD1-ND2 3.4Å; D818-N894 PolarHBondContact OD2-ND2 2.75Å
819	L	80.9	Confident	76.1	Confident	68 Å²	68	56.9 Å²	56.9	36%	0.356	29%	0.285	S	S	.	.			trans	-127.7	142.9	179.1	-61.4	174.1	0	0	0	109.4	E729 D821	E729-L819 HydrophobicContact CG-CB 4.3Å; E729-L819 HydrophobicContact CG-CD1 3.95Å; E729-L819 HydrophobicContact CG-CG 4.02Å; E729-L819 PolarHBondContact OE1-N 2.79Å; L819-D821 VanDerWaalsContact C-N 3.26Å; L819-D821 PolarHBondContact O-N 2.9Å
820	N	83.4	Confident	75.3	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.064	28%	0.276	C	S	.	.	S	Bend	trans	-75.4	74.9	179.9	-162	108	0	0	0	111.6	D890 N894 D948 G950 P952 I954	N820-D890 VanDerWaalsContact CA-OD2 3.26Å; N820-D890 WeakPolarHBondContact CA-OD2 3.42Å; N820-N894 HydrophobicContact CB-CB 4.02Å; N820-N894 PolarHBondContact N-ND2 3.39Å; N820-N894 WeakPolarHBondContact OD1-CA 3.5Å; N820-N894 WeakPolarHBondContact OD1-CB 3.33Å; N820-N894 PolarHBondContact OD1-O 3.48Å; N820-D948 PolarHBondContact ND2-OD2 3Å; N820-G950 VanDerWaalsContact OD1-CA 3.26Å; N820-G950 WeakPolarHBondContact OD1-CA 3.4Å; N820-P952 PolarHBondContact ND2-O 3.49Å; N820-P952 VanDerWaalsContact ND2-O 3.12Å; N820-I954 WeakPolarHBondContact ND2-CD1 2.96Å
821	D	79.6	Confident	74.4	Confident	87 Å²	87	55.5 Å²	55.5	47%	0.465	29%	0.285	S	S	.	.			trans	-107.5	-14.6	-175.6	102.5	-8	0	0	0	114.6	N730 L819 D890	N730-D821 PolarHBondContact ND2-OD2 3.21Å; L819-D821 VanDerWaalsContact C-N 3.26Å; L819-D821 PolarHBondContact O-N 2.9Å; D821-D890 PolarHBondContact N-OD2 2.88Å
822	N	77.8	Confident	73.2	Confident	50 Å²	50	56.8 Å²	56.8	27%	0.267	29%	0.285	S	S	.	.			trans	-92.7	175.7	175.1	-66.4	-83.4	0	0	0	112.7	L889 D890 I954	N822-L889 HydrophobicContact CB-CB 3.82Å; N822-D890 WeakPolarHBondContact CB-OD1 3.36Å; N822-D890 PolarHBondContact N-OD1 3.46Å; N822-D890 PolarHBondContact N-OD2 2.91Å; N822-D890 PolarHBondContact ND2-OD1 3.46Å; N822-I954 WeakPolarHBondContact O-CD1 3.49Å
823	K	80.1	Confident	72	Confident	108 Å²	108	60.9 Å²	60.9	47%	0.47	30%	0.301	S	S	.	.			trans	-134.2	139.8	-171.6	166.4	160.2	174.7	147.1	0	109.5	Y825 D888 I954 E955	K823-Y825 PolarHBondContact O-N 3.02Å; K823-D888 PolarHBondContact N-OD1 2.92Å; K823-I954 HydrophobicContact CB-CG2 3.78Å; K823-I954 HydrophobicContact CD-CG2 3.83Å; K823-I954 HydrophobicContact CG-CG2 3.73Å; K823-E955 VanDerWaalsContact CE-O 3.25Å; K823-E955 WeakPolarHBondContact CE-O 3.39Å; K823-E955 PolarHBondContact NZ-O 3.45Å
824	P	84.6	Confident	70.5	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.013	33%	0.326	C	S	.	.			trans	-55	131.8	175.3	-23.3	27.5	0	0	0	111.3	F887 D888 L897 V946 D948 L956	P824-F887 CarbonylContact C-O 3.44Å; P824-F887 WeakPolarHBondContact CA-O 3.28Å; P824-D888 VanDerWaalsContact CA-OD2 3.3Å; P824-D888 WeakPolarHBondContact CA-OD2 3.4Å; P824-D888 WeakPolarHBondContact CD-OD2 3.41Å; P824-D888 WeakPolarHBondContact CG-OD2 3.44Å; P824-L897 HydrophobicContact CB-CD2 3.73Å; P824-L897 HydrophobicContact CG-CD2 3.66Å; P824-V946 HydrophobicContact CB-CG1 4.28Å; P824-D948 HydrophobicContact CG-CB 4.31Å; P824-L956 HydrophobicContact CB-CB 4.01Å; P824-L956 WeakPolarHBondContact O-CB 3.33Å; P824-L956 WeakPolarHBondContact O-CD2 3.46Å
825	Y	80.9	Confident	69.2	Low	76 Å²	76	71.4 Å²	71.4	30%	0.298	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.3	174.6	71	-98.3	0	0	0	112.3	K823 I827 A886 F887 L889	K823-Y825 PolarHBondContact O-N 3.02Å; Y825-I827 HydrophobicContact CE2-CG1 4.23Å; Y825-A886 CarbonylContact O-C 3.58Å; Y825-A886 WeakPolarHBondContact O-CA 3.41Å; Y825-A886 VanDerWaalsContact O-CB 3.25Å; Y825-A886 WeakPolarHBondContact O-CB 3.19Å; Y825-F887 WeakPolarHBondContact CD1-O 3.35Å; Y825-F887 HydrophobicContact CE1-CB 4.11Å; Y825-F887 AromaticContact CE1-CD1 3.7Å; Y825-F887 HydrophobicContact CE1-CD1 3.7Å; Y825-F887 HydrophobicContact CE1-CG 4.39Å; Y825-F887 HydrophobicContact CE2-CB 4.14Å; Y825-F887 AromaticContact CZ-CD1 3.69Å; Y825-F887 PolarHBondContact N-O 2.88Å; Y825-F887 PolarHBondContact O-N 3.34Å; Y825-F887 VanDerWaalsContact OH-CD1 3.31Å; Y825-F887 WeakPolarHBondContact OH-CD1 3.34Å; Y825-L889 HydrophobicContact CE1-CD2 4.12Å; Y825-L889 HydrophobicContact CE1-CG 4.2Å
826	F	79.5	Confident	67.9	Low	89 Å²	89	71.6 Å²	71.6	39%	0.39	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.6	-177.7	171.9	-115	0	0	0	111.4	G828 I829 V884 K885 L956 I958	F826-G828 VanDerWaalsContact CE2-C 3.43Å; F826-G828 WeakPolarHBondContact CE2-O 3.14Å; F826-G828 VanDerWaalsContact CZ-CA 3.41Å; F826-I829 HydrophobicContact CE2-CD1 4.33Å; F826-I829 HydrophobicContact CE2-CG1 3.84Å; F826-I829 HydrophobicContact CZ-CD1 4.03Å; F826-I829 HydrophobicContact CZ-CG1 3.8Å; F826-V884 HydrophobicContact CD2-CG1 4.29Å; F826-V884 HydrophobicContact CE2-CG1 4.08Å; F826-K885 WeakPolarHBondContact CD2-O 3.35Å; F826-L956 HydrophobicContact CB-CD2 4.01Å; F826-I958 HydrophobicContact CB-CD1 4.27Å; F826-I958 HydrophobicContact CB-CG1 4.46Å; F826-I958 HydrophobicContact CD2-CD1 3.52Å; F826-I958 HydrophobicContact CD2-CG1 4.39Å; F826-I958 HydrophobicContact CE2-CD1 4.07Å; F826-I958 HydrophobicContact CG-CD1 4.1Å
827	I	74.5	Confident	66.7	Low	79 Å²	79	76.3 Å²	76.3	41%	0.405	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-44.4	175.6	-63.2	164.1	0	0	0	111.1	Y825 K885 F887	Y825-I827 HydrophobicContact CE2-CG1 4.23Å; I827-K885 HydrophobicContact CB-CB 3.98Å; I827-K885 HydrophobicContact CD1-CB 4.3Å; I827-K885 HydrophobicContact CG2-CB 4.46Å; I827-K885 PolarHBondContact N-O 3.35Å; I827-F887 HydrophobicContact CD1-CB 3.79Å; I827-F887 HydrophobicContact CG1-CB 4.29Å
828	G	66.2	Low	65.3	Low	19 Å²	19	80.2 Å²	80.2	20%	0.196	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-175.7	-173.8	0	0	0	0	0	114.6	F826 K885	F826-G828 VanDerWaalsContact CE2-C 3.43Å; F826-G828 WeakPolarHBondContact CE2-O 3.14Å; F826-G828 VanDerWaalsContact CZ-CA 3.41Å; G828-K885 PolarHBondContact N-O 2.75Å; G828-K885 PolarHBondContact O-N 2.91Å
829	I	71.4	Confident	63.4	Low	40 Å²	40	84.4 Å²	84.4	21%	0.205	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.5	176.5	-65.7	163	0	0	0	109.6	F826 Y833 P867 F882 I883 V884	F826-I829 HydrophobicContact CE2-CD1 4.33Å; F826-I829 HydrophobicContact CE2-CG1 3.84Å; F826-I829 HydrophobicContact CZ-CD1 4.03Å; F826-I829 HydrophobicContact CZ-CG1 3.8Å; I829-Y833 VanDerWaalsContact CG2-OH 3.25Å; I829-Y833 WeakPolarHBondContact CG2-OH 3.47Å; I829-P867 HydrophobicContact CD1-CG 4.01Å; I829-F882 HydrophobicContact CG2-CB 3.56Å; I829-F882 HydrophobicContact CG2-CD2 3.75Å; I829-F882 HydrophobicContact CG2-CG 3.96Å; I829-I883 CarbonylContact C-O 3.4Å; I829-I883 VanDerWaalsContact CA-O 3.27Å; I829-I883 WeakPolarHBondContact CA-O 3.43Å; I829-V884 HydrophobicContact CG1-CG2 4.45Å
830	E	68.6	Low	61.2	Low	83 Å²	83	86.4 Å²	86.4	39%	0.388	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.2	173.4	-64.4	177	154.5	0	0	110.2	F882 I883 K885	E830-F882 CarbonylContact O-C 3.57Å; E830-F882 WeakPolarHBondContact O-CA 3.45Å; E830-F882 WeakPolarHBondContact O-CB 3.27Å; E830-I883 HydrophobicContact CB-CB 4.41Å; E830-I883 PolarHBondContact N-O 3.47Å; E830-I883 PolarHBondContact O-N 2.96Å; E830-K885 VanDerWaalsContact CD-CE 3.48Å; E830-K885 IonicContact OE1-NZ 3.33Å; E830-K885 PolarHBondContact OE1-NZ 2.8Å; E830-K885 WeakPolarHBondContact OE2-CE 3.18Å; E830-K885 IonicContact OE2-NZ 3.38Å; E830-K885 PolarHBondContact OE2-NZ 3.38Å
831	G	60.2	Low	58.5	Low	37 Å²	37	93.8 Å²	93.8	38%	0.381	48%	0.478	S	S	.	.	S	Bend	trans	-177.7	176.1	-178.6	0	0	0	0	0	112.6	Y833	G831-Y833 WeakPolarHBondContact O-CD2 3.41Å
832	E	50.9	Low	56.2	Low	106 Å²	106	96.1 Å²	96.1	50%	0.495	49%	0.49	S	S	.	.			trans	-84.4	125.1	176.9	-66.7	-169.6	125.8	0	0	111.6	L845 Y879	E832-L845 HydrophobicContact CG-CD2 4.5Å; E832-Y879 PolarHBondContact OE2-OH 2.9Å
833	Y	45.6	Very low	53.9	Low	93 Å²	93	102.3 Å²	102.3	37%	0.365	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-122.8	146.7	-175.8	-67.3	-69.1	0	0	0	112.6	I829 G831 P867 I869	I829-Y833 VanDerWaalsContact CG2-OH 3.25Å; I829-Y833 WeakPolarHBondContact CG2-OH 3.47Å; G831-Y833 WeakPolarHBondContact O-CD2 3.41Å; Y833-P867 HydrophobicContact CE1-CB 3.47Å; Y833-P867 VanDerWaalsContact CE1-CB 3.47Å; Y833-P867 WeakPolarHBondContact OH-CB 2.84Å; Y833-I869 HydrophobicContact CD1-CG1 4.23Å; Y833-I869 HydrophobicContact CE1-CD1 4.37Å; Y833-I869 HydrophobicContact CE1-CG1 3.46Å; Y833-I869 VanDerWaalsContact CE1-CG1 3.46Å
834	Y	35.7	Very low	51.5	Low	191 Å²	191	102.5 Å²	102.5	75%	0.749	53%	0.532	S	S	*	.			trans	-111.8	110.7	178.8	-135.7	-82.2	0	0	0	110.8	I836	Y834-I836 PolarHBondContact O-N 3.05Å
835	D	42.4	Very low	48.8	Very low	68 Å²	68	109 Å²	109	36%	0.364	57%	0.566	S	S	.	*			trans	-83	111.1	176.2	-180	6.8	0	0	0	110.3	N837 K838	D835-N837 PolarHBondContact O-N 3.44Å; D835-N837 VanDerWaalsContact O-N 3.08Å; D835-N837 WeakPolarHBondContact OD1-CB 3.2Å; D835-N837 PolarHBondContact OD1-N 3.16Å; D835-N837 PolarHBondContact OD1-ND2 2.72Å; D835-K838 IonicContact OD2-NZ 3.35Å; D835-K838 PolarHBondContact OD2-NZ 3Å
836	I	42.2	Very low	46.3	Very low	157 Å²	157	110.9 Å²	110.9	81%	0.805	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-19.1	-179.4	-56.3	174.7	0	0	0	111.9	Y834	Y834-I836 PolarHBondContact O-N 3.05Å
837	N	45.6	Very low	43.9	Very low	122 Å²	122	111.6 Å²	111.6	65%	0.652	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	2.7	-170	-53.3	-79.4	0	0	0	115.2	D835	D835-N837 PolarHBondContact O-N 3.44Å; D835-N837 VanDerWaalsContact O-N 3.08Å; D835-N837 WeakPolarHBondContact OD1-CB 3.2Å; D835-N837 PolarHBondContact OD1-N 3.16Å; D835-N837 PolarHBondContact OD1-ND2 2.72Å
838	K	45.5	Very low	41.7	Very low	151 Å²	151	115.1 Å²	115.1	66%	0.657	62%	0.619	S	S	*	*			trans	-131.4	87.6	-172.8	-67.7	-173	-173.4	106.6	0	115.1	D835 S840	D835-K838 IonicContact OD2-NZ 3.35Å; D835-K838 PolarHBondContact OD2-NZ 3Å; K838-S840 PolarHBondContact O-N 3.14Å
839	P	35	Very low	40	Very low	134 Å²	134	120.3 Å²	120.3	87%	0.87	64%	0.642	S	S	*	*			trans	-90.8	74.1	176.5	35.9	-34.5	0	0	0	112.9
840	S	35.7	Very low	37.9	Very low	110 Å²	110	121.6 Å²	121.6	77%	0.769	66%	0.655	S	S	*	*			trans	-150.6	142.6	169.4	58.9	0	0	0	0	112.8	K838	K838-S840 PolarHBondContact O-N 3.14Å
841	M	27.1	Very low	36	Very low	167 Å²	167	122.9 Å²	122.9	82%	0.823	67%	0.669	S	S	*	*			trans	-83	145.9	-165.7	-168	-178.9	178.2	0	0	114.1
842	N	30.7	Very low	34.5	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	69%	0.692	S	S	*	*			trans	84.7	140.7	167.9	-61.7	-35.5	0	0	0	119.8
843	Q	29.9	Very low	33.5	Very low	180 Å²	180	129 Å²	129	84%	0.841	69%	0.692	S	S	*	*			trans	85.3	117.6	161.2	-68.5	-179.1	-6.7	0	0	120.9
844	S	30	Very low	33.1	Very low	111 Å²	111	128.4 Å²	128.4	78%	0.776	70%	0.695	S	S	*	*			trans	60.7	123.6	154.4	46.7	0	0	0	0	119.6	S846	S844-S846 PolarHBondContact O-N 2.92Å
845	L	27.2	Very low	33.2	Very low	139 Å²	139	122.6 Å²	122.6	73%	0.728	68%	0.681	S	S	*	*			trans	-55	120.6	169.1	-75	65.4	0	0	0	110.1	E832 T847	E832-L845 HydrophobicContact CG-CD2 4.5Å; L845-T847 PolarHBondContact O-N 2.86Å
846	S	29.7	Very low	33.1	Very low	115 Å²	115	128.5 Å²	128.5	80%	0.804	70%	0.7	S	S	*	*			trans	-79.3	102.1	163.5	56.4	0	0	0	0	108.9	S844 M848	S844-S846 PolarHBondContact O-N 2.92Å; S846-M848 PolarHBondContact O-N 2.72Å
847	T	27.5	Very low	32.9	Very low	105 Å²	105	126.4 Å²	126.4	64%	0.644	69%	0.689	S	S	*	*			trans	-55.9	131.2	160.6	42	0	0	0	0	108.4	L845 N849	L845-T847 PolarHBondContact O-N 2.86Å; T847-N849 WeakPolarHBondContact CB-OD1 3.3Å; T847-N849 PolarHBondContact O-N 2.87Å; T847-N849 PolarHBondContact OG1-OD1 3.39Å
848	M	29.4	Very low	32.2	Very low	152 Å²	152	127.9 Å²	127.9	75%	0.749	70%	0.697	S	S	*	*			trans	-72.2	86.8	165.3	-146.8	179.1	-164.1	0	0	105.9	S846 S850 T863	S846-M848 PolarHBondContact O-N 2.72Å; M848-S850 PolarHBondContact O-N 2.83Å; M848-T863 HydrophobicContact CE-CG2 4.34Å
849	N	29.3	Very low	31.6	Very low	128 Å²	128	128.8 Å²	128.8	68%	0.684	70%	0.7	S	S	*	*			trans	-60.1	103.6	-179.8	-77.4	4.3	0	0	0	107.9	T847 T851	T847-N849 WeakPolarHBondContact CB-OD1 3.3Å; T847-N849 PolarHBondContact O-N 2.87Å; T847-N849 PolarHBondContact OG1-OD1 3.39Å; N849-T851 PolarHBondContact O-N 3.49Å
850	S	27.2	Very low	31.6	Very low	67 Å²	67	128 Å²	128	47%	0.469	70%	0.695	S	S	.	*			trans	-63.3	92.1	167	43	0	0	0	0	107.5	M848 I852	M848-S850 PolarHBondContact O-N 2.83Å; S850-I852 PolarHBondContact O-N 2.84Å
851	T	28.8	Very low	31.3	Very low	111 Å²	111	128.6 Å²	128.6	68%	0.681	69%	0.689	S	S	*	*			trans	-50.1	119	161.7	39.9	0	0	0	0	106.7	N849 M853	N849-T851 PolarHBondContact O-N 3.49Å; T851-M853 PolarHBondContact O-N 3.36Å
852	I	30	Very low	31.4	Very low	172 Å²	172	128 Å²	128	88%	0.882	69%	0.69	S	S	*	*			trans	-57.9	104.5	179.4	-62.1	172.7	0	0	0	106.3	S850 D854	S850-I852 PolarHBondContact O-N 2.84Å; I852-D854 PolarHBondContact O-N 2.82Å
853	M	30.3	Very low	31.5	Very low	99 Å²	99	125.7 Å²	125.7	49%	0.488	68%	0.68	S	S	.	*			trans	-68.4	129.1	177	-71.4	-72.1	-129.9	0	0	107.3	T851 P855 K859	T851-M853 PolarHBondContact O-N 3.36Å; M853-P855 WeakPolarHBondContact O-CD 3.37Å; M853-K859 VanDerWaalsContact CE-O 3.24Å; M853-K859 WeakPolarHBondContact CE-O 3.13Å
854	D	35.2	Very low	31.7	Very low	80 Å²	80	123.6 Å²	123.6	43%	0.428	68%	0.68	S	S	.	*			trans	-59.7	119.2	166	-178	-22.1	0	0	0	107.9	I852 Y856 I857	I852-D854 PolarHBondContact O-N 2.82Å; D854-Y856 PolarHBondContact O-N 2.54Å; D854-Y856 PolarHBondContact OD1-N 3.2Å; D854-I857 HydrophobicContact CB-CB 4.21Å; D854-I857 HydrophobicContact CB-CD1 3.97Å; D854-I857 HydrophobicContact CB-CG1 3.95Å; D854-I857 PolarHBondContact O-N 2.64Å; D854-I857 WeakPolarHBondContact OD2-CD1 3.35Å
855	P	39.4	Very low	32.3	Very low	70 Å²	70	125.5 Å²	125.5	46%	0.455	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-17.8	-177	22.4	-31.3	0	0	0	113.1	M853 L889	M853-P855 WeakPolarHBondContact O-CD 3.37Å; P855-L889 HydrophobicContact CB-CD2 3.79Å
856	Y	39.5	Very low	33.3	Very low	192 Å²	192	124.8 Å²	124.8	75%	0.753	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-3.1	178.6	-66.8	-85.2	0	0	0	114.3	D854	D854-Y856 PolarHBondContact O-N 2.54Å; D854-Y856 PolarHBondContact OD1-N 3.2Å
857	I	38.3	Very low	34.5	Very low	113 Å²	113	122.4 Å²	122.4	58%	0.579	65%	0.654	S	S	*	*	S	Bend	trans	-112.1	91.3	-175.6	-56.1	-177.4	0	0	0	112.2	D854 K859	D854-I857 HydrophobicContact CB-CB 4.21Å; D854-I857 HydrophobicContact CB-CD1 3.97Å; D854-I857 HydrophobicContact CB-CG1 3.95Å; D854-I857 PolarHBondContact O-N 2.64Å; D854-I857 WeakPolarHBondContact OD2-CD1 3.35Å; I857-K859 PolarHBondContact O-N 2.71Å; I857-K859 VanDerWaalsContact O-N 3.08Å
858	N	31.1	Very low	35.9	Very low	153 Å²	153	120.9 Å²	120.9	82%	0.818	65%	0.648	S	S	*	*			trans	-55.9	106.6	176.7	-92.9	-75.8	0	0	0	114.3
859	K	31.8	Very low	37.7	Very low	169 Å²	169	115.6 Å²	115.6	74%	0.735	62%	0.622	S	S	*	*			trans	-162	109.9	152.9	-114	164.8	-170.9	169.6	0	112.3	M853 I857	M853-K859 VanDerWaalsContact CE-O 3.24Å; M853-K859 WeakPolarHBondContact CE-O 3.13Å; I857-K859 PolarHBondContact O-N 2.71Å; I857-K859 VanDerWaalsContact O-N 3.08Å
860	P	34.7	Very low	39.4	Very low	118 Å²	118	116 Å²	116	77%	0.766	62%	0.62	S	S	*	*			trans	-62.3	140.4	168.7	-19.6	32	0	0	0	110.8
861	L	31	Very low	41.6	Very low	122 Å²	122	115.1 Å²	115.1	64%	0.639	61%	0.61	S	S	*	*			trans	-76	127.1	174.9	-141	75.9	0	0	0	109.8	T863	L861-T863 HydrophobicContact CD2-CG2 4.08Å; L861-T863 PolarHBondContact O-N 3.43Å
862	N	29.4	Very low	43.6	Very low	156 Å²	156	112 Å²	112	83%	0.834	59%	0.592	S	S	*	*			trans	-74.9	71	177.6	-94.2	-16.1	0	0	0	111.5
863	T	33	Very low	45.9	Very low	87 Å²	87	106 Å²	106	53%	0.534	56%	0.561	S	S	.	*			trans	-103.3	81.3	172.8	48.9	0	0	0	0	110.2	M848 L861 Q865	M848-T863 HydrophobicContact CE-CG2 4.34Å; L861-T863 HydrophobicContact CD2-CG2 4.08Å; L861-T863 PolarHBondContact O-N 3.43Å; T863-Q865 PolarHBondContact O-N 2.81Å
864	T	32.1	Very low	48.2	Very low	136 Å²	136	107.6 Å²	107.6	83%	0.834	57%	0.572	S	S	*	*			trans	-76.3	34.1	-179.2	60.5	0	0	0	0	113.6
865	Q	42.6	Very low	50.3	Low	152 Å²	152	106.5 Å²	106.5	71%	0.71	56%	0.564	S	S	*	*	S	Bend	trans	-130.7	118.7	178.1	-71.9	-175.6	-62.9	0	0	108.8	T863	T863-Q865 PolarHBondContact O-N 2.81Å
866	I	49.4	Very low	52.2	Low	123 Å²	123	110.7 Å²	110.7	63%	0.631	58%	0.575	S	S	*	*			trans	-59.9	129.7	173.7	-61	170	0	0	0	107.7	S868	I866-S868 VanDerWaalsContact C-N 3.34Å; I866-S868 PolarHBondContact O-N 3.5Å
867	P	54.3	Low	54.2	Low	65 Å²	65	105.3 Å²	105.3	42%	0.422	56%	0.564	S	S	.	*			trans	-66.8	87.9	179.2	23.5	-31.4	0	0	0	111.6	I829 Y833 I869	I829-P867 HydrophobicContact CD1-CG 4.01Å; Y833-P867 HydrophobicContact CE1-CB 3.47Å; Y833-P867 VanDerWaalsContact CE1-CB 3.47Å; Y833-P867 WeakPolarHBondContact OH-CB 2.84Å; P867-I869 PolarHBondContact O-N 3.22Å
868	S	56.2	Low	56.3	Low	73 Å²	73	102.5 Å²	102.5	51%	0.51	56%	0.563	S	S	.	*			trans	-78.7	102.8	178	56.9	0	0	0	0	111.2	I866	I866-S868 VanDerWaalsContact C-N 3.34Å; I866-S868 PolarHBondContact O-N 3.5Å
869	I	67.3	Low	58.7	Low	42 Å²	42	97.5 Å²	97.5	22%	0.215	53%	0.533	C	S	.	.	B	Isolated β-bridge	trans	-88.8	125.7	178.1	-57.2	160.2	0	0	0	109	Y833 P867 L871 I881 F882	Y833-I869 HydrophobicContact CD1-CG1 4.23Å; Y833-I869 HydrophobicContact CE1-CD1 4.37Å; Y833-I869 HydrophobicContact CE1-CG1 3.46Å; Y833-I869 VanDerWaalsContact CE1-CG1 3.46Å; P867-I869 PolarHBondContact O-N 3.22Å; I869-L871 PolarHBondContact O-N 2.8Å; I869-I881 HydrophobicContact CG2-CG2 4Å; I869-F882 HydrophobicContact CD1-CB 3.64Å; I869-F882 HydrophobicContact CD1-CD1 3.37Å; I869-F882 HydrophobicContact CD1-CE1 4.12Å; I869-F882 HydrophobicContact CD1-CG 3.65Å
870	H	65.7	Low	61	Low	136 Å²	136	91.8 Å²	91.8	63%	0.63	51%	0.514	S	S	*	.			trans	-94.8	93.5	179.8	-80.9	-74	0	0	0	111.3
871	L	72.9	Confident	63.1	Low	49 Å²	49	86.6 Å²	86.6	26%	0.257	48%	0.479	S	S	.	.			trans	-77.9	122.3	174.4	-172.8	58.8	0	0	0	111	I869 E875 Y879 I881 L928 L932	I869-L871 PolarHBondContact O-N 2.8Å; L871-E875 HydrophobicContact CD1-CB 4.15Å; L871-E875 HydrophobicContact CD1-CG 3.87Å; L871-Y879 HydrophobicContact CD1-CD1 3.63Å; L871-Y879 HydrophobicContact CD1-CE1 3.68Å; L871-I881 HydrophobicContact CD1-CG1 4.18Å; L871-I881 HydrophobicContact CD2-CD1 3.84Å; L871-I881 HydrophobicContact CD2-CG1 4.23Å; L871-L928 HydrophobicContact CD1-CD2 4.36Å; L871-L928 HydrophobicContact CD2-CD1 4.04Å; L871-L932 HydrophobicContact CD2-CD1 3.88Å; L871-L932 HydrophobicContact CG-CD1 4.03Å
872	S	71.1	Confident	65.5	Low	45 Å²	45	81.2 Å²	81.2	32%	0.315	45%	0.451	S	S	.	.			trans	-78.3	139.6	177.6	175	0	0	0	0	111.4	N874 E875	S872-N874 PolarHBondContact O-N 2.73Å; S872-N874 PolarHBondContact OG-N 2.76Å; S872-E875 WeakPolarHBondContact CB-OE1 3.09Å; S872-E875 WeakPolarHBondContact O-CB 3.46Å; S872-E875 PolarHBondContact O-N 3.23Å
873	I	79.7	Confident	68	Low	46 Å²	46	75.8 Å²	75.8	24%	0.236	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.5	171.8	-169.7	169	0	0	0	112.7	E875 L932 H934 I937	I873-E875 VanDerWaalsContact C-N 3.27Å; I873-E875 PolarHBondContact O-N 2.74Å; I873-L932 HydrophobicContact CG1-CB 4.22Å; I873-L932 WeakPolarHBondContact CG1-O 3.2Å; I873-H934 HydrophobicContact CD1-CB 4.35Å; I873-H934 WeakPolarHBondContact CD1-ND1 3.38Å; I873-I937 HydrophobicContact CD1-CD1 4.12Å; I873-I937 HydrophobicContact CD1-CG1 4.24Å
874	N	76.9	Confident	70.4	Confident	133 Å²	133	71.7 Å²	71.7	71%	0.711	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-3.3	178.1	-60.8	-30.9	0	0	0	113.3	S872	S872-N874 PolarHBondContact O-N 2.73Å; S872-N874 PolarHBondContact OG-N 2.76Å
875	E	79.7	Confident	72.7	Confident	56 Å²	56	68.7 Å²	68.7	26%	0.262	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-69.2	146.5	179.7	-68	-36.7	124.2	0	0	113	L871 S872 I873 Y879 L928 S931	L871-E875 HydrophobicContact CD1-CB 4.15Å; L871-E875 HydrophobicContact CD1-CG 3.87Å; S872-E875 WeakPolarHBondContact CB-OE1 3.09Å; S872-E875 WeakPolarHBondContact O-CB 3.46Å; S872-E875 PolarHBondContact O-N 3.23Å; I873-E875 VanDerWaalsContact C-N 3.27Å; I873-E875 PolarHBondContact O-N 2.74Å; E875-Y879 HydrophobicContact CB-CD1 4.47Å; E875-Y879 HydrophobicContact CB-CD2 4.32Å; E875-Y879 HydrophobicContact CB-CG 4.04Å; E875-Y879 HydrophobicContact CG-CD1 4.12Å; E875-Y879 HydrophobicContact CG-CD2 3.79Å; E875-Y879 HydrophobicContact CG-CE1 4.31Å; E875-Y879 HydrophobicContact CG-CE2 4.02Å; E875-Y879 HydrophobicContact CG-CG 3.85Å; E875-Y879 WeakPolarHBondContact OE2-CD2 3.47Å; E875-L928 HydrophobicContact CB-CD2 3.64Å; E875-S931 PolarHBondContact O-OG 3.45Å
876	K	78.9	Confident	74.7	Confident	158 Å²	158	62 Å²	62	69%	0.687	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-88.9	152.1	-177.1	-67.4	178.3	-178.1	173.5	0	110.9	G878 Y879	K876-G878 PolarHBondContact O-N 2.84Å; K876-Y879 WeakPolarHBondContact O-CB 3.46Å; K876-Y879 PolarHBondContact O-N 3.03Å
877	P	82.8	Confident	76.3	Confident	79 Å²	79	61 Å²	61	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	131.2	166.2	-19.2	31.1	0	0	0	109.7	L928	P877-L928 CarbonylContact C-O 3.55Å; P877-L928 WeakPolarHBondContact CA-O 3.27Å
878	G	82	Confident	77.6	Confident	54 Å²	54	58.2 Å²	58.2	56%	0.557	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-5.2	-171.9	0	0	0	0	0	115.6	K876 C880 L928	K876-G878 PolarHBondContact O-N 2.84Å; G878-C880 PolarHBondContact O-N 2.98Å; G878-L928 PolarHBondContact N-O 3.09Å
879	Y	80.6	Confident	78.8	Confident	49 Å²	49	58 Å²	58	19%	0.192	31%	0.307	C	S	.	.			trans	-60.3	130.2	171.1	179.4	-89.9	0	0	0	110.4	E832 L871 E875 K876 I881 I927 L928	E832-Y879 PolarHBondContact OE2-OH 2.9Å; L871-Y879 HydrophobicContact CD1-CD1 3.63Å; L871-Y879 HydrophobicContact CD1-CE1 3.68Å; E875-Y879 HydrophobicContact CB-CD1 4.47Å; E875-Y879 HydrophobicContact CB-CD2 4.32Å; E875-Y879 HydrophobicContact CB-CG 4.04Å; E875-Y879 HydrophobicContact CG-CD1 4.12Å; E875-Y879 HydrophobicContact CG-CD2 3.79Å; E875-Y879 HydrophobicContact CG-CE1 4.31Å; E875-Y879 HydrophobicContact CG-CE2 4.02Å; E875-Y879 HydrophobicContact CG-CG 3.85Å; E875-Y879 WeakPolarHBondContact OE2-CD2 3.47Å; K876-Y879 WeakPolarHBondContact O-CB 3.46Å; K876-Y879 PolarHBondContact O-N 3.03Å; Y879-I881 HydrophobicContact CD1-CG1 4.05Å; Y879-I881 HydrophobicContact CE1-CG1 4.49Å; Y879-I881 PolarHBondContact O-N 3.26Å; Y879-I927 CarbonylContact O-C 3.49Å; Y879-I927 WeakPolarHBondContact O-CA 3.2Å; Y879-L928 PolarHBondContact O-N 2.93Å
880	C	80	Confident	79.5	Confident	49 Å²	49	56.2 Å²	56.2	33%	0.331	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	112.7	177.5	-178.9	0	0	0	0	109.3	G878 Q925	G878-C880 PolarHBondContact O-N 2.98Å; C880-Q925 PolarHBondContact SG-NE2 3.3Å
881	I	78.6	Confident	80.1	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-45.8	-173.3	-48.1	168.3	0	0	0	109.5	I869 L871 Y879 L917 V926 L928	I869-I881 HydrophobicContact CG2-CG2 4Å; L871-I881 HydrophobicContact CD1-CG1 4.18Å; L871-I881 HydrophobicContact CD2-CD1 3.84Å; L871-I881 HydrophobicContact CD2-CG1 4.23Å; Y879-I881 HydrophobicContact CD1-CG1 4.05Å; Y879-I881 HydrophobicContact CE1-CG1 4.49Å; Y879-I881 PolarHBondContact O-N 3.26Å; I881-L917 HydrophobicContact CD1-CD2 3.23Å; I881-V926 HydrophobicContact CD1-CG1 4.4Å; I881-V926 PolarHBondContact N-O 2.99Å; I881-L928 HydrophobicContact CD1-CB 4.07Å; I881-L928 HydrophobicContact CG1-CB 4.23Å
882	F	82.2	Confident	80.5	Confident	10 Å²	10	56.1 Å²	56.1	4%	0.044	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	168.9	169	57.2	-81.9	0	0	0	113.6	I829 E830 I869 V884 V926 I942	I829-F882 HydrophobicContact CG2-CB 3.56Å; I829-F882 HydrophobicContact CG2-CD2 3.75Å; I829-F882 HydrophobicContact CG2-CG 3.96Å; E830-F882 CarbonylContact O-C 3.57Å; E830-F882 WeakPolarHBondContact O-CA 3.45Å; E830-F882 WeakPolarHBondContact O-CB 3.27Å; I869-F882 HydrophobicContact CD1-CB 3.64Å; I869-F882 HydrophobicContact CD1-CD1 3.37Å; I869-F882 HydrophobicContact CD1-CE1 4.12Å; I869-F882 HydrophobicContact CD1-CG 3.65Å; F882-V884 HydrophobicContact CD2-CG2 3.74Å; F882-V884 HydrophobicContact CE2-CG2 3.55Å; F882-V926 HydrophobicContact CD1-CB 4.12Å; F882-V926 HydrophobicContact CD1-CG1 4.49Å; F882-V926 HydrophobicContact CD2-CB 4.39Å; F882-V926 HydrophobicContact CD2-CG2 4.18Å; F882-V926 HydrophobicContact CE1-CB 3.91Å; F882-V926 HydrophobicContact CE1-CG1 3.97Å; F882-V926 HydrophobicContact CE1-CG2 4.15Å; F882-V926 HydrophobicContact CE2-CB 4.2Å; F882-V926 HydrophobicContact CE2-CG2 3.67Å; F882-V926 HydrophobicContact CG-CB 4.37Å; F882-V926 HydrophobicContact CZ-CB 3.96Å; F882-V926 HydrophobicContact CZ-CG1 4.21Å; F882-V926 HydrophobicContact CZ-CG2 3.66Å; F882-V926 PolarHBondContact N-O 2.98Å; F882-V926 PolarHBondContact O-N 2.83Å; F882-I942 HydrophobicContact CE1-CD1 3.75Å; F882-I942 HydrophobicContact CZ-CD1 3.9Å; F882-I942 HydrophobicContact CZ-CG2 4.35Å
883	I	82.2	Confident	80.9	Confident	41 Å²	41	59.3 Å²	59.3	21%	0.21	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.9	168.7	-55.6	172.1	0	0	0	109	I829 E830 N923 Q925	I829-I883 CarbonylContact C-O 3.4Å; I829-I883 VanDerWaalsContact CA-O 3.27Å; I829-I883 WeakPolarHBondContact CA-O 3.43Å; E830-I883 HydrophobicContact CB-CB 4.41Å; E830-I883 PolarHBondContact N-O 3.47Å; E830-I883 PolarHBondContact O-N 2.96Å; I883-N923 WeakPolarHBondContact CG2-O 3.37Å; I883-Q925 HydrophobicContact CG1-CB 4.1Å; I883-Q925 HydrophobicContact CG1-CG 3.97Å
884	V	82.5	Confident	81	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.3	172.6	-173.6	0	0	0	0	109.6	F826 I829 F882 Y899 M919 G924 V944 I958	F826-V884 HydrophobicContact CD2-CG1 4.29Å; F826-V884 HydrophobicContact CE2-CG1 4.08Å; I829-V884 HydrophobicContact CG1-CG2 4.45Å; F882-V884 HydrophobicContact CD2-CG2 3.74Å; F882-V884 HydrophobicContact CE2-CG2 3.55Å; V884-Y899 HydrophobicContact CB-CD1 4.39Å; V884-Y899 HydrophobicContact CB-CE1 4.4Å; V884-Y899 HydrophobicContact CG1-CD1 4.38Å; V884-Y899 HydrophobicContact CG1-CE1 4.24Å; V884-M919 HydrophobicContact CB-CE 4.35Å; V884-M919 HydrophobicContact CG2-CE 3.91Å; V884-G924 PolarHBondContact N-O 2.88Å; V884-V944 HydrophobicContact CG1-CG1 4.13Å; V884-V944 HydrophobicContact CG2-CG1 4.17Å; V884-V944 HydrophobicContact CG2-CG2 4.1Å; V884-I958 HydrophobicContact CG1-CD1 3.99Å
885	K	82	Confident	81.4	Confident	74 Å²	74	53.6 Å²	53.6	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133	174.7	-66.8	-176.8	176.6	175.5	0	111.6	F826 I827 G828 E830	F826-K885 WeakPolarHBondContact CD2-O 3.35Å; I827-K885 HydrophobicContact CB-CB 3.98Å; I827-K885 HydrophobicContact CD1-CB 4.3Å; I827-K885 HydrophobicContact CG2-CB 4.46Å; I827-K885 PolarHBondContact N-O 3.35Å; G828-K885 PolarHBondContact N-O 2.75Å; G828-K885 PolarHBondContact O-N 2.91Å; E830-K885 VanDerWaalsContact CD-CE 3.48Å; E830-K885 IonicContact OE1-NZ 3.33Å; E830-K885 PolarHBondContact OE1-NZ 2.8Å; E830-K885 WeakPolarHBondContact OE2-CE 3.18Å; E830-K885 IonicContact OE2-NZ 3.38Å; E830-K885 PolarHBondContact OE2-NZ 3.38Å
886	A	83.2	Confident	81.7	Confident	11 Å²	11	55 Å²	55	9%	0.091	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	165.9	171.2	0	0	0	0	0	110.1	Y825 L897 Y899 V946	Y825-A886 CarbonylContact O-C 3.58Å; Y825-A886 WeakPolarHBondContact O-CA 3.41Å; Y825-A886 VanDerWaalsContact O-CB 3.25Å; Y825-A886 WeakPolarHBondContact O-CB 3.19Å; A886-L897 VanDerWaalsContact C-CD1 3.46Å; A886-L897 HydrophobicContact CB-CD1 3.9Å; A886-L897 WeakPolarHBondContact O-CD1 3.4Å; A886-Y899 HydrophobicContact CB-CE1 4.15Å; A886-Y899 PolarHBondContact N-OH 3.34Å; A886-Y899 VanDerWaalsContact N-OH 3.11Å; A886-Y899 PolarHBondContact O-OH 2.82Å; A886-V946 HydrophobicContact CB-CB 4.48Å; A886-V946 HydrophobicContact CB-CG1 3.98Å; A886-V946 HydrophobicContact CB-CG2 4.13Å
887	F	84.2	Confident	82.2	Confident	102 Å²	102	48.8 Å²	48.8	45%	0.447	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.3	-178.1	-168.8	-96.8	0	0	0	110.3	P824 Y825 I827 L889	P824-F887 CarbonylContact C-O 3.44Å; P824-F887 WeakPolarHBondContact CA-O 3.28Å; Y825-F887 WeakPolarHBondContact CD1-O 3.35Å; Y825-F887 HydrophobicContact CE1-CB 4.11Å; Y825-F887 AromaticContact CE1-CD1 3.7Å; Y825-F887 HydrophobicContact CE1-CD1 3.7Å; Y825-F887 HydrophobicContact CE1-CG 4.39Å; Y825-F887 HydrophobicContact CE2-CB 4.14Å; Y825-F887 AromaticContact CZ-CD1 3.69Å; Y825-F887 PolarHBondContact N-O 2.88Å; Y825-F887 PolarHBondContact O-N 3.34Å; Y825-F887 VanDerWaalsContact OH-CD1 3.31Å; Y825-F887 WeakPolarHBondContact OH-CD1 3.34Å; I827-F887 HydrophobicContact CD1-CB 3.79Å; I827-F887 HydrophobicContact CG1-CB 4.29Å; F887-L889 HydrophobicContact CD1-CD2 4.47Å; F887-L889 HydrophobicContact CE1-CD2 4.2Å
888	D	81.9	Confident	82.5	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.032	28%	0.282	C	S	.	.			trans	-137.3	159.1	174.7	-136.8	-38.8	0	0	0	111.4	K823 P824 L897	K823-D888 PolarHBondContact N-OD1 2.92Å; P824-D888 VanDerWaalsContact CA-OD2 3.3Å; P824-D888 WeakPolarHBondContact CA-OD2 3.4Å; P824-D888 WeakPolarHBondContact CD-OD2 3.41Å; P824-D888 WeakPolarHBondContact CG-OD2 3.44Å; D888-L897 HydrophobicContact CB-CD2 4.2Å
889	L	80.8	Confident	82.8	Confident	68 Å²	68	49 Å²	49	36%	0.356	26%	0.259	S	S	.	.	S	Bend	trans	-99.6	-18.5	-170.9	-62.9	172.5	0	0	0	114.8	N822 Y825 P855 F887	N822-L889 HydrophobicContact CB-CB 3.82Å; Y825-L889 HydrophobicContact CE1-CD2 4.12Å; Y825-L889 HydrophobicContact CE1-CG 4.2Å; P855-L889 HydrophobicContact CB-CD2 3.79Å; F887-L889 HydrophobicContact CD1-CD2 4.47Å; F887-L889 HydrophobicContact CE1-CD2 4.2Å
890	D	82.3	Confident	83.1	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.027	27%	0.273	C	S	.	.	S	Bend	trans	-75.9	176.2	-179.5	-57	-22.4	0	0	0	112.5	N820 D821 N822 N894 S895	N820-D890 VanDerWaalsContact CA-OD2 3.26Å; N820-D890 WeakPolarHBondContact CA-OD2 3.42Å; D821-D890 PolarHBondContact N-OD2 2.88Å; N822-D890 WeakPolarHBondContact CB-OD1 3.36Å; N822-D890 PolarHBondContact N-OD1 3.46Å; N822-D890 PolarHBondContact N-OD2 2.91Å; N822-D890 PolarHBondContact ND2-OD1 3.46Å; D890-N894 HydrophobicContact CB-CB 3.34Å; D890-S895 WeakPolarHBondContact O-CB 3.32Å; D890-S895 PolarHBondContact O-OG 3.19Å
891	E	77.7	Confident	83.1	Confident	122 Å²	122	49.4 Å²	49.4	57%	0.57	26%	0.261	S	S	*	.			trans	-100.2	152	179.6	-88.3	-165.4	175.1	0	0	115.9	F788 D818 M893 N894	F788-E891 HydrophobicContact CD1-CG 4.31Å; F788-E891 HydrophobicContact CE1-CB 4.09Å; F788-E891 HydrophobicContact CE1-CG 3.72Å; D818-E891 HydrophobicContact CB-CB 4.38Å; D818-E891 PolarHBondContact OD1-N 3.12Å; E891-M893 PolarHBondContact O-N 2.63Å; E891-N894 WeakPolarHBondContact O-CB 3.36Å; E891-N894 PolarHBondContact O-N 3.27Å
892	G	80.6	Confident	83.1	Confident	61 Å²	61	52 Å²	52	63%	0.629	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-106.9	165.1	0	0	0	0	0	115.5
893	M	80.7	Confident	82.4	Confident	112 Å²	112	53.3 Å²	53.3	55%	0.552	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-29.1	177.5	-77.6	-62.8	-54.9	0	0	112.1	E891 L896 S949 G950	E891-M893 PolarHBondContact O-N 2.63Å; M893-L896 HydrophobicContact CE-CD2 4.18Å; M893-L896 WeakPolarHBondContact O-CB 3.39Å; M893-L896 PolarHBondContact O-N 3.25Å; M893-L896 HydrophobicContact SD-CD2 4Å; M893-S949 CarbonylContact O-C 3.53Å; M893-G950 PolarHBondContact O-N 3.23Å
894	N	81.9	Confident	81.3	Confident	23 Å²	23	57 Å²	57	12%	0.123	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-33.2	-176.2	-62	-15.1	0	0	0	110.8	D818 N820 D890 E891 D948	D818-N894 VanDerWaalsContact CG-ND2 3.26Å; D818-N894 PolarHBondContact OD1-ND2 3.4Å; D818-N894 PolarHBondContact OD2-ND2 2.75Å; N820-N894 HydrophobicContact CB-CB 4.02Å; N820-N894 PolarHBondContact N-ND2 3.39Å; N820-N894 WeakPolarHBondContact OD1-CA 3.5Å; N820-N894 WeakPolarHBondContact OD1-CB 3.33Å; N820-N894 PolarHBondContact OD1-O 3.48Å; D890-N894 HydrophobicContact CB-CB 3.34Å; E891-N894 WeakPolarHBondContact O-CB 3.36Å; E891-N894 PolarHBondContact O-N 3.27Å; N894-D948 VanDerWaalsContact O-CB 3.26Å; N894-D948 WeakPolarHBondContact O-CB 3.46Å
895	S	83.9	Confident	79.8	Confident	37 Å²	37	62.4 Å²	62.4	26%	0.259	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9.3	173	42.3	0	0	0	0	116.1	D890 L897	D890-S895 WeakPolarHBondContact O-CB 3.32Å; D890-S895 PolarHBondContact O-OG 3.19Å; S895-L897 PolarHBondContact O-N 2.97Å; S895-L897 VanDerWaalsContact O-N 3.13Å
896	L	87.1	Confident	78.2	Confident	86 Å²	86	63.9 Å²	63.9	45%	0.45	34%	0.342	S	S	.	.			trans	-82.1	97.5	-172.5	-178.9	61.5	0	0	0	113	M893 D948 S949	M893-L896 HydrophobicContact CE-CD2 4.18Å; M893-L896 WeakPolarHBondContact O-CB 3.39Å; M893-L896 PolarHBondContact O-N 3.25Å; M893-L896 HydrophobicContact SD-CD2 4Å; L896-D948 CarbonylContact O-C 3.58Å; L896-D948 VanDerWaalsContact O-C 3.23Å; L896-S949 PolarHBondContact O-N 3.25Å; L896-S949 VanDerWaalsContact O-N 3.15Å; L896-S949 PolarHBondContact O-OG 2.86Å
897	L	88.5	Confident	76.6	Confident	26 Å²	26	73.5 Å²	73.5	14%	0.136	38%	0.376	C	S	.	.			trans	-78.5	141.5	-172.8	-58.9	-174.9	0	0	0	116.2	P824 A886 D888 S895 Y899 V946 K947	P824-L897 HydrophobicContact CB-CD2 3.73Å; P824-L897 HydrophobicContact CG-CD2 3.66Å; A886-L897 VanDerWaalsContact C-CD1 3.46Å; A886-L897 HydrophobicContact CB-CD1 3.9Å; A886-L897 WeakPolarHBondContact O-CD1 3.4Å; D888-L897 HydrophobicContact CB-CD2 4.2Å; S895-L897 PolarHBondContact O-N 2.97Å; S895-L897 VanDerWaalsContact O-N 3.13Å; L897-Y899 HydrophobicContact CB-CE2 4.08Å; L897-V946 HydrophobicContact CB-CG1 4.15Å; L897-V946 HydrophobicContact CD1-CG1 4.17Å; L897-V946 HydrophobicContact CD2-CG1 4.11Å; L897-V946 HydrophobicContact CG-CG1 4.38Å; L897-K947 CarbonylContact C-O 3.56Å; L897-K947 VanDerWaalsContact CA-O 3.26Å; L897-K947 WeakPolarHBondContact CA-O 3.23Å
898	Q	89	Confident	75.1	Confident	115 Å²	115	76.1 Å²	76.1	54%	0.537	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.2	172.2	-55.5	-175.4	31.8	0	0	111.3	V946 K947 S949	Q898-V946 CarbonylContact O-C 3.56Å; Q898-V946 VanDerWaalsContact O-CA 3.27Å; Q898-V946 WeakPolarHBondContact O-CA 3.46Å; Q898-K947 PolarHBondContact N-O 2.81Å; Q898-K947 PolarHBondContact O-N 3.42Å; Q898-S949 PolarHBondContact NE2-OG 2.65Å
899	Y	89.3	Confident	73.8	Confident	22 Å²	22	80.2 Å²	80.2	9%	0.086	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.8	-172.6	-63.3	-102.4	0	0	0	112.8	V884 A886 L897 M919 T921 I945 V946	V884-Y899 HydrophobicContact CB-CD1 4.39Å; V884-Y899 HydrophobicContact CB-CE1 4.4Å; V884-Y899 HydrophobicContact CG1-CD1 4.38Å; V884-Y899 HydrophobicContact CG1-CE1 4.24Å; A886-Y899 HydrophobicContact CB-CE1 4.15Å; A886-Y899 PolarHBondContact N-OH 3.34Å; A886-Y899 VanDerWaalsContact N-OH 3.11Å; A886-Y899 PolarHBondContact O-OH 2.82Å; L897-Y899 HydrophobicContact CB-CE2 4.08Å; Y899-M919 HydrophobicContact CD1-CE 4.45Å; Y899-T921 PolarHBondContact N-O 2.94Å; Y899-T921 WeakPolarHBondContact O-CA 3.39Å; Y899-T921 WeakPolarHBondContact O-CB 3.37Å; Y899-T921 WeakPolarHBondContact O-CG2 3.29Å; Y899-I945 CarbonylContact C-O 3.58Å; Y899-I945 WeakPolarHBondContact CA-O 3.48Å; Y899-V946 HydrophobicContact CD1-CG1 4.33Å; Y899-V946 HydrophobicContact CD1-CG2 3.71Å; Y899-V946 HydrophobicContact CE1-CG1 4.18Å; Y899-V946 HydrophobicContact CE1-CG2 3.84Å
900	N	85.7	Confident	72.6	Confident	89 Å²	89	77.2 Å²	77.2	48%	0.476	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158	173.4	-164.3	13.4	0	0	0	113.1	M919 V944 I945	N900-M919 WeakPolarHBondContact CA-SD 3.24Å; N900-M919 PolarHBondContact N-SD 3.06Å; N900-M919 VanDerWaalsContact N-SD 3.42Å; N900-V944 WeakPolarHBondContact O-CA 3.18Å; N900-V944 WeakPolarHBondContact O-CG1 3.47Å; N900-I945 PolarHBondContact N-O 2.75Å; N900-I945 PolarHBondContact O-N 2.87Å
901	I	81.6	Confident	71.6	Confident	18 Å²	18	84 Å²	84	9%	0.092	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.8	176.3	58.7	174.1	0	0	0	113.7	L917 M919 V926 I942 T943 V944	I901-L917 HydrophobicContact CD1-CB 4.14Å; I901-M919 HydrophobicContact CD1-CB 4.11Å; I901-M919 HydrophobicContact CG1-CB 4.02Å; I901-M919 HydrophobicContact CG2-CB 4.18Å; I901-M919 HydrophobicContact CG2-CE 3.71Å; I901-M919 HydrophobicContact CG2-CG 4.29Å; I901-M919 HydrophobicContact CG2-SD 3.68Å; I901-V926 HydrophobicContact CD1-CG1 4.39Å; I901-V926 HydrophobicContact CG2-CG2 4.09Å; I901-I942 HydrophobicContact CB-CG2 4.01Å; I901-I942 HydrophobicContact CG2-CG2 3.87Å; I901-T943 WeakPolarHBondContact CA-O 3.35Å; I901-V944 HydrophobicContact CG2-CG2 4.25Å
902	T	77.5	Confident	71	Confident	63 Å²	63	81 Å²	81	39%	0.387	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164.3	169.6	54.4	0	0	0	0	110.8	I942 T943	T902-I942 WeakPolarHBondContact O-CA 3.34Å; T902-T943 PolarHBondContact N-O 2.98Å; T902-T943 PolarHBondContact O-N 3.18Å; T902-T943 WeakPolarHBondContact OG1-CB 3.35Å
903	L	67.4	Low	70.5	Confident	38 Å²	38	78.5 Å²	78.5	20%	0.199	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.7	-178.3	-78.7	173.1	0	0	0	112.2	I913 L914 L917 K941 I942	L903-I913 HydrophobicContact CD1-CG2 3.78Å; L903-L914 HydrophobicContact CD1-CB 3.87Å; L903-L914 HydrophobicContact CD1-CD1 3.65Å; L903-L914 HydrophobicContact CD1-CG 4.34Å; L903-L914 HydrophobicContact CG-CD1 3.98Å; L903-L917 HydrophobicContact CD1-CD1 4.37Å; L903-L917 HydrophobicContact CD2-CD1 4.41Å; L903-K941 WeakPolarHBondContact CA-O 3.48Å; L903-K941 WeakPolarHBondContact CD2-O 3.09Å; L903-I942 HydrophobicContact CD2-CB 4.36Å; L903-I942 HydrophobicContact CD2-CG1 3.52Å
904	E	59.1	Low	70	Confident	117 Å²	117	77 Å²	77	55%	0.547	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	153.3	166.2	-70	-162.2	112.8	0	0	112.3	K941	E904-K941 PolarHBondContact N-O 3.4Å; E904-K941 VanDerWaalsContact N-O 3.1Å; E904-K941 IonicContact OE2-NZ 2.9Å; E904-K941 PolarHBondContact OE2-NZ 2.83Å
905	Y	51	Low	69.7	Low	116 Å²	116	81 Å²	81	46%	0.455	41%	0.406	S	S	.	.			trans	-131.6	129.9	-150.2	-152.3	-28.9	0	0	0	113.1	N908 K909 A910 E911	Y905-N908 VanDerWaalsContact OH-C 3.28Å; Y905-N908 WeakPolarHBondContact OH-CA 3.41Å; Y905-K909 VanDerWaalsContact CE1-N 3.35Å; Y905-K909 PolarHBondContact OH-N 2.03Å; Y905-K909 VanDerWaalsContact OH-N 3.09Å; Y905-A910 HydrophobicContact CD1-CB 3.56Å; Y905-A910 HydrophobicContact CD2-CB 3.88Å; Y905-A910 HydrophobicContact CE1-CB 3.47Å; Y905-A910 VanDerWaalsContact CE1-CB 3.47Å; Y905-A910 VanDerWaalsContact CE1-N 3.28Å; Y905-A910 HydrophobicContact CE2-CB 3.83Å; Y905-A910 HydrophobicContact CG-CB 3.77Å; Y905-A910 PolarHBondContact OH-N 3.24Å; Y905-E911 HydrophobicContact CE2-CG 4.28Å
906	S	48.8	Very low	69.5	Low	104 Å²	104	79.3 Å²	79.3	73%	0.727	39%	0.394	S	S	*	.	S	Bend	trans	-125.6	105.3	161.6	-171.6	0	0	0	0	111.9
907	R	49.5	Very low	69.3	Low	214 Å²	214	76.4 Å²	76.4	81%	0.808	38%	0.379	S	S	*	.	S	Bend	trans	64.4	96.6	171.8	-51.2	-179.3	-172.2	-178.8	2.8	117.3	K909	R907-K909 VanDerWaalsContact C-N 3.33Å; R907-K909 PolarHBondContact O-N 3.08Å
908	N	52.6	Low	69.2	Low	156 Å²	156	80.7 Å²	80.7	83%	0.834	40%	0.397	S	S	*	.	S	Bend	trans	48.2	25.5	151.1	-56.5	29.7	0	0	0	120.1	Y905	Y905-N908 VanDerWaalsContact OH-C 3.28Å; Y905-N908 WeakPolarHBondContact OH-CA 3.41Å
909	K	54.5	Low	69	Low	92 Å²	92	76.3 Å²	76.3	40%	0.4	38%	0.376	S	S	.	.			trans	-131.3	0.9	178.3	-70.6	-175	166.6	-155.6	0	117.1	Y905 R907 T912 I913 N935 I937	Y905-K909 VanDerWaalsContact CE1-N 3.35Å; Y905-K909 PolarHBondContact OH-N 2.03Å; Y905-K909 VanDerWaalsContact OH-N 3.09Å; R907-K909 VanDerWaalsContact C-N 3.33Å; R907-K909 PolarHBondContact O-N 3.08Å; K909-T912 PolarHBondContact O-OG1 3Å; K909-I913 WeakPolarHBondContact O-CD1 3.37Å; K909-N935 VanDerWaalsContact CD-O 3.28Å; K909-N935 WeakPolarHBondContact CD-O 3.01Å; K909-N935 WeakPolarHBondContact CE-O 3.4Å; K909-N935 PolarHBondContact NZ-O 2.95Å; K909-I937 PolarHBondContact NZ-O 2.89Å
910	A	56.8	Low	68.9	Low	5 Å²	5	78.3 Å²	78.3	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-105.7	-16.4	-164.6	0	0	0	0	0	116.9	Y905 T912 I913 L914 Y940	Y905-A910 HydrophobicContact CD1-CB 3.56Å; Y905-A910 HydrophobicContact CD2-CB 3.88Å; Y905-A910 HydrophobicContact CE1-CB 3.47Å; Y905-A910 VanDerWaalsContact CE1-CB 3.47Å; Y905-A910 VanDerWaalsContact CE1-N 3.28Å; Y905-A910 HydrophobicContact CE2-CB 3.83Å; Y905-A910 HydrophobicContact CG-CB 3.77Å; Y905-A910 PolarHBondContact OH-N 3.24Å; A910-T912 VanDerWaalsContact C-N 3.25Å; A910-T912 PolarHBondContact O-N 3.1Å; A910-I913 PolarHBondContact O-N 2.92Å; A910-L914 PolarHBondContact O-N 2.68Å; A910-L914 VanDerWaalsContact O-N 3.08Å; A910-Y940 HydrophobicContact CB-CD1 4.04Å; A910-Y940 HydrophobicContact CB-CE1 3.95Å
911	E	60.7	Low	68.9	Low	147 Å²	147	78 Å²	78	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-60	-42.3	169.5	-72.5	177.7	139.2	0	0	110.2	Y905 I913 L914 D915	Y905-E911 HydrophobicContact CE2-CG 4.28Å; E911-I913 VanDerWaalsContact C-N 3.34Å; E911-I913 PolarHBondContact O-N 2.87Å; E911-L914 WeakPolarHBondContact O-CB 3.47Å; E911-L914 PolarHBondContact O-N 2.93Å; E911-D915 PolarHBondContact O-N 2.84Å; E911-D915 VanDerWaalsContact O-N 3.16Å
912	T	64.6	Low	69.1	Low	60 Å²	60	81.4 Å²	81.4	37%	0.368	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-35.5	179.4	67.7	0	0	0	0	111.8	K909 A910 D915 A916 R930 E936	K909-T912 PolarHBondContact O-OG1 3Å; A910-T912 VanDerWaalsContact C-N 3.25Å; A910-T912 PolarHBondContact O-N 3.1Å; T912-D915 PolarHBondContact O-N 3.45Å; T912-A916 PolarHBondContact O-N 2.99Å; T912-R930 VanDerWaalsContact C-NH2 3.35Å; T912-R930 PolarHBondContact O-NH2 2.86Å; T912-E936 WeakPolarHBondContact CB-OE1 3.23Å; T912-E936 PolarHBondContact OG1-OE1 2.93Å
913	I	70.5	Confident	69.4	Low	9 Å²	9	81.5 Å²	81.5	5%	0.046	41%	0.413	C	S	.	.	H	α-helix	trans	-65.5	-37.6	171	-87.7	71.9	0	0	0	111.4	L903 K909 A910 E911 D915 A916 L917 E936 Y940	L903-I913 HydrophobicContact CD1-CG2 3.78Å; K909-I913 WeakPolarHBondContact O-CD1 3.37Å; A910-I913 PolarHBondContact O-N 2.92Å; E911-I913 VanDerWaalsContact C-N 3.34Å; E911-I913 PolarHBondContact O-N 2.87Å; I913-D915 VanDerWaalsContact C-N 3.31Å; I913-D915 PolarHBondContact O-N 2.88Å; I913-A916 CarbonylContact O-C 3.59Å; I913-A916 WeakPolarHBondContact O-CA 3.43Å; I913-A916 WeakPolarHBondContact O-CB 2.97Å; I913-A916 PolarHBondContact O-N 2.94Å; I913-L917 HydrophobicContact CG2-CD1 3.72Å; I913-L917 HydrophobicContact CG2-CG 4.05Å; I913-L917 WeakPolarHBondContact O-CG 3.16Å; I913-L917 PolarHBondContact O-N 2.6Å; I913-E936 HydrophobicContact CD1-CB 3.62Å; I913-E936 HydrophobicContact CD1-CG 3.77Å; I913-Y940 HydrophobicContact CB-CD1 4.23Å; I913-Y940 HydrophobicContact CB-CE1 4.15Å; I913-Y940 HydrophobicContact CD1-CE1 3.75Å; I913-Y940 HydrophobicContact CD1-CE2 3.91Å; I913-Y940 VanDerWaalsContact CD1-OH 3.25Å; I913-Y940 WeakPolarHBondContact CD1-OH 3.19Å; I913-Y940 HydrophobicContact CG1-CD1 4.18Å; I913-Y940 HydrophobicContact CG1-CD2 4.11Å; I913-Y940 HydrophobicContact CG1-CE1 3.81Å; I913-Y940 HydrophobicContact CG1-CE2 3.73Å; I913-Y940 HydrophobicContact CG1-CG 4.34Å; I913-Y940 HydrophobicContact CG2-CD1 4.14Å; I913-Y940 HydrophobicContact CG2-CD2 4.49Å; I913-Y940 HydrophobicContact CG2-CG 4.14Å
914	L	69	Low	70.1	Confident	80 Å²	80	79.7 Å²	79.7	42%	0.419	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-41.7	177.5	-162.6	67.2	0	0	0	111	L903 A910 E911 A916 L917	L903-L914 HydrophobicContact CD1-CB 3.87Å; L903-L914 HydrophobicContact CD1-CD1 3.65Å; L903-L914 HydrophobicContact CD1-CG 4.34Å; L903-L914 HydrophobicContact CG-CD1 3.98Å; A910-L914 PolarHBondContact O-N 2.68Å; A910-L914 VanDerWaalsContact O-N 3.08Å; E911-L914 WeakPolarHBondContact O-CB 3.47Å; E911-L914 PolarHBondContact O-N 2.93Å; L914-A916 PolarHBondContact O-N 3.1Å; L914-L917 PolarHBondContact O-N 3.34Å
915	D	75.8	Confident	71.4	Confident	108 Å²	108	76.9 Å²	76.9	58%	0.578	39%	0.391	S	S	*	.	H	α-helix	trans	-63.3	-21	171.6	-71.2	-25.5	0	0	0	113.5	E911 T912 I913 N929	E911-D915 PolarHBondContact O-N 2.84Å; E911-D915 VanDerWaalsContact O-N 3.16Å; T912-D915 PolarHBondContact O-N 3.45Å; I913-D915 VanDerWaalsContact C-N 3.31Å; I913-D915 PolarHBondContact O-N 2.88Å; D915-N929 PolarHBondContact O-ND2 3.39Å
916	A	79.7	Confident	72.9	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.008	37%	0.369	C	S	.	.	H	α-helix	trans	-89.9	-9.6	174.7	0	0	0	0	0	113.7	T912 I913 L914 L928 N929 R930 L932	T912-A916 PolarHBondContact O-N 2.99Å; I913-A916 CarbonylContact O-C 3.59Å; I913-A916 WeakPolarHBondContact O-CA 3.43Å; I913-A916 WeakPolarHBondContact O-CB 2.97Å; I913-A916 PolarHBondContact O-N 2.94Å; L914-A916 PolarHBondContact O-N 3.1Å; A916-L928 HydrophobicContact CB-CD1 4.27Å; A916-L928 CarbonylContact O-C 3.53Å; A916-L928 WeakPolarHBondContact O-CA 3.15Å; A916-L928 WeakPolarHBondContact O-CD1 3.36Å; A916-N929 PolarHBondContact O-N 3.03Å; A916-R930 HydrophobicContact CB-CG 3.95Å; A916-L932 HydrophobicContact CB-CD2 4.03Å
917	L	83.8	Confident	74.6	Confident	24 Å²	24	68.6 Å²	68.6	13%	0.126	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.3	179.7	-64.5	179.5	0	0	0	111	I881 I901 L903 I913 L914 V926 I942	I881-L917 HydrophobicContact CD1-CD2 3.23Å; I901-L917 HydrophobicContact CD1-CB 4.14Å; L903-L917 HydrophobicContact CD1-CD1 4.37Å; L903-L917 HydrophobicContact CD2-CD1 4.41Å; I913-L917 HydrophobicContact CG2-CD1 3.72Å; I913-L917 HydrophobicContact CG2-CG 4.05Å; I913-L917 WeakPolarHBondContact O-CG 3.16Å; I913-L917 PolarHBondContact O-N 2.6Å; L914-L917 PolarHBondContact O-N 3.34Å; L917-V926 HydrophobicContact CD2-CG1 4.35Å; L917-I942 HydrophobicContact CD1-CD1 3.84Å; L917-I942 HydrophobicContact CD1-CG1 4.22Å
918	K	85.3	Confident	76.3	Confident	117 Å²	117	58.4 Å²	58.4	51%	0.509	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.6	175.4	-178.1	176.2	-179.3	179.3	0	110.9	V926 I927 N929	K918-V926 WeakPolarHBondContact O-CA 3.17Å; K918-I927 HydrophobicContact CB-CG1 3.99Å; K918-I927 PolarHBondContact N-O 3.42Å; K918-I927 PolarHBondContact O-N 3.02Å; K918-N929 HydrophobicContact CB-CB 4.2Å
919	M	85.5	Confident	77.8	Confident	22 Å²	22	55.1 Å²	55.1	11%	0.108	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	144.4	168.1	-164.8	-175.8	-130.4	0	0	111.1	V884 Y899 N900 I901 Q925 V926 V944	V884-M919 HydrophobicContact CB-CE 4.35Å; V884-M919 HydrophobicContact CG2-CE 3.91Å; Y899-M919 HydrophobicContact CD1-CE 4.45Å; N900-M919 WeakPolarHBondContact CA-SD 3.24Å; N900-M919 PolarHBondContact N-SD 3.06Å; N900-M919 VanDerWaalsContact N-SD 3.42Å; I901-M919 HydrophobicContact CD1-CB 4.11Å; I901-M919 HydrophobicContact CG1-CB 4.02Å; I901-M919 HydrophobicContact CG2-CB 4.18Å; I901-M919 HydrophobicContact CG2-CE 3.71Å; I901-M919 HydrophobicContact CG2-CG 4.29Å; I901-M919 HydrophobicContact CG2-SD 3.68Å; M919-Q925 CarbonylContact C-O 3.49Å; M919-Q925 VanDerWaalsContact CA-O 3.27Å; M919-Q925 WeakPolarHBondContact CA-O 3.12Å; M919-V926 HydrophobicContact CB-CG2 4.15Å; M919-V926 HydrophobicContact CE-CG2 4.05Å; M919-V926 HydrophobicContact CG-CG2 3.94Å; M919-V944 HydrophobicContact CE-CG1 3.74Å
920	N	86.9	Confident	79.2	Confident	64 Å²	64	54.2 Å²	54.2	34%	0.342	28%	0.284	S	S	.	.			trans	-93.8	119.7	162.3	178	15.5	0	0	0	109.9	S922 N923 G924 Q925	N920-S922 VanDerWaalsContact C-N 3.26Å; N920-S922 PolarHBondContact O-N 3.19Å; N920-S922 PolarHBondContact OD1-OG 3.03Å; N920-N923 VanDerWaalsContact CB-OD1 3.27Å; N920-N923 WeakPolarHBondContact CB-OD1 3.16Å; N920-N923 VanDerWaalsContact CG-OD1 3.3Å; N920-N923 PolarHBondContact ND2-ND2 2.94Å; N920-N923 PolarHBondContact ND2-OD1 3.05Å; N920-G924 PolarHBondContact O-N 2.93Å; N920-G924 VanDerWaalsContact O-N 3.15Å; N920-Q925 HydrophobicContact CB-CB 4.45Å; N920-Q925 PolarHBondContact N-O 2.78Å
921	T	87.2	Confident	80.3	Confident	84 Å²	84	56.7 Å²	56.7	52%	0.515	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14	-169.3	57.7	0	0	0	0	114.5	Y899	Y899-T921 PolarHBondContact N-O 2.94Å; Y899-T921 WeakPolarHBondContact O-CA 3.39Å; Y899-T921 WeakPolarHBondContact O-CB 3.37Å; Y899-T921 WeakPolarHBondContact O-CG2 3.29Å
922	S	84.8	Confident	81.2	Confident	88 Å²	88	51.2 Å²	51.2	62%	0.615	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-9.6	-178.1	61.9	0	0	0	0	115.2	N920	N920-S922 VanDerWaalsContact C-N 3.26Å; N920-S922 PolarHBondContact O-N 3.19Å; N920-S922 PolarHBondContact OD1-OG 3.03Å
923	N	84	Confident	81.7	Confident	65 Å²	65	53 Å²	53	35%	0.348	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	7	-179.5	80.6	-11.6	0	0	0	114.8	I883 N920 Q925	I883-N923 WeakPolarHBondContact CG2-O 3.37Å; N920-N923 VanDerWaalsContact CB-OD1 3.27Å; N920-N923 WeakPolarHBondContact CB-OD1 3.16Å; N920-N923 VanDerWaalsContact CG-OD1 3.3Å; N920-N923 PolarHBondContact ND2-ND2 2.94Å; N920-N923 PolarHBondContact ND2-OD1 3.05Å; N923-Q925 PolarHBondContact O-N 2.9Å; N923-Q925 VanDerWaalsContact O-N 3.14Å; N923-Q925 WeakPolarHBondContact OD1-CB 3.25Å; N923-Q925 PolarHBondContact OD1-N 3.17Å
924	G	82.3	Confident	81.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.315	C	S	.	.			trans	68.4	7.1	177.1	0	0	0	0	0	115.9	V884 N920	V884-G924 PolarHBondContact N-O 2.88Å; N920-G924 PolarHBondContact O-N 2.93Å; N920-G924 VanDerWaalsContact O-N 3.15Å
925	Q	85.2	Confident	82.1	Confident	58 Å²	58	61.8 Å²	61.8	27%	0.271	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.7	-177.7	-175.8	175.4	26.5	0	0	112.1	C880 I883 M919 N920 N923 I927	C880-Q925 PolarHBondContact SG-NE2 3.3Å; I883-Q925 HydrophobicContact CG1-CB 4.1Å; I883-Q925 HydrophobicContact CG1-CG 3.97Å; M919-Q925 CarbonylContact C-O 3.49Å; M919-Q925 VanDerWaalsContact CA-O 3.27Å; M919-Q925 WeakPolarHBondContact CA-O 3.12Å; N920-Q925 HydrophobicContact CB-CB 4.45Å; N920-Q925 PolarHBondContact N-O 2.78Å; N923-Q925 PolarHBondContact O-N 2.9Å; N923-Q925 VanDerWaalsContact O-N 3.14Å; N923-Q925 WeakPolarHBondContact OD1-CB 3.25Å; N923-Q925 PolarHBondContact OD1-N 3.17Å; Q925-I927 HydrophobicContact CG-CG2 3.86Å
926	V	84.1	Confident	82	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.3	174.9	-177.4	0	0	0	0	109.8	I881 F882 I901 L917 K918 M919	I881-V926 HydrophobicContact CD1-CG1 4.4Å; I881-V926 PolarHBondContact N-O 2.99Å; F882-V926 HydrophobicContact CD1-CB 4.12Å; F882-V926 HydrophobicContact CD1-CG1 4.49Å; F882-V926 HydrophobicContact CD2-CB 4.39Å; F882-V926 HydrophobicContact CD2-CG2 4.18Å; F882-V926 HydrophobicContact CE1-CB 3.91Å; F882-V926 HydrophobicContact CE1-CG1 3.97Å; F882-V926 HydrophobicContact CE1-CG2 4.15Å; F882-V926 HydrophobicContact CE2-CB 4.2Å; F882-V926 HydrophobicContact CE2-CG2 3.67Å; F882-V926 HydrophobicContact CG-CB 4.37Å; F882-V926 HydrophobicContact CZ-CB 3.96Å; F882-V926 HydrophobicContact CZ-CG1 4.21Å; F882-V926 HydrophobicContact CZ-CG2 3.66Å; F882-V926 PolarHBondContact N-O 2.98Å; F882-V926 PolarHBondContact O-N 2.83Å; I901-V926 HydrophobicContact CD1-CG1 4.39Å; I901-V926 HydrophobicContact CG2-CG2 4.09Å; L917-V926 HydrophobicContact CD2-CG1 4.35Å; K918-V926 WeakPolarHBondContact O-CA 3.17Å; M919-V926 HydrophobicContact CB-CG2 4.15Å; M919-V926 HydrophobicContact CE-CG2 4.05Å; M919-V926 HydrophobicContact CG-CG2 3.94Å
927	I	84.6	Confident	81.6	Confident	46 Å²	46	62 Å²	62	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.1	-178.2	70.6	175.4	0	0	0	112.4	Y879 K918 Q925 N929	Y879-I927 CarbonylContact O-C 3.49Å; Y879-I927 WeakPolarHBondContact O-CA 3.2Å; K918-I927 HydrophobicContact CB-CG1 3.99Å; K918-I927 PolarHBondContact N-O 3.42Å; K918-I927 PolarHBondContact O-N 3.02Å; Q925-I927 HydrophobicContact CG-CG2 3.86Å; I927-N929 PolarHBondContact O-N 2.71Å
928	L	83.4	Confident	81.1	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	109.3	172.9	-174.9	56.8	0	0	0	110	L871 E875 P877 G878 Y879 I881 A916 R930 L932	L871-L928 HydrophobicContact CD1-CD2 4.36Å; L871-L928 HydrophobicContact CD2-CD1 4.04Å; E875-L928 HydrophobicContact CB-CD2 3.64Å; P877-L928 CarbonylContact C-O 3.55Å; P877-L928 WeakPolarHBondContact CA-O 3.27Å; G878-L928 PolarHBondContact N-O 3.09Å; Y879-L928 PolarHBondContact O-N 2.93Å; I881-L928 HydrophobicContact CD1-CB 4.07Å; I881-L928 HydrophobicContact CG1-CB 4.23Å; A916-L928 HydrophobicContact CB-CD1 4.27Å; A916-L928 CarbonylContact O-C 3.53Å; A916-L928 WeakPolarHBondContact O-CA 3.15Å; A916-L928 WeakPolarHBondContact O-CD1 3.36Å; L928-R930 WeakPolarHBondContact CD1-O 3.19Å; L928-R930 WeakPolarHBondContact CG-O 3.22Å; L928-L932 HydrophobicContact CD1-CD2 4.23Å; L928-L932 HydrophobicContact CD1-CG 4.31Å
929	N	84.9	Confident	80.4	Confident	87 Å²	87	65.3 Å²	65.3	47%	0.465	36%	0.359	S	S	.	.			trans	-76.6	-29.1	-175.6	-170.3	50.2	0	0	0	112.9	D915 A916 K918 I927	D915-N929 PolarHBondContact O-ND2 3.39Å; A916-N929 PolarHBondContact O-N 3.03Å; K918-N929 HydrophobicContact CB-CB 4.2Å; I927-N929 PolarHBondContact O-N 2.71Å
930	R	84.2	Confident	79.8	Confident	73 Å²	73	67.6 Å²	67.6	28%	0.275	37%	0.367	S	S	.	.	S	Bend	trans	-151.2	160.8	174.6	59.4	166.6	-175.4	81.4	-1.3	110.7	T912 A916 L928 E936	T912-R930 VanDerWaalsContact C-NH2 3.35Å; T912-R930 PolarHBondContact O-NH2 2.86Å; A916-R930 HydrophobicContact CB-CG 3.95Å; L928-R930 WeakPolarHBondContact CD1-O 3.19Å; L928-R930 WeakPolarHBondContact CG-O 3.22Å; R930-E936 IonicContact CZ-OE1 2.76Å; R930-E936 IonicContact CZ-OE2 2.78Å; R930-E936 IonicContact NH1-OE1 3.65Å; R930-E936 IonicContact NH1-OE2 3.45Å; R930-E936 PolarHBondContact NH1-OE2 3.21Å; R930-E936 IonicContact NH2-OE1 2.56Å; R930-E936 PolarHBondContact NH2-OE1 2.82Å; R930-E936 IonicContact NH2-OE2 3.94Å; R930-E936 PolarHBondContact NH2-OE2 3.44Å
931	S	79.8	Confident	79	Confident	57 Å²	57	68.1 Å²	68.1	40%	0.399	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-61.1	151.5	171.7	-68.6	0	0	0	0	111.7	E875	E875-S931 PolarHBondContact O-OG 3.45Å
932	L	79.2	Confident	78.5	Confident	31 Å²	31	66.6 Å²	66.6	16%	0.162	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-87	140.9	179.7	-61.5	174.2	0	0	0	111	L871 I873 A916 L928 E936	L871-L932 HydrophobicContact CD2-CD1 3.88Å; L871-L932 HydrophobicContact CG-CD1 4.03Å; I873-L932 HydrophobicContact CG1-CB 4.22Å; I873-L932 WeakPolarHBondContact CG1-O 3.2Å; A916-L932 HydrophobicContact CB-CD2 4.03Å; L928-L932 HydrophobicContact CD1-CD2 4.23Å; L928-L932 HydrophobicContact CD1-CG 4.31Å; L932-E936 WeakPolarHBondContact CA-OE2 2.93Å; L932-E936 HydrophobicContact CB-CB 4.4Å; L932-E936 HydrophobicContact CD2-CB 4.43Å
933	D	75.5	Confident	78.2	Confident	98 Å²	98	62.7 Å²	62.7	52%	0.524	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-80.8	159.7	171	-81.7	-38.1	0	0	0	112	N935 E936	D933-N935 HydrophobicContact CB-CB 4.43Å; D933-N935 PolarHBondContact O-N 3.49Å; D933-E936 HydrophobicContact CB-CG 4.1Å; D933-E936 PolarHBondContact N-OE2 3.28Å; D933-E936 WeakPolarHBondContact O-CB 3.37Å; D933-E936 PolarHBondContact O-N 2.9Å
934	H	74.4	Confident	78.1	Confident	153 Å²	153	59.9 Å²	59.9	71%	0.708	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-58.2	-22.6	170.2	-81.5	-61.1	0	0	0	113.2	I873 E936	I873-H934 HydrophobicContact CD1-CB 4.35Å; I873-H934 WeakPolarHBondContact CD1-ND1 3.38Å; H934-E936 VanDerWaalsContact C-N 3.26Å; H934-E936 PolarHBondContact O-N 2.9Å
935	N	73.5	Confident	78.3	Confident	120 Å²	120	61.6 Å²	61.6	64%	0.642	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-72.4	-18.1	174.1	-66.8	-32.7	0	0	0	113	K909 D933	K909-N935 VanDerWaalsContact CD-O 3.28Å; K909-N935 WeakPolarHBondContact CD-O 3.01Å; K909-N935 WeakPolarHBondContact CE-O 3.4Å; K909-N935 PolarHBondContact NZ-O 2.95Å; D933-N935 HydrophobicContact CB-CB 4.43Å; D933-N935 PolarHBondContact O-N 3.49Å
936	E	73.8	Confident	78.4	Confident	7 Å²	7	58.9 Å²	58.9	3%	0.033	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-94.9	-6.3	-169.8	-67.2	-169.8	120.5	0	0	113.5	T912 I913 R930 L932 D933 H934 G938 Y940	T912-E936 WeakPolarHBondContact CB-OE1 3.23Å; T912-E936 PolarHBondContact OG1-OE1 2.93Å; I913-E936 HydrophobicContact CD1-CB 3.62Å; I913-E936 HydrophobicContact CD1-CG 3.77Å; R930-E936 IonicContact CZ-OE1 2.76Å; R930-E936 IonicContact CZ-OE2 2.78Å; R930-E936 IonicContact NH1-OE1 3.65Å; R930-E936 IonicContact NH1-OE2 3.45Å; R930-E936 PolarHBondContact NH1-OE2 3.21Å; R930-E936 IonicContact NH2-OE1 2.56Å; R930-E936 PolarHBondContact NH2-OE1 2.82Å; R930-E936 IonicContact NH2-OE2 3.94Å; R930-E936 PolarHBondContact NH2-OE2 3.44Å; L932-E936 WeakPolarHBondContact CA-OE2 2.93Å; L932-E936 HydrophobicContact CB-CB 4.4Å; L932-E936 HydrophobicContact CD2-CB 4.43Å; D933-E936 HydrophobicContact CB-CG 4.1Å; D933-E936 PolarHBondContact N-OE2 3.28Å; D933-E936 WeakPolarHBondContact O-CB 3.37Å; D933-E936 PolarHBondContact O-N 2.9Å; H934-E936 VanDerWaalsContact C-N 3.26Å; H934-E936 PolarHBondContact O-N 2.9Å; E936-G938 PolarHBondContact O-N 3.07Å; E936-Y940 VanDerWaalsContact O-CE2 3.31Å; E936-Y940 WeakPolarHBondContact O-CE2 3.49Å; E936-Y940 PolarHBondContact O-OH 3.46Å
937	I	71.2	Confident	78.7	Confident	107 Å²	107	62.8 Å²	62.8	55%	0.549	33%	0.325	S	S	.	.			trans	-58.7	119	172.2	-56.4	173.2	0	0	0	109.6	I873 K909	I873-I937 HydrophobicContact CD1-CD1 4.12Å; I873-I937 HydrophobicContact CD1-CG1 4.24Å; K909-I937 PolarHBondContact NZ-O 2.89Å
938	G	72.6	Confident	78.9	Confident	44 Å²	44	60.7 Å²	60.7	45%	0.454	31%	0.314	S	S	.	.	S	Bend	trans	175.4	176.9	-176.5	0	0	0	0	0	111.6	E936 Y940	E936-G938 PolarHBondContact O-N 3.07Å; G938-Y940 WeakPolarHBondContact O-CE2 3.28Å
939	N	70.9	Confident	79	Confident	166 Å²	166	61.6 Å²	61.6	89%	0.888	32%	0.321	S	S	*	.			trans	-102.4	132.4	173.1	-65.2	2	0	0	0	109
940	Y	72.5	Confident	78.8	Confident	70 Å²	70	57.7 Å²	57.7	28%	0.275	30%	0.301	S	S	.	.			trans	-124.4	140.3	-177.8	-58.4	-85.8	0	0	0	109.9	A910 I913 E936 G938	A910-Y940 HydrophobicContact CB-CD1 4.04Å; A910-Y940 HydrophobicContact CB-CE1 3.95Å; I913-Y940 HydrophobicContact CB-CD1 4.23Å; I913-Y940 HydrophobicContact CB-CE1 4.15Å; I913-Y940 HydrophobicContact CD1-CE1 3.75Å; I913-Y940 HydrophobicContact CD1-CE2 3.91Å; I913-Y940 VanDerWaalsContact CD1-OH 3.25Å; I913-Y940 WeakPolarHBondContact CD1-OH 3.19Å; I913-Y940 HydrophobicContact CG1-CD1 4.18Å; I913-Y940 HydrophobicContact CG1-CD2 4.11Å; I913-Y940 HydrophobicContact CG1-CE1 3.81Å; I913-Y940 HydrophobicContact CG1-CE2 3.73Å; I913-Y940 HydrophobicContact CG1-CG 4.34Å; I913-Y940 HydrophobicContact CG2-CD1 4.14Å; I913-Y940 HydrophobicContact CG2-CD2 4.49Å; I913-Y940 HydrophobicContact CG2-CG 4.14Å; E936-Y940 VanDerWaalsContact O-CE2 3.31Å; E936-Y940 WeakPolarHBondContact O-CE2 3.49Å; E936-Y940 PolarHBondContact O-OH 3.46Å; G938-Y940 WeakPolarHBondContact O-CE2 3.28Å
941	K	71.9	Confident	78.6	Confident	76 Å²	76	61.6 Å²	61.6	33%	0.33	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.1	177.5	-179	176.8	171.5	-177.7	0	108.8	L903 E904 D960	L903-K941 WeakPolarHBondContact CA-O 3.48Å; L903-K941 WeakPolarHBondContact CD2-O 3.09Å; E904-K941 PolarHBondContact N-O 3.4Å; E904-K941 VanDerWaalsContact N-O 3.1Å; E904-K941 IonicContact OE2-NZ 2.9Å; E904-K941 PolarHBondContact OE2-NZ 2.83Å; K941-D960 IonicContact NZ-OD2 3.95Å; K941-D960 PolarHBondContact NZ-OD2 2.96Å
942	I	75.4	Confident	78.7	Confident	51 Å²	51	63.2 Å²	63.2	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.6	176.6	-58.6	163.7	0	0	0	108.3	F882 I901 T902 L903 L917 V944	F882-I942 HydrophobicContact CE1-CD1 3.75Å; F882-I942 HydrophobicContact CZ-CD1 3.9Å; F882-I942 HydrophobicContact CZ-CG2 4.35Å; I901-I942 HydrophobicContact CB-CG2 4.01Å; I901-I942 HydrophobicContact CG2-CG2 3.87Å; T902-I942 WeakPolarHBondContact O-CA 3.34Å; L903-I942 HydrophobicContact CD2-CB 4.36Å; L903-I942 HydrophobicContact CD2-CG1 3.52Å; L917-I942 HydrophobicContact CD1-CD1 3.84Å; L917-I942 HydrophobicContact CD1-CG1 4.22Å; I942-V944 HydrophobicContact CG2-CG2 4.34Å
943	T	79.4	Confident	79	Confident	6 Å²	6	67.2 Å²	67.2	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.2	167	-71.9	0	0	0	0	108.7	I901 T902 I957 E959	I901-T943 WeakPolarHBondContact CA-O 3.35Å; T902-T943 PolarHBondContact N-O 2.98Å; T902-T943 PolarHBondContact O-N 3.18Å; T902-T943 WeakPolarHBondContact OG1-CB 3.35Å; T943-I957 HydrophobicContact CG2-CG2 4.06Å; T943-E959 HydrophobicContact CG2-CG 3.76Å
944	V	80.6	Confident	79.4	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.2	179.5	-173.2	0	0	0	0	110.2	V884 N900 I901 M919 I942 I958	V884-V944 HydrophobicContact CG1-CG1 4.13Å; V884-V944 HydrophobicContact CG2-CG1 4.17Å; V884-V944 HydrophobicContact CG2-CG2 4.1Å; N900-V944 WeakPolarHBondContact O-CA 3.18Å; N900-V944 WeakPolarHBondContact O-CG1 3.47Å; I901-V944 HydrophobicContact CG2-CG2 4.25Å; M919-V944 HydrophobicContact CE-CG1 3.74Å; I942-V944 HydrophobicContact CG2-CG2 4.34Å; V944-I958 HydrophobicContact CB-CB 4.24Å; V944-I958 HydrophobicContact CB-CD1 4.11Å; V944-I958 HydrophobicContact CG1-CD1 4.21Å; V944-I958 PolarHBondContact O-N 2.75Å
945	I	86.2	Confident	79.8	Confident	36 Å²	36	61.2 Å²	61.2	19%	0.185	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.6	176.1	-55.7	171.3	0	0	0	108	Y899 N900 K947 I957	Y899-I945 CarbonylContact C-O 3.58Å; Y899-I945 WeakPolarHBondContact CA-O 3.48Å; N900-I945 PolarHBondContact N-O 2.75Å; N900-I945 PolarHBondContact O-N 2.87Å; I945-K947 HydrophobicContact CG2-CG 4.17Å; I945-I957 HydrophobicContact CG1-CG1 4.48Å
946	V	88.5	Confident	80.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.6	171.5	-169	0	0	0	0	108.2	P824 A886 L897 Q898 Y899 E955 L956 I958	P824-V946 HydrophobicContact CB-CG1 4.28Å; A886-V946 HydrophobicContact CB-CB 4.48Å; A886-V946 HydrophobicContact CB-CG1 3.98Å; A886-V946 HydrophobicContact CB-CG2 4.13Å; L897-V946 HydrophobicContact CB-CG1 4.15Å; L897-V946 HydrophobicContact CD1-CG1 4.17Å; L897-V946 HydrophobicContact CD2-CG1 4.11Å; L897-V946 HydrophobicContact CG-CG1 4.38Å; Q898-V946 CarbonylContact O-C 3.56Å; Q898-V946 VanDerWaalsContact O-CA 3.27Å; Q898-V946 WeakPolarHBondContact O-CA 3.46Å; Y899-V946 HydrophobicContact CD1-CG1 4.33Å; Y899-V946 HydrophobicContact CD1-CG2 3.71Å; Y899-V946 HydrophobicContact CE1-CG1 4.18Å; Y899-V946 HydrophobicContact CE1-CG2 3.84Å; V946-E955 WeakPolarHBondContact O-CA 3.5Å; V946-L956 HydrophobicContact CB-CB 4.35Å; V946-L956 HydrophobicContact CB-CD2 4.5Å; V946-L956 PolarHBondContact N-O 2.97Å; V946-L956 PolarHBondContact O-N 2.88Å; V946-L956 VanDerWaalsContact O-O 3.13Å; V946-I958 HydrophobicContact CG2-CD1 4.19Å
947	K	89.5	Confident	80.5	Confident	82 Å²	82	59.9 Å²	59.9	36%	0.357	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.5	175.3	-46	-162.1	-176.5	-152.6	0	110.5	L897 Q898 I945 I953 I954 E955	L897-K947 CarbonylContact C-O 3.56Å; L897-K947 VanDerWaalsContact CA-O 3.26Å; L897-K947 WeakPolarHBondContact CA-O 3.23Å; Q898-K947 PolarHBondContact N-O 2.81Å; Q898-K947 PolarHBondContact O-N 3.42Å; I945-K947 HydrophobicContact CG2-CG 4.17Å; K947-I953 HydrophobicContact CB-CG2 4.32Å; K947-I954 WeakPolarHBondContact CA-O 3.32Å; K947-E955 HydrophobicContact CB-CB 4.44Å; K947-E955 HydrophobicContact CD-CB 4.01Å; K947-E955 WeakPolarHBondContact CE-OE2 3.38Å; K947-E955 HydrophobicContact CG-CB 3.81Å; K947-E955 IonicContact NZ-OE2 3.81Å; K947-E955 PolarHBondContact NZ-OE2 3.45Å
948	D	88.5	Confident	80.4	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.011	30%	0.302	C	S	.	.			trans	-73.5	-169.1	165.2	71.4	42.7	0	0	0	112.4	N820 P824 N894 L896 G950 I953 I954	N820-D948 PolarHBondContact ND2-OD2 3Å; P824-D948 HydrophobicContact CG-CB 4.31Å; N894-D948 VanDerWaalsContact O-CB 3.26Å; N894-D948 WeakPolarHBondContact O-CB 3.46Å; L896-D948 CarbonylContact O-C 3.58Å; L896-D948 VanDerWaalsContact O-C 3.23Å; D948-G950 PolarHBondContact OD1-N 2.91Å; D948-I953 VanDerWaalsContact OD1-CA 3.26Å; D948-I953 WeakPolarHBondContact OD1-CA 3.32Å; D948-I953 WeakPolarHBondContact OD1-CG2 3.39Å; D948-I954 VanDerWaalsContact CG-N 3.33Å; D948-I954 PolarHBondContact N-O 2.81Å; D948-I954 VanDerWaalsContact N-O 3.07Å; D948-I954 PolarHBondContact OD1-N 2.97Å; D948-I954 VanDerWaalsContact OD2-CA 3.31Å; D948-I954 WeakPolarHBondContact OD2-CA 3.46Å; D948-I954 WeakPolarHBondContact OD2-CB 3.21Å; D948-I954 PolarHBondContact OD2-N 3.49Å
949	S	86.4	Confident	79.7	Confident	21 Å²	21	60.1 Å²	60.1	15%	0.147	31%	0.305	C	S	.	.			trans	-131.1	23	170	-52.3	0	0	0	0	113.8	M893 L896 Q898	M893-S949 CarbonylContact O-C 3.53Å; L896-S949 PolarHBondContact O-N 3.25Å; L896-S949 VanDerWaalsContact O-N 3.15Å; L896-S949 PolarHBondContact O-OG 2.86Å; Q898-S949 PolarHBondContact NE2-OG 2.65Å
950	G	80.6	Confident	78.4	Confident	4 Å²	4	56.8 Å²	56.8	4%	0.041	29%	0.287	C	S	.	.	S	Bend	trans	-95.5	-159.4	-176.2	0	0	0	0	0	114.3	N820 M893 D948 I953	N820-G950 VanDerWaalsContact OD1-CA 3.26Å; N820-G950 WeakPolarHBondContact OD1-CA 3.4Å; M893-G950 PolarHBondContact O-N 3.23Å; D948-G950 PolarHBondContact OD1-N 2.91Å; G950-I953 WeakPolarHBondContact O-CG1 3.29Å
951	I	79.1	Confident	76.4	Confident	156 Å²	156	58.7 Å²	58.7	80%	0.8	31%	0.307	S	S	*	.	S	Bend	trans	-136.5	110.7	-177.7	-57.3	-179.5	0	0	0	109.4
952	P	82.9	Confident	74.3	Confident	90 Å²	90	61 Å²	61	58%	0.584	33%	0.33	S	S	*	.	S	Bend	cis	-76.6	148.5	0.1	33.7	-35.4	0	0	0	112.6	N820 I954	N820-P952 PolarHBondContact ND2-O 3.49Å; N820-P952 VanDerWaalsContact ND2-O 3.12Å; P952-I954 PolarHBondContact O-N 3.07Å
953	I	84.9	Confident	72.1	Confident	116 Å²	116	63.6 Å²	63.6	60%	0.595	36%	0.358	S	S	*	.			trans	-67.7	127.3	177	-58.7	172.1	0	0	0	111	K947 D948 G950	K947-I953 HydrophobicContact CB-CG2 4.32Å; D948-I953 VanDerWaalsContact OD1-CA 3.26Å; D948-I953 WeakPolarHBondContact OD1-CA 3.32Å; D948-I953 WeakPolarHBondContact OD1-CG2 3.39Å; G950-I953 WeakPolarHBondContact O-CG1 3.29Å
954	I	84.1	Confident	69.7	Low	40 Å²	40	75.2 Å²	75.2	21%	0.205	40%	0.401	C	S	.	.			trans	-111.6	138.3	179.2	-55.9	171.2	0	0	0	110.4	N820 N822 K823 K947 D948 P952	N820-I954 WeakPolarHBondContact ND2-CD1 2.96Å; N822-I954 WeakPolarHBondContact O-CD1 3.49Å; K823-I954 HydrophobicContact CB-CG2 3.78Å; K823-I954 HydrophobicContact CD-CG2 3.83Å; K823-I954 HydrophobicContact CG-CG2 3.73Å; K947-I954 WeakPolarHBondContact CA-O 3.32Å; D948-I954 VanDerWaalsContact CG-N 3.33Å; D948-I954 PolarHBondContact N-O 2.81Å; D948-I954 VanDerWaalsContact N-O 3.07Å; D948-I954 PolarHBondContact OD1-N 2.97Å; D948-I954 VanDerWaalsContact OD2-CA 3.31Å; D948-I954 WeakPolarHBondContact OD2-CA 3.46Å; D948-I954 WeakPolarHBondContact OD2-CB 3.21Å; D948-I954 PolarHBondContact OD2-N 3.49Å; P952-I954 PolarHBondContact O-N 3.07Å
955	E	83.8	Confident	67.1	Low	85 Å²	85	77.8 Å²	77.8	40%	0.397	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.6	-175.7	65.4	178.8	-161.6	0	0	113.6	K823 V946 K947	K823-E955 VanDerWaalsContact CE-O 3.25Å; K823-E955 WeakPolarHBondContact CE-O 3.39Å; K823-E955 PolarHBondContact NZ-O 3.45Å; V946-E955 WeakPolarHBondContact O-CA 3.5Å; K947-E955 HydrophobicContact CB-CB 4.44Å; K947-E955 HydrophobicContact CD-CB 4.01Å; K947-E955 WeakPolarHBondContact CE-OE2 3.38Å; K947-E955 HydrophobicContact CG-CB 3.81Å; K947-E955 IonicContact NZ-OE2 3.81Å; K947-E955 PolarHBondContact NZ-OE2 3.45Å
956	L	82.4	Confident	64.4	Low	28 Å²	28	83.1 Å²	83.1	15%	0.147	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.1	170.3	175.7	73.2	0	0	0	109.4	P824 F826 V946 I958	P824-L956 HydrophobicContact CB-CB 4.01Å; P824-L956 WeakPolarHBondContact O-CB 3.33Å; P824-L956 WeakPolarHBondContact O-CD2 3.46Å; F826-L956 HydrophobicContact CB-CD2 4.01Å; V946-L956 HydrophobicContact CB-CB 4.35Å; V946-L956 HydrophobicContact CB-CD2 4.5Å; V946-L956 PolarHBondContact N-O 2.97Å; V946-L956 PolarHBondContact O-N 2.88Å; V946-L956 VanDerWaalsContact O-O 3.13Å; L956-I958 HydrophobicContact CD2-CD1 4.4Å; L956-I958 HydrophobicContact CD2-CG1 4.13Å; L956-I958 HydrophobicContact CG-CG1 4.26Å
957	I	79.3	Confident	61.5	Low	71 Å²	71	94.7 Å²	94.7	36%	0.364	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.6	171.8	-56	177.3	0	0	0	107.6	T943 I945 E959	T943-I957 HydrophobicContact CG2-CG2 4.06Å; I945-I957 HydrophobicContact CG1-CG1 4.48Å; I957-E959 HydrophobicContact CG2-CB 4.1Å; I957-E959 HydrophobicContact CG2-CG 3.74Å; I957-E959 WeakPolarHBondContact CG2-OE1 3.42Å; I957-E959 PolarHBondContact O-N 2.8Å
958	I	69	Low	58.5	Low	42 Å²	42	98.6 Å²	98.6	22%	0.215	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	86.9	179.9	-58.1	169.2	0	0	0	107	F826 V884 V944 V946 L956	F826-I958 HydrophobicContact CB-CD1 4.27Å; F826-I958 HydrophobicContact CB-CG1 4.46Å; F826-I958 HydrophobicContact CD2-CD1 3.52Å; F826-I958 HydrophobicContact CD2-CG1 4.39Å; F826-I958 HydrophobicContact CE2-CD1 4.07Å; F826-I958 HydrophobicContact CG-CD1 4.1Å; V884-I958 HydrophobicContact CG1-CD1 3.99Å; V944-I958 HydrophobicContact CB-CB 4.24Å; V944-I958 HydrophobicContact CB-CD1 4.11Å; V944-I958 HydrophobicContact CG1-CD1 4.21Å; V944-I958 PolarHBondContact O-N 2.75Å; V946-I958 HydrophobicContact CG2-CD1 4.19Å; L956-I958 HydrophobicContact CD2-CD1 4.4Å; L956-I958 HydrophobicContact CD2-CG1 4.13Å; L956-I958 HydrophobicContact CG-CG1 4.26Å
959	E	57.5	Low	55.6	Low	114 Å²	114	107 Å²	107	53%	0.533	57%	0.57	S	S	.	*			trans	-121.9	151.6	-174	-102.1	178.3	-150.7	0	0	114.4	T943 I957 T961	T943-E959 HydrophobicContact CG2-CG 3.76Å; I957-E959 HydrophobicContact CG2-CB 4.1Å; I957-E959 HydrophobicContact CG2-CG 3.74Å; I957-E959 WeakPolarHBondContact CG2-OE1 3.42Å; I957-E959 PolarHBondContact O-N 2.8Å; E959-T961 PolarHBondContact O-N 2.83Å
960	D	42.9	Very low	52.7	Low	95 Å²	95	109.6 Å²	109.6	51%	0.508	59%	0.588	S	S	.	*			trans	-74.8	76.9	-175	177.7	28.3	0	0	0	111.9	K941	K941-D960 IonicContact NZ-OD2 3.95Å; K941-D960 PolarHBondContact NZ-OD2 2.96Å
961	T	30.8	Very low	50.2	Low	111 Å²	111	116.7 Å²	116.7	68%	0.681	63%	0.625	S	S	*	*			trans	-128.7	125.3	177.9	56.8	0	0	0	0	113	E959 A963	E959-T961 PolarHBondContact O-N 2.83Å; T961-A963 PolarHBondContact O-N 2.89Å
962	P	29.5	Very low	47.7	Very low	125 Å²	125	117.6 Å²	117.6	81%	0.812	63%	0.63	S	S	*	*			trans	-82.1	105.3	-177.9	30.8	-33.6	0	0	0	111.8	R964	P962-R964 PolarHBondContact O-N 3.29Å
963	A	28	Very low	45	Very low	105 Å²	105	119.8 Å²	119.8	87%	0.868	64%	0.635	S	S	*	*			trans	-66.8	82	-179.6	0	0	0	0	0	113.4	T961 G965	T961-A963 PolarHBondContact O-N 2.89Å; A963-G965 PolarHBondContact O-N 3.3Å
964	R	29.2	Very low	42.2	Very low	249 Å²	249	122.1 Å²	122.1	94%	0.94	64%	0.644	S	S	*	*			trans	-76.3	102.4	173.3	-159.3	178	-164.3	174	5	109.4	P962	P962-R964 PolarHBondContact O-N 3.29Å
965	G	27	Very low	39.3	Very low	61 Å²	61	128.3 Å²	128.3	63%	0.629	67%	0.672	S	S	*	*			trans	-71	153.9	-166.2	0	0	0	0	0	116.2	A963	A963-G965 PolarHBondContact O-N 3.3Å
966	N	28.6	Very low	36.9	Very low	148 Å²	148	131.7 Å²	131.7	79%	0.791	69%	0.687	S	S	*	*			trans	-173.5	76	136.2	-98.3	-8.5	0	0	0	111.6
967	W	27.4	Very low	34.3	Very low	243 Å²	243	136.3 Å²	136.3	92%	0.92	71%	0.712	S	S	*	*			trans	-135.7	69	164	-71.4	107.6	0	0	0	109.3
968	L	27	Very low	31.8	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	73%	0.728	S	S	*	*			trans	-126.6	57.5	-173.8	-113.8	175.7	0	0	0	111.2
969	L	28.2	Very low	29.9	Very low	179 Å²	179	143.8 Å²	143.8	94%	0.937	75%	0.75	S	S	*	*	S	Bend	trans	-175.8	62	157.8	-105.2	158.2	0	0	0	111.3
970	S	23.7	Very low	28.5	Very low	75 Å²	75	146.7 Å²	146.7	52%	0.524	76%	0.764	S	S	.	*			trans	-148.1	89.2	172.2	56.8	0	0	0	0	110.1
971	N	29.3	Very low	28.1	Very low	154 Å²	154	149.3 Å²	149.3	82%	0.824	78%	0.778	S	S	*	*	S	Bend	trans	-155.4	145.6	165	-94.6	-33.1	0	0	0	108.4	I973	N971-I973 PolarHBondContact O-N 2.93Å
972	I	25.9	Very low	28.2	Very low	175 Å²	175	148 Å²	148	90%	0.897	77%	0.77	S	S	*	*	S	Bend	trans	67.8	-28.8	-175.3	-54.5	178.3	0	0	0	116
973	I	27.6	Very low	28.5	Very low	135 Å²	135	147.4 Å²	147.4	69%	0.692	76%	0.759	S	S	*	*	S	Bend	trans	-131	129.9	-173.4	-54.4	-178.9	0	0	0	113.1	N971	N971-I973 PolarHBondContact O-N 2.93Å
974	Q	24.9	Very low	29.2	Very low	166 Å²	166	147.7 Å²	147.7	78%	0.776	74%	0.744	S	S	*	*			trans	68.8	68.3	174.2	-71.7	-175.2	11.6	0	0	119
975	Q	24.2	Very low	29.9	Very low	170 Å²	170	141.1 Å²	141.1	79%	0.794	72%	0.724	S	S	*	*			trans	-111.9	152.1	133.8	-82.3	-172.3	1.9	0	0	108.8
976	H	32.5	Very low	30.8	Very low	155 Å²	155	141.6 Å²	141.6	72%	0.718	72%	0.718	S	S	*	*			cis	-131.2	88.9	-4.2	-121.3	-58.8	0	0	0	109.3	T978	H976-T978 PolarHBondContact CE1-OG1 3.09Å; H976-T978 PolarHBondContact O-N 3.32Å
977	N	28.1	Very low	31.8	Very low	126 Å²	126	141.7 Å²	141.7	67%	0.674	71%	0.708	S	S	*	*			trans	-80.9	43.3	-169	-154.9	10	0	0	0	114.4
978	T	26.2	Very low	32.8	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	69%	0.685	S	S	*	*			trans	-142.7	42.9	179	48.5	0	0	0	0	113.1	H976	H976-T978 PolarHBondContact CE1-OG1 3.09Å; H976-T978 PolarHBondContact O-N 3.32Å
979	K	29.3	Very low	34.1	Very low	155 Å²	155	132.2 Å²	132.2	67%	0.674	67%	0.671	S	S	*	*			trans	-145.9	36.2	159.9	-116.2	163.3	-168.6	174.9	0	115.7	N981	K979-N981 PolarHBondContact O-N 3.41Å
980	Q	29.2	Very low	35.3	Very low	176 Å²	176	130.2 Å²	130.2	82%	0.822	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	72.4	149	-75.1	-172.1	-21.2	0	0	109.8
981	N	33.3	Very low	37	Very low	150 Å²	150	130.7 Å²	130.7	80%	0.802	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	179.2	31.2	161	-93.7	-21.8	0	0	0	114	K979	K979-N981 PolarHBondContact O-N 3.41Å
982	T	33.4	Very low	38.5	Very low	84 Å²	84	128.1 Å²	128.1	52%	0.515	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.8	-22.1	166.9	47.9	0	0	0	0	115	I984	T982-I984 VanDerWaalsContact C-N 3.26Å; T982-I984 PolarHBondContact O-N 2.93Å
983	I	36.1	Very low	40.1	Very low	112 Å²	112	124.6 Å²	124.6	57%	0.574	62%	0.617	S	S	*	*	H	α-helix	trans	-73.9	-14.4	-175.4	-62.6	173.9	0	0	0	113	S986 Y987	I983-S986 PolarHBondContact O-OG 2.91Å; I983-Y987 HydrophobicContact CG2-CD2 3.92Å; I983-Y987 HydrophobicContact CG2-CE2 4.1Å
984	I	42.1	Very low	41.7	Very low	110 Å²	110	122.8 Å²	122.8	56%	0.564	61%	0.608	S	S	*	*	H	α-helix	trans	-83.3	-18.2	-173.8	-68.3	174.3	0	0	0	113.7	T982 K988	T982-I984 VanDerWaalsContact C-N 3.26Å; T982-I984 PolarHBondContact O-N 2.93Å; I984-K988 WeakPolarHBondContact O-CE 3.49Å; I984-K988 WeakPolarHBondContact O-CG 3.16Å
985	E	43.5	Very low	43.6	Very low	112 Å²	112	122.2 Å²	122.2	52%	0.523	60%	0.604	S	S	.	*	H	α-helix	trans	-97.2	-31.2	177.6	-63.9	-52.4	127	0	0	113.6	K988 I989	E985-K988 PolarHBondContact O-N 3.49Å; E985-K988 IonicContact OE1-NZ 3.53Å; E985-K988 PolarHBondContact OE1-NZ 3.2Å; E985-K988 IonicContact OE2-NZ 2.73Å; E985-K988 PolarHBondContact OE2-NZ 2.71Å; E985-I989 PolarHBondContact O-N 2.96Å
986	S	45.8	Very low	45.7	Very low	70 Å²	70	119 Å²	119	49%	0.49	59%	0.591	S	S	.	*	H	α-helix	trans	-67.5	-41.3	175.4	53.6	0	0	0	0	112.1	I983 K988 I989 F990	I983-S986 PolarHBondContact O-OG 2.91Å; S986-K988 VanDerWaalsContact C-N 3.3Å; S986-K988 PolarHBondContact O-N 3.46Å; S986-I989 PolarHBondContact O-N 3.3Å; S986-I989 VanDerWaalsContact O-N 3.16Å; S986-F990 PolarHBondContact O-N 2.91Å
987	Y	49.7	Very low	47.2	Very low	150 Å²	150	113.2 Å²	113.2	59%	0.588	57%	0.573	S	S	*	*	H	α-helix	trans	-65.3	-28.8	176.7	-94.1	-87.2	0	0	0	113.5	I983 I991	I983-Y987 HydrophobicContact CG2-CD2 3.92Å; I983-Y987 HydrophobicContact CG2-CE2 4.1Å; Y987-I991 VanDerWaalsContact O-CB 3.24Å; Y987-I991 WeakPolarHBondContact O-CB 3.16Å; Y987-I991 WeakPolarHBondContact O-CG1 3.41Å; Y987-I991 PolarHBondContact O-N 3.5Å
988	K	48	Very low	49.1	Very low	101 Å²	101	112.2 Å²	112.2	44%	0.439	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-43.7	171.5	-70.4	173.6	-170.3	169.2	0	111.3	I984 E985 S986 I992	I984-K988 WeakPolarHBondContact O-CE 3.49Å; I984-K988 WeakPolarHBondContact O-CG 3.16Å; E985-K988 PolarHBondContact O-N 3.49Å; E985-K988 IonicContact OE1-NZ 3.53Å; E985-K988 PolarHBondContact OE1-NZ 3.2Å; E985-K988 IonicContact OE2-NZ 2.73Å; E985-K988 PolarHBondContact OE2-NZ 2.71Å; S986-K988 VanDerWaalsContact C-N 3.3Å; S986-K988 PolarHBondContact O-N 3.46Å; K988-I992 VanDerWaalsContact O-CB 3.31Å; K988-I992 WeakPolarHBondContact O-CB 3.06Å; K988-I992 WeakPolarHBondContact O-CD1 3.37Å; K988-I992 WeakPolarHBondContact O-CG1 3.32Å; K988-I992 PolarHBondContact O-N 2.8Å
989	I	56	Low	51.2	Low	108 Å²	108	110.5 Å²	110.5	55%	0.554	56%	0.558	S	S	*	*	H	α-helix	trans	-67.3	-42.1	177.8	-64.9	172.4	0	0	0	110.4	E985 S986 I992 I993	E985-I989 PolarHBondContact O-N 2.96Å; S986-I989 PolarHBondContact O-N 3.3Å; S986-I989 VanDerWaalsContact O-N 3.16Å; I989-I992 PolarHBondContact O-N 3.43Å; I989-I993 HydrophobicContact CG2-CD1 3.81Å; I989-I993 HydrophobicContact CG2-CG1 4.46Å; I989-I993 WeakPolarHBondContact O-CB 3.49Å; I989-I993 VanDerWaalsContact O-CG1 3.31Å; I989-I993 WeakPolarHBondContact O-CG1 3.39Å; I989-I993 PolarHBondContact O-N 2.79Å
990	F	53.1	Low	53.1	Low	137 Å²	137	107 Å²	107	60%	0.601	55%	0.55	S	S	*	.	H	α-helix	trans	-66.4	-39.4	177.6	-139.6	-93.2	0	0	0	112.6	S986 I993 L994	S986-F990 PolarHBondContact O-N 2.91Å; F990-I993 PolarHBondContact O-N 3.44Å; F990-L994 HydrophobicContact CD1-CD1 3.95Å; F990-L994 HydrophobicContact CD1-CG 4.48Å; F990-L994 HydrophobicContact CE1-CD1 4.37Å; F990-L994 WeakPolarHBondContact O-CB 3.3Å; F990-L994 WeakPolarHBondContact O-CG 3.23Å; F990-L994 PolarHBondContact O-N 3.17Å
991	I	58.1	Low	55	Low	85 Å²	85	104.6 Å²	104.6	44%	0.436	54%	0.537	S	S	.	.	H	α-helix	trans	-67.9	-38.1	172.9	-71.1	170.9	0	0	0	111	Y987 L994 F995	Y987-I991 VanDerWaalsContact O-CB 3.24Å; Y987-I991 WeakPolarHBondContact O-CB 3.16Å; Y987-I991 WeakPolarHBondContact O-CG1 3.41Å; Y987-I991 PolarHBondContact O-N 3.5Å; I991-L994 PolarHBondContact O-N 3.43Å; I991-F995 HydrophobicContact CG2-CD2 3.71Å; I991-F995 HydrophobicContact CG2-CE2 3.99Å; I991-F995 WeakPolarHBondContact O-CB 3.44Å; I991-F995 WeakPolarHBondContact O-CD2 3.29Å; I991-F995 PolarHBondContact O-N 3.26Å
992	I	60.6	Low	57	Low	99 Å²	99	101.7 Å²	101.7	51%	0.508	52%	0.521	S	S	.	.	H	α-helix	trans	-65.7	-40.1	174.2	-74.3	165.9	0	0	0	111	K988 I989 F995 I996	K988-I992 VanDerWaalsContact O-CB 3.31Å; K988-I992 WeakPolarHBondContact O-CB 3.06Å; K988-I992 WeakPolarHBondContact O-CD1 3.37Å; K988-I992 WeakPolarHBondContact O-CG1 3.32Å; K988-I992 PolarHBondContact O-N 2.8Å; I989-I992 PolarHBondContact O-N 3.43Å; I992-F995 PolarHBondContact O-N 2.89Å; I992-I996 HydrophobicContact CG2-CD1 3.67Å; I992-I996 HydrophobicContact CG2-CG1 4.38Å; I992-I996 WeakPolarHBondContact O-CB 3.31Å; I992-I996 VanDerWaalsContact O-CG1 3.23Å; I992-I996 WeakPolarHBondContact O-CG1 3.2Å; I992-I996 PolarHBondContact O-N 3.46Å
993	I	61.4	Low	59	Low	102 Å²	102	99.5 Å²	99.5	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-39.8	174.9	-69.8	168.3	0	0	0	110.9	I989 F990 I996 G997	I989-I993 HydrophobicContact CG2-CD1 3.81Å; I989-I993 HydrophobicContact CG2-CG1 4.46Å; I989-I993 WeakPolarHBondContact O-CB 3.49Å; I989-I993 VanDerWaalsContact O-CG1 3.31Å; I989-I993 WeakPolarHBondContact O-CG1 3.39Å; I989-I993 PolarHBondContact O-N 2.79Å; F990-I993 PolarHBondContact O-N 3.44Å; I993-I996 PolarHBondContact O-N 2.84Å; I993-G997 PolarHBondContact O-N 3.23Å
994	L	60.3	Low	60.6	Low	96 Å²	96	98.2 Å²	98.2	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-38.8	172.5	-82.5	164.5	0	0	0	112.6	F990 I991 M998	F990-L994 HydrophobicContact CD1-CD1 3.95Å; F990-L994 HydrophobicContact CD1-CG 4.48Å; F990-L994 HydrophobicContact CE1-CD1 4.37Å; F990-L994 WeakPolarHBondContact O-CB 3.3Å; F990-L994 WeakPolarHBondContact O-CG 3.23Å; F990-L994 PolarHBondContact O-N 3.17Å; I991-L994 PolarHBondContact O-N 3.43Å; L994-M998 WeakPolarHBondContact O-CB 3.29Å; L994-M998 WeakPolarHBondContact O-CG 3.27Å; L994-M998 PolarHBondContact O-N 2.88Å
995	F	65.7	Low	62	Low	155 Å²	155	96.4 Å²	96.4	68%	0.68	50%	0.5	S	S	*	.	H	α-helix	trans	-72.8	-32.8	174.9	-94.8	-84.8	0	0	0	112.6	I991 I992 S999	I991-F995 HydrophobicContact CG2-CD2 3.71Å; I991-F995 HydrophobicContact CG2-CE2 3.99Å; I991-F995 WeakPolarHBondContact O-CB 3.44Å; I991-F995 WeakPolarHBondContact O-CD2 3.29Å; I991-F995 PolarHBondContact O-N 3.26Å; I992-F995 PolarHBondContact O-N 2.89Å; F995-S999 WeakPolarHBondContact O-CA 3.4Å; F995-S999 WeakPolarHBondContact O-CB 3.25Å; F995-S999 PolarHBondContact O-N 2.75Å
996	I	67.9	Low	63.5	Low	103 Å²	103	95.7 Å²	95.7	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-43.2	171.9	-71.1	168	0	0	0	110	I992 I993 S999 T1000	I992-I996 HydrophobicContact CG2-CD1 3.67Å; I992-I996 HydrophobicContact CG2-CG1 4.38Å; I992-I996 WeakPolarHBondContact O-CB 3.31Å; I992-I996 VanDerWaalsContact O-CG1 3.23Å; I992-I996 WeakPolarHBondContact O-CG1 3.2Å; I992-I996 PolarHBondContact O-N 3.46Å; I993-I996 PolarHBondContact O-N 2.84Å; I996-S999 PolarHBondContact O-N 2.9Å; I996-T1000 WeakPolarHBondContact O-CG2 3.42Å; I996-T1000 PolarHBondContact O-N 2.89Å; I996-T1000 PolarHBondContact O-OG1 2.9Å; I996-T1000 VanDerWaalsContact O-OG1 3.09Å
997	G	62.8	Low	64.8	Low	33 Å²	33	97 Å²	97	34%	0.34	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-43.2	176.4	0	0	0	0	0	113.5	I993 T1000 F1001	I993-G997 PolarHBondContact O-N 3.23Å; G997-T1000 PolarHBondContact O-N 2.91Å; G997-T1000 PolarHBondContact O-OG1 2.83Å; G997-T1000 VanDerWaalsContact O-OG1 3.07Å; G997-F1001 WeakPolarHBondContact O-CB 3.4Å; G997-F1001 PolarHBondContact O-N 3.31Å
998	M	69	Low	65.6	Low	104 Å²	104	93.1 Å²	93.1	51%	0.512	49%	0.494	S	S	.	.	H	α-helix	trans	-71.2	-32.1	173.6	-71	-69.2	-76	0	0	111.7	L994 L1002	L994-M998 WeakPolarHBondContact O-CB 3.29Å; L994-M998 WeakPolarHBondContact O-CG 3.27Å; L994-M998 PolarHBondContact O-N 2.88Å; M998-L1002 WeakPolarHBondContact O-CB 3.29Å; M998-L1002 VanDerWaalsContact O-CG 3.27Å; M998-L1002 WeakPolarHBondContact O-CG 3.28Å; M998-L1002 PolarHBondContact O-N 3.45Å
999	S	70.4	Confident	66.5	Low	78 Å²	78	92.4 Å²	92.4	55%	0.545	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-43.6	171.8	-178.8	0	0	0	0	111.2	F995 I996 A1003	F995-S999 WeakPolarHBondContact O-CA 3.4Å; F995-S999 WeakPolarHBondContact O-CB 3.25Å; F995-S999 PolarHBondContact O-N 2.75Å; I996-S999 PolarHBondContact O-N 2.9Å; S999-A1003 WeakPolarHBondContact O-CA 3.34Å; S999-A1003 WeakPolarHBondContact O-CB 3.27Å; S999-A1003 PolarHBondContact O-N 3.34Å
1000	T	69.6	Low	67	Low	81 Å²	81	91.3 Å²	91.3	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-35.4	175.8	54.3	0	0	0	0	112.3	I996 G997 A1003 T1004	I996-T1000 WeakPolarHBondContact O-CG2 3.42Å; I996-T1000 PolarHBondContact O-N 2.89Å; I996-T1000 PolarHBondContact O-OG1 2.9Å; I996-T1000 VanDerWaalsContact O-OG1 3.09Å; G997-T1000 PolarHBondContact O-N 2.91Å; G997-T1000 PolarHBondContact O-OG1 2.83Å; G997-T1000 VanDerWaalsContact O-OG1 3.07Å; T1000-A1003 CarbonylContact O-C 3.47Å; T1000-A1003 PolarHBondContact O-N 2.96Å; T1000-T1004 WeakPolarHBondContact O-CG2 3.32Å; T1000-T1004 PolarHBondContact O-N 3.21Å; T1000-T1004 PolarHBondContact O-OG1 3.03Å; T1000-T1004 VanDerWaalsContact O-OG1 3.12Å
1001	F	69	Low	67.4	Low	126 Å²	126	90.7 Å²	90.7	55%	0.553	49%	0.491	S	S	*	.	H	α-helix	trans	-71.9	-43.3	176.3	-168.5	-106.9	0	0	0	112.7	G997 A1003 T1004 I1005	G997-F1001 WeakPolarHBondContact O-CB 3.4Å; G997-F1001 PolarHBondContact O-N 3.31Å; F1001-A1003 VanDerWaalsContact C-N 3.32Å; F1001-T1004 PolarHBondContact O-N 3.38Å; F1001-T1004 PolarHBondContact O-OG1 2.67Å; F1001-I1005 HydrophobicContact CD1-CD1 3.77Å; F1001-I1005 HydrophobicContact CE1-CD1 3.47Å; F1001-I1005 VanDerWaalsContact CE1-CD1 3.47Å; F1001-I1005 HydrophobicContact CG-CD1 4.45Å; F1001-I1005 HydrophobicContact CZ-CD1 3.91Å; F1001-I1005 WeakPolarHBondContact O-CB 3.32Å; F1001-I1005 WeakPolarHBondContact O-CG1 3.44Å; F1001-I1005 PolarHBondContact O-N 2.77Å
1002	L	75	Confident	67.3	Low	90 Å²	90	91.9 Å²	91.9	47%	0.471	51%	0.505	S	S	.	.	H	α-helix	trans	-69.4	-30.7	171.3	-70.4	170	0	0	0	111.6	M998 L1006	M998-L1002 WeakPolarHBondContact O-CB 3.29Å; M998-L1002 VanDerWaalsContact O-CG 3.27Å; M998-L1002 WeakPolarHBondContact O-CG 3.28Å; M998-L1002 PolarHBondContact O-N 3.45Å; L1002-L1006 WeakPolarHBondContact O-CB 3.32Å; L1002-L1006 WeakPolarHBondContact O-CG 3.42Å; L1002-L1006 PolarHBondContact O-N 3.09Å
1003	A	74.9	Confident	67	Low	38 Å²	38	94.5 Å²	94.5	31%	0.314	52%	0.517	S	S	.	.	H	α-helix	trans	-72.2	-37	172.2	0	0	0	0	0	112.2	S999 T1000 F1001 I1007	S999-A1003 WeakPolarHBondContact O-CA 3.34Å; S999-A1003 WeakPolarHBondContact O-CB 3.27Å; S999-A1003 PolarHBondContact O-N 3.34Å; T1000-A1003 CarbonylContact O-C 3.47Å; T1000-A1003 PolarHBondContact O-N 2.96Å; F1001-A1003 VanDerWaalsContact C-N 3.32Å; A1003-I1007 HydrophobicContact CB-CD1 4.5Å; A1003-I1007 WeakPolarHBondContact O-CA 3.46Å; A1003-I1007 WeakPolarHBondContact O-CB 3.46Å; A1003-I1007 WeakPolarHBondContact O-CD1 3.26Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.32Å; A1003-I1007 PolarHBondContact O-N 3.43Å
1004	T	69.6	Low	66.5	Low	85 Å²	85	95 Å²	95	52%	0.521	52%	0.52	S	S	.	.	H	α-helix	trans	-70.5	-35.1	173.2	51.7	0	0	0	0	111.5	T1000 F1001 S1008	T1000-T1004 WeakPolarHBondContact O-CG2 3.32Å; T1000-T1004 PolarHBondContact O-N 3.21Å; T1000-T1004 PolarHBondContact O-OG1 3.03Å; T1000-T1004 VanDerWaalsContact O-OG1 3.12Å; F1001-T1004 PolarHBondContact O-N 3.38Å; F1001-T1004 PolarHBondContact O-OG1 2.67Å; T1004-S1008 WeakPolarHBondContact O-CB 3.33Å; T1004-S1008 PolarHBondContact O-N 3.31Å
1005	I	71	Confident	65.4	Low	71 Å²	71	99.5 Å²	99.5	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-67.6	-46.9	172	-70.7	170.8	0	0	0	111.1	F1001 S1008 I1009	F1001-I1005 HydrophobicContact CD1-CD1 3.77Å; F1001-I1005 HydrophobicContact CE1-CD1 3.47Å; F1001-I1005 VanDerWaalsContact CE1-CD1 3.47Å; F1001-I1005 HydrophobicContact CG-CD1 4.45Å; F1001-I1005 HydrophobicContact CZ-CD1 3.91Å; F1001-I1005 WeakPolarHBondContact O-CB 3.32Å; F1001-I1005 WeakPolarHBondContact O-CG1 3.44Å; F1001-I1005 PolarHBondContact O-N 2.77Å; I1005-S1008 PolarHBondContact O-N 3.35Å; I1005-I1009 HydrophobicContact CG2-CD1 3.76Å; I1005-I1009 WeakPolarHBondContact O-CB 3.37Å; I1005-I1009 VanDerWaalsContact O-CG1 3.28Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.48Å; I1005-I1009 PolarHBondContact O-N 3.04Å
1006	L	75.7	Confident	63.9	Low	97 Å²	97	97.7 Å²	97.7	51%	0.508	54%	0.539	S	S	.	.	H	α-helix	trans	-66.8	-37.2	175.6	-82.7	163.2	0	0	0	112.3	L1002 I1009 I1010	L1002-L1006 WeakPolarHBondContact O-CB 3.32Å; L1002-L1006 WeakPolarHBondContact O-CG 3.42Å; L1002-L1006 PolarHBondContact O-N 3.09Å; L1006-I1009 PolarHBondContact O-N 3.08Å; L1006-I1010 HydrophobicContact CB-CD1 4.43Å; L1006-I1010 WeakPolarHBondContact O-CB 3.31Å; L1006-I1010 WeakPolarHBondContact O-CD1 3.3Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.41Å; L1006-I1010 PolarHBondContact O-N 2.95Å
1007	I	72.6	Confident	62.1	Low	99 Å²	99	98.6 Å²	98.6	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-68.3	-38.6	173.8	-72.3	165.2	0	0	0	109.8	A1003 I1010 L1011	A1003-I1007 HydrophobicContact CB-CD1 4.5Å; A1003-I1007 WeakPolarHBondContact O-CA 3.46Å; A1003-I1007 WeakPolarHBondContact O-CB 3.46Å; A1003-I1007 WeakPolarHBondContact O-CD1 3.26Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.32Å; A1003-I1007 PolarHBondContact O-N 3.43Å; I1007-I1010 PolarHBondContact O-N 3.43Å; I1007-L1011 HydrophobicContact CG2-CD1 3.64Å; I1007-L1011 HydrophobicContact CG2-CG 4.08Å; I1007-L1011 WeakPolarHBondContact O-CB 3.3Å; I1007-L1011 WeakPolarHBondContact O-CG 3.23Å; I1007-L1011 PolarHBondContact O-N 2.94Å
1008	S	66.8	Low	60.5	Low	68 Å²	68	108.4 Å²	108.4	48%	0.476	58%	0.58	S	S	.	*	H	α-helix	trans	-61.4	-49.2	172.7	-171.2	0	0	0	0	111.1	T1004 I1005 I1010 L1011 C1012	T1004-S1008 WeakPolarHBondContact O-CB 3.33Å; T1004-S1008 PolarHBondContact O-N 3.31Å; I1005-S1008 PolarHBondContact O-N 3.35Å; S1008-I1010 PolarHBondContact O-N 3.35Å; S1008-L1011 PolarHBondContact O-N 3.36Å; S1008-C1012 WeakPolarHBondContact O-CB 3.18Å; S1008-C1012 PolarHBondContact O-N 2.77Å; S1008-C1012 PolarHBondContact O-SG 3.19Å; S1008-C1012 VanDerWaalsContact O-SG 3.32Å
1009	I	67.6	Low	58.5	Low	85 Å²	85	112.5 Å²	112.5	44%	0.436	59%	0.59	S	S	.	*	H	α-helix	trans	-64.1	-40	177.2	-67.8	166.8	0	0	0	111.7	I1005 L1006 C1012 M1013	I1005-I1009 HydrophobicContact CG2-CD1 3.76Å; I1005-I1009 WeakPolarHBondContact O-CB 3.37Å; I1005-I1009 VanDerWaalsContact O-CG1 3.28Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.48Å; I1005-I1009 PolarHBondContact O-N 3.04Å; L1006-I1009 PolarHBondContact O-N 3.08Å; I1009-C1012 CarbonylContact O-C 3.23Å; I1009-C1012 WeakPolarHBondContact O-CB 3.25Å; I1009-C1012 PolarHBondContact O-N 3.11Å; I1009-M1013 HydrophobicContact CG2-CG 4.38Å; I1009-M1013 VanDerWaalsContact O-CB 3.29Å; I1009-M1013 WeakPolarHBondContact O-CB 3.3Å; I1009-M1013 WeakPolarHBondContact O-CG 3.28Å; I1009-M1013 PolarHBondContact O-N 2.94Å
1010	I	66.9	Low	56.5	Low	85 Å²	85	116.6 Å²	116.6	44%	0.436	60%	0.604	S	S	.	*	H	α-helix	trans	-74.7	-30.6	178.8	-69.4	165.5	0	0	0	111.4	L1006 I1007 S1008 M1013 I1014	L1006-I1010 HydrophobicContact CB-CD1 4.43Å; L1006-I1010 WeakPolarHBondContact O-CB 3.31Å; L1006-I1010 WeakPolarHBondContact O-CD1 3.3Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.41Å; L1006-I1010 PolarHBondContact O-N 2.95Å; I1007-I1010 PolarHBondContact O-N 3.43Å; S1008-I1010 PolarHBondContact O-N 3.35Å; I1010-M1013 PolarHBondContact O-N 3.27Å; I1010-I1014 HydrophobicContact CG2-CB 4.44Å; I1010-I1014 HydrophobicContact CG2-CD1 4.24Å; I1010-I1014 HydrophobicContact CG2-CG1 4.38Å; I1010-I1014 WeakPolarHBondContact O-CA 3.42Å; I1010-I1014 PolarHBondContact O-N 3.01Å
1011	L	60	Low	54.6	Low	125 Å²	125	121 Å²	121	65%	0.654	62%	0.619	S	S	*	*	H	α-helix	trans	-69.5	-35.2	168.7	-73.9	170.1	0	0	0	111.3	I1007 S1008 M1013	I1007-L1011 HydrophobicContact CG2-CD1 3.64Å; I1007-L1011 HydrophobicContact CG2-CG 4.08Å; I1007-L1011 WeakPolarHBondContact O-CB 3.3Å; I1007-L1011 WeakPolarHBondContact O-CG 3.23Å; I1007-L1011 PolarHBondContact O-N 2.94Å; S1008-L1011 PolarHBondContact O-N 3.36Å; L1011-M1013 VanDerWaalsContact C-N 3.3Å; L1011-M1013 PolarHBondContact O-N 3.36Å
1012	C	55.9	Low	52.7	Low	109 Å²	109	123.8 Å²	123.8	74%	0.736	64%	0.636	S	S	*	*	H	α-helix	trans	-69.8	-22	170	-71.2	0	0	0	0	113.7	S1008 I1009	S1008-C1012 WeakPolarHBondContact O-CB 3.18Å; S1008-C1012 PolarHBondContact O-N 2.77Å; S1008-C1012 PolarHBondContact O-SG 3.19Å; S1008-C1012 VanDerWaalsContact O-SG 3.32Å; I1009-C1012 CarbonylContact O-C 3.23Å; I1009-C1012 WeakPolarHBondContact O-CB 3.25Å; I1009-C1012 PolarHBondContact O-N 3.11Å
1013	M	54.7	Low	50.5	Low	154 Å²	154	127 Å²	127	76%	0.759	65%	0.646	S	S	*	*	H	α-helix	trans	-108	-25.5	-174.3	-71.1	-75.4	-134	0	0	115	I1009 I1010 L1011	I1009-M1013 HydrophobicContact CG2-CG 4.38Å; I1009-M1013 VanDerWaalsContact O-CB 3.29Å; I1009-M1013 WeakPolarHBondContact O-CB 3.3Å; I1009-M1013 WeakPolarHBondContact O-CG 3.28Å; I1009-M1013 PolarHBondContact O-N 2.94Å; I1010-M1013 PolarHBondContact O-N 3.27Å; L1011-M1013 VanDerWaalsContact C-N 3.3Å; L1011-M1013 PolarHBondContact O-N 3.36Å
1014	I	51.7	Low	48.7	Very low	114 Å²	114	135.7 Å²	135.7	59%	0.585	67%	0.672	S	S	*	*	S	Bend	trans	-143.4	67.6	-168	-39.1	-178.5	0	0	0	113.8	I1010	I1010-I1014 HydrophobicContact CG2-CB 4.44Å; I1010-I1014 HydrophobicContact CG2-CD1 4.24Å; I1010-I1014 HydrophobicContact CG2-CG1 4.38Å; I1010-I1014 WeakPolarHBondContact O-CA 3.42Å; I1010-I1014 PolarHBondContact O-N 3.01Å
1015	K	36.7	Very low	46.8	Very low	190 Å²	190	135.8 Å²	135.8	83%	0.826	68%	0.676	S	S	*	*	S	Bend	trans	-170.8	157.1	137	-102.3	150.7	-174.7	177.5	0	111.8
1016	P	33.3	Very low	44.7	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	70%	0.697	S	S	*	*				-115.1	176.2	-125.5	42.4	-39.5	0	0	0	115.7	R1018	P1016-R1018 PolarHBondContact O-N 3.25Å
1017	C	30.3	Very low	42.3	Very low	123 Å²	123	142.9 Å²	142.9	83%	0.831	71%	0.712	S	S	*	*			trans	-44.4	126.9	169.9	-49.2	0	0	0	0	114.3
1018	R	30.1	Very low	40.4	Very low	239 Å²	239	150 Å²	150	90%	0.902	73%	0.732	S	S	*	*				-151.2	115.1	129.2	-122.5	174.9	-177	-177.3	-0	112.6	P1016	P1016-R1018 PolarHBondContact O-N 3.25Å
1019	R	27.2	Very low	38.6	Very low	190 Å²	190	151.4 Å²	151.4	72%	0.717	74%	0.742	S	S	*	*			trans	-63.9	129.1	167.8	-67.4	170.1	172.3	154.5	-12.8	109.7	E1036	R1019-E1036 IonicContact CZ-OE1 2.75Å; R1019-E1036 IonicContact NH1-OE1 3.41Å; R1019-E1036 PolarHBondContact NH1-OE1 2.85Å; R1019-E1036 IonicContact NH1-OE2 3.2Å
1020	I	29.1	Very low	37.1	Very low	163 Å²	163	152.9 Å²	152.9	84%	0.836	76%	0.759	S	S	*	*			trans	-139.3	123.8	148	-58	-177.1	0	0	0	106.2
1021	Q	29.3	Very low	35.6	Very low	175 Å²	175	157.5 Å²	157.5	82%	0.818	78%	0.776	S	S	*	*			trans	-120.7	114.3	-179.5	-70.3	178.8	-71.8	0	0	110.7
1022	M	27.6	Very low	34.3	Very low	184 Å²	184	161.8 Å²	161.8	91%	0.906	78%	0.783	S	S	*	*			trans	-161.7	155.2	157.4	-74.6	-153.3	-156.5	0	0	111.6
1023	K	29.4	Very low	33.5	Very low	158 Å²	158	162.6 Å²	162.6	69%	0.687	78%	0.779	S	S	*	*			cis	-166	133.2	-42.2	-150.9	-177.1	-179.5	-173	0	112.1
1024	Y	36.4	Very low	32.4	Very low	219 Å²	219	160.4 Å²	160.4	86%	0.859	78%	0.777	S	S	*	*			trans	-136	149.2	145.5	-88.9	-93.8	0	0	0	106.2
1025	S	30.5	Very low	31.6	Very low	87 Å²	87	162.4 Å²	162.4	61%	0.608	79%	0.789	S	S	*	*			cis	83.6	132.6	16.6	-146.1	0	0	0	0	114.4
1026	T	27.9	Very low	31.3	Very low	130 Å²	130	160.2 Å²	160.2	80%	0.798	78%	0.782	S	S	*	*			cis	-86.8	118.2	5.6	35.8	0	0	0	0	115.1
1027	K	25.2	Very low	31.5	Very low	188 Å²	188	164.1 Å²	164.1	82%	0.817	79%	0.79	S	S	*	*	S	Bend	trans	-140.3	123.7	143.5	-166.1	172	-172.5	173	0	105.9
1028	W	32.3	Very low	31.5	Very low	248 Å²	248	167.2 Å²	167.2	94%	0.939	79%	0.789	S	S	*	*			trans	-64.2	154.7	-175.5	-87.9	53.9	0	0	0	111.6
1029	S	29.2	Very low	31.6	Very low	98 Å²	98	166.3 Å²	166.3	69%	0.685	79%	0.787	S	S	*	*			trans	-155.9	146.6	-148.4	63.3	0	0	0	0	116.2
1030	C	36.1	Very low	31.8	Very low	116 Å²	116	164.8 Å²	164.8	78%	0.784	79%	0.788	S	S	*	*			trans	-153.7	130.5	164.6	-156.9	0	0	0	0	115.4
1031	K	33.9	Very low	31.9	Very low	181 Å²	181	163.1 Å²	163.1	79%	0.787	78%	0.781	S	S	*	*			trans	48.9	115.8	151.7	-77.7	176.1	177.8	167.9	0	125.2
1032	R	34.4	Very low	32.1	Very low	216 Å²	216	160.7 Å²	160.7	82%	0.815	77%	0.774	S	S	*	*				90.1	123.6	118.6	-86.5	-170.1	154.7	-172.4	-5.7	124.7
1033	I	39.3	Very low	32.4	Very low	125 Å²	125	158.1 Å²	158.1	64%	0.641	76%	0.764	S	S	*	*			trans	88.2	95	136.1	-61.6	169.8	0	0	0	120.7
1034	C	31	Very low	32.7	Very low	108 Å²	108	156.9 Å²	156.9	73%	0.73	76%	0.764	S	S	*	*				50.3	132.2	122	-50.9	0	0	0	0	125.3
1035	N	33.7	Very low	32.6	Very low	156 Å²	156	152.8 Å²	152.8	83%	0.834	76%	0.757	S	S	*	*			trans	90.9	107.8	140.6	-67.6	5	0	0	0	121.1
1036	E	32	Very low	32.6	Very low	144 Å²	144	156.1 Å²	156.1	67%	0.673	77%	0.769	S	S	*	*			trans	-67.4	154.2	154.6	-53.3	172.2	154.7	0	0	111	R1019	R1019-E1036 IonicContact CZ-OE1 2.75Å; R1019-E1036 IonicContact NH1-OE1 3.41Å; R1019-E1036 PolarHBondContact NH1-OE1 2.85Å; R1019-E1036 IonicContact NH1-OE2 3.2Å
1037	H	36.2	Very low	32.8	Very low	198 Å²	198	153.5 Å²	153.5	92%	0.917	77%	0.767	S	S	*	*			trans	-157.2	138.6	134.2	-112.4	-78.9	0	0	0	110.9
1038	K	30.9	Very low	33.1	Very low	188 Å²	188	152.5 Å²	152.5	82%	0.817	77%	0.771	S	S	*	*			trans	-79.9	150.3	-178.3	-59.1	177.1	179.5	-178.9	0	112.1
1039	Y	32.1	Very low	33.2	Very low	221 Å²	221	149 Å²	149	87%	0.867	77%	0.77	S	S	*	*				-151.3	163.7	126.9	-117.6	-78.5	0	0	0	111.4
1040	Q	30.2	Very low	33.3	Very low	158 Å²	158	154.7 Å²	154.7	74%	0.738	78%	0.776	S	S	*	*			trans	-66.6	159.7	175	-65.6	153.7	-66.3	0	0	110.1
1041	N	32.4	Very low	32.9	Very low	127 Å²	127	154.9 Å²	154.9	68%	0.679	77%	0.773	S	S	*	*				-171.1	145.6	59.5	-140.7	7.9	0	0	0	114.7
1042	N	32.5	Very low	32.9	Very low	125 Å²	125	153.3 Å²	153.3	67%	0.668	77%	0.767	S	S	*	*			trans	54.8	148.6	143.9	-71.4	-5.5	0	0	0	124.6
1043	N	35.5	Very low	32.7	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	76%	0.759	S	S	*	*			trans	78.1	110.8	157.9	-61.8	-10.8	0	0	0	116.4
1044	N	34.1	Very low	32.5	Very low	132 Å²	132	150.6 Å²	150.6	71%	0.706	77%	0.765	S	S	*	*				81.3	132.5	74.1	-67.3	2.7	0	0	0	111.2
1045	N	35	Very low	32.4	Very low	133 Å²	133	153 Å²	153	71%	0.711	77%	0.77	S	S	*	*			cis	-153.3	168	6.8	-105.6	-12.4	0	0	0	112.4
1046	N	30.6	Very low	32.4	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	77%	0.77	S	S	*	*			trans	-36.5	159.2	166.1	-42	-25.3	0	0	0	116.3
1047	G	32.6	Very low	32.4	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	78%	0.776	S	S	*	*			trans	161.3	92	143.2	0	0	0	0	0	117.5
1048	D	31.2	Very low	32.1	Very low	167 Å²	167	145.6 Å²	145.6	89%	0.893	76%	0.764	S	S	*	*			trans	-61.2	136.9	141.5	-87.5	-59.3	0	0	0	108.9
1049	L	33.7	Very low	32.2	Very low	175 Å²	175	146.5 Å²	146.5	92%	0.916	77%	0.768	S	S	*	*			trans	-167.4	165	145.9	-109.7	162.1	0	0	0	112.6
1050	R	31.5	Very low	32.1	Very low	218 Å²	218	141.9 Å²	141.9	82%	0.823	76%	0.759	S	S	*	*			trans	-98	164.1	-163.7	-69	175.1	164.5	177.5	-6.4	114.1
1051	T	29	Very low	32.3	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	77%	0.767	S	S	*	*			trans	78.2	133.8	139.1	34.9	0	0	0	0	122.4
1052	K	32.5	Very low	32.2	Very low	149 Å²	149	146.9 Å²	146.9	65%	0.648	77%	0.773	S	S	*	*			trans	87.8	107.1	135.1	-79.5	-180	163.1	-74.5	0	121.5
1053	E	31	Very low	32.4	Very low	141 Å²	141	145.7 Å²	145.7	66%	0.659	78%	0.78	S	S	*	*				80.5	151.5	115.1	-73.8	165.6	179.9	0	0	123
1054	L	33.9	Very low	32.2	Very low	143 Å²	143	146.3 Å²	146.3	75%	0.749	78%	0.783	S	S	*	*			trans	79.3	100.1	156	-72.7	152.7	0	0	0	120.2
1055	D	30.4	Very low	32	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	78%	0.778	S	S	*	*				28	127.1	118.7	-55.9	-35.8	0	0	0	120.1
1056	G	32.6	Very low	31.7	Very low	80 Å²	80	149.1 Å²	149.1	83%	0.825	78%	0.783	S	S	*	*			trans	-171.5	96.2	167.6	0	0	0	0	0	112.6
1057	T	31.4	Very low	31.7	Very low	131 Å²	131	151.2 Å²	151.2	80%	0.804	78%	0.784	S	S	*	*			trans	-87.7	179	-177.4	46.7	0	0	0	0	113.3
1058	I	30	Very low	31.6	Very low	131 Å²	131	152.9 Å²	152.9	67%	0.672	78%	0.779	S	S	*	*			trans	80.4	104.4	164.6	-42.4	170.1	0	0	0	115.8
1059	F	34	Very low	31.8	Very low	207 Å²	207	153.2 Å²	153.2	91%	0.908	78%	0.781	S	S	*	*				-161.2	147.1	97.6	-107.6	-70.8	0	0	0	113
1060	N	30.7	Very low	31.8	Very low	124 Å²	124	152.5 Å²	152.5	66%	0.663	77%	0.772	S	S	*	*			trans	-110.8	134.5	-171.1	172	0.8	0	0	0	110.6
1061	R	33	Very low	31.9	Very low	243 Å²	243	149.3 Å²	149.3	92%	0.917	77%	0.77	S	S	*	*			trans	-162.7	129.2	151.5	-113.4	164.4	-161.6	-164	3.3	114.7
1062	N	31.5	Very low	32.2	Very low	148 Å²	148	151.4 Å²	151.4	79%	0.791	77%	0.772	S	S	*	*			trans	-70.2	147.8	171	-48.7	-21.9	0	0	0	111.9
1063	A	35.2	Very low	32.2	Very low	99 Å²	99	149 Å²	149	82%	0.818	77%	0.774	S	S	*	*			trans	-162.5	129.8	149.4	0	0	0	0	0	111.1
1064	D	31.8	Very low	32.5	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	78%	0.775	S	S	*	*			trans	-74	154.6	173.7	-51.5	-92.4	0	0	0	112.8
1065	N	31.3	Very low	32.4	Very low	113 Å²	113	147.7 Å²	147.7	60%	0.604	77%	0.771	S	S	*	*				142.4	117.7	125.2	-76.7	-75.1	0	0	0	115.7
1066	R	27.9	Very low	32.5	Very low	211 Å²	211	146 Å²	146	80%	0.796	76%	0.762	S	S	*	*				46.4	106.9	129.9	-63.6	178.8	-99	-167.3	-9.2	119.9
1067	K	31.2	Very low	32.3	Very low	201 Å²	201	147.3 Å²	147.3	87%	0.874	75%	0.753	S	S	*	*				179.1	126.2	114.4	-93	159.2	-177	-174.4	0	107.7
1068	V	29.1	Very low	32.4	Very low	109 Å²	109	151.3 Å²	151.3	66%	0.661	76%	0.755	S	S	*	*				67.1	98	52.8	-175.7	0	0	0	0	112.2	H1070	V1068-H1070 HydrophobicContact CG1-CB 4.44Å
1069	D	36.8	Very low	32.3	Very low	174 Å²	174	152.7 Å²	152.7	93%	0.93	76%	0.756	S	S	*	*			trans	-122.7	141.8	137	-93.5	-43.9	0	0	0	107.4
1070	H	32.8	Very low	32.1	Very low	160 Å²	160	151.2 Å²	151.2	74%	0.741	75%	0.75	S	S	*	*			trans	-150.9	137.7	-165.8	-136.3	-61.8	0	0	0	108.6	V1068	V1068-H1070 HydrophobicContact CG1-CB 4.44Å
1071	I	34.1	Very low	32	Very low	151 Å²	151	151.7 Å²	151.7	77%	0.774	75%	0.752	S	S	*	*			trans	-164	106	160.9	-98.5	142	0	0	0	104.3
1072	E	34.9	Very low	31.7	Very low	164 Å²	164	147.3 Å²	147.3	77%	0.766	75%	0.746	S	S	*	*				72.4	132.5	79.2	-74.3	-174.4	161.8	0	0	112.6
1073	S	32.9	Very low	31.5	Very low	98 Å²	98	149.9 Å²	149.9	69%	0.685	75%	0.746	S	S	*	*			cis	-163.1	-172.3	-3.2	53.5	0	0	0	0	108.5
1074	I	35.9	Very low	31.1	Very low	134 Å²	134	150.7 Å²	150.7	69%	0.687	74%	0.737	S	S	*	*			cis	-163.2	146.9	15	-152.2	155	0	0	0	111.1
1075	N	33.4	Very low	30.9	Very low	123 Å²	123	150.8 Å²	150.8	66%	0.658	73%	0.733	S	S	*	*			trans	49.8	152.7	150	-64.6	4.7	0	0	0	122.6
1076	N	31.9	Very low	30.7	Very low	122 Å²	122	153.2 Å²	153.2	65%	0.652	74%	0.74	S	S	*	*			cis	-162	146.1	-9.2	-97.1	-13.1	0	0	0	107.5
1077	V	28.6	Very low	30.5	Very low	108 Å²	108	148.4 Å²	148.4	66%	0.655	74%	0.738	S	S	*	*				66.2	124.2	59.8	-179.7	0	0	0	0	112.4
1078	Y	33.4	Very low	30.3	Very low	214 Å²	214	146.7 Å²	146.7	84%	0.839	73%	0.733	S	S	*	*			cis	-119.5	174.1	12.2	-70.4	-69.7	0	0	0	111.9
1079	K	28	Very low	30.3	Very low	161 Å²	161	149 Å²	149	70%	0.7	74%	0.735	S	S	*	*			cis	108.5	102.9	8.4	-174.1	-101.2	163.2	-160.2	0	117.6
1080	F	28.9	Very low	29.9	Very low	176 Å²	176	148.8 Å²	148.8	77%	0.772	73%	0.728	S	S	*	*			trans	63.9	160.2	160.7	-102	-102.1	0	0	0	122
1081	D	28.5	Very low	29.9	Very low	133 Å²	133	153.4 Å²	153.4	71%	0.711	74%	0.739	S	S	*	*			trans	83	149.9	167.8	-57.7	-20.6	0	0	0	118.5
1082	L	28	Very low	29.6	Very low	151 Å²	151	154.5 Å²	154.5	79%	0.791	74%	0.741	S	S	*	*			cis	-170.9	144.5	-29.2	-167.9	94.9	0	0	0	108.3
1083	Y	26.9	Very low	29.5	Very low	202 Å²	202	155.1 Å²	155.1	79%	0.792	74%	0.744	S	S	*	*			trans	51.8	109.2	155.9	-127	-127.6	0	0	0	121.9
1084	N	26.6	Very low	29.2	Very low	117 Å²	117	157.7 Å²	157.7	63%	0.626	75%	0.745	S	S	*	*				82.7	153.9	124.5	-128.4	-22.9	0	0	0	123.4
1085	Q	27.3	Very low	28.9	Very low	144 Å²	144	158.9 Å²	158.9	67%	0.673	75%	0.747	S	S	*	*			trans	70.2	106	158.8	-70.2	-175.6	-12.6	0	0	123.2
1086	Q	27.1	Very low	28.6	Very low	164 Å²	164	161.8 Å²	161.8	77%	0.766	76%	0.757	S	S	*	*				71.7	102.7	120.3	-67.6	178.2	-18.9	0	0	121.7
1087	C	23.4	Very low	28.6	Very low	111 Å²	111	160.5 Å²	160.5	75%	0.75	76%	0.755	S	S	*	*				72.6	133.7	111	-152.5	0	0	0	0	120.7
1088	Q	27.3	Very low	28.6	Very low	165 Å²	165	164.7 Å²	164.7	77%	0.771	77%	0.765	S	S	*	*			trans	69.2	138.5	174.3	-35.1	-173.5	-0.3	0	0	114.5
1089	K	29.9	Very low	28.4	Very low	158 Å²	158	161.2 Å²	161.2	69%	0.687	76%	0.761	S	S	*	*			cis	-145	144.3	27	-77.4	177.9	179.2	173.4	0	114.3
1090	Q	28.9	Very low	28.6	Very low	168 Å²	168	158.8 Å²	158.8	79%	0.785	76%	0.761	S	S	*	*			trans	50.7	111.8	135.2	-60.2	167.7	-43.1	0	0	119.5
1091	R	31.9	Very low	28.5	Very low	257 Å²	257	157.6 Å²	157.6	97%	0.97	76%	0.763	S	S	*	*				-148	58.3	126	-139.8	171.9	-76.9	-162.9	-0.6	113.7
1092	Q	28.7	Very low	28.5	Very low	175 Å²	175	157.1 Å²	157.1	82%	0.818	77%	0.769	S	S	*	*			trans	-80.8	127.6	156.9	-79.7	-174.9	-14.9	0	0	109.8
1093	Q	32	Very low	28.5	Very low	177 Å²	177	152.7 Å²	152.7	83%	0.827	76%	0.761	S	S	*	*			trans	172.5	109.7	144.9	-95.4	157.9	17.4	0	0	106
1094	Q	26.9	Very low	28.7	Very low	152 Å²	152	149.9 Å²	149.9	71%	0.71	75%	0.749	S	S	*	*				81	142.9	61.9	-74.9	-169.4	-1.2	0	0	114.3
1095	Q	28.3	Very low	28.8	Very low	159 Å²	159	148.5 Å²	148.5	74%	0.743	75%	0.746	S	S	*	*			trans	74.6	110.4	170.9	-59.3	146.5	42.3	0	0	114.4
1096	Q	28.2	Very low	28.8	Very low	184 Å²	184	146.1 Å²	146.1	86%	0.86	75%	0.745	S	S	*	*				72.9	152.7	64	-76.6	-167.4	-11.7	0	0	114.4
1097	P	32.4	Very low	28.9	Very low	95 Å²	95	145.5 Å²	145.5	62%	0.617	74%	0.742	S	S	*	*			cis	-141.3	-165.5	-35.5	35.6	-14.4	0	0	0	113.9
1098	F	28.5	Very low	29.2	Very low	196 Å²	196	149.6 Å²	149.6	86%	0.86	74%	0.741	S	S	*	*			trans	95.5	138.1	161.6	-72.7	-67.9	0	0	0	123.3
1099	D	29	Very low	29.4	Very low	141 Å²	141	147.9 Å²	147.9	75%	0.754	74%	0.738	S	S	*	*			trans	-58.6	175.7	168.6	-71.3	-75.4	0	0	0	115.7
1100	P	33.1	Very low	29.4	Very low	109 Å²	109	146 Å²	146	71%	0.708	74%	0.739	S	S	*	*			cis	-152.7	164.2	28.5	43.7	-21.9	0	0	0	122.5
1101	L	26.7	Very low	29.4	Very low	152 Å²	152	143.8 Å²	143.8	80%	0.796	73%	0.733	S	S	*	*			trans	37.4	136.2	139.7	-76.7	129.5	0	0	0	125.3
1102	S	26.7	Very low	29.3	Very low	122 Å²	122	137.3 Å²	137.3	85%	0.853	72%	0.717	S	S	*	*			trans	78.5	151.7	136.9	74.3	0	0	0	0	121.2
1103	G	28.6	Very low	29.4	Very low	59 Å²	59	134.2 Å²	134.2	61%	0.608	72%	0.715	S	S	*	*			trans	-175.7	-25.9	-179.6	0	0	0	0	0	122.1
1104	Y	30.8	Very low	29.2	Very low	142 Å²	142	134.7 Å²	134.7	56%	0.557	72%	0.715	S	S	*	*			trans	66.6	134.2	166.8	-104.8	-114.7	0	0	0	122.9	L1200	Y1104-L1200 WeakPolarHBondContact O-CD1 3.38Å
1105	T	28.3	Very low	29.2	Very low	89 Å²	89	133.9 Å²	133.9	55%	0.546	72%	0.715	S	S	.	*			trans	92.3	117.2	143.8	29.2	0	0	0	0	125.3	P1199	T1105-P1199 PolarHBondContact N-O 3.21Å
1106	S	28.3	Very low	29.2	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	71%	0.714	S	S	*	*				74.4	120	126.8	69.3	0	0	0	0	124
1107	E	29.3	Very low	29.1	Very low	152 Å²	152	131.2 Å²	131.2	71%	0.71	71%	0.71	S	S	*	*			trans	62.4	143.6	139.8	-67.6	-175.9	-158.8	0	0	119.8
1108	R	29.6	Very low	28.8	Very low	196 Å²	196	131.4 Å²	131.4	74%	0.74	71%	0.714	S	S	*	*			cis	-159.9	172	18.4	-142.9	178.6	-83.2	164.4	-5.6	112.9
1109	N	30.8	Very low	28.6	Very low	130 Å²	130	129.6 Å²	129.6	70%	0.695	71%	0.712	S	S	*	*			trans	83.1	122.7	150.4	-74.9	3	0	0	0	122.3
1110	V	29.9	Very low	28.4	Very low	117 Å²	117	133.1 Å²	133.1	71%	0.709	72%	0.717	S	S	*	*			trans	73.7	120.8	130.4	175.3	0	0	0	0	117.4
1111	D	29.8	Very low	28	Very low	123 Å²	123	133.4 Å²	133.4	66%	0.658	72%	0.716	S	S	*	*			cis	-153	152.4	0.6	-122.6	8.4	0	0	0	113.6
1112	N	29	Very low	27.9	Very low	121 Å²	121	132.7 Å²	132.7	65%	0.647	72%	0.718	S	S	*	*			trans	12.6	147.9	151.5	-48.8	-47.4	0	0	0	120.9
1113	S	30.6	Very low	27.9	Very low	110 Å²	110	137 Å²	137	77%	0.769	72%	0.718	S	S	*	*			cis	-146.8	154.2	25.4	56.4	0	0	0	0	115.6	D1115	S1113-D1115 PolarHBondContact O-N 3.49Å
1114	F	27.8	Very low	27.9	Very low	187 Å²	187	141.2 Å²	141.2	82%	0.82	73%	0.726	S	S	*	*			trans	-59.8	115.5	-179.1	-66.8	-100.6	0	0	0	115.2
1115	D	27.3	Very low	27.7	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	74%	0.74	S	S	*	*				17.4	153.7	101.8	-84.5	-11.8	0	0	0	121.5	S1113	S1113-D1115 PolarHBondContact O-N 3.49Å
1116	N	29	Very low	27.6	Very low	133 Å²	133	145.2 Å²	145.2	71%	0.711	75%	0.748	S	S	*	*			trans	73.5	123.8	159	-59.4	-38	0	0	0	116.5
1117	I	25.7	Very low	27.6	Very low	155 Å²	155	148.5 Å²	148.5	80%	0.795	75%	0.753	S	S	*	*			cis	55.9	78	28.9	-44.8	-178.4	0	0	0	112.5
1118	S	25.6	Very low	27.6	Very low	99 Å²	99	150.6 Å²	150.6	69%	0.692	76%	0.756	S	S	*	*			trans	-105	129	159.2	48.1	0	0	0	0	109.6
1119	L	24.4	Very low	27.3	Very low	157 Å²	157	151.2 Å²	151.2	82%	0.822	76%	0.763	S	S	*	*			trans	-67.6	134.7	170.9	-70	77.3	0	0	0	108.7
1120	Y	24.9	Very low	27.1	Very low	216 Å²	216	153.3 Å²	153.3	85%	0.847	77%	0.766	S	S	*	*			trans	-106.1	132	152	-100	-82	0	0	0	110.2
1121	T	26.1	Very low	26.8	Very low	114 Å²	114	154.1 Å²	154.1	70%	0.699	77%	0.766	S	S	*	*			trans	-70.9	147	-173	43.4	0	0	0	0	112	Y1123	T1121-Y1123 PolarHBondContact O-N 3.07Å
1122	T	24	Very low	26.6	Very low	137 Å²	137	158.4 Å²	158.4	84%	0.84	78%	0.779	S	S	*	*			trans	-54	124.3	165.2	48.7	0	0	0	0	110.9
1123	Y	26.9	Very low	26.4	Very low	213 Å²	213	158.6 Å²	158.6	84%	0.835	78%	0.779	S	S	*	*			trans	-142.8	116.2	161.5	-125.3	-88.6	0	0	0	109.8	T1121	T1121-Y1123 PolarHBondContact O-N 3.07Å
1124	N	27.2	Very low	26.2	Very low	147 Å²	147	159.4 Å²	159.4	79%	0.786	78%	0.779	S	S	*	*			trans	-73	139.3	166.5	-65.5	-28.9	0	0	0	108.7
1125	Q	28.1	Very low	26.2	Very low	184 Å²	184	156.8 Å²	156.8	86%	0.86	77%	0.773	S	S	*	*				-179.7	161.1	121.3	-99.3	168.9	3.4	0	0	113.6
1126	D	26.4	Very low	26.1	Very low	132 Å²	132	158 Å²	158	71%	0.706	78%	0.78	S	S	*	*			trans	-80.9	171.5	-162.3	-53.4	-94.2	0	0	0	116.5
1127	H	27.2	Very low	25.9	Very low	161 Å²	161	158.3 Å²	158.3	75%	0.745	79%	0.791	S	S	*	*			trans	68.4	133.9	169.1	-46.6	-74.3	0	0	0	115.5
1128	Y	29.9	Very low	25.9	Very low	197 Å²	197	155.8 Å²	155.8	77%	0.773	79%	0.787	S	S	*	*			cis	-154.2	149	44.8	-98.3	-87	0	0	0	113.9
1129	K	23.2	Very low	25.9	Very low	208 Å²	208	157.1 Å²	157.1	90%	0.904	79%	0.791	S	S	*	*			trans	-71.7	125	152.9	-73.1	179.9	176.4	177.3	0	109.8
1130	K	25.7	Very low	26.1	Very low	174 Å²	174	156.7 Å²	156.7	76%	0.757	79%	0.788	S	S	*	*			trans	-162.6	104.6	154.2	-102.6	154.1	-174.9	175.3	0	107.5
1131	L	23.5	Very low	26.1	Very low	134 Å²	134	152.7 Å²	152.7	70%	0.702	78%	0.782	S	S	*	*				73.4	88.8	74.3	-169.1	92.3	0	0	0	112.2	I1133	L1131-I1133 HydrophobicContact CD1-CD1 4.37Å; L1131-I1133 HydrophobicContact CD1-CG1 4.1Å; L1131-I1133 HydrophobicContact CD2-CD1 4.23Å; L1131-I1133 HydrophobicContact CD2-CG1 4.46Å; L1131-I1133 HydrophobicContact CG-CD1 4.33Å; L1131-I1133 HydrophobicContact CG-CG1 4.04Å
1132	F	26.7	Very low	26.1	Very low	214 Å²	214	156.7 Å²	156.7	94%	0.939	79%	0.785	S	S	*	*			trans	-115.6	141.3	146.5	-86.1	-83.6	0	0	0	108.1
1133	I	24.7	Very low	26.3	Very low	124 Å²	124	156.9 Å²	156.9	64%	0.636	78%	0.779	S	S	*	*			trans	-111.1	164.9	-170	-52.8	174.2	0	0	0	108.5	L1131	L1131-I1133 HydrophobicContact CD1-CD1 4.37Å; L1131-I1133 HydrophobicContact CD1-CG1 4.1Å; L1131-I1133 HydrophobicContact CD2-CD1 4.23Å; L1131-I1133 HydrophobicContact CD2-CG1 4.46Å; L1131-I1133 HydrophobicContact CG-CD1 4.33Å; L1131-I1133 HydrophobicContact CG-CG1 4.04Å
1134	V	26.4	Very low	26.3	Very low	127 Å²	127	154.5 Å²	154.5	77%	0.77	77%	0.773	S	S	*	*			trans	106.8	115	159.3	-174.8	0	0	0	0	114
1135	N	26.5	Very low	26.2	Very low	132 Å²	132	153.6 Å²	153.6	71%	0.706	77%	0.769	S	S	*	*			cis	-159	144.8	-16.6	-112.5	1.5	0	0	0	108.5
1136	D	25.7	Very low	26.3	Very low	161 Å²	161	150.8 Å²	150.8	86%	0.861	76%	0.76	S	S	*	*			trans	-75.6	142.8	156	-81.4	-53.5	0	0	0	110
1137	C	26.2	Very low	26.5	Very low	139 Å²	139	152.3 Å²	152.3	94%	0.939	77%	0.767	S	S	*	*			trans	-162.6	135.2	148.7	-124.2	0	0	0	0	109.7
1138	S	25.2	Very low	26.5	Very low	101 Å²	101	151.9 Å²	151.9	71%	0.706	77%	0.769	S	S	*	*			trans	-126.1	155.1	-177.8	57.3	0	0	0	0	111.7
1139	T	26	Very low	26.7	Very low	128 Å²	128	146.9 Å²	146.9	79%	0.785	76%	0.76	S	S	*	*			trans	69.6	166	170.2	68.1	0	0	0	0	118.5
1140	I	27.5	Very low	26.9	Very low	147 Å²	147	145.5 Å²	145.5	75%	0.754	75%	0.75	S	S	*	*			trans	81.5	80.1	173.7	-46.5	-177.5	0	0	0	116.3
1141	D	25.7	Very low	27.1	Very low	133 Å²	133	146.2 Å²	146.2	71%	0.711	75%	0.75	S	S	*	*				52.8	134.7	114.4	-75.5	-45.3	0	0	0	124.1
1142	Y	26.3	Very low	27.3	Very low	198 Å²	198	142.8 Å²	142.8	78%	0.776	75%	0.747	S	S	*	*			trans	85.1	138.5	137.1	-93.1	-124.1	0	0	0	122.3
1143	I	27.7	Very low	27.3	Very low	140 Å²	140	142 Å²	142	72%	0.718	74%	0.743	S	S	*	*			trans	84.2	101.5	151.4	-67.9	162.4	0	0	0	118.6
1144	K	25.6	Very low	27.4	Very low	163 Å²	163	141 Å²	141	71%	0.709	74%	0.743	S	S	*	*			trans	64.7	118.8	132.9	-69.1	-168.2	173.9	-169.1	0	118.8
1145	N	26.9	Very low	27.3	Very low	128 Å²	128	143 Å²	143	68%	0.684	74%	0.744	S	S	*	*				75.1	158.5	74.6	-64.4	18.5	0	0	0	112.6
1146	D	28.6	Very low	27.3	Very low	126 Å²	126	142.4 Å²	142.4	67%	0.674	75%	0.745	S	S	*	*			trans	70.2	111.4	159.4	-51.5	-37.1	0	0	0	114.1
1147	L	31.4	Very low	27.3	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	74%	0.74	S	S	*	*			cis	-154.8	148.2	24.7	-96.7	134.8	0	0	0	114.4
1148	I	27.8	Very low	27.5	Very low	152 Å²	152	140.2 Å²	140.2	78%	0.779	73%	0.728	S	S	*	*			trans	-83.1	-166.7	157.8	-34.4	162	0	0	0	106.4
1149	P	32.9	Very low	27.7	Very low	91 Å²	91	145.2 Å²	145.2	59%	0.591	73%	0.733	S	S	*	*			cis	-112.2	-176.5	-31.8	9.2	15.9	0	0	0	112.9
1150	Y	27.7	Very low	27.9	Very low	179 Å²	179	143.5 Å²	143.5	70%	0.702	73%	0.725	S	S	*	*				170.4	147.7	107.2	-106.8	-78.3	0	0	0	115.8
1151	Y	30.5	Very low	28	Very low	190 Å²	190	143.7 Å²	143.7	75%	0.745	73%	0.728	S	S	*	*			trans	61.2	129	172.3	-52.4	-69.9	0	0	0	117.1
1152	G	26.9	Very low	28.2	Very low	62 Å²	62	140.4 Å²	140.4	64%	0.639	73%	0.725	S	S	*	*			cis	105.3	143.8	-3.3	0	0	0	0	0	114.3
1153	F	28.1	Very low	28.4	Very low	196 Å²	196	136.7 Å²	136.7	86%	0.86	72%	0.723	S	S	*	*			trans	69	157.9	-176.4	-63.1	-89.9	0	0	0	116.1
1154	V	25.6	Very low	28.4	Very low	103 Å²	103	136.8 Å²	136.8	62%	0.624	73%	0.725	S	S	*	*			cis	-174.7	138.1	-43.9	117	0	0	0	0	108.2
1155	E	24.3	Very low	28.7	Very low	171 Å²	171	134 Å²	134	80%	0.799	72%	0.722	S	S	*	*			trans	54.8	173.3	157.7	-63.5	174.7	158.1	0	0	122.2
1156	T	26.5	Very low	28.8	Very low	119 Å²	119	134.5 Å²	134.5	73%	0.73	73%	0.725	S	S	*	*			trans	71	100.3	161.2	55.4	0	0	0	0	121.7
1157	D	25.9	Very low	28.9	Very low	141 Å²	141	136 Å²	136	75%	0.754	73%	0.733	S	S	*	*				43.2	128.4	106.2	-84.3	-44.4	0	0	0	123.1
1158	T	30.5	Very low	28.7	Very low	113 Å²	113	137 Å²	137	69%	0.693	73%	0.733	S	S	*	*			trans	66	163.3	155.3	73.1	0	0	0	0	117.6
1159	Y	30	Very low	28.7	Very low	205 Å²	205	134.9 Å²	134.9	80%	0.804	73%	0.732	S	S	*	*			cis	-133.3	169.4	-9.2	-103.6	-70.8	0	0	0	105.1
1160	C	29.8	Very low	28.4	Very low	92 Å²	92	136 Å²	136	62%	0.622	74%	0.737	S	S	*	*			cis	-164.5	146.7	28.8	-143.5	0	0	0	0	112.4
1161	N	30.4	Very low	28.4	Very low	152 Å²	152	134 Å²	134	81%	0.813	75%	0.748	S	S	*	*			trans	45.9	124.1	152.2	-58.7	-14.3	0	0	0	121.1
1162	G	28.9	Very low	28.2	Very low	63 Å²	63	131.9 Å²	131.9	65%	0.649	75%	0.748	S	S	*	*			cis	162.4	169.5	-5.9	0	0	0	0	0	115.2
1163	T	29.9	Very low	28.3	Very low	120 Å²	120	138 Å²	138	74%	0.736	76%	0.762	S	S	*	*			trans	53.7	103.2	162.3	57.8	0	0	0	0	117.2
1164	N	28.8	Very low	28.2	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	75%	0.753	S	S	*	*				91	145.9	93.5	-71.7	-2	0	0	0	112.4
1165	T	30.6	Very low	28.5	Very low	103 Å²	103	138.4 Å²	138.4	63%	0.632	77%	0.766	S	S	*	*			cis	-164.1	135.4	-15.3	21.3	0	0	0	0	106.9
1166	N	29.9	Very low	28.9	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	76%	0.763	S	S	*	*			trans	61.3	159.8	157.3	-58.8	-1.2	0	0	0	119.2
1167	D	30.2	Very low	29	Very low	158 Å²	158	134.8 Å²	134.8	85%	0.845	76%	0.758	S	S	*	*			trans	66.9	160.9	160.8	-57.9	-32.3	0	0	0	119.2
1168	Q	28.4	Very low	29.3	Very low	185 Å²	185	136 Å²	136	86%	0.864	77%	0.765	S	S	*	*			trans	-74.8	160.6	-154.1	-60.4	166.9	-17.8	0	0	114.3
1169	S	27.8	Very low	29.1	Very low	107 Å²	107	134.2 Å²	134.2	75%	0.748	77%	0.769	S	S	*	*			trans	106.4	137.7	148.1	79.3	0	0	0	0	120.2
1170	T	26.2	Very low	29.1	Very low	113 Å²	113	133.9 Å²	133.9	69%	0.693	78%	0.775	S	S	*	*			trans	53.6	106.7	155.2	52.5	0	0	0	0	120.8
1171	C	26.2	Very low	28.9	Very low	139 Å²	139	138.1 Å²	138.1	94%	0.939	79%	0.785	S	S	*	*			trans	-125.2	99.3	135.2	-83.2	0	0	0	0	109.6
1172	I	28	Very low	28.8	Very low	145 Å²	145	139.5 Å²	139.5	74%	0.744	79%	0.792	S	S	*	*			trans	-110.5	119.3	164.1	-62.5	174	0	0	0	106	N1174	I1172-N1174 HydrophobicContact CG2-CB 4.39Å
1173	M	27.8	Very low	28.7	Very low	190 Å²	190	140.6 Å²	140.6	94%	0.936	80%	0.795	S	S	*	*			trans	-87	125.2	161.2	-69.9	-157.9	-156.2	0	0	108.7
1174	N	27.3	Very low	28.8	Very low	124 Å²	124	142.9 Å²	142.9	66%	0.663	80%	0.799	S	S	*	*			trans	-130.9	126.4	176.9	-175.4	12.7	0	0	0	107.2	I1172	I1172-N1174 HydrophobicContact CG2-CB 4.39Å
1175	M	31.3	Very low	28.9	Very low	184 Å²	184	141.6 Å²	141.6	91%	0.906	79%	0.793	S	S	*	*			trans	-128.6	119.3	176	-77.1	-156.4	170.4	0	0	111.4
1176	N	32.1	Very low	29	Very low	136 Å²	136	142.3 Å²	142.3	73%	0.727	79%	0.793	S	S	*	*			trans	-74.5	146.6	-167.7	-55.5	-48.9	0	0	0	113.7
1177	A	28.8	Very low	29	Very low	78 Å²	78	143.1 Å²	143.1	65%	0.645	79%	0.792	S	S	*	*				61.6	153.5	127.8	0	0	0	0	0	121.7
1178	N	31.8	Very low	29.1	Very low	165 Å²	165	142.5 Å²	142.5	88%	0.882	79%	0.787	S	S	*	*			trans	69.2	127	173.1	-43.8	-34.2	0	0	0	113.7
1179	G	26.6	Very low	29.1	Very low	76 Å²	76	141.8 Å²	141.8	78%	0.784	78%	0.783	S	S	*	*			cis	113.2	84.7	3	0	0	0	0	0	111.8
1180	Q	29.9	Very low	29.4	Very low	199 Å²	199	141.2 Å²	141.2	93%	0.93	78%	0.777	S	S	*	*			trans	-159.5	147.3	161.5	-120.9	168.5	-5.4	0	0	111.1
1181	E	24.9	Very low	29.6	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	78%	0.778	S	S	*	*			trans	-74.4	159.8	171.6	-57.5	155.7	101.5	0	0	110.9
1182	L	30.3	Very low	29.9	Very low	181 Å²	181	144.6 Å²	144.6	95%	0.948	77%	0.772	S	S	*	*			trans	-164.1	110	138	-108.9	162.2	0	0	0	109.7
1183	A	26.6	Very low	29.9	Very low	87 Å²	87	142.5 Å²	142.5	72%	0.719	77%	0.765	S	S	*	*			trans	-95.8	156.7	175.4	0	0	0	0	0	111
1184	M	31	Very low	30	Very low	167 Å²	167	139.8 Å²	139.8	82%	0.823	75%	0.751	S	S	*	*			trans	-158.3	122	145.4	-102.3	-160.2	171.1	0	0	113.3
1185	N	31.5	Very low	30.1	Very low	117 Å²	117	143.2 Å²	143.2	63%	0.626	75%	0.754	S	S	*	*			trans	83.9	117.3	130.4	-64.5	6	0	0	0	122.8
1186	N	32.8	Very low	30	Very low	118 Å²	118	139.8 Å²	139.8	63%	0.631	74%	0.743	S	S	*	*			trans	85.9	130.4	133.1	-67.2	40.8	0	0	0	119.2
1187	E	29.9	Very low	29.7	Very low	156 Å²	156	139.6 Å²	139.6	73%	0.729	74%	0.742	S	S	*	*			cis	-168	163.8	-7.8	-136	161.8	-173.7	0	0	113.7
1188	I	31.2	Very low	29.7	Very low	146 Å²	146	141.6 Å²	141.6	75%	0.749	74%	0.741	S	S	*	*			trans	63.6	98.2	167.7	-33	-171.6	0	0	0	117.6
1189	Q	30.1	Very low	29.7	Very low	169 Å²	169	138.1 Å²	138.1	79%	0.79	73%	0.727	S	S	*	*				72.1	151.7	61	-68.4	-95.6	-34.9	0	0	116.2
1190	P	33	Very low	29.8	Very low	96 Å²	96	139.9 Å²	139.9	62%	0.623	72%	0.718	S	S	*	*			cis	-130.7	-174.2	-48.6	33.6	-12.7	0	0	0	111.8
1191	V	31.5	Very low	29.7	Very low	117 Å²	117	136.9 Å²	136.9	71%	0.709	71%	0.708	S	S	*	*				-176.9	118.2	85.4	157.4	0	0	0	0	111.5
1192	Y	31.5	Very low	30	Very low	206 Å²	206	136.7 Å²	136.7	81%	0.808	71%	0.711	S	S	*	*			trans	60.2	144.1	147.2	-73.6	-112.6	0	0	0	124.4
1193	V	28.3	Very low	29.9	Very low	100 Å²	100	134.2 Å²	134.2	61%	0.606	70%	0.699	S	S	*	*			cis	-179.5	125.3	-36.8	128.3	0	0	0	0	112
1194	E	28.8	Very low	29.9	Very low	134 Å²	134	137.9 Å²	137.9	63%	0.626	70%	0.699	S	S	*	*			trans	64.3	162.8	138.6	-63.1	-165.8	146.8	0	0	122.3
1195	R	29.8	Very low	29.8	Very low	196 Å²	196	136.1 Å²	136.1	74%	0.74	69%	0.693	S	S	*	*			cis	-165.1	175.4	-9.1	-108.7	176	-163	-173.6	22.9	107.2
1196	V	28.5	Very low	29.5	Very low	111 Å²	111	136.3 Å²	136.3	67%	0.673	70%	0.698	S	S	*	*			cis	170.9	123.7	-40.1	136.7	0	0	0	0	109.8
1197	L	27	Very low	29.2	Very low	133 Å²	133	139.6 Å²	139.6	70%	0.696	71%	0.707	S	S	*	*			trans	56.9	156.4	150.4	-57.1	-179	0	0	0	119.8
1198	L	27.8	Very low	29.1	Very low	119 Å²	119	139.5 Å²	139.5	62%	0.623	71%	0.707	S	S	*	*			cis	-156.9	171.3	-11.1	-102.9	162.4	0	0	0	108.4
1199	P	33.4	Very low	28.9	Very low	92 Å²	92	140.9 Å²	140.9	60%	0.597	71%	0.71	S	S	*	*			trans	-104.6	-175.5	-161.2	41.7	-39.9	0	0	0	117.2	T1105	T1105-P1199 PolarHBondContact N-O 3.21Å
1200	L	27.6	Very low	28.8	Very low	114 Å²	114	138.1 Å²	138.1	60%	0.597	71%	0.707	S	S	*	*			trans	-139.9	171.2	153.8	-127.3	-175.7	0	0	0	109.9	Y1104	Y1104-L1200 WeakPolarHBondContact O-CD1 3.38Å
1201	N	29	Very low	28.5	Very low	135 Å²	135	141.1 Å²	141.1	72%	0.722	71%	0.713	S	S	*	*			trans	-132.8	122.2	-158.2	176.2	11.9	0	0	0	113.5
1202	I	30.5	Very low	28.4	Very low	176 Å²	176	147.9 Å²	147.9	90%	0.903	73%	0.726	S	S	*	*			trans	-139.6	154.1	165.9	-64.2	-173.7	0	0	0	109.2
1203	N	27.7	Very low	28.1	Very low	130 Å²	130	144.4 Å²	144.4	70%	0.695	72%	0.721	S	S	*	*			trans	-122	158.2	-155.6	-158.9	-10.9	0	0	0	113.8
1204	K	27.4	Very low	28	Very low	163 Å²	163	144.4 Å²	144.4	71%	0.709	73%	0.725	S	S	*	*			trans	74.4	118.8	161.3	-69.2	-168.9	177.8	178.9	0	122.6
1205	N	28.1	Very low	27.9	Very low	131 Å²	131	148 Å²	148	70%	0.701	74%	0.739	S	S	*	*				89	135.3	124.9	-68.4	13.7	0	0	0	122.6
1206	T	26.5	Very low	27.6	Very low	120 Å²	120	145.4 Å²	145.4	74%	0.736	74%	0.738	S	S	*	*			trans	61.7	125.3	151.8	51.2	0	0	0	0	117.7
1207	F	26.4	Very low	27.5	Very low	187 Å²	187	147.2 Å²	147.2	82%	0.82	74%	0.744	S	S	*	*			cis	-146.3	-170	43.5	-115.9	-84.3	0	0	0	114.2
1208	Q	26.1	Very low	27.3	Very low	154 Å²	154	148.8 Å²	148.8	72%	0.72	75%	0.747	S	S	*	*			trans	-93.6	145	-170.1	-58	159.4	-93.4	0	0	115.2
1209	Q	26.9	Very low	27.3	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	73%	0.734	S	S	*	*			trans	60.6	165.6	144.2	-89.6	-177.8	-19	0	0	119.3
1210	P	29.1	Very low	27	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	73%	0.734	S	S	*	*			cis	-128	179.5	19.5	43.6	-27.5	0	0	0	117.9
1211	E	26.8	Very low	27	Very low	160 Å²	160	149.4 Å²	149.4	75%	0.748	74%	0.743	S	S	*	*			trans	1.1	136.9	153.3	-57.5	169.6	173.9	0	0	120.1
1212	W	28.9	Very low	27	Very low	259 Å²	259	149.5 Å²	149.5	98%	0.981	74%	0.744	S	S	*	*				-153.5	153.8	128	-97.7	93.8	0	0	0	109.4
1213	N	26.2	Very low	27	Very low	133 Å²	133	148.9 Å²	148.9	71%	0.711	74%	0.742	S	S	*	*			trans	-97.4	161.1	-163.8	-70.4	-41.2	0	0	0	115.6
1214	S	25.4	Very low	26.8	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	74%	0.742	S	S	*	*			trans	50.3	120.7	141.4	63.2	0	0	0	0	120.6
1215	F	26.2	Very low	26.7	Very low	209 Å²	209	147.5 Å²	147.5	92%	0.917	74%	0.744	S	S	*	*			trans	-131.8	124.3	144.2	-103.7	-89.6	0	0	0	109.6
1216	I	24.3	Very low	26.6	Very low	142 Å²	142	148.2 Å²	148.2	73%	0.728	74%	0.743	S	S	*	*			trans	-116.4	139.8	173.8	-65.1	174.1	0	0	0	107.4	E1218	I1216-E1218 HydrophobicContact CG2-CG 4.35Å
1217	L	25.7	Very low	26.5	Very low	150 Å²	150	149.2 Å²	149.2	79%	0.785	74%	0.742	S	S	*	*			trans	-133.3	89.8	171.3	-79.5	169.6	0	0	0	109.4
1218	E	23.6	Very low	26.4	Very low	165 Å²	165	146.8 Å²	146.8	77%	0.771	74%	0.737	S	S	*	*			trans	-68	158.4	161.2	-59.8	-176.5	117.6	0	0	111	I1216	I1216-E1218 HydrophobicContact CG2-CG 4.35Å
1219	F	27.1	Very low	26.3	Very low	77 Å²	77	146 Å²	146	34%	0.338	74%	0.737	S	S	.	*			trans	-174.4	170.6	144.5	-88.8	-70.2	0	0	0	108	S1292 S1293	F1219-S1292 VanDerWaalsContact CD2-CB 3.47Å; F1219-S1293 VanDerWaalsContact CE1-C 3.5Å
1220	P	27.4	Very low	26.2	Very low	94 Å²	94	143.5 Å²	143.5	61%	0.61	73%	0.729	S	S	*	*			trans	-124.9	159.2	-156.5	42.2	-31.6	0	0	0	119
1221	Q	28.2	Very low	26.2	Very low	168 Å²	168	144 Å²	144	79%	0.785	73%	0.731	S	S	*	*			trans	62.1	132.3	142.2	-76.5	-171.1	-1.6	0	0	124.3
1222	N	28.2	Very low	26.1	Very low	137 Å²	137	140.7 Å²	140.7	73%	0.733	73%	0.725	S	S	*	*			trans	51.5	121.9	134.9	-55	-14.1	0	0	0	121.6
1223	D	30.5	Very low	26.1	Very low	163 Å²	163	137 Å²	137	87%	0.872	72%	0.716	S	S	*	*				-154.1	174.3	117.8	-141.6	-22.9	0	0	0	112.6
1224	C	24.4	Very low	26.2	Very low	101 Å²	101	135.7 Å²	135.7	68%	0.682	71%	0.71	S	S	*	*			trans	-111.3	148.8	-161.9	-65.9	0	0	0	0	116.6
1225	Q	25.1	Very low	26.5	Very low	163 Å²	163	137 Å²	137	76%	0.762	71%	0.708	S	S	*	*			trans	67.3	133.8	139.1	-79.7	-177.7	-5.1	0	0	123.3
1226	H	25.8	Very low	26.7	Very low	145 Å²	145	133.7 Å²	133.7	67%	0.671	69%	0.694	S	S	*	*			trans	85.3	133.8	133	-80.9	-44.6	0	0	0	123.9
1227	I	24.2	Very low	26.9	Very low	141 Å²	141	135.7 Å²	135.7	72%	0.723	70%	0.7	S	S	*	*			trans	79.2	129.3	135.1	-74.5	171.5	0	0	0	117.4
1228	L	24.9	Very low	26.9	Very low	136 Å²	136	137.1 Å²	137.1	71%	0.712	71%	0.707	S	S	*	*			cis	172.9	177	3.2	-149.3	165.9	0	0	0	105.4
1229	L	24.8	Very low	26.9	Very low	138 Å²	138	140.1 Å²	140.1	72%	0.723	71%	0.712	S	S	*	*			trans	77.5	143.1	165.8	-53.4	170.8	0	0	0	116.6
1230	N	24.2	Very low	26.8	Very low	122 Å²	122	142.3 Å²	142.3	65%	0.652	74%	0.735	S	S	*	*			cis	-159.4	163.8	-3	-136.5	-9	0	0	0	114.3
1231	T	27.6	Very low	26.8	Very low	122 Å²	122	141.6 Å²	141.6	75%	0.748	73%	0.732	S	S	*	*			trans	63.1	147.1	152.2	46.3	0	0	0	0	119.7
1232	S	26.3	Very low	26.6	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	74%	0.743	S	S	*	*			cis	-171.2	134.7	-0.9	148.9	0	0	0	0	111.8
1233	F	28.5	Very low	26.5	Very low	181 Å²	181	143.2 Å²	143.2	79%	0.794	74%	0.74	S	S	*	*			trans	40.5	149.1	145	-62.6	-113	0	0	0	119.9
1234	D	27.4	Very low	26.3	Very low	107 Å²	107	141.3 Å²	141.3	57%	0.572	73%	0.729	S	S	*	*			cis	-160.1	163.7	-10.2	-116.1	25.4	0	0	0	103.5	K1236	D1234-K1236 IonicContact OD2-NZ 2.73Å; D1234-K1236 PolarHBondContact OD2-NZ 3.06Å
1235	D	32.5	Very low	26.5	Very low	125 Å²	125	143 Å²	143	67%	0.668	74%	0.739	S	S	*	*				-165.2	119.2	58.5	-138.2	-29.3	0	0	0	112.6
1236	K	30.5	Very low	26.6	Very low	141 Å²	141	142.9 Å²	142.9	61%	0.613	74%	0.738	S	S	*	*			trans	39.7	102.7	142.4	-60.8	171.2	-162.2	69.1	0	121.2	D1234	D1234-K1236 IonicContact OD2-NZ 2.73Å; D1234-K1236 PolarHBondContact OD2-NZ 3.06Å
1237	H	27.6	Very low	26.8	Very low	183 Å²	183	145.2 Å²	145.2	85%	0.847	75%	0.75	S	S	*	*			trans	55.5	116.9	130.5	-61.5	-57.2	0	0	0	122.2
1238	L	26	Very low	27	Very low	180 Å²	180	145.8 Å²	145.8	94%	0.942	75%	0.753	S	S	*	*				-150.4	149.7	127.6	-113.1	157.9	0	0	0	110.5
1239	R	23.4	Very low	27.2	Very low	229 Å²	229	146.4 Å²	146.4	86%	0.864	76%	0.757	S	S	*	*			trans	-102.1	131.4	-179.8	-70.5	173.9	170.8	171.3	-5.3	110.5
1240	C	26	Very low	27.3	Very low	122 Å²	122	149 Å²	149	82%	0.824	77%	0.765	S	S	*	*			trans	-146.6	119.3	146.4	-83.1	0	0	0	0	105.9
1241	S	26.5	Very low	27.5	Very low	80 Å²	80	150.2 Å²	150.2	56%	0.559	77%	0.772	S	S	*	*				75.7	102.1	56.8	-60.9	0	0	0	0	112.8	H1243	S1241-H1243 VanDerWaalsContact C-N 3.34Å; S1241-H1243 WeakPolarHBondContact CB-CD2 3.43Å; S1241-H1243 PolarHBondContact O-N 3.07Å; S1241-H1243 VanDerWaalsContact O-N 3.08Å
1242	L	23.7	Very low	27.6	Very low	191 Å²	191	150.4 Å²	150.4	100%	1	77%	0.773	S	S	*	*			trans	-71.3	92.7	159.5	-153.1	89.7	0	0	0	106.8
1243	H	27	Very low	27.6	Very low	148 Å²	148	154.4 Å²	154.4	69%	0.685	78%	0.782	S	S	*	*			trans	-99.3	131.2	-164.9	-120.7	-54.1	0	0	0	113	S1241	S1241-H1243 VanDerWaalsContact C-N 3.34Å; S1241-H1243 WeakPolarHBondContact CB-CD2 3.43Å; S1241-H1243 PolarHBondContact O-N 3.07Å; S1241-H1243 VanDerWaalsContact O-N 3.08Å
1244	L	26.1	Very low	27.5	Very low	123 Å²	123	153 Å²	153	64%	0.644	78%	0.782	S	S	*	*			trans	-56	147.3	157	-78.8	68.5	0	0	0	109.7	Q1246	L1244-Q1246 VanDerWaalsContact C-N 3.32Å; L1244-Q1246 PolarHBondContact O-N 3.25Å
1245	P	27.8	Very low	27.6	Very low	137 Å²	137	153.2 Å²	153.2	89%	0.89	79%	0.791	S	S	*	*			trans	-69.5	88.7	166.5	30.2	-34	0	0	0	110.3
1246	Q	27.9	Very low	27.5	Very low	159 Å²	159	153.9 Å²	153.9	74%	0.743	79%	0.794	S	S	*	*			trans	-124.9	83.7	168.2	-77.1	-165.9	-19.6	0	0	110.6	L1244 L1248	L1244-Q1246 VanDerWaalsContact C-N 3.32Å; L1244-Q1246 PolarHBondContact O-N 3.25Å; Q1246-L1248 PolarHBondContact O-N 3.09Å
1247	Q	31	Very low	27.6	Very low	194 Å²	194	152.1 Å²	152.1	91%	0.907	80%	0.8	S	S	*	*			trans	-76.3	99.1	163.3	-83.5	-169.4	-24.8	0	0	110.3	N1249	Q1247-N1249 PolarHBondContact O-N 3.35Å
1248	L	26.6	Very low	27.8	Very low	153 Å²	153	147.6 Å²	147.6	80%	0.801	79%	0.788	S	S	*	*			trans	12.1	101.5	134.6	-68.5	143.9	0	0	0	116.4	Q1246	Q1246-L1248 PolarHBondContact O-N 3.09Å
1249	N	30	Very low	28.1	Very low	149 Å²	149	147.9 Å²	147.9	80%	0.797	78%	0.782	S	S	*	*				-175.2	107.7	107.6	-93.9	-28.2	0	0	0	112.5	Q1247	Q1247-N1249 PolarHBondContact O-N 3.35Å
1250	H	26.8	Very low	28.4	Very low	193 Å²	193	144.4 Å²	144.4	89%	0.894	78%	0.777	S	S	*	*			trans	-109.6	101.6	155	-98.5	-38.8	0	0	0	109
1251	N	29.4	Very low	28.6	Very low	148 Å²	148	143.5 Å²	143.5	79%	0.791	77%	0.772	S	S	*	*			trans	-160.8	140.5	157.3	-102.6	-35.6	0	0	0	108.3
1252	T	28.2	Very low	28.6	Very low	125 Å²	125	149.9 Å²	149.9	77%	0.767	79%	0.79	S	S	*	*			trans	58.1	112.7	-163.3	60.1	0	0	0	0	112.8
1253	Q	26.4	Very low	29.1	Very low	175 Å²	175	146.8 Å²	146.8	82%	0.818	78%	0.782	S	S	*	*				94.6	132.6	50.8	-82.5	-172.4	-47.5	0	0	113.7
1254	L	27.3	Very low	29.2	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	79%	0.788	S	S	*	*			trans	82.3	121.6	161.4	-63.8	154.8	0	0	0	119
1255	C	29.8	Very low	29.5	Very low	111 Å²	111	145.9 Å²	145.9	75%	0.75	80%	0.796	S	S	*	*			trans	68.3	137.9	151.6	-60.7	0	0	0	0	119.3
1256	D	30.7	Very low	29.7	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	79%	0.789	S	S	*	*			cis	-161.6	150.6	-17.1	-145.1	-34.3	0	0	0	111.6
1257	S	32.2	Very low	29.7	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	80%	0.796	S	S	*	*			trans	57.6	163.6	163.4	76.6	0	0	0	0	120.5
1258	S	31.8	Very low	29.9	Very low	88 Å²	88	141.6 Å²	141.6	62%	0.615	79%	0.792	S	S	*	*			cis	-167.9	147.7	-44.7	65.8	0	0	0	0	111.2
1259	K	30.8	Very low	30	Very low	186 Å²	186	139.8 Å²	139.8	81%	0.809	79%	0.792	S	S	*	*			trans	68.2	153.2	161.6	-63.7	166	-176.7	174.7	0	116.4
1260	M	30.4	Very low	30.3	Very low	155 Å²	155	138.4 Å²	138.4	76%	0.764	79%	0.794	S	S	*	*			cis	-155.3	117	-5.8	-110	156.2	62.6	0	0	106.8
1261	S	31.2	Very low	30.7	Very low	103 Å²	103	136.4 Å²	136.4	72%	0.72	79%	0.79	S	S	*	*				72	109.3	90.2	72.7	0	0	0	0	117.4
1262	F	25.7	Very low	30.8	Very low	214 Å²	214	137.5 Å²	137.5	94%	0.939	80%	0.796	S	S	*	*			trans	-82.7	152.6	164.6	-77.3	-97.7	0	0	0	112.5
1263	P	34.5	Very low	30.9	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	79%	0.794	S	S	*	*			trans	-104.8	163	159.9	37.8	-30	0	0	0	112.9
1264	S	28.3	Very low	31	Very low	117 Å²	117	134.9 Å²	134.9	82%	0.818	80%	0.796	S	S	*	*			trans	-137.1	150.6	-177	55.7	0	0	0	0	113.8
1265	V	32	Very low	31.1	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	80%	0.8	S	S	*	*			trans	-148.9	91.7	179.6	-179.6	0	0	0	0	107.3
1266	S	33.5	Very low	31	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	80%	0.801	S	S	*	*				71.5	109.2	80.6	76.8	0	0	0	0	115.4
1267	L	26.7	Very low	30.9	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	80%	0.799	S	S	*	*			trans	-83.4	153.8	174.6	-63.9	97.8	0	0	0	113.3
1268	P	35.9	Very low	30.9	Very low	126 Å²	126	138.3 Å²	138.3	82%	0.818	80%	0.802	S	S	*	*			trans	-88.6	158.3	153.4	36.2	-31.2	0	0	0	112
1269	S	29.6	Very low	30.8	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	81%	0.81	S	S	*	*			trans	-125.7	139.5	-171.3	59.7	0	0	0	0	113.9
1270	S	36	Very low	30.5	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	81%	0.808	S	S	*	*			trans	-157.4	122.7	156.9	60	0	0	0	0	114.5
1271	N	33.8	Very low	30.3	Very low	152 Å²	152	138.9 Å²	138.9	81%	0.813	81%	0.807	S	S	*	*			trans	-36.6	137.9	173.4	-44.6	-27.4	0	0	0	117
1272	N	32	Very low	30	Very low	170 Å²	170	140.7 Å²	140.7	91%	0.909	81%	0.808	S	S	*	*				-162.4	157.3	104.8	-108	-13.5	0	0	0	111.9
1273	S	29.7	Very low	30	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	80%	0.796	S	S	*	*			trans	-137	121.9	-165.3	59.3	0	0	0	0	114.3
1274	T	30.1	Very low	29.7	Very low	142 Å²	142	137.1 Å²	137.1	87%	0.871	80%	0.795	S	S	*	*			trans	-144.8	109.9	153.6	44.5	0	0	0	0	108.9
1275	V	28.6	Very low	29.5	Very low	144 Å²	144	136.8 Å²	136.8	87%	0.873	79%	0.788	S	S	*	*			trans	-90.2	118.9	172	176.8	0	0	0	0	108.2
1276	K	28.4	Very low	29.4	Very low	178 Å²	178	138.2 Å²	138.2	77%	0.774	79%	0.791	S	S	*	*			trans	-95	141.4	161.8	-105.5	-172.3	174.1	-173.8	0	109
1277	P	28.7	Very low	29	Very low	108 Å²	108	139.1 Å²	139.1	70%	0.701	79%	0.792	S	S	*	*			trans	-90.7	98.2	172.1	33.6	-28.9	0	0	0	109.7	L1279	P1277-L1279 PolarHBondContact O-N 2.91Å
1278	D	31	Very low	29.1	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	79%	0.793	S	S	*	*			trans	-74.3	124.6	171.2	-68.2	-29	0	0	0	109.6	I1280	D1278-I1280 PolarHBondContact O-N 3.06Å
1279	L	29.2	Very low	28.8	Very low	148 Å²	148	138.2 Å²	138.2	78%	0.775	79%	0.786	S	S	*	*			trans	-68.5	128.7	-176.6	-96.1	66.6	0	0	0	110.7	P1277 L1281	P1277-L1279 PolarHBondContact O-N 2.91Å; L1279-L1281 VanDerWaalsContact C-N 3.32Å; L1279-L1281 PolarHBondContact O-N 3.15Å
1280	I	26.3	Very low	28.9	Very low	152 Å²	152	139.6 Å²	139.6	78%	0.779	78%	0.783	S	S	*	*			trans	-70.8	93.7	159.2	-59.3	175.9	0	0	0	107.2	D1278 L1282	D1278-I1280 PolarHBondContact O-N 3.06Å; I1280-L1282 VanDerWaalsContact C-N 3.28Å; I1280-L1282 HydrophobicContact CG2-CD1 4.43Å; I1280-L1282 HydrophobicContact CG2-CG 4.16Å; I1280-L1282 PolarHBondContact O-N 3.1Å
1281	L	25.3	Very low	28.6	Very low	141 Å²	141	137.1 Å²	137.1	74%	0.738	77%	0.765	S	S	*	*			trans	-75.2	81.7	175.1	-164.6	79.1	0	0	0	109.9	L1279 Q1283	L1279-L1281 VanDerWaalsContact C-N 3.32Å; L1279-L1281 PolarHBondContact O-N 3.15Å; L1281-Q1283 VanDerWaalsContact C-N 3.32Å; L1281-Q1283 PolarHBondContact O-N 3.27Å
1282	L	25.1	Very low	28.6	Very low	141 Å²	141	133.9 Å²	133.9	74%	0.738	76%	0.755	S	S	*	*			trans	-66.6	89.8	170.3	-94.4	161.2	0	0	0	109.9	I1280 C1284	I1280-L1282 VanDerWaalsContact C-N 3.28Å; I1280-L1282 HydrophobicContact CG2-CD1 4.43Å; I1280-L1282 HydrophobicContact CG2-CG 4.16Å; I1280-L1282 PolarHBondContact O-N 3.1Å; L1282-C1284 VanDerWaalsContact C-N 3.29Å; L1282-C1284 PolarHBondContact O-N 2.89Å
1283	Q	25.1	Very low	28.7	Very low	148 Å²	148	130.2 Å²	130.2	69%	0.692	74%	0.742	S	S	*	*			trans	-76.5	76.9	-179	-164.9	175	12.2	0	0	111.1	L1281 T1285	L1281-Q1283 VanDerWaalsContact C-N 3.32Å; L1281-Q1283 PolarHBondContact O-N 3.27Å; Q1283-T1285 HydrophobicContact CG-CG2 4.5Å; Q1283-T1285 PolarHBondContact O-N 3.05Å
1284	C	27.6	Very low	28.8	Very low	116 Å²	116	131.7 Å²	131.7	78%	0.784	74%	0.742	S	S	*	*			trans	-70.6	83.7	176.8	-69.5	0	0	0	0	112	L1282 N1286	L1282-C1284 VanDerWaalsContact C-N 3.29Å; L1282-C1284 PolarHBondContact O-N 2.89Å; C1284-N1286 PolarHBondContact O-N 2.98Å
1285	T	25.1	Very low	28.9	Very low	111 Å²	111	135.3 Å²	135.3	68%	0.681	74%	0.741	S	S	*	*			trans	-72.7	106.7	167.4	53	0	0	0	0	110.3	Q1283	Q1283-T1285 HydrophobicContact CG-CG2 4.5Å; Q1283-T1285 PolarHBondContact O-N 3.05Å
1286	N	29.4	Very low	28.9	Very low	164 Å²	164	133.4 Å²	133.4	88%	0.877	73%	0.73	S	S	*	*			trans	-145.8	100	165.2	-107.9	-27.8	0	0	0	110.9	C1284	C1284-N1286 PolarHBondContact O-N 2.98Å
1287	T	26.6	Very low	28.8	Very low	125 Å²	125	133 Å²	133	77%	0.767	73%	0.731	S	S	*	*			trans	-78.9	148.4	168.6	50.9	0	0	0	0	111
1288	L	28.1	Very low	29	Very low	171 Å²	171	136.2 Å²	136.2	90%	0.895	74%	0.736	S	S	*	*			trans	174.5	164.5	137.6	-89.9	159.5	0	0	0	109.4
1289	P	29.6	Very low	28.8	Very low	104 Å²	104	137.2 Å²	137.2	68%	0.675	74%	0.735	S	S	*	*			trans	-124.4	-168.5	-144.4	44.3	-32.5	0	0	0	114.1
1290	I	31.6	Very low	28.9	Very low	146 Å²	146	141.8 Å²	141.8	75%	0.749	74%	0.743	S	S	*	*			trans	178.1	168.7	133.2	-93.3	157.6	0	0	0	111.6
1291	S	30.3	Very low	28.9	Very low	66 Å²	66	139.2 Å²	139.2	46%	0.462	74%	0.738	S	S	.	*			trans	-143.2	150	-153.5	50.6	0	0	0	0	116.6
1292	S	32.7	Very low	29	Very low	84 Å²	84	139.4 Å²	139.4	59%	0.587	75%	0.745	S	S	*	*			trans	144.9	85.7	166.4	47.2	0	0	0	0	117.9	F1219	F1219-S1292 VanDerWaalsContact CD2-CB 3.47Å
1293	S	34.5	Very low	29.1	Very low	93 Å²	93	139.6 Å²	139.6	65%	0.65	75%	0.746	S	S	*	*				155.3	172.1	84.7	55.5	0	0	0	0	112.6	F1219	F1219-S1293 VanDerWaalsContact CE1-C 3.5Å
1294	N	31.3	Very low	29.3	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	76%	0.755	S	S	*	*			trans	-125.7	156.4	178.7	-100.8	-53.3	0	0	0	110.9
1295	Y	31.8	Very low	29.4	Very low	217 Å²	217	141.6 Å²	141.6	85%	0.851	75%	0.753	S	S	*	*				175.4	129.8	128.3	-112.9	-120.8	0	0	0	116.6
1296	V	30	Very low	29.6	Very low	104 Å²	104	142 Å²	142	63%	0.63	76%	0.757	S	S	*	*			trans	59.3	112.5	140.9	177	0	0	0	0	122.9
1297	Q	25.8	Very low	29.6	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	75%	0.753	S	S	*	*			trans	30.7	129.5	136.6	-54.3	178.4	-29.7	0	0	122
1298	H	32	Very low	29.7	Very low	177 Å²	177	139.6 Å²	139.6	82%	0.819	75%	0.753	S	S	*	*				-158	152	111.1	-119.7	-80.7	0	0	0	114.2
1299	H	28.2	Very low	29.7	Very low	168 Å²	168	141.2 Å²	141.2	78%	0.778	76%	0.758	S	S	*	*			trans	-62.7	143.1	-177	-56.2	-94.8	0	0	0	115.3
1300	R	30.1	Very low	29.8	Very low	245 Å²	245	141.1 Å²	141.1	93%	0.925	76%	0.76	S	S	*	*				-171.2	158.2	96	-104.2	-179.3	177	176.4	0.1	114.5
1301	S	25.7	Very low	29.6	Very low	98 Å²	98	141.9 Å²	141.9	69%	0.685	77%	0.766	S	S	*	*			trans	-99.6	143.8	-171.4	53.3	0	0	0	0	114.1
1302	V	29.3	Very low	29.6	Very low	144 Å²	144	144.1 Å²	144.1	87%	0.873	78%	0.777	S	S	*	*			trans	-138.8	123.8	145	-179.8	0	0	0	0	107.7
1303	L	26.3	Very low	29.3	Very low	146 Å²	146	146.6 Å²	146.6	76%	0.764	79%	0.788	S	S	*	*			trans	-89.1	150.3	166	-84.8	75.7	0	0	0	109.5
1304	L	30	Very low	29.1	Very low	169 Å²	169	148.5 Å²	148.5	89%	0.885	79%	0.789	S	S	*	*			trans	-154.5	156.7	142.2	-108.6	167	0	0	0	109.8
1305	N	28.8	Very low	29	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	79%	0.793	S	S	*	*			trans	-81.9	154.2	-156.4	-79	-9.6	0	0	0	115.8
1306	P	29.6	Very low	28.9	Very low	118 Å²	118	146.5 Å²	146.5	77%	0.766	79%	0.792	S	S	*	*			trans	-86.2	133.7	166	34.6	-31.9	0	0	0	112.2
1307	T	29.6	Very low	29	Very low	131 Å²	131	147.3 Å²	147.3	80%	0.804	79%	0.793	S	S	*	*			trans	-154.3	162.7	162.6	36.4	0	0	0	0	110.8
1308	S	27.9	Very low	29.4	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	79%	0.792	S	S	*	*			trans	61.9	87.9	173.8	60	0	0	0	0	117.7
1309	M	29.4	Very low	29.6	Very low	204 Å²	204	142.1 Å²	142.1	100%	1.005	78%	0.783	S	S	*	*			trans	-119.8	117.5	130.5	-82.1	-161.2	167.2	0	0	108.4
1310	S	30.9	Very low	29.8	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	78%	0.783	S	S	*	*			trans	-109.7	147	-179.6	54.2	0	0	0	0	110.7	T1312	S1310-T1312 PolarHBondContact O-N 3.38Å
1311	N	27.1	Very low	30	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	77%	0.771	S	S	*	*			trans	-39.5	132.2	171.2	-57.7	-26.7	0	0	0	113.5
1312	T	29.8	Very low	30.2	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	77%	0.773	S	S	*	*			trans	-151.5	83.9	146.1	-23.1	0	0	0	0	111.6	S1310 I1314	S1310-T1312 PolarHBondContact O-N 3.38Å; T1312-I1314 HydrophobicContact CG2-CD1 3.98Å; T1312-I1314 HydrophobicContact CG2-CG1 3.65Å; T1312-I1314 PolarHBondContact O-N 3.15Å
1313	V	26.6	Very low	30.4	Very low	136 Å²	136	134.1 Å²	134.1	82%	0.824	77%	0.77	S	S	*	*			trans	-72.5	115.2	156.8	175.1	0	0	0	0	106.6
1314	I	31	Very low	30.7	Very low	132 Å²	132	135.9 Å²	135.9	68%	0.677	77%	0.771	S	S	*	*			trans	-104.9	104.5	173.7	-60.2	-176.9	0	0	0	108.4	T1312 L1316	T1312-I1314 HydrophobicContact CG2-CD1 3.98Å; T1312-I1314 HydrophobicContact CG2-CG1 3.65Å; T1312-I1314 PolarHBondContact O-N 3.15Å; I1314-L1316 HydrophobicContact CG2-CG 4.46Å
1315	L	28.2	Very low	30.7	Very low	154 Å²	154	135 Å²	135	81%	0.806	77%	0.767	S	S	*	*			trans	-70.3	129.2	168.6	-74.4	158.4	0	0	0	110
1316	L	31.2	Very low	31.1	Very low	158 Å²	158	133.9 Å²	133.9	83%	0.827	77%	0.768	S	S	*	*			trans	-137.8	88.9	160.2	-75.9	179.2	0	0	0	109.7	I1314	I1314-L1316 HydrophobicContact CG2-CG 4.46Å
1317	D	31.8	Very low	31.3	Very low	120 Å²	120	137 Å²	137	64%	0.642	77%	0.769	S	S	*	*			trans	-65.4	138.4	159.5	-178.4	22.5	0	0	0	109.1	N1319	D1317-N1319 PolarHBondContact OD1-N 3.16Å; D1317-N1319 PolarHBondContact OD1-ND2 3.03Å
1318	P	34.1	Very low	31.3	Very low	119 Å²	119	135.9 Å²	135.9	77%	0.773	77%	0.767	S	S	*	*				-141.2	101.9	126	34.2	-19.3	0	0	0	113.8
1319	N	36.1	Very low	31.6	Very low	119 Å²	119	138 Å²	138	64%	0.636	77%	0.774	S	S	*	*			trans	-58.3	143.2	160.5	-91.8	-85.1	0	0	0	112.9	D1317	D1317-N1319 PolarHBondContact OD1-N 3.16Å; D1317-N1319 PolarHBondContact OD1-ND2 3.03Å
1320	T	31.9	Very low	31.8	Very low	128 Å²	128	134.8 Å²	134.8	79%	0.785	76%	0.761	S	S	*	*			trans	68.9	162.2	162.9	71.4	0	0	0	0	118.6
1321	P	35.8	Very low	32	Very low	103 Å²	103	138.5 Å²	138.5	67%	0.669	76%	0.764	S	S	*	*				-137.1	161	-50.2	37.9	-23.7	0	0	0	114.4
1322	S	29.5	Very low	32.3	Very low	104 Å²	104	141.3 Å²	141.3	73%	0.727	76%	0.763	S	S	*	*			trans	48.2	127	147.1	66.2	0	0	0	0	121.5
1323	L	32	Very low	32.4	Very low	152 Å²	152	142.3 Å²	142.3	80%	0.796	76%	0.764	S	S	*	*			trans	-172.3	115.3	130	-103.8	161.1	0	0	0	115.1
1324	K	33.8	Very low	32.7	Very low	183 Å²	183	144.4 Å²	144.4	80%	0.796	77%	0.769	S	S	*	*			trans	31.1	107.1	145.2	-64.7	173.1	-172.1	172.9	0	121
1325	N	29.2	Very low	32.6	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	77%	0.771	S	S	*	*			trans	-23.3	136.4	141.4	-173.5	-9.7	0	0	0	116.1	K1327	N1325-K1327 PolarHBondContact OD1-N 3.04Å; N1325-K1327 VanDerWaalsContact OD1-N 3.08Å
1326	P	37.2	Very low	32.8	Very low	115 Å²	115	143.5 Å²	143.5	75%	0.747	78%	0.775	S	S	*	*				-142.1	120.8	128.5	36	-21.1	0	0	0	116.8
1327	K	34	Very low	32.9	Very low	183 Å²	183	140.1 Å²	140.1	80%	0.796	76%	0.764	S	S	*	*			trans	41.4	108.5	130.2	-69.3	-172.1	175.2	-176.6	0	120.9	N1325	N1325-K1327 PolarHBondContact OD1-N 3.04Å; N1325-K1327 VanDerWaalsContact OD1-N 3.08Å
1328	S	30.6	Very low	32.9	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	78%	0.777	S	S	*	*				57.3	121.8	125.8	68.5	0	0	0	0	122.4
1329	V	34	Very low	32.8	Very low	152 Å²	152	143.1 Å²	143.1	92%	0.921	77%	0.774	S	S	*	*			trans	-132.3	144.8	139.4	179.4	0	0	0	0	108.2
1330	N	33.5	Very low	32.8	Very low	137 Å²	137	144.1 Å²	144.1	73%	0.733	78%	0.78	S	S	*	*			trans	-140	143.8	-171.3	-177.1	10.6	0	0	0	111
1331	K	34.3	Very low	32.8	Very low	181 Å²	181	144.7 Å²	144.7	79%	0.787	78%	0.777	S	S	*	*			trans	163.6	139.9	171.4	-98.5	154.2	-173.7	174.7	0	109
1332	R	33.1	Very low	32.8	Very low	221 Å²	221	147.1 Å²	147.1	83%	0.834	78%	0.782	S	S	*	*			cis	-143.8	137.1	4.9	-46	176.7	-165.3	-173.9	3.8	106.4
1333	N	32.8	Very low	32.9	Very low	135 Å²	135	147.3 Å²	147.3	72%	0.722	78%	0.779	S	S	*	*				58	96.7	67.5	-77.4	65	0	0	0	115.4
1334	I	33.2	Very low	33.1	Very low	180 Å²	180	145.8 Å²	145.8	92%	0.923	78%	0.778	S	S	*	*				-130.9	134.1	128.1	-61.9	-176.2	0	0	0	106.1
1335	D	29.5	Very low	33.2	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	78%	0.779	S	S	*	*			trans	-153.9	144.7	-174.9	178.1	18.1	0	0	0	108.1
1336	C	31.8	Very low	33.3	Very low	132 Å²	132	142.1 Å²	142.1	89%	0.892	78%	0.779	S	S	*	*			trans	-168.1	104.9	171	-116.6	0	0	0	0	111.6
1337	S	31.9	Very low	33	Very low	86 Å²	86	140.9 Å²	140.9	60%	0.601	77%	0.773	S	S	*	*			trans	-78.9	163.6	-177.6	59.3	0	0	0	0	115.7
1338	V	32.9	Very low	32.9	Very low	151 Å²	151	140 Å²	140	92%	0.915	77%	0.772	S	S	*	*			trans	-125.7	143.3	145.5	-177.3	0	0	0	0	108.4
1339	Q	32.1	Very low	32.9	Very low	151 Å²	151	142 Å²	142	71%	0.706	77%	0.769	S	S	*	*			trans	-120.4	-177.9	-167.8	-59.3	179.8	-78.4	0	0	113.2
1340	N	35	Very low	32.9	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	76%	0.756	S	S	*	*			trans	96.6	145.5	161	-54.9	-34.7	0	0	0	115.7
1341	I	33.4	Very low	33	Very low	140 Å²	140	142.6 Å²	142.6	72%	0.718	76%	0.758	S	S	*	*			cis	-154.8	142.9	16.7	-140.7	156.5	0	0	0	114.8
1342	I	35	Very low	33	Very low	153 Å²	153	138 Å²	138	79%	0.785	75%	0.748	S	S	*	*			trans	70.5	150.4	150.5	-73.2	163.7	0	0	0	123
1343	T	31.8	Very low	33.2	Very low	109 Å²	109	134.1 Å²	134.1	67%	0.669	74%	0.744	S	S	*	*			trans	-111	170.4	179.4	54.2	0	0	0	0	112.9
1344	P	37.1	Very low	33.5	Very low	119 Å²	119	133.7 Å²	133.7	77%	0.773	75%	0.752	S	S	*	*				-138	154.8	102.1	23.3	-2.6	0	0	0	112.5
1345	I	34.3	Very low	33.6	Very low	160 Å²	160	128.5 Å²	128.5	82%	0.821	74%	0.742	S	S	*	*				69.9	133.1	56.3	-57.1	175.9	0	0	0	112.7
1346	A	31.1	Very low	33.8	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	76%	0.755	S	S	*	*			trans	-130.3	152.5	-170.7	0	0	0	0	0	112.4
1347	S	31.4	Very low	34	Very low	89 Å²	89	131.8 Å²	131.8	62%	0.622	75%	0.748	S	S	*	*			trans	-173.9	155.5	142.5	64.9	0	0	0	0	111.8
1348	E	31.5	Very low	34.3	Very low	163 Å²	163	132.5 Å²	132.5	76%	0.762	76%	0.759	S	S	*	*			trans	60.5	150.8	155.8	-69.6	125.8	-167.1	0	0	119.4
1349	E	31.8	Very low	34.5	Very low	151 Å²	151	129.9 Å²	129.9	71%	0.706	75%	0.747	S	S	*	*			cis	-152.2	140.1	-2.9	-130.6	173.5	178.7	0	0	113.9
1350	Q	32.9	Very low	34.7	Very low	137 Å²	137	130.1 Å²	130.1	64%	0.64	75%	0.753	S	S	*	*			trans	39.4	133.5	139.8	-72.8	176.6	47.2	0	0	125.6
1351	H	35.4	Very low	34.7	Very low	165 Å²	165	132.1 Å²	132.1	76%	0.764	76%	0.758	S	S	*	*			trans	66.4	149.7	138.3	-66.1	-45	0	0	0	121.4
1352	S	34.3	Very low	34.8	Very low	84 Å²	84	133.2 Å²	133.2	59%	0.587	76%	0.76	S	S	*	*			cis	-162.5	172.6	-16.3	58.1	0	0	0	0	113.1
1353	D	37.6	Very low	34.9	Very low	140 Å²	140	132.2 Å²	132.2	75%	0.749	76%	0.756	S	S	*	*			trans	74.6	122	151.9	-60.4	-51.6	0	0	0	124.5
1354	S	38.5	Very low	35.1	Very low	126 Å²	126	131.8 Å²	131.8	88%	0.881	76%	0.758	S	S	*	*			trans	70.5	149.4	148.3	74.1	0	0	0	0	120.6
1355	G	35.2	Very low	35.2	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	75%	0.753	S	S	*	*			cis	162.4	111.7	-14.9	0	0	0	0	0	117.1
1356	R	35.3	Very low	35.5	Very low	265 Å²	265	133.6 Å²	133.6	100%	1	75%	0.754	S	S	*	*			trans	61.4	127.7	159.7	-69.7	-177.1	170.9	-175.5	-3.2	121.1
1357	G	35	Very low	35.9	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	75%	0.75	S	S	*	*			trans	150.9	120.6	167.4	0	0	0	0	0	107.7
1358	A	38.3	Very low	36	Very low	102 Å²	102	139.4 Å²	139.4	84%	0.843	76%	0.757	S	S	*	*				65.9	131	55.1	0	0	0	0	0	113
1359	S	38.1	Very low	36.1	Very low	95 Å²	95	140.2 Å²	140.2	66%	0.664	76%	0.761	S	S	*	*			cis	-171.9	134.4	-12.7	44.3	0	0	0	0	109.9
1360	D	34.8	Very low	36	Very low	156 Å²	156	145.3 Å²	145.3	83%	0.834	78%	0.784	S	S	*	*			trans	57.6	169.2	157.3	-52.7	-36.9	0	0	0	120.8
1361	E	35.1	Very low	36.2	Very low	183 Å²	183	145.8 Å²	145.8	86%	0.855	79%	0.792	S	S	*	*			trans	74.6	133.3	169.9	-69.7	-171.7	162	0	0	122.1
1362	E	36.7	Very low	36.2	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.762	79%	0.793	S	S	*	*			trans	73.1	119.2	150.1	-74.2	-151.4	169.6	0	0	124.5
1363	N	36.2	Very low	36.3	Very low	132 Å²	132	148.1 Å²	148.1	71%	0.706	80%	0.804	S	S	*	*				85.4	124	126.5	-86.3	-45.3	0	0	0	122.9
1364	S	36.6	Very low	36.2	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	81%	0.808	S	S	*	*			trans	93.9	117.2	130.5	-158.9	0	0	0	0	120.9
1365	S	39.6	Very low	36.1	Very low	94 Å²	94	150 Å²	150	66%	0.657	80%	0.803	S	S	*	*			trans	85.6	145.7	140.9	83.3	0	0	0	0	120.4
1366	R	39.3	Very low	36.2	Very low	222 Å²	222	155.3 Å²	155.3	84%	0.838	81%	0.809	S	S	*	*			trans	69.5	104.5	160.5	-68.3	167	177.4	-172.7	-2	115.8
1367	I	39.5	Very low	36.2	Very low	139 Å²	139	147.5 Å²	147.5	71%	0.713	80%	0.795	S	S	*	*				100.5	122.7	56.5	-82	170.6	0	0	0	110.8
1368	H	34.6	Very low	36.3	Very low	168 Å²	168	153.4 Å²	153.4	78%	0.778	80%	0.8	S	S	*	*			trans	70.4	131.1	166.4	-71.8	-42.7	0	0	0	121.3
1369	Q	33.7	Very low	36.1	Very low	181 Å²	181	157.7 Å²	157.7	85%	0.846	80%	0.796	S	S	*	*			trans	71.3	87	147.3	-68.2	171.2	-4.3	0	0	117.1
1370	H	29.6	Very low	36	Very low	258 Å²	258	163.4 Å²	163.4	100%	1.194	81%	0.808	S	S	*	*				-126.1	0	99.8	-143.6	-44.3	0	0	0	111.2

Retrieved 1,370 of 1,370 residues in 314.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).