A0A077YVT2_TRITR Loading...

DOMON domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,102 aa.

						>A0A077YVT2_TRITR|A0A077YVT2
MNAGRIATAARKENAYLSKRRTLRGDYAFVNQAHTEESAPKEENELELILQCPKRSWLAIGWISDDVVQIDTIEATGDPAGFVDALVTSAPQPVTLTNVAISVELPVVSDEPASVLAETCFGEMRWPSDCTECRYHLSWSYSEDTQLIDFSLETQLPPNSWSGVGFSQSSAGVGADVFVVKSLGNQISIADMHVDEYGNFVLDDSQNHLNHTVVGSHSDGILRAAFSRPRTTLEKHDAQTTDQHCYYMIFYVEGGHIGSKGEIMPPAETARISQDKVCIKPCAPTTSQTYCPREFKYPADCTKDDCEYQAVWDYDIESDKVTFTVSSRTDGKRWTGIGFSRTGSMAIELLFQEVHLPLQLNSDIVIGWVHNGQAVITDRFAYGKHQPAIDKFQDIFDVSGRFENGVQTITFSRNVTTTDHREDLPLAECLYFLFPVGGGPLVVKNDDDFLSSKAMVGYHDVHQPIVSPQPICLLCDQTKPTLEPDSAGKNAGPKMLRKRQTTNNNALDFACNDVITIAAFGKLSRVSAPPQSDSAIVWADGHDVDGRTTIALRHKLDTSKSHLLPNDRTTLLWAKEEYTIKEAGQNDNPLHDTEVKNPMITFNAMDSYKSGKFLINFFERNPDKESTACSGAFKFPENCNKDNCQYSASWNRYGNDVEFSLAFNGIPTEWSAIGFSKNGSIVGSDVVVMSILPDSKVEVTDRFTSNFRTSSIDEQQNIFNIRTEYKSSQAKVTFSRSLATSDEMNDVSLNDCVYFLYHIKNGKLNDAGRIIMDSSNVMRSKSLICLGQCRTVDIETTATTVQPAGKPLPPPPGSLKRYRLRFDVTNMNITDELSNLSEDGSPELLHKMEKAVKLVLLGKFKDAQIHVSSLSDHQVDMEITAKNADVQTLYDVIIPAARQHRFYSYDIDPNSVNIVQLDQSPSAEEVRNYVIIAVISVFILLAIILTVCILWQARKRRSKYPPRRIMDKKRYVNQNYPLHYPKVFPMPMYEHARHYSSPSALTSKENVSNARQVNGHHQERVPPRSALNPMFTTTYGEWRERITPEGLPQPPPYAGGHPAHDATAYQYDSWQQPYVTYPTDSLSYYSLNGTQKMGEQSSSKGK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	30.8	Very low	236 Å²	236	138.9 Å²	138.9	100%	1.163	81%	0.806	S	S	*	*				0	111.2	0	-71.1	175.1	173.5	0	0	107.6
2	N	37.7	Very low	30.5	Very low	149 Å²	149	137.4 Å²	137.4	80%	0.797	78%	0.782	S	S	*	*			cis	-141.4	106.5	-13.3	-89.9	-15.3	0	0	0	104.3
3	A	33.9	Very low	30.4	Very low	106 Å²	106	136.4 Å²	136.4	88%	0.876	77%	0.767	S	S	*	*				73	126.1	98.6	0	0	0	0	0	111.5
4	G	33.6	Very low	30.3	Very low	65 Å²	65	136.9 Å²	136.9	67%	0.67	77%	0.767	S	S	*	*			cis	175.6	137.9	8.7	0	0	0	0	0	105.4
5	R	29.9	Very low	30.3	Very low	231 Å²	231	133.3 Å²	133.3	87%	0.872	76%	0.761	S	S	*	*				73.9	127.7	97.3	-102	-174.9	176.3	-173.5	2.5	114.8
6	I	30	Very low	30	Very low	149 Å²	149	138.3 Å²	138.3	76%	0.764	77%	0.766	S	S	*	*			trans	78.2	139.1	142.1	-58.5	163.1	0	0	0	114.1
7	A	28.4	Very low	29.9	Very low	72 Å²	72	138.8 Å²	138.8	60%	0.595	77%	0.766	S	S	*	*			cis	-175.7	161.9	-17.1	0	0	0	0	0	105.7
8	T	27.7	Very low	29.7	Very low	133 Å²	133	136.4 Å²	136.4	82%	0.816	76%	0.761	S	S	*	*			trans	55.8	114.2	146	35.5	0	0	0	0	120.7
9	A	26.8	Very low	29.8	Very low	96 Å²	96	140.1 Å²	140.1	79%	0.793	77%	0.768	S	S	*	*				92.1	128.7	119.7	0	0	0	0	0	119.8
10	A	27.6	Very low	29.6	Very low	93 Å²	93	144.8 Å²	144.8	77%	0.769	77%	0.774	S	S	*	*			trans	89.9	106.3	144.9	0	0	0	0	0	119.2
11	R	26.9	Very low	29.6	Very low	198 Å²	198	149.5 Å²	149.5	75%	0.747	78%	0.781	S	S	*	*			trans	69.8	112	130.8	-87.8	-173	165.7	167.1	-5.7	119.3	E43	R11-E43 IonicContact NH2-OE1 3.26Å
12	K	27.6	Very low	29.3	Very low	121 Å²	121	143.8 Å²	143.8	53%	0.526	76%	0.759	S	S	.	*				107.1	126.2	111.8	-95.1	-173.5	170	-133	0	118.1
13	E	29.3	Very low	28.9	Very low	124 Å²	124	144.6 Å²	144.6	58%	0.579	76%	0.763	S	S	*	*			trans	89.1	112.4	137.1	-80	168.6	-161.7	0	0	119.4
14	N	29.3	Very low	28.6	Very low	143 Å²	143	150.5 Å²	150.5	77%	0.765	76%	0.762	S	S	*	*			trans	70.3	119.4	130.8	-62.8	-18.9	0	0	0	118
15	A	29.4	Very low	28.5	Very low	83 Å²	83	150.2 Å²	150.2	69%	0.686	76%	0.759	S	S	*	*				166	133	89.3	0	0	0	0	0	111.7
16	Y	25.4	Very low	28.4	Very low	214 Å²	214	146 Å²	146	84%	0.839	75%	0.754	S	S	*	*			trans	59.4	121.5	130.6	-91.2	-92.3	0	0	0	121.6
17	L	28.1	Very low	28.4	Very low	147 Å²	147	150.3 Å²	150.3	77%	0.77	76%	0.762	S	S	*	*				158.3	118.4	105.1	-93.9	144.4	0	0	0	115
18	S	26.6	Very low	28.4	Very low	96 Å²	96	150.4 Å²	150.4	67%	0.671	76%	0.764	S	S	*	*			trans	65.3	131.2	131.6	90.9	0	0	0	0	122
19	K	31.3	Very low	28.5	Very low	205 Å²	205	153.8 Å²	153.8	89%	0.891	77%	0.767	S	S	*	*				-165.2	125.1	106.7	-108.2	170.7	-178	173.5	0	113.7
20	R	26.3	Very low	28.5	Very low	234 Å²	234	154.1 Å²	154.1	88%	0.883	76%	0.759	S	S	*	*			trans	-74.8	155.7	167.6	-75.3	176	172	178.3	-3.7	112.2
21	R	30.5	Very low	28.4	Very low	245 Å²	245	155.3 Å²	155.3	93%	0.925	75%	0.752	S	S	*	*			trans	-161.3	94.6	132.7	-111	178.6	-179.5	-176.8	-0.5	109.7
22	T	28.5	Very low	28.4	Very low	116 Å²	116	154.2 Å²	154.2	71%	0.712	76%	0.756	S	S	*	*				61.7	120.6	90.8	-16.1	0	0	0	0	116.4
23	L	30.7	Very low	28.3	Very low	165 Å²	165	152.4 Å²	152.4	86%	0.864	76%	0.764	S	S	*	*			trans	173.4	136.2	133.4	-89.1	163.3	0	0	0	107.3
24	R	27.7	Very low	28.3	Very low	230 Å²	230	155.3 Å²	155.3	87%	0.868	78%	0.777	S	S	*	*			cis	-178.9	145.2	-25.7	-156.5	-178.2	-165.9	-176.3	3	105.4
25	G	30.1	Very low	28.3	Very low	59 Å²	59	154.2 Å²	154.2	61%	0.608	78%	0.775	S	S	*	*			trans	121	82.3	167.6	0	0	0	0	0	113
26	D	28.2	Very low	28.2	Very low	143 Å²	143	159.4 Å²	159.4	77%	0.765	79%	0.786	S	S	*	*				71.6	107	90.5	-60.8	-23.9	0	0	0	110.5
27	Y	31.1	Very low	28.3	Very low	239 Å²	239	158 Å²	158	94%	0.937	79%	0.787	S	S	*	*				-156.6	151.7	71.4	-94.7	-95.2	0	0	0	113
28	A	27.4	Very low	28.2	Very low	75 Å²	75	156.4 Å²	156.4	62%	0.62	79%	0.788	S	S	*	*			trans	-105	148.7	-174.9	0	0	0	0	0	113.5
29	F	29.7	Very low	28.3	Very low	204 Å²	204	156.6 Å²	156.6	90%	0.895	80%	0.795	S	S	*	*			trans	-164.7	97.8	141.9	-93.8	-76.4	0	0	0	107.3
30	V	27	Very low	28.1	Very low	102 Å²	102	151.1 Å²	151.1	62%	0.618	78%	0.781	S	S	*	*				79	123	76.9	174.2	0	0	0	0	114.7
31	N	25.7	Very low	28.2	Very low	118 Å²	118	148.4 Å²	148.4	63%	0.631	78%	0.775	S	S	*	*			trans	78.1	135.3	160.8	-64.3	-15.6	0	0	0	118.6	K522	N31-K522 PolarHBondContact O-NZ 3.43Å
32	Q	27.2	Very low	28.6	Very low	175 Å²	175	140.9 Å²	140.9	82%	0.818	75%	0.75	S	S	*	*			cis	-158.1	125.7	12	-110.9	158.8	-27.6	0	0	106.6
33	A	25.7	Very low	29.6	Very low	84 Å²	84	143.1 Å²	143.1	69%	0.694	75%	0.753	S	S	*	*				71	101.9	96.3	0	0	0	0	0	116.7
34	H	29.5	Very low	31	Very low	184 Å²	184	138.9 Å²	138.9	85%	0.852	73%	0.731	S	S	*	*			trans	-164.3	90.5	137	-98.3	-61.5	0	0	0	107.4
35	T	27.6	Very low	32.6	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	70%	0.699	S	S	*	*				61	108.7	98.7	51.9	0	0	0	0	114.8	E37	T35-E37 PolarHBondContact O-N 3.41Å
36	E	29	Very low	34.4	Very low	193 Å²	193	128.3 Å²	128.3	90%	0.902	68%	0.677	S	S	*	*			trans	-43.7	119.1	158.3	-66.1	169.3	135.6	0	0	111.4
37	E	26.3	Very low	36.5	Very low	184 Å²	184	126.4 Å²	126.4	86%	0.86	66%	0.663	S	S	*	*			trans	-164.6	134.6	146.6	-130.5	164.6	169.1	0	0	111.4	T35	T35-E37 PolarHBondContact O-N 3.41Å
38	S	27.2	Very low	38.3	Very low	114 Å²	114	116 Å²	116	80%	0.797	62%	0.624	S	S	*	*			trans	75.4	90.4	170.2	71.9	0	0	0	0	118.7
39	A	27.4	Very low	40.4	Very low	100 Å²	100	117.5 Å²	117.5	83%	0.826	62%	0.62	S	S	*	*			trans	-79.5	126.4	151.6	0	0	0	0	0	109.8
40	P	26.5	Very low	42.3	Very low	90 Å²	90	109.8 Å²	109.8	58%	0.584	59%	0.588	S	S	*	*			trans	-78.2	136.1	149.7	10.8	6.1	0	0	0	108.8	E42	P40-E42 HydrophobicContact CB-CG 4.48Å; P40-E42 PolarHBondContact O-N 3.2Å
41	K	29.5	Very low	44.2	Very low	177 Å²	177	110.8 Å²	110.8	77%	0.77	59%	0.586	S	S	*	*			trans	-73.7	102.7	168.8	-69.2	168	178.8	166.5	0	107.8
42	E	39.7	Very low	46.1	Very low	86 Å²	86	105.9 Å²	105.9	40%	0.402	56%	0.561	S	S	.	*			trans	-116.7	93.8	173.8	-77.8	175.2	127.8	0	0	109	P40 N44 E45 K555	P40-E42 HydrophobicContact CB-CG 4.48Å; P40-E42 PolarHBondContact O-N 3.2Å; E42-N44 PolarHBondContact O-N 3.13Å; E42-E45 HydrophobicContact CB-CG 3.9Å; E42-E45 WeakPolarHBondContact CB-OE1 3.4Å; E42-K555 IonicContact OE1-NZ 3.78Å
43	E	49.4	Very low	47.5	Very low	164 Å²	164	102 Å²	102	77%	0.766	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	5.5	-179.2	-73.7	-178.3	164.1	0	0	113.5	R11	R11-E43 IonicContact NH2-OE1 3.26Å
44	N	60	Low	49.3	Very low	75 Å²	75	103.4 Å²	103.4	40%	0.401	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	39.2	-172.9	-71.1	-8.5	0	0	0	111.8	E42 K555 L556 D557	E42-N44 PolarHBondContact O-N 3.13Å; N44-K555 CarbonylContact O-C 3.54Å; N44-K555 WeakPolarHBondContact O-CA 3.2Å; N44-L556 WeakPolarHBondContact O-CB 3.32Å; N44-L556 PolarHBondContact O-N 3.15Å; N44-D557 HydrophobicContact CB-CB 4.03Å; N44-D557 VanDerWaalsContact ND2-CB 3.32Å; N44-D557 WeakPolarHBondContact ND2-CB 3.42Å; N44-D557 PolarHBondContact ND2-OD2 3.28Å; N44-D557 VanDerWaalsContact ND2-OD2 3.13Å
45	E	61.5	Low	51	Low	41 Å²	41	99.9 Å²	99.9	19%	0.192	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.1	179.5	-64.3	-176.2	176.1	0	0	113.1	E42 V537 H554 K555	E42-E45 HydrophobicContact CB-CG 3.9Å; E42-E45 WeakPolarHBondContact CB-OE1 3.4Å; E45-V537 HydrophobicContact CG-CG2 4.44Å; E45-V537 WeakPolarHBondContact OE1-CG2 3.41Å; E45-H554 CarbonylContact C-O 3.54Å; E45-H554 WeakPolarHBondContact CA-O 3.26Å; E45-K555 HydrophobicContact CG-CG 4.16Å
46	L	67.9	Low	52.7	Low	27 Å²	27	94.5 Å²	94.5	14%	0.141	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.5	173	179	69.6	0	0	0	109.4	L48 R553 H554 L556 L563 F617	L46-L48 HydrophobicContact CD2-CD1 3.8Å; L46-L48 HydrophobicContact CD2-CG 4.36Å; L46-L48 HydrophobicContact CG-CD1 4.22Å; L46-L48 HydrophobicContact CG-CG 4.4Å; L46-R553 CarbonylContact O-C 3.53Å; L46-R553 VanDerWaalsContact O-CA 3.27Å; L46-R553 WeakPolarHBondContact O-CA 3.4Å; L46-H554 PolarHBondContact N-O 2.95Å; L46-H554 PolarHBondContact O-N 3.46Å; L46-L556 HydrophobicContact CB-CD2 3.96Å; L46-L556 HydrophobicContact CB-CG 4.3Å; L46-L563 HydrophobicContact CD2-CD1 4.33Å; L46-F617 HydrophobicContact CD1-CB 4.48Å; L46-F617 HydrophobicContact CD1-CD1 4.04Å; L46-F617 HydrophobicContact CD1-CG 4.42Å; L46-F617 HydrophobicContact CD2-CD1 3.96Å; L46-F617 HydrophobicContact CD2-CD2 4.39Å; L46-F617 HydrophobicContact CD2-CE1 4.02Å; L46-F617 HydrophobicContact CD2-CE2 4.42Å; L46-F617 HydrophobicContact CD2-CG 4.15Å; L46-F617 HydrophobicContact CD2-CZ 4.24Å
47	E	70.8	Confident	54.5	Low	102 Å²	102	87.2 Å²	87.2	48%	0.477	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.3	172.9	-173.5	170.7	-120.9	0	0	110.2	I49 L552 R553	E47-I49 HydrophobicContact CG-CG1 4.35Å; E47-L552 CarbonylContact C-O 3.59Å; E47-L552 WeakPolarHBondContact CA-O 3.46Å; E47-R553 HydrophobicContact CB-CG 4.33Å; E47-R553 HydrophobicContact CG-CG 4.27Å; E47-R553 IonicContact OE1-CZ 2.79Å; E47-R553 IonicContact OE1-NE 3.99Å; E47-R553 PolarHBondContact OE1-NE 2.69Å; E47-R553 VanDerWaalsContact OE1-NE 3.15Å; E47-R553 IonicContact OE1-NH2 2.81Å; E47-R553 PolarHBondContact OE1-NH2 3.19Å
48	L	69.5	Low	56.3	Low	22 Å²	22	78.8 Å²	78.8	12%	0.115	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.9	-179.6	-86.6	144.7	0	0	0	108.8	L46 A551 L552 L571 F617	L46-L48 HydrophobicContact CD2-CD1 3.8Å; L46-L48 HydrophobicContact CD2-CG 4.36Å; L46-L48 HydrophobicContact CG-CD1 4.22Å; L46-L48 HydrophobicContact CG-CG 4.4Å; L48-A551 CarbonylContact O-C 3.55Å; L48-A551 VanDerWaalsContact O-CA 3.25Å; L48-A551 WeakPolarHBondContact O-CA 3.3Å; L48-L552 HydrophobicContact CB-CD1 3.86Å; L48-L552 HydrophobicContact CB-CD2 4.4Å; L48-L552 HydrophobicContact CB-CG 3.8Å; L48-L552 HydrophobicContact CD1-CD1 3.66Å; L48-L552 HydrophobicContact CD1-CG 4.44Å; L48-L552 HydrophobicContact CG-CD1 4.4Å; L48-L552 PolarHBondContact N-O 3.02Å; L48-L552 PolarHBondContact O-N 3.02Å; L48-L571 HydrophobicContact CD2-CD1 4.45Å; L48-F617 HydrophobicContact CD2-CE1 3.97Å; L48-F617 HydrophobicContact CD2-CZ 4.47Å
49	I	71	Confident	58	Low	105 Å²	105	74.2 Å²	74.2	54%	0.538	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.8	177.8	-55.6	174.8	0	0	0	109.1	E47 T549 I550 A551	E47-I49 HydrophobicContact CG-CG1 4.35Å; I49-T549 HydrophobicContact CG2-CG2 4.18Å; I49-I550 CarbonylContact C-O 3.59Å; I49-I550 WeakPolarHBondContact CA-O 3.09Å; I49-A551 HydrophobicContact CG1-CB 4.29Å
50	L	69.6	Low	59.7	Low	42 Å²	42	69.6 Å²	69.6	22%	0.22	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.1	-175.2	-65.9	158.1	0	0	0	109.5	L58 I60 T549 I550	L50-L58 HydrophobicContact CB-CD2 3.61Å; L50-L58 HydrophobicContact CD1-CD2 3.66Å; L50-L58 HydrophobicContact CG-CD2 4.17Å; L50-I60 HydrophobicContact CD1-CD1 3.07Å; L50-I60 HydrophobicContact CD1-CG1 3.52Å; L50-T549 CarbonylContact O-C 3.49Å; L50-T549 WeakPolarHBondContact O-CA 3.3Å; L50-I550 HydrophobicContact CB-CB 4.45Å; L50-I550 PolarHBondContact N-O 3.35Å; L50-I550 PolarHBondContact O-N 3.13Å
51	Q	68.1	Low	61.4	Low	123 Å²	123	65.6 Å²	65.6	58%	0.575	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.6	178.6	-73.3	-173.6	-15.9	0	0	110.1	T548 T549	Q51-T548 CarbonylContact C-O 3.5Å; Q51-T548 WeakPolarHBondContact CA-O 3.4Å; Q51-T549 HydrophobicContact CG-CG2 4.21Å
52	C	64.9	Low	63.2	Low	16 Å²	16	57.7 Å²	57.7	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.7	175.1	-73.4	0	0	0	0	109.8	R547 T548	C52-R547 WeakPolarHBondContact O-CA 3.31Å; C52-T548 PolarHBondContact N-O 3.23Å; C52-T548 PolarHBondContact O-N 3.33Å
53	P	57.7	Low	64.2	Low	92 Å²	92	55 Å²	55	60%	0.597	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	142.3	164.6	28.4	-29.9	0	0	0	109
54	K	63	Low	64.4	Low	114 Å²	114	47.8 Å²	47.8	50%	0.496	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	71.7	174.9	-173.9	-46.1	-177.9	178.3	-173.5	0	113.5	S56 G546 T548 E577	K54-S56 PolarHBondContact O-N 3.14Å; K54-G546 CarbonylContact C-O 3.45Å; K54-G546 WeakPolarHBondContact CA-O 3.45Å; K54-G546 PolarHBondContact N-O 3.4Å; K54-T548 PolarHBondContact O-N 2.87Å; K54-T548 PolarHBondContact O-OG1 3.09Å; K54-E577 HydrophobicContact CB-CG 4.41Å; K54-E577 HydrophobicContact CD-CG 4.39Å; K54-E577 WeakPolarHBondContact CD-OE1 3.48Å; K54-E577 WeakPolarHBondContact CD-OE2 3.41Å; K54-E577 IonicContact NZ-OE1 3.28Å; K54-E577 IonicContact NZ-OE2 3.58Å; K54-E577 PolarHBondContact NZ-OE2 3.35Å
55	R	63.9	Low	64	Low	110 Å²	110	47.6 Å²	47.6	42%	0.415	24%	0.238	S	C	.	.	S	Bend	trans	-75.9	109.3	175.3	-80.5	-179.8	177.8	173	1.4	109	D543 E577 Y578 I580	R55-D543 WeakPolarHBondContact CG-OD2 3.31Å; R55-D543 IonicContact NE-OD1 3.15Å; R55-E577 CarbonylContact O-C 3.52Å; R55-E577 VanDerWaalsContact O-CA 3.32Å; R55-E577 WeakPolarHBondContact O-CA 3.49Å; R55-Y578 VanDerWaalsContact C-CE1 3.45Å; R55-Y578 HydrophobicContact CB-CD1 4.16Å; R55-Y578 HydrophobicContact CB-CD2 4.47Å; R55-Y578 HydrophobicContact CB-CE1 3.73Å; R55-Y578 HydrophobicContact CB-CE2 4.06Å; R55-Y578 HydrophobicContact CB-CG 4.5Å; R55-Y578 HydrophobicContact CG-CE2 4.42Å; R55-Y578 WeakPolarHBondContact O-CD1 3.19Å; R55-Y578 PolarHBondContact O-N 3.46Å; R55-I580 VanDerWaalsContact NH1-CD1 3.31Å
56	S	63.4	Low	63.3	Low	7 Å²	7	51.5 Å²	51.5	5%	0.049	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153	-173.9	-66.5	0	0	0	0	113.9	K54 T548 E576 Y578	K54-S56 PolarHBondContact O-N 3.14Å; S56-T548 PolarHBondContact N-OG1 3.16Å; S56-T548 WeakPolarHBondContact O-CG2 3.44Å; S56-T548 PolarHBondContact O-OG1 3.32Å; S56-E576 CarbonylContact C-O 3.5Å; S56-E576 WeakPolarHBondContact CA-O 3.4Å; S56-E576 WeakPolarHBondContact CB-O 3.37Å; S56-E576 PolarHBondContact OG-O 3.43Å; S56-Y578 VanDerWaalsContact N-CE1 3.35Å
57	W	66.8	Low	62.1	Low	40 Å²	40	53.4 Å²	53.4	15%	0.152	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	155.4	159.9	67.8	-106.4	0	0	0	110.1	A59 A518 A574 K575 E576 F602 Y608	W57-A59 HydrophobicContact CZ3-CB 4.1Å; W57-A518 HydrophobicContact CB-CB 4.43Å; W57-A574 HydrophobicContact CH2-CB 4.13Å; W57-A574 HydrophobicContact CZ3-CB 3.93Å; W57-K575 WeakPolarHBondContact O-CA 3.31Å; W57-E576 HydrophobicContact CD2-CB 3.99Å; W57-E576 VanDerWaalsContact CE2-OE2 3.22Å; W57-E576 HydrophobicContact CG-CB 4.16Å; W57-E576 HydrophobicContact CZ2-CB 3.67Å; W57-E576 HydrophobicContact CZ2-CG 4.47Å; W57-E576 WeakPolarHBondContact CZ2-OE2 3.36Å; W57-E576 PolarHBondContact N-O 3Å; W57-E576 PolarHBondContact NE1-OE2 3.21Å; W57-E576 PolarHBondContact O-N 2.47Å; W57-F602 AromaticContact CD1-CD1 3.72Å; W57-F602 AromaticContact CD1-CE1 3.95Å; W57-F602 AromaticContact NE1-CD1 3.99Å; W57-Y608 HydrophobicContact CH2-CD1 4.17Å; W57-Y608 HydrophobicContact CH2-CD2 4.16Å; W57-Y608 AromaticContact CH2-CG 3.65Å; W57-Y608 HydrophobicContact CH2-CG 3.65Å; W57-Y608 HydrophobicContact CZ2-CD1 4.26Å; W57-Y608 AromaticContact CZ2-CG 3.96Å; W57-Y608 HydrophobicContact CZ2-CG 3.96Å
58	L	65	Low	60.3	Low	8 Å²	8	55 Å²	55	4%	0.042	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.6	-178.6	-171.5	69.4	0	0	0	111.1	L50 I60 I517 I550 A574 K575	L50-L58 HydrophobicContact CB-CD2 3.61Å; L50-L58 HydrophobicContact CD1-CD2 3.66Å; L50-L58 HydrophobicContact CG-CD2 4.17Å; L58-I60 HydrophobicContact CD2-CD1 3.94Å; L58-I60 HydrophobicContact CD2-CG1 4.27Å; L58-I60 HydrophobicContact CG-CD1 4.11Å; L58-I60 HydrophobicContact CG-CG1 4.14Å; L58-I517 PolarHBondContact N-O 2.9Å; L58-I517 PolarHBondContact O-N 2.93Å; L58-I517 VanDerWaalsContact O-N 3.11Å; L58-I550 HydrophobicContact CB-CD1 3.38Å; L58-I550 HydrophobicContact CD2-CB 4.39Å; L58-I550 HydrophobicContact CD2-CD1 3.8Å; L58-I550 HydrophobicContact CG-CD1 4.23Å; L58-A574 CarbonylContact C-O 3.51Å; L58-A574 VanDerWaalsContact CA-O 3.29Å; L58-A574 WeakPolarHBondContact CA-O 3.31Å; L58-A574 WeakPolarHBondContact CD1-O 3.44Å; L58-K575 HydrophobicContact CD1-CB 3.88Å
59	A	62.4	Low	58.5	Low	18 Å²	18	62.5 Å²	62.5	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.2	168.5	0	0	0	0	0	109.8	W57 T516 W573 A574	W57-A59 HydrophobicContact CZ3-CB 4.1Å; A59-T516 HydrophobicContact CB-CG2 4.1Å; A59-W573 CarbonylContact O-C 3.52Å; A59-W573 VanDerWaalsContact O-CA 3.27Å; A59-W573 WeakPolarHBondContact O-CA 3.49Å; A59-A574 HydrophobicContact CB-CB 4.2Å; A59-A574 PolarHBondContact N-O 3.14Å; A59-A574 PolarHBondContact O-N 2.91Å
60	I	63.7	Low	56.7	Low	3 Å²	3	60.1 Å²	60.1	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137	-177.2	-54.9	127	0	0	0	109.2	L50 L58 W62 I515 L552 L571 L572	L50-I60 HydrophobicContact CD1-CD1 3.07Å; L50-I60 HydrophobicContact CD1-CG1 3.52Å; L58-I60 HydrophobicContact CD2-CD1 3.94Å; L58-I60 HydrophobicContact CD2-CG1 4.27Å; L58-I60 HydrophobicContact CG-CD1 4.11Å; L58-I60 HydrophobicContact CG-CG1 4.14Å; I60-W62 HydrophobicContact CG2-CE3 4.44Å; I60-I515 PolarHBondContact N-O 3.38Å; I60-I515 PolarHBondContact O-N 3.37Å; I60-L552 HydrophobicContact CD1-CD2 4.05Å; I60-L571 HydrophobicContact CG2-CD1 4.28Å; I60-L571 HydrophobicContact CG2-CD2 3.96Å; I60-L571 HydrophobicContact CG2-CG 4.14Å; I60-L572 CarbonylContact C-O 3.58Å; I60-L572 VanDerWaalsContact CA-O 3.31Å; I60-L572 WeakPolarHBondContact CA-O 3.48Å
61	G	62.5	Low	54.9	Low	5 Å²	5	65.7 Å²	65.7	5%	0.052	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	167.9	169.6	0	0	0	0	0	111.5	D513 L572	G61-D513 WeakPolarHBondContact CA-O 3.43Å; G61-L572 PolarHBondContact N-O 3.12Å; G61-L572 PolarHBondContact O-N 3.39Å
62	W	66.3	Low	53.1	Low	12 Å²	12	66.1 Å²	66.1	5%	0.045	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.2	178.5	53.9	79.9	0	0	0	114.4	I60 D513 I515 H554 T569 T570	I60-W62 HydrophobicContact CG2-CE3 4.44Å; W62-D513 HydrophobicContact CD2-CB 4.29Å; W62-D513 HydrophobicContact CH2-CB 3.97Å; W62-D513 HydrophobicContact CZ2-CB 3.15Å; W62-D513 WeakPolarHBondContact CZ2-OD2 2.96Å; W62-D513 PolarHBondContact NE1-OD2 2.93Å; W62-D513 VanDerWaalsContact NE1-OD2 3.17Å; W62-I515 HydrophobicContact CH2-CD1 3.55Å; W62-I515 HydrophobicContact CH2-CG1 4Å; W62-I515 HydrophobicContact CZ3-CD1 3.87Å; W62-I515 HydrophobicContact CZ3-CG1 4.2Å; W62-H554 AromaticContact CH2-CD2 3.7Å; W62-H554 AromaticContact CZ2-CD2 3.18Å; W62-H554 WeakPolarHBondContact CZ2-CD2 3.38Å; W62-H554 AromaticContact CZ2-NE2 3.41Å; W62-H554 WeakPolarHBondContact CZ2-NE2 3.38Å; W62-T569 HydrophobicContact CB-CG2 3.71Å; W62-T570 CarbonylContact C-O 3.53Å; W62-T570 VanDerWaalsContact CA-O 3.25Å; W62-T570 WeakPolarHBondContact CA-O 3.49Å
63	I	60.4	Low	51.4	Low	30 Å²	30	67.9 Å²	67.9	15%	0.154	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.3	-179.1	-59.8	165.3	0	0	0	110.1	I70 I73 T569 T570 L572	I63-I70 HydrophobicContact CG2-CD1 4.07Å; I63-I73 HydrophobicContact CD1-CD1 3.24Å; I63-I73 HydrophobicContact CD1-CG1 4.27Å; I63-I73 HydrophobicContact CD1-CG2 4.33Å; I63-T569 WeakPolarHBondContact O-CG2 3.47Å; I63-T570 PolarHBondContact N-O 2.92Å; I63-T570 PolarHBondContact O-N 3.39Å; I63-L572 HydrophobicContact CD1-CD1 3.86Å
64	S	53.9	Low	50.1	Low	11 Å²	11	68.6 Å²	68.6	8%	0.077	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	144.1	178.5	168.8	0	0	0	0	112.5	D66 H562	S64-D66 PolarHBondContact O-N 2.9Å; S64-D66 VanDerWaalsContact O-N 3.17Å; S64-H562 WeakPolarHBondContact CB-O 3.42Å
65	D	51.6	Low	48.6	Very low	71 Å²	71	65.8 Å²	65.8	38%	0.38	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.8	-177.5	-103.7	10.8	0	0	0	115.3	V67 R568	D65-V67 PolarHBondContact O-N 3.33Å; D65-R568 WeakPolarHBondContact CB-O 3.07Å; D65-R568 VanDerWaalsContact CG-O 3.26Å; D65-R568 PolarHBondContact N-O 3.07Å; D65-R568 WeakPolarHBondContact OD2-CB 3.15Å; D65-R568 WeakPolarHBondContact OD2-CD 3.44Å; D65-R568 WeakPolarHBondContact OD2-CG 3.07Å
66	D	46.5	Very low	47	Very low	124 Å²	124	65.7 Å²	65.7	66%	0.663	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	3	179.4	-84.5	-18.7	0	0	0	114.3	S64	S64-D66 PolarHBondContact O-N 2.9Å; S64-D66 VanDerWaalsContact O-N 3.17Å
67	V	43.1	Very low	45.4	Very low	66 Å²	66	67.5 Å²	67.5	40%	0.4	39%	0.385	S	S	.	.			trans	-100	88.9	178.9	-171.4	0	0	0	0	110	D65 Q69 I70 F509	D65-V67 PolarHBondContact O-N 3.33Å; V67-Q69 VanDerWaalsContact C-N 3.31Å; V67-Q69 PolarHBondContact O-N 2.9Å; V67-I70 HydrophobicContact CB-CD1 3.66Å; V67-I70 HydrophobicContact CB-CG1 4.19Å; V67-I70 HydrophobicContact CG1-CD1 3.64Å; V67-I70 HydrophobicContact CG1-CG1 3.74Å; V67-F509 HydrophobicContact CG1-CE1 4.45Å
68	V	32.6	Very low	43.7	Very low	137 Å²	137	71.5 Å²	71.5	83%	0.83	41%	0.41	S	S	*	.	S	Bend	trans	-71.5	81	173.2	-177.5	0	0	0	0	109.5
69	Q	32.5	Very low	42.1	Very low	178 Å²	178	74.7 Å²	74.7	83%	0.832	43%	0.431	S	S	*	.			trans	153.6	91.1	161.7	-94.6	-176.9	-27.9	0	0	108.5	V67	V67-Q69 VanDerWaalsContact C-N 3.31Å; V67-Q69 PolarHBondContact O-N 2.9Å
70	I	33.8	Very low	40.7	Very low	55 Å²	55	75.9 Å²	75.9	28%	0.282	44%	0.441	S	S	.	.			trans	-149.7	82.3	176.6	-53.9	-179	0	0	0	111.1	I63 V67 I73	I63-I70 HydrophobicContact CG2-CD1 4.07Å; V67-I70 HydrophobicContact CB-CD1 3.66Å; V67-I70 HydrophobicContact CB-CG1 4.19Å; V67-I70 HydrophobicContact CG1-CD1 3.64Å; V67-I70 HydrophobicContact CG1-CG1 3.74Å; I70-I73 HydrophobicContact CB-CD1 4.46Å; I70-I73 HydrophobicContact CD1-CD1 4.22Å; I70-I73 HydrophobicContact CG2-CD1 3.1Å; I70-I73 HydrophobicContact CG2-CG1 3.28Å
71	D	30.4	Very low	39.1	Very low	160 Å²	160	78.6 Å²	78.6	86%	0.856	47%	0.469	S	S	*	.	S	Bend	trans	-95.3	-4.2	170.1	-77.4	-41.1	0	0	0	113.7
72	T	30.5	Very low	37.6	Very low	132 Å²	132	82.4 Å²	82.4	81%	0.81	49%	0.485	S	S	*	.			trans	-145	108.4	179.3	36.6	0	0	0	0	110.2
73	I	30.6	Very low	36	Very low	53 Å²	53	84.6 Å²	84.6	27%	0.272	50%	0.499	S	S	.	.			trans	-131.7	98.1	159	-57.5	156.7	0	0	0	107.1	I63 I70 L572	I63-I73 HydrophobicContact CD1-CD1 3.24Å; I63-I73 HydrophobicContact CD1-CG1 4.27Å; I63-I73 HydrophobicContact CD1-CG2 4.33Å; I70-I73 HydrophobicContact CB-CD1 4.46Å; I70-I73 HydrophobicContact CD1-CD1 4.22Å; I70-I73 HydrophobicContact CG2-CD1 3.1Å; I70-I73 HydrophobicContact CG2-CG1 3.28Å; I73-L572 HydrophobicContact CG2-CD1 3.82Å; I73-L572 HydrophobicContact CG2-CD2 4.23Å
74	E	30	Very low	34.6	Very low	106 Å²	106	88.6 Å²	88.6	50%	0.495	52%	0.521	S	S	.	.			trans	-68.1	137.6	146.4	-71.6	178.7	160	0	0	106.9	T76 L233	E74-T76 HydrophobicContact CB-CG2 4.01Å; E74-T76 PolarHBondContact O-N 2.93Å; E74-L233 HydrophobicContact CG-CD1 4.3Å; E74-L233 WeakPolarHBondContact OE1-CD2 3.04Å
75	A	32	Very low	33.4	Very low	56 Å²	56	91.6 Å²	91.6	46%	0.463	55%	0.546	S	S	.	.			trans	-65.5	79.5	167.7	0	0	0	0	0	108.4	G77	A75-G77 PolarHBondContact O-N 2.83Å
76	T	28.8	Very low	32.3	Very low	107 Å²	107	92.2 Å²	92.2	66%	0.656	55%	0.549	S	S	*	.			trans	-76.8	54.8	175	60.9	0	0	0	0	109.5	E74 D78	E74-T76 HydrophobicContact CB-CG2 4.01Å; E74-T76 PolarHBondContact O-N 2.93Å; T76-D78 PolarHBondContact O-N 2.98Å
77	G	29.7	Very low	31.5	Very low	45 Å²	45	91.3 Å²	91.3	46%	0.464	55%	0.548	S	S	.	.			trans	-89.4	88.1	159.8	0	0	0	0	0	106.6	A75 P79	A75-G77 PolarHBondContact O-N 2.83Å; G77-P79 WeakPolarHBondContact O-CD 3.27Å
78	D	32	Very low	30.7	Very low	125 Å²	125	93.2 Å²	93.2	67%	0.668	56%	0.56	S	S	*	*			trans	-46.9	106.6	177.3	-176	13.4	0	0	0	110.9	T76 A80	T76-D78 PolarHBondContact O-N 2.98Å; D78-A80 PolarHBondContact O-N 3.31Å; D78-A80 WeakPolarHBondContact OD1-CA 3.39Å; D78-A80 WeakPolarHBondContact OD1-CB 3.44Å; D78-A80 PolarHBondContact OD1-N 2.8Å
79	P	31.5	Very low	30.6	Very low	74 Å²	74	92.1 Å²	92.1	48%	0.481	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.3	2.9	172.5	14.3	1.3	0	0	0	110.8	G77 G81 F82 V83	G77-P79 WeakPolarHBondContact O-CD 3.27Å; P79-G81 PolarHBondContact O-N 3.31Å; P79-F82 HydrophobicContact CB-CB 4.36Å; P79-F82 CarbonylContact O-C 3.41Å; P79-F82 WeakPolarHBondContact O-CA 3.21Å; P79-F82 WeakPolarHBondContact O-CB 3.49Å; P79-F82 PolarHBondContact O-N 2.59Å; P79-V83 HydrophobicContact CB-CG2 4.35Å; P79-V83 PolarHBondContact O-N 3.06Å
80	A	32.6	Very low	30.3	Very low	44 Å²	44	87.9 Å²	87.9	36%	0.364	55%	0.554	S	S	.	*	H	α-helix	trans	-60.2	-30.1	177.9	0	0	0	0	0	111.8	D78 F82 D84	D78-A80 PolarHBondContact O-N 3.31Å; D78-A80 WeakPolarHBondContact OD1-CA 3.39Å; D78-A80 WeakPolarHBondContact OD1-CB 3.44Å; D78-A80 PolarHBondContact OD1-N 2.8Å; A80-F82 VanDerWaalsContact C-N 3.32Å; A80-F82 PolarHBondContact O-N 2.79Å; A80-D84 WeakPolarHBondContact O-CB 3.39Å
81	G	29.7	Very low	30.1	Very low	59 Å²	59	91.7 Å²	91.7	61%	0.608	58%	0.582	S	S	*	*	H	α-helix	trans	-72.3	-20.8	169.8	0	0	0	0	0	114.8	P79	P79-G81 PolarHBondContact O-N 3.31Å
82	F	31.1	Very low	30.2	Very low	86 Å²	86	92.8 Å²	92.8	38%	0.377	58%	0.582	S	S	.	*	H	α-helix	trans	-95.2	-39.5	-172.3	-176.1	-100.9	0	0	0	112.5	P79 A80 A85 L86	P79-F82 HydrophobicContact CB-CB 4.36Å; P79-F82 CarbonylContact O-C 3.41Å; P79-F82 WeakPolarHBondContact O-CA 3.21Å; P79-F82 WeakPolarHBondContact O-CB 3.49Å; P79-F82 PolarHBondContact O-N 2.59Å; A80-F82 VanDerWaalsContact C-N 3.32Å; A80-F82 PolarHBondContact O-N 2.79Å; F82-A85 PolarHBondContact O-N 2.98Å; F82-L86 HydrophobicContact CD1-CD1 4.19Å; F82-L86 HydrophobicContact CD2-CD1 4.44Å; F82-L86 HydrophobicContact CE1-CD1 3.86Å; F82-L86 HydrophobicContact CE2-CD1 4.13Å; F82-L86 HydrophobicContact CG-CD1 4.47Å; F82-L86 HydrophobicContact CZ-CD1 3.83Å; F82-L86 WeakPolarHBondContact O-CD1 3.28Å; F82-L86 PolarHBondContact O-N 3.15Å
83	V	31.7	Very low	30.6	Very low	57 Å²	57	91.7 Å²	91.7	35%	0.345	58%	0.577	S	S	.	*	H	α-helix	trans	-74.4	-37.1	177.3	-176.8	0	0	0	0	110.8	P79 A85 L86 V87 M605	P79-V83 HydrophobicContact CB-CG2 4.35Å; P79-V83 PolarHBondContact O-N 3.06Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 2.91Å; V83-L86 PolarHBondContact O-N 2.88Å; V83-V87 HydrophobicContact CG1-CG2 4.16Å; V83-V87 WeakPolarHBondContact O-CB 3.33Å; V83-V87 VanDerWaalsContact O-CG2 3.28Å; V83-V87 WeakPolarHBondContact O-CG2 3.34Å; V83-V87 PolarHBondContact O-N 3.38Å; V83-V87 VanDerWaalsContact O-N 3.11Å; V83-M605 HydrophobicContact CB-CE 4.44Å; V83-M605 HydrophobicContact CG1-CE 4.36Å; V83-M605 HydrophobicContact CG2-CE 4.35Å
84	D	31.2	Very low	30.5	Very low	114 Å²	114	96 Å²	96	61%	0.61	61%	0.605	S	S	*	*	H	α-helix	trans	-67.1	-27	171.7	-93.6	-9.5	0	0	0	112.5	A80 T88	A80-D84 WeakPolarHBondContact O-CB 3.39Å; D84-T88 VanDerWaalsContact O-CB 3.24Å; D84-T88 WeakPolarHBondContact O-CB 3.42Å; D84-T88 WeakPolarHBondContact O-CG2 3.42Å; D84-T88 PolarHBondContact O-OG1 3.29Å
85	A	29.5	Very low	30.5	Very low	74 Å²	74	97 Å²	97	61%	0.612	62%	0.619	S	S	*	*	H	α-helix	trans	-81.1	-24	176.6	0	0	0	0	0	113.9	F82 V83	F82-A85 PolarHBondContact O-N 2.98Å; V83-A85 VanDerWaalsContact C-N 3.29Å; V83-A85 PolarHBondContact O-N 2.91Å
86	L	28.7	Very low	30.2	Very low	84 Å²	84	101.8 Å²	101.8	44%	0.44	64%	0.636	S	S	.	*	H	α-helix	trans	-90.9	-23.1	178.2	-98.3	117.7	0	0	0	113.8	F82 V83	F82-L86 HydrophobicContact CD1-CD1 4.19Å; F82-L86 HydrophobicContact CD2-CD1 4.44Å; F82-L86 HydrophobicContact CE1-CD1 3.86Å; F82-L86 HydrophobicContact CE2-CD1 4.13Å; F82-L86 HydrophobicContact CG-CD1 4.47Å; F82-L86 HydrophobicContact CZ-CD1 3.83Å; F82-L86 WeakPolarHBondContact O-CD1 3.28Å; F82-L86 PolarHBondContact O-N 3.15Å; V83-L86 PolarHBondContact O-N 2.88Å
87	V	28.6	Very low	30.2	Very low	106 Å²	106	102.6 Å²	102.6	64%	0.642	64%	0.641	S	S	*	*	H	α-helix	trans	-106.5	-9.8	-171.3	-178.9	0	0	0	0	113.3	V83 S89	V83-V87 HydrophobicContact CG1-CG2 4.16Å; V83-V87 WeakPolarHBondContact O-CB 3.33Å; V83-V87 VanDerWaalsContact O-CG2 3.28Å; V83-V87 WeakPolarHBondContact O-CG2 3.34Å; V83-V87 PolarHBondContact O-N 3.38Å; V83-V87 VanDerWaalsContact O-N 3.11Å; V87-S89 PolarHBondContact O-N 3.48Å
88	T	28.1	Very low	30.2	Very low	106 Å²	106	108 Å²	108	65%	0.65	66%	0.659	S	S	*	*			trans	-74.8	25.6	-173.9	39	0	0	0	0	117	D84	D84-T88 VanDerWaalsContact O-CB 3.24Å; D84-T88 WeakPolarHBondContact O-CB 3.42Å; D84-T88 WeakPolarHBondContact O-CG2 3.42Å; D84-T88 PolarHBondContact O-OG1 3.29Å
89	S	29.1	Very low	30.1	Very low	113 Å²	113	109 Å²	109	79%	0.79	67%	0.669	S	S	*	*	S	Bend	trans	-139.3	49	176.5	64.1	0	0	0	0	115.8	V87	V87-S89 PolarHBondContact O-N 3.48Å
90	A	27.1	Very low	29.7	Very low	90 Å²	90	109.2 Å²	109.2	74%	0.744	68%	0.678	S	S	*	*			trans	-156.8	131.6	159.3	0	0	0	0	0	113.3
91	P	29.8	Very low	29.4	Very low	134 Å²	134	115 Å²	115	87%	0.87	70%	0.701	S	S	*	*			trans	-86.7	144.1	-179.5	29.6	-23.3	0	0	0	113.4
92	Q	32.4	Very low	29.2	Very low	184 Å²	184	117.4 Å²	117.4	86%	0.86	71%	0.708	S	S	*	*			trans	-78.7	-178.8	174	-66.8	-170.3	-18.2	0	0	113
93	P	37.3	Very low	29.1	Very low	108 Å²	108	119.5 Å²	119.5	70%	0.701	73%	0.728	S	S	*	*				-135.5	169.9	-61.9	39.2	-23.1	0	0	0	112.1
94	V	28.6	Very low	29	Very low	143 Å²	143	125.7 Å²	125.7	87%	0.867	75%	0.753	S	S	*	*			trans	-144.8	129	156.1	-169	0	0	0	0	111.4
95	T	30.1	Very low	29.2	Very low	127 Å²	127	124.9 Å²	124.9	78%	0.779	75%	0.748	S	S	*	*			trans	-70.7	151.5	178.2	37.3	0	0	0	0	115.4
96	L	27.1	Very low	29.7	Very low	158 Å²	158	125.8 Å²	125.8	83%	0.827	75%	0.748	S	S	*	*			trans	-154.9	105	148.4	-106.2	143.6	0	0	0	112.7
97	T	28.8	Very low	30.3	Very low	123 Å²	123	127.6 Å²	127.6	76%	0.755	76%	0.762	S	S	*	*			trans	38.8	112.7	143.2	56.7	0	0	0	0	121.2
98	N	30	Very low	31.4	Very low	160 Å²	160	126.3 Å²	126.3	86%	0.856	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-86.6	142.2	164.7	-76	-15.4	0	0	0	112.5
99	V	28.2	Very low	32.4	Very low	145 Å²	145	122.1 Å²	122.1	88%	0.879	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-80.8	134.9	167.1	172.7	0	0	0	0	108.8
100	A	24.5	Very low	33.6	Very low	79 Å²	79	124.9 Å²	124.9	65%	0.653	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-75.2	139.9	-172.9	0	0	0	0	0	113.9
101	I	26.6	Very low	35.3	Very low	165 Å²	165	126.2 Å²	126.2	85%	0.846	73%	0.726	S	S	*	*			trans	-131.1	106.5	146.8	-59.9	178.2	0	0	0	105.6
102	S	24.8	Very low	37	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	70%	0.704	S	S	*	*			trans	-81.4	122.6	179.5	-63.7	0	0	0	0	110.3
103	V	27.8	Very low	38.7	Very low	131 Å²	131	114.1 Å²	114.1	79%	0.794	66%	0.663	S	S	*	*			trans	-125.5	113.5	158.7	-177.3	0	0	0	0	105.5	L105	V103-L105 PolarHBondContact O-N 2.94Å
104	E	29.9	Very low	40.5	Very low	187 Å²	187	111.3 Å²	111.3	87%	0.874	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-73.2	121.2	-179.5	-76.6	175	152.7	0	0	110
105	L	35.6	Very low	42.8	Very low	96 Å²	96	106.3 Å²	106.3	50%	0.503	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-72.3	142.7	167	-70.7	165	0	0	0	109.7	V103 V107 Y197	V103-L105 PolarHBondContact O-N 2.94Å; L105-V107 PolarHBondContact O-N 3.09Å; L105-V107 VanDerWaalsContact O-N 3.16Å; L105-Y197 WeakPolarHBondContact CD1-O 3.5Å
106	P	39.9	Very low	44.8	Very low	94 Å²	94	104.5 Å²	104.5	61%	0.61	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-70.9	117.9	178	32.8	-34	0	0	0	109	T269	P106-T269 HydrophobicContact CB-CG2 3.51Å; P106-T269 HydrophobicContact CG-CG2 3.94Å; P106-T269 WeakPolarHBondContact O-CG2 3.44Å
107	V	42.2	Very low	46.6	Very low	122 Å²	122	99.3 Å²	99.3	74%	0.739	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-64.6	135.1	-176.7	174.8	0	0	0	0	111	L105 T269	L105-V107 PolarHBondContact O-N 3.09Å; L105-V107 VanDerWaalsContact O-N 3.16Å; V107-T269 WeakPolarHBondContact O-CG2 3.44Å
108	V	50.6	Low	48.3	Very low	78 Å²	78	98.6 Å²	98.6	47%	0.473	57%	0.569	S	S	.	*			trans	-4.4	119.1	162.2	-175.5	0	0	0	0	114.6	D110	V108-D110 PolarHBondContact O-N 2.02Å
109	S	50.1	Low	50.2	Low	19 Å²	19	94.3 Å²	94.3	13%	0.133	55%	0.548	C	S	.	.			trans	-56.6	130.6	167.9	144.8	0	0	0	0	110.6	E111 R271	S109-E111 PolarHBondContact O-N 3.17Å; S109-E111 VanDerWaalsContact O-N 3.09Å; S109-E111 PolarHBondContact OG-N 2.83Å; S109-E111 PolarHBondContact OG-O 3.38Å; S109-R271 PolarHBondContact OG-NH1 3.17Å
110	D	54.7	Low	52.3	Low	170 Å²	170	87.7 Å²	87.7	91%	0.909	51%	0.509	S	S	*	.	S	Bend	trans	-59.7	-18.2	177.8	-77.5	-33.9	0	0	0	113.9	V108	V108-D110 PolarHBondContact O-N 2.02Å
111	E	63.1	Low	54.7	Low	118 Å²	118	85 Å²	85	55%	0.551	48%	0.482	S	S	*	.	S	Bend	trans	-106.3	112.9	177.3	-73.5	-178.8	164.3	0	0	111.6	S109 W126 R271	S109-E111 PolarHBondContact O-N 3.17Å; S109-E111 VanDerWaalsContact O-N 3.09Å; S109-E111 PolarHBondContact OG-N 2.83Å; S109-E111 PolarHBondContact OG-O 3.38Å; E111-W126 HydrophobicContact CB-CH2 4.42Å; E111-R271 IonicContact OE2-NH1 2.85Å
112	P	65.5	Low	57.1	Low	64 Å²	64	77.2 Å²	77.2	42%	0.416	44%	0.443	S	S	.	.			trans	-78.6	151.4	177.5	33.9	-36.8	0	0	0	112	Q274	P112-Q274 HydrophobicContact CB-CB 4.43Å; P112-Q274 HydrophobicContact CB-CG 3.42Å; P112-Q274 VanDerWaalsContact CB-CG 3.42Å; P112-Q274 HydrophobicContact CG-CG 3.43Å; P112-Q274 VanDerWaalsContact CG-CG 3.43Å
113	A	68.2	Low	59.9	Low	0 Å²	0	72.6 Å²	72.6	0%	0	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-72	127.7	-178.1	0	0	0	0	0	112.4	V115 M124 F250 R271 I272 Q274	A113-V115 PolarHBondContact O-N 2.97Å; A113-M124 HydrophobicContact CB-CE 3.18Å; A113-M124 HydrophobicContact CB-CG 4.44Å; A113-M124 HydrophobicContact CB-SD 3.61Å; A113-F250 HydrophobicContact CB-CD2 3.67Å; A113-F250 HydrophobicContact CB-CE2 3.7Å; A113-R271 HydrophobicContact CB-CB 4.19Å; A113-I272 WeakPolarHBondContact CB-O 3.24Å; A113-I272 PolarHBondContact N-O 3.25Å; A113-Q274 PolarHBondContact O-N 3.11Å
114	S	74.3	Confident	62.7	Low	49 Å²	49	66.4 Å²	66.4	34%	0.343	37%	0.372	S	S	.	.			trans	-80.9	102.3	172.1	61.1	0	0	0	0	110.4	S128	S114-S128 WeakPolarHBondContact OG-CB 3.42Å
115	V	76	Confident	65.2	Low	39 Å²	39	57.8 Å²	57.8	24%	0.236	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.5	179.6	172.4	0	0	0	0	110.1	A113 A117 M124 W139 F250 V277	A113-V115 PolarHBondContact O-N 2.97Å; V115-A117 HydrophobicContact CG1-CB 4.03Å; V115-M124 HydrophobicContact CG2-CB 4.32Å; V115-M124 HydrophobicContact CG2-SD 4.19Å; V115-W139 HydrophobicContact CG1-CH2 3.56Å; V115-W139 HydrophobicContact CG1-CZ2 3.91Å; V115-F250 HydrophobicContact CG2-CE2 3.7Å; V115-F250 HydrophobicContact CG2-CZ 3.58Å; V115-V277 HydrophobicContact CB-CG2 4.31Å; V115-V277 HydrophobicContact CG1-CG2 3.73Å; V115-V277 HydrophobicContact CG2-CG2 4.47Å
116	L	73.8	Confident	67.6	Low	89 Å²	89	54.4 Å²	54.4	47%	0.466	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	103.6	167.9	-169.5	98.8	0	0	0	107.8	G122 E123	L116-G122 CarbonylContact O-C 3.53Å; L116-G122 WeakPolarHBondContact O-CA 3.31Å; L116-E123 HydrophobicContact CB-CG 3.94Å; L116-E123 HydrophobicContact CD2-CG 4.26Å; L116-E123 PolarHBondContact N-O 3.06Å; L116-E123 PolarHBondContact O-N 3Å
117	A	63.4	Low	69.7	Low	48 Å²	48	53.3 Å²	53.3	40%	0.397	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.8	178.4	0	0	0	0	0	110.6	V115 W139 V277	V115-A117 HydrophobicContact CG1-CB 4.03Å; A117-W139 HydrophobicContact CB-CZ2 4.21Å; A117-V277 HydrophobicContact CB-CG1 3.74Å
118	E	65.9	Low	71.1	Confident	108 Å²	108	49.9 Å²	49.9	51%	0.505	29%	0.286	S	S	.	.			trans	-93.8	-174.8	166.6	-64.6	-163	-161.3	0	0	109.9	C120 F121	E118-C120 VanDerWaalsContact C-N 3.33Å; E118-C120 PolarHBondContact O-N 3.06Å; E118-F121 CarbonylContact C-O 3.59Å; E118-F121 HydrophobicContact CB-CD1 4.07Å; E118-F121 HydrophobicContact CB-CD2 4.06Å; E118-F121 HydrophobicContact CB-CE1 3.67Å; E118-F121 HydrophobicContact CB-CE2 3.63Å; E118-F121 HydrophobicContact CB-CG 4.29Å; E118-F121 HydrophobicContact CB-CZ 3.49Å; E118-F121 VanDerWaalsContact CB-CZ 3.49Å; E118-F121 VanDerWaalsContact CD-CE2 3.49Å; E118-F121 HydrophobicContact CG-CD2 4.39Å; E118-F121 HydrophobicContact CG-CE1 4.22Å; E118-F121 HydrophobicContact CG-CE2 3.57Å; E118-F121 HydrophobicContact CG-CZ 3.53Å; E118-F121 PolarHBondContact N-O 3.02Å; E118-F121 WeakPolarHBondContact OE2-CE1 3.49Å; E118-F121 WeakPolarHBondContact OE2-CZ 3.49Å
119	T	69.5	Low	71.9	Confident	70 Å²	70	50.9 Å²	50.9	43%	0.429	29%	0.289	S	S	.	.	S	Bend	trans	-55.4	-46.9	-169.5	44.1	0	0	0	0	112.7	K280	T119-K280 CarbonylContact C-O 3.51Å; T119-K280 CarbonylContact O-C 3.56Å; T119-K280 WeakPolarHBondContact O-CA 3.42Å; T119-K280 WeakPolarHBondContact O-CB 3.17Å; T119-K280 PolarHBondContact O-N 3.26Å
120	C	71.6	Confident	72.7	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.041	29%	0.286	C	S	.	.	S	Bend	trans	-123.2	-0.2	-174.6	59.9	0	0	0	0	115	E118 S140 Y141 K280 C282	E118-C120 VanDerWaalsContact C-N 3.33Å; E118-C120 PolarHBondContact O-N 3.06Å; C120-S140 CarbonylContact O-C 3.46Å; C120-S140 WeakPolarHBondContact O-CA 3.38Å; C120-Y141 PolarHBondContact O-N 3.32Å; C120-K280 WeakPolarHBondContact CA-O 3.48Å; C120-K280 WeakPolarHBondContact CB-O 3.41Å; C120-C282 HydrophobicContact CB-CB 3.79Å; C120-C282 WeakPolarHBondContact CB-SG 3.31Å; C120-C282 WeakPolarHBondContact SG-CA 3.38Å; C120-C282 WeakPolarHBondContact SG-CB 3.12Å; C120-C282 CovalentContact SG-SG 2.02Å; C120-C282 PolarHBondContact SG-SG 2.99Å
121	F	75.2	Confident	72.6	Confident	22 Å²	22	46 Å²	46	10%	0.096	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.9	177	64.8	-95.7	0	0	0	110.2	E118 W139 T342	E118-F121 CarbonylContact C-O 3.59Å; E118-F121 HydrophobicContact CB-CD1 4.07Å; E118-F121 HydrophobicContact CB-CD2 4.06Å; E118-F121 HydrophobicContact CB-CE1 3.67Å; E118-F121 HydrophobicContact CB-CE2 3.63Å; E118-F121 HydrophobicContact CB-CG 4.29Å; E118-F121 HydrophobicContact CB-CZ 3.49Å; E118-F121 VanDerWaalsContact CB-CZ 3.49Å; E118-F121 VanDerWaalsContact CD-CE2 3.49Å; E118-F121 HydrophobicContact CG-CD2 4.39Å; E118-F121 HydrophobicContact CG-CE1 4.22Å; E118-F121 HydrophobicContact CG-CE2 3.57Å; E118-F121 HydrophobicContact CG-CZ 3.53Å; E118-F121 PolarHBondContact N-O 3.02Å; E118-F121 WeakPolarHBondContact OE2-CE1 3.49Å; E118-F121 WeakPolarHBondContact OE2-CZ 3.49Å; F121-W139 CarbonylContact C-O 3.51Å; F121-W139 WeakPolarHBondContact CA-O 3.22Å; F121-W139 WeakPolarHBondContact CB-O 3.33Å; F121-T342 HydrophobicContact CD2-CG2 3.59Å; F121-T342 HydrophobicContact CE2-CG2 3.44Å; F121-T342 VanDerWaalsContact CE2-CG2 3.44Å; F121-T342 HydrophobicContact CG-CG2 4.35Å; F121-T342 HydrophobicContact CZ-CG2 4.05Å
122	G	77.8	Confident	72.7	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	175.1	170.1	0	0	0	0	0	112.7	L116 S138 W139	L116-G122 CarbonylContact O-C 3.53Å; L116-G122 WeakPolarHBondContact O-CA 3.31Å; G122-S138 CarbonylContact O-C 3.6Å; G122-S138 VanDerWaalsContact O-CA 3.3Å; G122-S138 WeakPolarHBondContact O-CA 3.17Å; G122-W139 VanDerWaalsContact CA-CE2 3.41Å; G122-W139 VanDerWaalsContact CA-CZ2 3.48Å; G122-W139 PolarHBondContact N-O 2.99Å; G122-W139 PolarHBondContact O-N 2.77Å
123	E	82.3	Confident	73.1	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.056	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161.6	-179.9	60.2	157.5	-150.1	0	0	113.4	L116 R125 H136 L137 L358	L116-E123 HydrophobicContact CB-CG 3.94Å; L116-E123 HydrophobicContact CD2-CG 4.26Å; L116-E123 PolarHBondContact N-O 3.06Å; L116-E123 PolarHBondContact O-N 3Å; E123-R125 IonicContact OE1-CZ 3.63Å; E123-R125 IonicContact OE1-NE 2.75Å; E123-R125 PolarHBondContact OE1-NE 3.41Å; E123-R125 IonicContact OE1-NH2 3.68Å; E123-R125 PolarHBondContact OE1-NH2 3.27Å; E123-R125 IonicContact OE2-CZ 3.68Å; E123-R125 IonicContact OE2-NE 3.43Å; E123-R125 PolarHBondContact OE2-NE 3.28Å; E123-R125 IonicContact OE2-NH2 3.95Å; E123-R125 PolarHBondContact OE2-NH2 3.15Å; E123-H136 IonicContact OE2-NE2 2.71Å; E123-H136 PolarHBondContact OE2-NE2 3.35Å; E123-L137 CarbonylContact C-O 3.47Å; E123-L137 WeakPolarHBondContact CA-O 3.19Å; E123-L137 WeakPolarHBondContact CB-O 3.46Å; E123-L358 WeakPolarHBondContact OE1-CD2 3.27Å; E123-L358 WeakPolarHBondContact OE2-CD2 3.2Å
124	M	87.5	Confident	74	Confident	1 Å²	1	46 Å²	46	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.5	172.6	174.6	53.4	-169.6	0	0	110.3	A113 V115 W126 H136 L137 F250	A113-M124 HydrophobicContact CB-CE 3.18Å; A113-M124 HydrophobicContact CB-CG 4.44Å; A113-M124 HydrophobicContact CB-SD 3.61Å; V115-M124 HydrophobicContact CG2-CB 4.32Å; V115-M124 HydrophobicContact CG2-SD 4.19Å; M124-W126 HydrophobicContact CE-CE3 3.97Å; M124-H136 WeakPolarHBondContact O-CA 3.13Å; M124-L137 PolarHBondContact N-O 3.29Å; M124-L137 PolarHBondContact O-N 2.83Å; M124-F250 HydrophobicContact CB-CD1 3.88Å; M124-F250 HydrophobicContact CB-CE1 3.37Å; M124-F250 HydrophobicContact CB-CE2 4.13Å; M124-F250 HydrophobicContact CB-CG 4.44Å; M124-F250 HydrophobicContact CB-CZ 3.51Å; M124-F250 HydrophobicContact CG-CD1 3.7Å; M124-F250 HydrophobicContact CG-CD2 3.76Å; M124-F250 HydrophobicContact CG-CE1 3.61Å; M124-F250 HydrophobicContact CG-CE2 3.68Å; M124-F250 HydrophobicContact CG-CG 3.76Å; M124-F250 HydrophobicContact CG-CZ 3.6Å; M124-F250 HydrophobicContact SD-CE2 4.34Å
125	R	83.1	Confident	74.7	Confident	6 Å²	6	43.7 Å²	43.7	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.6	-179.2	-70.5	167.6	-172.2	-85.4	-37.4	110.7	E123 P127 H136 P357	E123-R125 IonicContact OE1-CZ 3.63Å; E123-R125 IonicContact OE1-NE 2.75Å; E123-R125 PolarHBondContact OE1-NE 3.41Å; E123-R125 IonicContact OE1-NH2 3.68Å; E123-R125 PolarHBondContact OE1-NH2 3.27Å; E123-R125 IonicContact OE2-CZ 3.68Å; E123-R125 IonicContact OE2-NE 3.43Å; E123-R125 PolarHBondContact OE2-NE 3.28Å; E123-R125 IonicContact OE2-NH2 3.95Å; E123-R125 PolarHBondContact OE2-NH2 3.15Å; R125-P127 CarbonylContact C-O 3.58Å; R125-P127 CarbonylContact O-C 3.51Å; R125-H136 PolarHBondContact NH2-NE2 3.25Å; R125-P357 PolarHBondContact NH1-O 2.79Å
126	W	84.5	Confident	75.1	Confident	25 Å²	25	42.2 Å²	42.2	10%	0.095	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.1	170.5	-168.5	-98	0	0	0	112.7	E111 M124 R134 Y135 V252 R271	E111-W126 HydrophobicContact CB-CH2 4.42Å; M124-W126 HydrophobicContact CE-CE3 3.97Å; W126-R134 PolarHBondContact O-N 3.24Å; W126-Y135 PolarHBondContact N-O 3.36Å; W126-Y135 PolarHBondContact O-N 3.18Å; W126-V252 HydrophobicContact CB-CG1 4.14Å; W126-V252 HydrophobicContact CB-CG2 3.94Å; W126-V252 HydrophobicContact CG-CG1 3.82Å; W126-V252 HydrophobicContact CG-CG2 3.94Å; W126-R271 HydrophobicContact CD2-CG 4.41Å; W126-R271 HydrophobicContact CE3-CG 4.3Å; W126-R271 HydrophobicContact CZ3-CG 4.47Å
127	P	85.7	Confident	75.8	Confident	72 Å²	72	38 Å²	38	47%	0.468	21%	0.207	S	C	.	.	S	Bend	cis	-57.7	164	-11.5	-26.1	36.1	0	0	0	114.3	R125 D129 C130	R125-P127 CarbonylContact C-O 3.58Å; R125-P127 CarbonylContact O-C 3.51Å; P127-D129 PolarHBondContact O-N 3.45Å; P127-C130 WeakPolarHBondContact O-CB 3.27Å; P127-C130 PolarHBondContact O-N 3.44Å; P127-C130 PolarHBondContact O-SG 3.25Å
128	S	69.6	Low	76.7	Confident	50 Å²	50	35.9 Å²	35.9	35%	0.35	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15	-169.2	49.4	0	0	0	0	116.7	S114	S114-S128 WeakPolarHBondContact OG-CB 3.42Å
129	D	68.1	Low	77.4	Confident	99 Å²	99	31.1 Å²	31.1	53%	0.529	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	32.4	-179.6	-59.9	-66.5	0	0	0	111.8	P127	P127-D129 PolarHBondContact O-N 3.45Å
130	C	66.3	Low	77.6	Confident	12 Å²	12	28.5 Å²	28.5	8%	0.081	15%	0.152	C	C	.	.			trans	-75.3	145.5	-176	50.6	0	0	0	0	113.7	P127 C133 P357	P127-C130 WeakPolarHBondContact O-CB 3.27Å; P127-C130 PolarHBondContact O-N 3.44Å; P127-C130 PolarHBondContact O-SG 3.25Å; C130-C133 HydrophobicContact CB-CB 3.94Å; C130-C133 WeakPolarHBondContact CB-SG 3.35Å; C130-C133 PolarHBondContact O-SG 2.74Å; C130-C133 VanDerWaalsContact O-SG 3.4Å; C130-C133 WeakPolarHBondContact SG-CA 3.2Å; C130-C133 WeakPolarHBondContact SG-CB 3.29Å; C130-C133 CovalentContact SG-SG 2.02Å; C130-C133 PolarHBondContact SG-SG 2.77Å; C130-P357 WeakPolarHBondContact O-CD 3.44Å
131	T	54.3	Low	77.7	Confident	73 Å²	73	28.4 Å²	28.4	45%	0.448	15%	0.151	S	C	.	.	S	Bend	trans	-92.9	-38.6	168.8	59.1	0	0	0	0	113.7	P357 K384	T131-P357 VanDerWaalsContact CB-CG 3.45Å; T131-P357 HydrophobicContact CG2-CG 3.62Å; T131-K384 PolarHBondContact O-NZ 3.3Å
132	E	63.8	Low	77.2	Confident	75 Å²	75	27.6 Å²	27.6	35%	0.35	15%	0.148	S	C	.	.	S	Bend	trans	-117.5	91.1	168.2	-71.8	174	-148.8	0	0	106.6	R1039	E132-R1039 IonicContact OE1-CZ 3.79Å; E132-R1039 VanDerWaalsContact OE1-CZ 3.25Å; E132-R1039 IonicContact OE1-NE 2.8Å; E132-R1039 PolarHBondContact OE1-NE 3.13Å; E132-R1039 IonicContact OE1-NH2 3.53Å; E132-R1039 PolarHBondContact OE1-NH2 2.91Å; E132-R1039 IonicContact OE2-CZ 3.69Å; E132-R1039 IonicContact OE2-NH1 3.31Å; E132-R1039 IonicContact OE2-NH2 2.71Å; E132-R1039 PolarHBondContact OE2-NH2 2.83Å
133	C	74.7	Confident	76.7	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.034	17%	0.165	C	C	.	.			trans	-73.3	142	-173.9	-59.2	0	0	0	0	110.6	C130 Y135 H136 Q155	C130-C133 HydrophobicContact CB-CB 3.94Å; C130-C133 WeakPolarHBondContact CB-SG 3.35Å; C130-C133 PolarHBondContact O-SG 2.74Å; C130-C133 VanDerWaalsContact O-SG 3.4Å; C130-C133 WeakPolarHBondContact SG-CA 3.2Å; C130-C133 WeakPolarHBondContact SG-CB 3.29Å; C130-C133 CovalentContact SG-SG 2.02Å; C130-C133 PolarHBondContact SG-SG 2.77Å; C133-Y135 VanDerWaalsContact C-N 3.26Å; C133-Y135 WeakPolarHBondContact CB-O 3.33Å; C133-H136 HydrophobicContact CB-CB 4.22Å; C133-Q155 PolarHBondContact O-NE2 2.9Å
134	R	86.1	Confident	75.2	Confident	104 Å²	104	35.6 Å²	35.6	39%	0.392	19%	0.188	S	C	.	.	S	Bend	trans	-68.4	-36.3	167.5	-176.2	-179.8	-63.4	173.8	-1.9	109.9	W126 T154 Q155 V252 E253	W126-R134 PolarHBondContact O-N 3.24Å; R134-T154 CarbonylContact O-C 3.59Å; R134-T154 VanDerWaalsContact O-CA 3.27Å; R134-T154 WeakPolarHBondContact O-CA 3.28Å; R134-T154 PolarHBondContact O-OG1 3.05Å; R134-Q155 HydrophobicContact CG-CB 4.29Å; R134-Q155 PolarHBondContact O-N 2.88Å; R134-V252 HydrophobicContact CG-CG1 4.34Å; R134-E253 WeakPolarHBondContact CD-OE1 3.32Å; R134-E253 IonicContact CZ-OE1 2.69Å; R134-E253 IonicContact NE-OE1 3.09Å; R134-E253 IonicContact NH1-OE1 3.62Å; R134-E253 PolarHBondContact NH1-OE1 3.06Å; R134-E253 IonicContact NH1-OE2 3.53Å; R134-E253 PolarHBondContact NH1-OE2 2.83Å
135	Y	89.6	Confident	73.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.5	176.6	179.6	-80.7	0	0	0	109.5	W126 C133 L137 L152 E153 S162 G163 F250 V252	W126-Y135 PolarHBondContact N-O 3.36Å; W126-Y135 PolarHBondContact O-N 3.18Å; C133-Y135 VanDerWaalsContact C-N 3.26Å; C133-Y135 WeakPolarHBondContact CB-O 3.33Å; Y135-L137 HydrophobicContact CE1-CB 3.62Å; Y135-L152 HydrophobicContact CD2-CD1 3.95Å; Y135-L152 HydrophobicContact CE1-CD1 4.26Å; Y135-L152 HydrophobicContact CE2-CD1 3.32Å; Y135-L152 VanDerWaalsContact CZ-CD1 3.47Å; Y135-E153 CarbonylContact C-O 3.51Å; Y135-E153 WeakPolarHBondContact CA-O 3.33Å; Y135-S162 WeakPolarHBondContact CE2-OG 2.97Å; Y135-G163 PolarHBondContact OH-O 3.31Å; Y135-G163 VanDerWaalsContact OH-O 3.11Å; Y135-F250 HydrophobicContact CE1-CB 3.95Å; Y135-F250 AromaticContact CE1-CD1 3.86Å; Y135-F250 HydrophobicContact CE1-CD1 3.86Å; Y135-F250 HydrophobicContact CE1-CG 4.29Å; Y135-V252 HydrophobicContact CD1-CG2 4.26Å; Y135-V252 HydrophobicContact CD2-CB 4.47Å; Y135-V252 HydrophobicContact CD2-CG2 4.4Å; Y135-V252 HydrophobicContact CG-CB 4.36Å; Y135-V252 HydrophobicContact CG-CG2 3.98Å
136	H	85.1	Confident	73.3	Confident	7 Å²	7	42.4 Å²	42.4	3%	0.032	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	119.5	176.4	-178.8	-91.1	0	0	0	108.7	E123 M124 R125 C133 L152 E153 Q359	E123-H136 IonicContact OE2-NE2 2.71Å; E123-H136 PolarHBondContact OE2-NE2 3.35Å; M124-H136 WeakPolarHBondContact O-CA 3.13Å; R125-H136 PolarHBondContact NH2-NE2 3.25Å; C133-H136 HydrophobicContact CB-CB 4.22Å; H136-L152 WeakPolarHBondContact O-CA 3.34Å; H136-E153 HydrophobicContact CB-CB 4.37Å; H136-E153 PolarHBondContact N-O 2.85Å; H136-E153 PolarHBondContact O-N 3.29Å; H136-Q359 PolarHBondContact CE1-O 2.85Å
137	L	87.3	Confident	72.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.1	172.1	-175.8	84.3	0	0	0	108.5	E123 M124 Y135 W139 F150 S151 L152 V164 M248 F250	E123-L137 CarbonylContact C-O 3.47Å; E123-L137 WeakPolarHBondContact CA-O 3.19Å; E123-L137 WeakPolarHBondContact CB-O 3.46Å; M124-L137 PolarHBondContact N-O 3.29Å; M124-L137 PolarHBondContact O-N 2.83Å; Y135-L137 HydrophobicContact CE1-CB 3.62Å; L137-W139 HydrophobicContact CD2-CE3 4.02Å; L137-W139 HydrophobicContact CD2-CZ3 4.1Å; L137-W139 HydrophobicContact CG-CE3 4.34Å; L137-F150 HydrophobicContact CD1-CD1 4.22Å; L137-F150 HydrophobicContact CD2-CD1 4.23Å; L137-F150 HydrophobicContact CG-CD1 4.4Å; L137-S151 CarbonylContact C-O 3.45Å; L137-S151 WeakPolarHBondContact CA-O 3.41Å; L137-L152 HydrophobicContact CB-CD1 4.49Å; L137-L152 HydrophobicContact CD1-CB 3.92Å; L137-L152 HydrophobicContact CD1-CD1 4Å; L137-V164 HydrophobicContact CD1-CB 4.4Å; L137-V164 HydrophobicContact CD1-CG1 4.43Å; L137-V164 HydrophobicContact CD2-CB 3.73Å; L137-V164 HydrophobicContact CD2-CG1 4.25Å; L137-V164 HydrophobicContact CD2-CG2 3.47Å; L137-V164 VanDerWaalsContact CD2-CG2 3.47Å; L137-M248 HydrophobicContact CD2-CE 4.02Å; L137-F250 HydrophobicContact CD2-CD1 4.09Å; L137-F250 HydrophobicContact CD2-CE1 3.83Å
138	S	82.1	Confident	72.2	Confident	5 Å²	5	39.5 Å²	39.5	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	151.3	168.1	61.5	0	0	0	0	110.6	G122 F150 S151	G122-S138 CarbonylContact O-C 3.6Å; G122-S138 VanDerWaalsContact O-CA 3.3Å; G122-S138 WeakPolarHBondContact O-CA 3.17Å; S138-F150 CarbonylContact O-C 3.53Å; S138-F150 WeakPolarHBondContact O-CA 3.37Å; S138-S151 PolarHBondContact N-O 2.9Å; S138-S151 PolarHBondContact O-N 2.82Å
139	W	81.2	Confident	72.4	Confident	8 Å²	8	38 Å²	38	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.8	174	59.8	91.1	0	0	0	112.3	V115 A117 F121 G122 L137 I148 D149 F150 M248 V277 I279	V115-W139 HydrophobicContact CG1-CH2 3.56Å; V115-W139 HydrophobicContact CG1-CZ2 3.91Å; A117-W139 HydrophobicContact CB-CZ2 4.21Å; F121-W139 CarbonylContact C-O 3.51Å; F121-W139 WeakPolarHBondContact CA-O 3.22Å; F121-W139 WeakPolarHBondContact CB-O 3.33Å; G122-W139 VanDerWaalsContact CA-CE2 3.41Å; G122-W139 VanDerWaalsContact CA-CZ2 3.48Å; G122-W139 PolarHBondContact N-O 2.99Å; G122-W139 PolarHBondContact O-N 2.77Å; L137-W139 HydrophobicContact CD2-CE3 4.02Å; L137-W139 HydrophobicContact CD2-CZ3 4.1Å; L137-W139 HydrophobicContact CG-CE3 4.34Å; W139-I148 HydrophobicContact CB-CG2 3.94Å; W139-D149 CarbonylContact C-O 3.44Å; W139-D149 WeakPolarHBondContact CA-O 3.16Å; W139-F150 HydrophobicContact CB-CD1 3.73Å; W139-F150 HydrophobicContact CB-CE1 3.65Å; W139-F150 HydrophobicContact CB-CG 4.34Å; W139-F150 HydrophobicContact CB-CZ 4.18Å; W139-F150 HydrophobicContact CG-CE1 4.18Å; W139-M248 HydrophobicContact CD2-CE 4.21Å; W139-M248 HydrophobicContact CE3-CE 3.84Å; W139-M248 HydrophobicContact CE3-SD 4.41Å; W139-M248 HydrophobicContact CH2-CE 4.01Å; W139-M248 HydrophobicContact CH2-SD 3.59Å; W139-M248 VanDerWaalsContact CH2-SD 3.59Å; W139-M248 HydrophobicContact CZ2-CE 4.38Å; W139-M248 HydrophobicContact CZ2-SD 3.7Å; W139-M248 HydrophobicContact CZ3-CE 3.74Å; W139-M248 HydrophobicContact CZ3-SD 3.97Å; W139-V277 HydrophobicContact CZ2-CG1 3.8Å; W139-I279 HydrophobicContact CG-CD1 4.37Å
140	S	73	Confident	73	Confident	15 Å²	15	33.3 Å²	33.3	11%	0.105	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.9	169.8	58.8	0	0	0	0	111.4	C120 I148 D149 R341	C120-S140 CarbonylContact O-C 3.46Å; C120-S140 WeakPolarHBondContact O-CA 3.38Å; S140-I148 CarbonylContact O-C 3.37Å; S140-I148 WeakPolarHBondContact O-CA 3.33Å; S140-D149 PolarHBondContact N-O 2.93Å; S140-D149 PolarHBondContact O-N 3.49Å; S140-R341 PolarHBondContact OG-NH1 3.43Å; S140-R341 VanDerWaalsContact OG-NH1 3.16Å
141	Y	75.1	Confident	73.6	Confident	3 Å²	3	33.3 Å²	33.3	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.6	176.5	171.3	-110.9	0	0	0	111.1	C120 E143 Q146 L147 I148 R230 I279 K280 P281	C120-Y141 PolarHBondContact O-N 3.32Å; Y141-E143 HydrophobicContact CD1-CG 4.44Å; Y141-E143 HydrophobicContact CE1-CG 3.76Å; Y141-Q146 PolarHBondContact OH-NE2 2.85Å; Y141-Q146 PolarHBondContact OH-OE1 3.34Å; Y141-L147 WeakPolarHBondContact CA-O 3.49Å; Y141-L147 VanDerWaalsContact CD2-O 3.26Å; Y141-L147 WeakPolarHBondContact CD2-O 3.33Å; Y141-I148 HydrophobicContact CD2-CG1 4.1Å; Y141-R230 HydrophobicContact CD2-CG 3.62Å; Y141-R230 HydrophobicContact CE2-CG 3.48Å; Y141-R230 VanDerWaalsContact CE2-CG 3.48Å; Y141-R230 HydrophobicContact CG-CG 4.49Å; Y141-I279 HydrophobicContact CG-CG2 4.33Å; Y141-K280 WeakPolarHBondContact CD1-O 3.25Å; Y141-P281 HydrophobicContact CE1-CB 4.08Å; Y141-P281 HydrophobicContact CE1-CG 4.04Å
142	S	65	Low	75.1	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.6	175	165.3	0	0	0	0	110	D144 T145 Q146 L147	S142-D144 VanDerWaalsContact C-N 3.34Å; S142-T145 WeakPolarHBondContact CB-OG1 3.49Å; S142-T145 PolarHBondContact OG-N 2.9Å; S142-T145 PolarHBondContact OG-OG1 3.11Å; S142-Q146 WeakPolarHBondContact O-CA 3.16Å; S142-Q146 PolarHBondContact O-N 3.38Å; S142-L147 PolarHBondContact N-O 2.78Å; S142-L147 PolarHBondContact O-N 2.88Å
143	E	66.2	Low	76.1	Confident	82 Å²	82	27.3 Å²	27.3	38%	0.383	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.8	175.1	-73.4	-178.7	-151.7	0	0	112.3	Y141 Q146 P281 C282	Y141-E143 HydrophobicContact CD1-CG 4.44Å; Y141-E143 HydrophobicContact CE1-CG 3.76Å; E143-Q146 PolarHBondContact O-NE2 3.26Å; E143-P281 HydrophobicContact CG-CB 3.83Å; E143-P281 WeakPolarHBondContact OE1-CA 3.1Å; E143-P281 WeakPolarHBondContact OE1-CB 3.31Å; E143-C282 PolarHBondContact OE1-N 2.76Å; E143-C282 VanDerWaalsContact OE1-O 3.05Å
144	D	51.1	Low	76.7	Confident	99 Å²	99	27 Å²	27	53%	0.529	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-41.3	-178.4	-64.2	-31.4	0	0	0	111.3	S142	S142-D144 VanDerWaalsContact C-N 3.34Å
145	T	58.7	Low	76.9	Confident	43 Å²	43	26.2 Å²	26.2	26%	0.264	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-15.6	179.9	63.2	0	0	0	0	113.9	S142 L147 H420	S142-T145 WeakPolarHBondContact CB-OG1 3.49Å; S142-T145 PolarHBondContact OG-N 2.9Å; S142-T145 PolarHBondContact OG-OG1 3.11Å; T145-L147 WeakPolarHBondContact O-CG 3.37Å; T145-L147 PolarHBondContact O-N 2.87Å; T145-L147 WeakPolarHBondContact OG1-CB 3.21Å; T145-L147 PolarHBondContact OG1-N 3.36Å; T145-H420 HydrophobicContact CG2-CB 3.28Å; T145-H420 VanDerWaalsContact CG2-CD2 3.42Å; T145-H420 WeakPolarHBondContact CG2-CD2 2.81Å; T145-H420 VanDerWaalsContact CG2-CG 3.49Å
146	Q	70.8	Confident	76.7	Confident	108 Å²	108	26.7 Å²	26.7	51%	0.505	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	22	-170.3	-56.8	-75.2	-52.2	0	0	113.7	Y141 S142 E143	Y141-Q146 PolarHBondContact OH-NE2 2.85Å; Y141-Q146 PolarHBondContact OH-OE1 3.34Å; S142-Q146 WeakPolarHBondContact O-CA 3.16Å; S142-Q146 PolarHBondContact O-N 3.38Å; E143-Q146 PolarHBondContact O-NE2 3.26Å
147	L	71.1	Confident	76.8	Confident	35 Å²	35	29.5 Å²	29.5	18%	0.183	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.3	-177	-53	-171.9	0	0	0	112.4	Y141 S142 T145 L209 P229	Y141-L147 WeakPolarHBondContact CA-O 3.49Å; Y141-L147 VanDerWaalsContact CD2-O 3.26Å; Y141-L147 WeakPolarHBondContact CD2-O 3.33Å; S142-L147 PolarHBondContact N-O 2.78Å; S142-L147 PolarHBondContact O-N 2.88Å; T145-L147 WeakPolarHBondContact O-CG 3.37Å; T145-L147 PolarHBondContact O-N 2.87Å; T145-L147 WeakPolarHBondContact OG1-CB 3.21Å; T145-L147 PolarHBondContact OG1-N 3.36Å; L147-L209 HydrophobicContact CD1-CD1 3.59Å; L147-L209 HydrophobicContact CD2-CD1 3.07Å; L147-L209 HydrophobicContact CG-CD1 3.92Å; L147-P229 HydrophobicContact CD2-CB 4.2Å
148	I	77.1	Confident	76.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.5	166.2	-49.3	163.4	0	0	0	107.3	W139 S140 Y141 F150 S227 R228 R230 I279	W139-I148 HydrophobicContact CB-CG2 3.94Å; S140-I148 CarbonylContact O-C 3.37Å; S140-I148 WeakPolarHBondContact O-CA 3.33Å; Y141-I148 HydrophobicContact CD2-CG1 4.1Å; I148-F150 HydrophobicContact CB-CE2 3.74Å; I148-F150 HydrophobicContact CB-CZ 4.27Å; I148-F150 HydrophobicContact CG2-CD2 4.09Å; I148-F150 HydrophobicContact CG2-CE1 4.35Å; I148-F150 HydrophobicContact CG2-CE2 3.32Å; I148-F150 HydrophobicContact CG2-CZ 3.49Å; I148-F150 VanDerWaalsContact CG2-CZ 3.49Å; I148-S227 CarbonylContact O-C 3.56Å; I148-S227 WeakPolarHBondContact O-CA 3.28Å; I148-R228 HydrophobicContact CB-CG 4.3Å; I148-R228 HydrophobicContact CD1-CG 4.37Å; I148-R228 PolarHBondContact N-O 3.31Å; I148-R228 PolarHBondContact O-N 2.87Å; I148-R230 HydrophobicContact CD1-CG 3.79Å; I148-R230 HydrophobicContact CG1-CG 3.71Å; I148-I279 HydrophobicContact CD1-CD1 3.77Å; I148-I279 HydrophobicContact CD1-CG2 4.28Å; I148-I279 HydrophobicContact CG1-CD1 4.45Å; I148-I279 HydrophobicContact CG1-CG2 4.13Å; I148-I279 HydrophobicContact CG2-CD1 4.01Å; I148-I279 HydrophobicContact CG2-CG2 4.45Å
149	D	73.7	Confident	76.7	Confident	19 Å²	19	36.9 Å²	36.9	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122	176.5	-57.7	-51.4	0	0	0	109.9	W139 S140 S227	W139-D149 CarbonylContact C-O 3.44Å; W139-D149 WeakPolarHBondContact CA-O 3.16Å; S140-D149 PolarHBondContact N-O 2.93Å; S140-D149 PolarHBondContact O-N 3.49Å; D149-S227 VanDerWaalsContact OD1-CB 3.29Å; D149-S227 WeakPolarHBondContact OD1-CB 3.41Å; D149-S227 PolarHBondContact OD1-OG 3.44Å
150	F	81.2	Confident	77.1	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.6	176.7	-67.8	-91.5	0	0	0	110.8	L137 S138 W139 I148 V164 F166 A225 F226 R228 M248	L137-F150 HydrophobicContact CD1-CD1 4.22Å; L137-F150 HydrophobicContact CD2-CD1 4.23Å; L137-F150 HydrophobicContact CG-CD1 4.4Å; S138-F150 CarbonylContact O-C 3.53Å; S138-F150 WeakPolarHBondContact O-CA 3.37Å; W139-F150 HydrophobicContact CB-CD1 3.73Å; W139-F150 HydrophobicContact CB-CE1 3.65Å; W139-F150 HydrophobicContact CB-CG 4.34Å; W139-F150 HydrophobicContact CB-CZ 4.18Å; W139-F150 HydrophobicContact CG-CE1 4.18Å; I148-F150 HydrophobicContact CB-CE2 3.74Å; I148-F150 HydrophobicContact CB-CZ 4.27Å; I148-F150 HydrophobicContact CG2-CD2 4.09Å; I148-F150 HydrophobicContact CG2-CE1 4.35Å; I148-F150 HydrophobicContact CG2-CE2 3.32Å; I148-F150 HydrophobicContact CG2-CZ 3.49Å; I148-F150 VanDerWaalsContact CG2-CZ 3.49Å; F150-V164 HydrophobicContact CD1-CG1 4.36Å; F150-V164 HydrophobicContact CE1-CG1 4.48Å; F150-F166 AromaticContact CE1-CZ 3.86Å; F150-F166 HydrophobicContact CE1-CZ 3.86Å; F150-F166 HydrophobicContact CZ-CE1 4.31Å; F150-F166 HydrophobicContact CZ-CE2 4.48Å; F150-F166 AromaticContact CZ-CZ 3.55Å; F150-F166 HydrophobicContact CZ-CZ 3.55Å; F150-A225 VanDerWaalsContact O-CA 3.26Å; F150-A225 WeakPolarHBondContact O-CA 3.44Å; F150-F226 WeakPolarHBondContact CA-O 3.46Å; F150-F226 HydrophobicContact CB-CD1 4.17Å; F150-F226 HydrophobicContact CB-CD2 3.86Å; F150-F226 HydrophobicContact CB-CE1 3.83Å; F150-F226 HydrophobicContact CB-CE2 3.5Å; F150-F226 VanDerWaalsContact CB-CE2 3.5Å; F150-F226 HydrophobicContact CB-CG 4.18Å; F150-F226 HydrophobicContact CB-CZ 3.48Å; F150-F226 VanDerWaalsContact CB-CZ 3.48Å; F150-F226 WeakPolarHBondContact CB-O 3.44Å; F150-F226 HydrophobicContact CD1-CE2 4.37Å; F150-F226 HydrophobicContact CD1-CZ 4.42Å; F150-F226 HydrophobicContact CD2-CD2 4.03Å; F150-F226 AromaticContact CD2-CE2 3.69Å; F150-F226 HydrophobicContact CD2-CE2 3.69Å; F150-F226 HydrophobicContact CD2-CZ 4.44Å; F150-F226 HydrophobicContact CG-CD2 4.17Å; F150-F226 AromaticContact CG-CE2 3.58Å; F150-F226 HydrophobicContact CG-CE2 3.58Å; F150-F226 AromaticContact CG-CZ 3.86Å; F150-F226 HydrophobicContact CG-CZ 3.86Å; F150-F226 PolarHBondContact N-O 3.47Å; F150-F226 PolarHBondContact O-N 3.23Å; F150-F226 VanDerWaalsContact O-N 3.12Å; F150-R228 HydrophobicContact CD2-CG 4.23Å; F150-R228 HydrophobicContact CE2-CG 3.51Å; F150-R228 HydrophobicContact CZ-CG 4.42Å; F150-M248 HydrophobicContact CE1-CE 4.25Å
151	S	78.4	Confident	78	Confident	11 Å²	11	35.8 Å²	35.8	8%	0.077	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.7	167.4	-176.2	0	0	0	0	108.9	L137 S138	L137-S151 CarbonylContact C-O 3.45Å; L137-S151 WeakPolarHBondContact CA-O 3.41Å; S138-S151 PolarHBondContact N-O 2.9Å; S138-S151 PolarHBondContact O-N 2.82Å
152	L	84.8	Confident	78.8	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	-178.6	174.9	64.9	0	0	0	109.8	Y135 H136 L137 V180 R223 A224 F226	Y135-L152 HydrophobicContact CD2-CD1 3.95Å; Y135-L152 HydrophobicContact CE1-CD1 4.26Å; Y135-L152 HydrophobicContact CE2-CD1 3.32Å; Y135-L152 VanDerWaalsContact CZ-CD1 3.47Å; H136-L152 WeakPolarHBondContact O-CA 3.34Å; L137-L152 HydrophobicContact CB-CD1 4.49Å; L137-L152 HydrophobicContact CD1-CB 3.92Å; L137-L152 HydrophobicContact CD1-CD1 4Å; L152-V180 HydrophobicContact CD2-CB 4.06Å; L152-V180 HydrophobicContact CD2-CG2 3.77Å; L152-R223 CarbonylContact O-C 3.54Å; L152-R223 VanDerWaalsContact O-CA 3.24Å; L152-R223 WeakPolarHBondContact O-CA 3.39Å; L152-A224 PolarHBondContact N-O 2.92Å; L152-A224 PolarHBondContact O-N 2.92Å; L152-F226 HydrophobicContact CB-CE1 4.32Å
153	E	84.9	Confident	80	Confident	20 Å²	20	35.4 Å²	35.4	9%	0.093	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.8	167.4	175.1	169	112.9	0	0	108.8	Y135 H136 I221 L222 R223 Q359 H385	Y135-E153 CarbonylContact C-O 3.51Å; Y135-E153 WeakPolarHBondContact CA-O 3.33Å; H136-E153 HydrophobicContact CB-CB 4.37Å; H136-E153 PolarHBondContact N-O 2.85Å; H136-E153 PolarHBondContact O-N 3.29Å; E153-I221 HydrophobicContact CG-CG2 3.65Å; E153-L222 CarbonylContact C-O 3.51Å; E153-L222 WeakPolarHBondContact CA-O 3.5Å; E153-R223 HydrophobicContact CB-CG 4.44Å; E153-R223 HydrophobicContact CG-CG 4.28Å; E153-R223 IonicContact OE2-CZ 2.74Å; E153-R223 IonicContact OE2-NE 2.61Å; E153-R223 PolarHBondContact OE2-NE 3.39Å; E153-R223 IonicContact OE2-NH2 3.94Å; E153-Q359 PolarHBondContact OE1-NE2 2.84Å; E153-H385 IonicContact OE2-NE2 3.25Å
154	T	88.7	Confident	81.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	140.6	-179.1	-176	0	0	0	0	112.1	R134 L156 I221 L222 V252	R134-T154 CarbonylContact O-C 3.59Å; R134-T154 VanDerWaalsContact O-CA 3.27Å; R134-T154 WeakPolarHBondContact O-CA 3.28Å; R134-T154 PolarHBondContact O-OG1 3.05Å; T154-L156 HydrophobicContact CG2-CD1 3.76Å; T154-L156 HydrophobicContact CG2-CG 3.97Å; T154-L156 PolarHBondContact O-N 2.81Å; T154-I221 CarbonylContact O-C 3.53Å; T154-I221 WeakPolarHBondContact O-CA 3.42Å; T154-L222 HydrophobicContact CG2-CB 3.85Å; T154-L222 HydrophobicContact CG2-CD2 4.1Å; T154-L222 HydrophobicContact CG2-CG 4.2Å; T154-L222 PolarHBondContact N-O 3.42Å; T154-L222 PolarHBondContact O-N 2.89Å; T154-V252 PolarHBondContact OG1-O 2.74Å
155	Q	88.8	Confident	83.1	Confident	86 Å²	86	26.8 Å²	26.8	40%	0.402	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	105.4	177.5	-61.7	-179.4	22.1	0	0	109.4	C133 R134 G220 I221	C133-Q155 PolarHBondContact O-NE2 2.9Å; R134-Q155 HydrophobicContact CG-CB 4.29Å; R134-Q155 PolarHBondContact O-N 2.88Å; Q155-G220 CarbonylContact C-O 3.57Å; Q155-G220 VanDerWaalsContact CA-O 3.27Å; Q155-G220 WeakPolarHBondContact CA-O 3.34Å; Q155-I221 HydrophobicContact CG-CG1 4.33Å
156	L	86.7	Confident	84.7	Confident	10 Å²	10	25 Å²	25	5%	0.052	14%	0.135	C	C	.	.			trans	-138.9	154.1	-178.3	-70.2	-178.9	0	0	0	111.8	T154 S160 H217 G220 L222 E253	T154-L156 HydrophobicContact CG2-CD1 3.76Å; T154-L156 HydrophobicContact CG2-CG 3.97Å; T154-L156 PolarHBondContact O-N 2.81Å; L156-S160 VanDerWaalsContact CB-OG 3.3Å; L156-S160 WeakPolarHBondContact CB-OG 3.29Å; L156-H217 PolarHBondContact O-CE1 2.76Å; L156-H217 PolarHBondContact O-NE2 3.03Å; L156-G220 PolarHBondContact N-O 2.88Å; L156-G220 CarbonylContact O-C 3.47Å; L156-G220 WeakPolarHBondContact O-CA 3.36Å; L156-L222 HydrophobicContact CD1-CD2 4.27Å; L156-E253 WeakPolarHBondContact CD2-O 3.39Å
157	P	86.6	Confident	85.6	Confident	67 Å²	67	19.8 Å²	19.8	44%	0.435	11%	0.111	S	C	.	.			trans	-71.6	158	170.2	30.3	-34.7	0	0	0	111.2	S160 H217	P157-S160 WeakPolarHBondContact O-CB 3.39Å; P157-S160 PolarHBondContact O-OG 3.15Å; P157-H217 PolarHBondContact O-CE1 3.07Å; P157-H217 VanDerWaalsContact O-CE1 3.28Å
158	P	81.2	Confident	86.2	Confident	87 Å²	87	22.4 Å²	22.4	57%	0.565	12%	0.122	S	C	*	.	S	Bend	trans	-54.5	155.5	171.8	-24.2	33.6	0	0	0	112.9
159	N	86.9	Confident	86.5	Confident	72 Å²	72	24.2 Å²	24.2	39%	0.385	14%	0.135	S	C	.	.	S	Bend	trans	62.3	41	-177.3	-52.2	-42.5	0	0	0	113.2	S182 G184 I257	N159-S182 CarbonylContact C-O 3.53Å; N159-S182 WeakPolarHBondContact CA-O 3.4Å; N159-S182 PolarHBondContact N-O 3.03Å; N159-G184 PolarHBondContact OD1-N 3.28Å; N159-I257 PolarHBondContact O-N 3.42Å
160	S	90.2	Very high	86.6	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	166.9	179.9	60.8	0	0	0	0	110.9	L156 P157 S182 G255 I257	L156-S160 VanDerWaalsContact CB-OG 3.3Å; L156-S160 WeakPolarHBondContact CB-OG 3.29Å; P157-S160 WeakPolarHBondContact O-CB 3.39Å; P157-S160 PolarHBondContact O-OG 3.15Å; S160-S182 PolarHBondContact N-O 3.42Å; S160-S182 PolarHBondContact O-N 3.41Å; S160-G255 CarbonylContact C-O 3.59Å; S160-G255 VanDerWaalsContact CA-O 3.23Å; S160-G255 WeakPolarHBondContact CA-O 3.49Å; S160-G255 WeakPolarHBondContact CB-O 3.41Å; S160-I257 VanDerWaalsContact O-CD1 3.28Å; S160-I257 WeakPolarHBondContact O-CD1 3.24Å
161	W	89.9	Confident	86.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.8	173.8	69	-93.3	0	0	0	110.4	V179 V180 K181 F200 Y251 G254 G255 I257 I263 M264 P266	W161-V179 HydrophobicContact CB-CG1 3.76Å; W161-V179 HydrophobicContact CD2-CG1 3.91Å; W161-V179 HydrophobicContact CE3-CB 4.45Å; W161-V179 HydrophobicContact CE3-CG1 3.56Å; W161-V179 HydrophobicContact CE3-CG2 4.17Å; W161-V179 HydrophobicContact CG-CG1 4.01Å; W161-V179 HydrophobicContact CZ3-CG1 4.42Å; W161-V179 HydrophobicContact CZ3-CG2 4.23Å; W161-V180 CarbonylContact C-O 3.54Å; W161-V180 WeakPolarHBondContact CA-O 3.42Å; W161-V180 WeakPolarHBondContact CB-O 3.22Å; W161-K181 HydrophobicContact CB-CG 4.35Å; W161-F200 HydrophobicContact CH2-CE1 4.09Å; W161-F200 AromaticContact CH2-CE2 3.98Å; W161-F200 HydrophobicContact CH2-CE2 3.98Å; W161-F200 AromaticContact CH2-CZ 3.58Å; W161-F200 HydrophobicContact CH2-CZ 3.58Å; W161-F200 HydrophobicContact CZ2-CE2 4.24Å; W161-F200 HydrophobicContact CZ2-CZ 4.29Å; W161-F200 HydrophobicContact CZ3-CE1 4.49Å; W161-F200 HydrophobicContact CZ3-CZ 4.37Å; W161-Y251 AromaticContact CH2-CD1 3.86Å; W161-Y251 HydrophobicContact CH2-CD1 3.86Å; W161-Y251 HydrophobicContact CH2-CE1 4.33Å; W161-Y251 HydrophobicContact CH2-CG 4.16Å; W161-Y251 HydrophobicContact CZ3-CD1 4.04Å; W161-Y251 HydrophobicContact CZ3-CD2 4.35Å; W161-Y251 AromaticContact CZ3-CG 3.85Å; W161-Y251 HydrophobicContact CZ3-CG 3.85Å; W161-G254 CarbonylContact O-C 3.56Å; W161-G254 WeakPolarHBondContact O-CA 3.28Å; W161-G255 PolarHBondContact N-O 2.87Å; W161-G255 VanDerWaalsContact NE1-C 3.32Å; W161-G255 PolarHBondContact O-N 2.81Å; W161-I257 HydrophobicContact CB-CD1 4.33Å; W161-I257 HydrophobicContact CB-CG1 4.2Å; W161-I263 HydrophobicContact CD2-CG2 3.99Å; W161-I263 VanDerWaalsContact CE2-CG2 3.41Å; W161-I263 HydrophobicContact CG-CG2 4.24Å; W161-I263 HydrophobicContact CZ2-CG2 3.73Å; W161-I263 VanDerWaalsContact NE1-CG2 3.29Å; W161-M264 WeakPolarHBondContact CZ2-O 3.13Å; W161-M264 PolarHBondContact NE1-O 2.81Å; W161-P266 HydrophobicContact CH2-CB 4.13Å; W161-P266 HydrophobicContact CH2-CG 4.41Å; W161-P266 HydrophobicContact CZ2-CB 4.07Å; W161-P266 HydrophobicContact CZ2-CG 4.47Å
162	S	92	Very high	85.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	-176.4	167	-169.8	0	0	0	0	108.8	Y135 V179 V180 Y251	Y135-S162 WeakPolarHBondContact CE2-OG 2.97Å; S162-V179 CarbonylContact O-C 3.54Å; S162-V179 WeakPolarHBondContact O-CA 3.34Å; S162-V180 PolarHBondContact N-O 3.03Å; S162-V180 PolarHBondContact O-N 3.32Å; S162-Y251 PolarHBondContact OG-O 3.3Å
163	G	90.2	Very high	85.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	177.4	179.9	0	0	0	0	0	114.6	Y135 F178 Y251	Y135-G163 PolarHBondContact OH-O 3.31Å; Y135-G163 VanDerWaalsContact OH-O 3.11Å; G163-F178 CarbonylContact C-O 3.5Å; G163-F178 WeakPolarHBondContact CA-O 3.38Å; G163-Y251 WeakPolarHBondContact O-CD2 3.04Å; G163-Y251 PolarHBondContact O-N 2.94Å; G163-Y251 VanDerWaalsContact O-N 3.11Å
164	V	92.2	Very high	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.9	172.7	60.1	0	0	0	0	109.1	L137 F150 F166 V177 F178 F226 M248 I249 F250	L137-V164 HydrophobicContact CD1-CB 4.4Å; L137-V164 HydrophobicContact CD1-CG1 4.43Å; L137-V164 HydrophobicContact CD2-CB 3.73Å; L137-V164 HydrophobicContact CD2-CG1 4.25Å; L137-V164 HydrophobicContact CD2-CG2 3.47Å; L137-V164 VanDerWaalsContact CD2-CG2 3.47Å; F150-V164 HydrophobicContact CD1-CG1 4.36Å; F150-V164 HydrophobicContact CE1-CG1 4.48Å; V164-F166 HydrophobicContact CG1-CE2 4.28Å; V164-F166 HydrophobicContact CG2-CE2 4.25Å; V164-F166 HydrophobicContact CG2-CZ 4.25Å; V164-V177 WeakPolarHBondContact O-CA 3.43Å; V164-F178 HydrophobicContact CG1-CB 4.26Å; V164-F178 PolarHBondContact N-O 2.83Å; V164-F178 VanDerWaalsContact N-O 3.08Å; V164-F178 PolarHBondContact O-N 2.98Å; V164-F226 HydrophobicContact CG1-CE2 4.23Å; V164-F226 HydrophobicContact CG1-CZ 3.86Å; V164-M248 HydrophobicContact CG2-CE 3.7Å; V164-I249 CarbonylContact C-O 3.56Å; V164-I249 VanDerWaalsContact CA-O 3.29Å; V164-I249 WeakPolarHBondContact CA-O 3.46Å; V164-F250 HydrophobicContact CG2-CD1 4.49Å; V164-F250 HydrophobicContact CG2-CE1 4.47Å
165	G	91.4	Very high	84.8	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	168.9	173.5	0	0	0	0	0	114.5	D176 M248 I249	G165-D176 CarbonylContact C-O 3.54Å; G165-D176 VanDerWaalsContact C-O 3.29Å; G165-D176 WeakPolarHBondContact CA-O 3.48Å; G165-M248 CarbonylContact O-C 3.56Å; G165-M248 VanDerWaalsContact O-CA 3.3Å; G165-M248 WeakPolarHBondContact O-CA 3.13Å; G165-I249 PolarHBondContact N-O 2.99Å; G165-I249 PolarHBondContact O-N 2.72Å
166	F	91.3	Very high	84.8	Confident	5 Å²	5	30.9 Å²	30.9	2%	0.022	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117	-173.4	-57.8	-96.1	0	0	0	108.3	F150 V164 A175 D176 F178 A238 Y246 Y247 M248	F150-F166 AromaticContact CE1-CZ 3.86Å; F150-F166 HydrophobicContact CE1-CZ 3.86Å; F150-F166 HydrophobicContact CZ-CE1 4.31Å; F150-F166 HydrophobicContact CZ-CE2 4.48Å; F150-F166 AromaticContact CZ-CZ 3.55Å; F150-F166 HydrophobicContact CZ-CZ 3.55Å; V164-F166 HydrophobicContact CG1-CE2 4.28Å; V164-F166 HydrophobicContact CG2-CE2 4.25Å; V164-F166 HydrophobicContact CG2-CZ 4.25Å; F166-A175 VanDerWaalsContact O-CA 3.31Å; F166-A175 WeakPolarHBondContact O-CA 3.48Å; F166-D176 HydrophobicContact CB-CB 4.35Å; F166-D176 PolarHBondContact N-O 3.33Å; F166-D176 PolarHBondContact O-N 2.73Å; F166-F178 HydrophobicContact CE2-CD2 4.01Å; F166-F178 HydrophobicContact CE2-CE2 4.25Å; F166-A238 HydrophobicContact CB-CB 3.33Å; F166-A238 HydrophobicContact CG-CB 3.99Å; F166-Y246 HydrophobicContact CB-CD1 4.15Å; F166-Y246 HydrophobicContact CB-CG 4.13Å; F166-Y247 WeakPolarHBondContact CA-O 3.25Å; F166-M248 HydrophobicContact CD1-CG 4.34Å; F166-M248 HydrophobicContact CE1-CE 3.9Å; F166-M248 HydrophobicContact CE1-CG 4.3Å; F166-M248 HydrophobicContact CZ-CE 4.12Å
167	S	89.9	Confident	84.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.6	-177.3	168.4	0	0	0	0	111.4	S169 G172 Y247	S167-S169 WeakPolarHBondContact CB-O 3.47Å; S167-S169 PolarHBondContact OG-N 3.41Å; S167-S169 PolarHBondContact OG-O 3.12Å; S167-S169 PolarHBondContact OG-OG 2.97Å; S167-G172 WeakPolarHBondContact OG-CA 3.01Å; S167-Y247 PolarHBondContact N-O 2.98Å; S167-Y247 WeakPolarHBondContact O-CB 3.19Å; S167-Y247 PolarHBondContact O-N 2.74Å
168	Q	85	Confident	85	Confident	89 Å²	89	27.2 Å²	27.2	42%	0.416	18%	0.181	S	C	.	.	S	Bend	trans	-73.9	-20.2	170.6	-74.6	-66.4	-8.5	0	0	112.7	Y246 K276	Q168-Y246 HydrophobicContact CG-CD1 4.12Å; Q168-Y246 HydrophobicContact CG-CE1 3.77Å; Q168-Y246 PolarHBondContact NE2-OH 3.06Å; Q168-K276 WeakPolarHBondContact O-CE 3.21Å; Q168-K276 PolarHBondContact O-NZ 3.43Å
169	S	82.3	Confident	85.4	Confident	38 Å²	38	23.1 Å²	23.1	27%	0.266	15%	0.154	S	C	.	.	S	Bend	trans	-108.1	143.1	-178.9	76.4	0	0	0	0	111.7	S167 A171 G172 V173 Y247	S167-S169 WeakPolarHBondContact CB-O 3.47Å; S167-S169 PolarHBondContact OG-N 3.41Å; S167-S169 PolarHBondContact OG-O 3.12Å; S167-S169 PolarHBondContact OG-OG 2.97Å; S169-A171 PolarHBondContact O-N 3.02Å; S169-A171 VanDerWaalsContact O-N 3.16Å; S169-G172 PolarHBondContact O-N 3.13Å; S169-G172 VanDerWaalsContact O-N 3.14Å; S169-G172 PolarHBondContact OG-N 3.4Å; S169-V173 PolarHBondContact OG-N 2.95Å; S169-V173 VanDerWaalsContact OG-N 3.13Å; S169-Y247 VanDerWaalsContact C-CD2 3.45Å
170	S	76.4	Confident	85.5	Confident	72 Å²	72	19.7 Å²	19.7	50%	0.503	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.1	171.4	55.4	0	0	0	0	113.3	I272	S170-I272 WeakPolarHBondContact O-CD1 3.39Å
171	A	72.4	Confident	85.3	Confident	59 Å²	59	21.5 Å²	21.5	49%	0.488	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-6.2	174.1	0	0	0	0	0	113.1	S169 V173	S169-A171 PolarHBondContact O-N 3.02Å; S169-A171 VanDerWaalsContact O-N 3.16Å; A171-V173 HydrophobicContact CB-CG2 4.01Å; A171-V173 PolarHBondContact O-N 3.44Å
172	G	70.1	Confident	85.2	Confident	10 Å²	10	21.5 Å²	21.5	10%	0.103	14%	0.143	C	C	.	.			trans	72.2	11.6	-178.3	0	0	0	0	0	115.1	S167 S169 A175	S167-G172 WeakPolarHBondContact OG-CA 3.01Å; S169-G172 PolarHBondContact O-N 3.13Å; S169-G172 VanDerWaalsContact O-N 3.14Å; S169-G172 PolarHBondContact OG-N 3.4Å; G172-A175 WeakPolarHBondContact O-CB 3.37Å
173	V	73.7	Confident	84.8	Confident	91 Å²	91	25.3 Å²	25.3	55%	0.552	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	131.9	179.1	179.7	0	0	0	0	110	S169 A171 A175	S169-V173 PolarHBondContact OG-N 2.95Å; S169-V173 VanDerWaalsContact OG-N 3.13Å; A171-V173 HydrophobicContact CB-CG2 4.01Å; A171-V173 PolarHBondContact O-N 3.44Å; V173-A175 VanDerWaalsContact C-N 3.34Å
174	G	76.7	Confident	84.1	Confident	47 Å²	47	26.8 Å²	26.8	49%	0.485	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	33.9	179.7	0	0	0	0	0	112.8	V194	G174-V194 WeakPolarHBondContact CA-O 3.26Å
175	A	86.9	Confident	82.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.218	C	C	.	.			trans	-75.7	135.1	-179.1	0	0	0	0	0	111.5	F166 G172 V173 V177 H193 V194 I249	F166-A175 VanDerWaalsContact O-CA 3.31Å; F166-A175 WeakPolarHBondContact O-CA 3.48Å; G172-A175 WeakPolarHBondContact O-CB 3.37Å; V173-A175 VanDerWaalsContact C-N 3.34Å; A175-V177 HydrophobicContact CB-CG2 3.97Å; A175-H193 CarbonylContact O-C 3.5Å; A175-H193 WeakPolarHBondContact O-CA 3.42Å; A175-V194 HydrophobicContact CB-CB 4.32Å; A175-V194 HydrophobicContact CB-CG2 4.07Å; A175-V194 PolarHBondContact O-N 2.87Å; A175-I249 HydrophobicContact CB-CD1 3.4Å; A175-I249 VanDerWaalsContact CB-CD1 3.4Å
176	D	89.1	Confident	82	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.2	159.5	163.9	3.9	0	0	0	107.6	G165 F166 F178 R228 A238	G165-D176 CarbonylContact C-O 3.54Å; G165-D176 VanDerWaalsContact C-O 3.29Å; G165-D176 WeakPolarHBondContact CA-O 3.48Å; F166-D176 HydrophobicContact CB-CB 4.35Å; F166-D176 PolarHBondContact N-O 3.33Å; F166-D176 PolarHBondContact O-N 2.73Å; D176-F178 VanDerWaalsContact OD1-CE2 3.32Å; D176-F178 WeakPolarHBondContact OD1-CE2 3.39Å; D176-R228 IonicContact OD2-CZ 2.73Å; D176-R228 VanDerWaalsContact OD2-CZ 3.28Å; D176-R228 IonicContact OD2-NH1 3.77Å; D176-R228 PolarHBondContact OD2-NH1 2.94Å; D176-R228 IonicContact OD2-NH2 3.44Å; D176-R228 PolarHBondContact OD2-NH2 3.15Å; D176-A238 HydrophobicContact CB-CB 4.03Å; D176-A238 WeakPolarHBondContact OD2-CB 3.42Å; D176-A238 PolarHBondContact OD2-N 2.62Å
177	V	88.7	Confident	81.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	119.5	-171	-173.3	0	0	0	0	112.7	V164 A175 V179 M192 V194 F200 Y251	V164-V177 WeakPolarHBondContact O-CA 3.43Å; A175-V177 HydrophobicContact CB-CG2 3.97Å; V177-V179 HydrophobicContact CG1-CG2 3.85Å; V177-M192 CarbonylContact C-O 3.43Å; V177-M192 WeakPolarHBondContact CA-O 3.25Å; V177-M192 PolarHBondContact N-O 3.11Å; V177-M192 WeakPolarHBondContact O-CB 3.48Å; V177-M192 PolarHBondContact O-N 3.43Å; V177-M192 VanDerWaalsContact O-O 3.05Å; V177-V194 HydrophobicContact CG2-CG2 3.79Å; V177-F200 HydrophobicContact CB-CE1 4.43Å; V177-F200 HydrophobicContact CG1-CE1 4.04Å; V177-F200 HydrophobicContact CG2-CE1 4.31Å; V177-Y251 HydrophobicContact CB-CE2 4.46Å; V177-Y251 HydrophobicContact CG1-CD2 4.14Å; V177-Y251 HydrophobicContact CG1-CE2 3.45Å; V177-Y251 VanDerWaalsContact CG1-CE2 3.45Å; V177-Y251 HydrophobicContact CG2-CE2 4.12Å
178	F	88.9	Confident	81	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.8	167.7	-67.3	-86.9	0	0	0	110.4	G163 V164 F166 D176 I189 D191 H208 F226 R228	G163-F178 CarbonylContact C-O 3.5Å; G163-F178 WeakPolarHBondContact CA-O 3.38Å; V164-F178 HydrophobicContact CG1-CB 4.26Å; V164-F178 PolarHBondContact N-O 2.83Å; V164-F178 VanDerWaalsContact N-O 3.08Å; V164-F178 PolarHBondContact O-N 2.98Å; F166-F178 HydrophobicContact CE2-CD2 4.01Å; F166-F178 HydrophobicContact CE2-CE2 4.25Å; D176-F178 VanDerWaalsContact OD1-CE2 3.32Å; D176-F178 WeakPolarHBondContact OD1-CE2 3.39Å; F178-I189 HydrophobicContact CB-CD1 4.24Å; F178-I189 HydrophobicContact CD1-CD1 4.06Å; F178-I189 HydrophobicContact CD1-CG1 4.5Å; F178-D191 HydrophobicContact CE1-CB 4.34Å; F178-D191 WeakPolarHBondContact CE1-OD1 3.47Å; F178-D191 WeakPolarHBondContact CZ-OD1 3.41Å; F178-H208 HydrophobicContact CD1-CB 4.16Å; F178-H208 HydrophobicContact CE1-CB 3.84Å; F178-F226 HydrophobicContact CB-CE2 3.91Å; F178-F226 HydrophobicContact CB-CZ 4.31Å; F178-F226 HydrophobicContact CG-CE2 4.12Å; F178-R228 HydrophobicContact CE1-CB 4.36Å; F178-R228 VanDerWaalsContact CE2-NH1 3.34Å; F178-R228 HydrophobicContact CZ-CB 3.98Å; F178-R228 HydrophobicContact CZ-CG 4.39Å
179	V	88.7	Confident	80.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.9	179.5	176.8	0	0	0	0	111.3	W161 S162 V177 K181 I189 A190 M192 F200 I263	W161-V179 HydrophobicContact CB-CG1 3.76Å; W161-V179 HydrophobicContact CD2-CG1 3.91Å; W161-V179 HydrophobicContact CE3-CB 4.45Å; W161-V179 HydrophobicContact CE3-CG1 3.56Å; W161-V179 HydrophobicContact CE3-CG2 4.17Å; W161-V179 HydrophobicContact CG-CG1 4.01Å; W161-V179 HydrophobicContact CZ3-CG1 4.42Å; W161-V179 HydrophobicContact CZ3-CG2 4.23Å; S162-V179 CarbonylContact O-C 3.54Å; S162-V179 WeakPolarHBondContact O-CA 3.34Å; V177-V179 HydrophobicContact CG1-CG2 3.85Å; V179-K181 HydrophobicContact CG1-CG 4.02Å; V179-I189 CarbonylContact O-C 3.57Å; V179-I189 VanDerWaalsContact O-CA 3.27Å; V179-I189 WeakPolarHBondContact O-CA 3.39Å; V179-A190 PolarHBondContact N-O 3.12Å; V179-A190 PolarHBondContact O-N 2.87Å; V179-M192 HydrophobicContact CB-SD 4.07Å; V179-M192 HydrophobicContact CG2-CG 4.23Å; V179-M192 HydrophobicContact CG2-SD 3.62Å; V179-F200 HydrophobicContact CG2-CD1 4.49Å; V179-I263 HydrophobicContact CB-CD1 4.19Å; V179-I263 HydrophobicContact CG1-CD1 3.68Å; V179-I263 HydrophobicContact CG1-CG1 4.44Å; V179-I263 HydrophobicContact CG2-CD1 4.3Å
180	V	88.5	Confident	80.8	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.3	170.4	-178.6	0	0	0	0	109	L152 W161 S162 I187 L222 A224 F226	L152-V180 HydrophobicContact CD2-CB 4.06Å; L152-V180 HydrophobicContact CD2-CG2 3.77Å; W161-V180 CarbonylContact C-O 3.54Å; W161-V180 WeakPolarHBondContact CA-O 3.42Å; W161-V180 WeakPolarHBondContact CB-O 3.22Å; S162-V180 PolarHBondContact N-O 3.03Å; S162-V180 PolarHBondContact O-N 3.32Å; V180-I187 HydrophobicContact CG1-CG2 3.83Å; V180-L222 HydrophobicContact CG1-CD1 4.2Å; V180-L222 HydrophobicContact CG1-CD2 3.98Å; V180-L222 HydrophobicContact CG1-CG 4.28Å; V180-A224 HydrophobicContact CB-CB 4.3Å; V180-A224 HydrophobicContact CG1-CB 3.48Å; V180-A224 VanDerWaalsContact CG1-CB 3.48Å; V180-A224 HydrophobicContact CG2-CB 3.86Å; V180-F226 HydrophobicContact CG2-CD1 4.18Å; V180-F226 HydrophobicContact CG2-CE1 3.9Å
181	K	87.5	Confident	81.1	Confident	40 Å²	40	35.6 Å²	35.6	17%	0.174	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.8	178.9	-60.2	171.5	-177.4	171.7	0	110	W161 V179 I187 S188 I257	W161-K181 HydrophobicContact CB-CG 4.35Å; V179-K181 HydrophobicContact CG1-CG 4.02Å; K181-I187 VanDerWaalsContact O-CA 3.28Å; K181-I187 WeakPolarHBondContact O-CA 3.34Å; K181-S188 PolarHBondContact N-O 3.38Å; K181-S188 PolarHBondContact O-N 2.93Å; K181-I257 HydrophobicContact CB-CD1 3.68Å; K181-I257 HydrophobicContact CG-CD1 4.17Å
182	S	87.3	Confident	81.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.5	166.1	176.8	0	0	0	0	110.1	N159 S160 Q186 H217	N159-S182 CarbonylContact C-O 3.53Å; N159-S182 WeakPolarHBondContact CA-O 3.4Å; N159-S182 PolarHBondContact N-O 3.03Å; S160-S182 PolarHBondContact N-O 3.42Å; S160-S182 PolarHBondContact O-N 3.41Å; S182-Q186 WeakPolarHBondContact CA-O 3.18Å; S182-H217 VanDerWaalsContact CB-ND1 3.27Å; S182-H217 WeakPolarHBondContact CB-ND1 2.98Å; S182-H217 WeakPolarHBondContact OG-CB 3.31Å; S182-H217 PolarHBondContact OG-ND1 2.85Å
183	L	83.6	Confident	82.6	Confident	79 Å²	79	34 Å²	34	41%	0.414	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106	178.1	-173.9	67.6	0	0	0	109.3	N185 Q186 I257	L183-N185 PolarHBondContact O-N 2.92Å; L183-Q186 PolarHBondContact N-O 3.43Å; L183-Q186 PolarHBondContact O-N 3.44Å; L183-I257 HydrophobicContact CD1-CG2 4.13Å
184	G	75.7	Confident	83	Confident	31 Å²	31	30.3 Å²	30.3	32%	0.32	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-124.7	-167.3	0	0	0	0	0	111.5	N159	N159-G184 PolarHBondContact OD1-N 3.28Å
185	N	66	Low	83	Confident	157 Å²	157	29.7 Å²	29.7	84%	0.84	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	4.7	176.9	-65.5	6.5	0	0	0	113.1	L183	L183-N185 PolarHBondContact O-N 2.92Å
186	Q	73.4	Confident	82.2	Confident	128 Å²	128	37 Å²	37	60%	0.598	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.1	179.4	-70.2	-172.5	-36.4	0	0	110.2	S182 L183	S182-Q186 WeakPolarHBondContact CA-O 3.18Å; L183-Q186 PolarHBondContact N-O 3.43Å; L183-Q186 PolarHBondContact O-N 3.44Å
187	I	78.9	Confident	81.2	Confident	32 Å²	32	44 Å²	44	16%	0.164	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.9	170.6	-63.9	168	0	0	0	107.5	V180 K181 V213 H217 L222	V180-I187 HydrophobicContact CG1-CG2 3.83Å; K181-I187 VanDerWaalsContact O-CA 3.28Å; K181-I187 WeakPolarHBondContact O-CA 3.34Å; I187-V213 HydrophobicContact CG2-CB 3.91Å; I187-V213 HydrophobicContact CG2-CG1 3.52Å; I187-V213 HydrophobicContact CG2-CG2 4.44Å; I187-H217 HydrophobicContact CD1-CB 4.29Å; I187-L222 HydrophobicContact CD1-CD1 3.71Å; I187-L222 HydrophobicContact CG1-CD1 3.98Å; I187-L222 HydrophobicContact CG2-CD1 4.39Å
188	S	80.6	Confident	80.2	Confident	52 Å²	52	45 Å²	45	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.8	176.8	59.5	0	0	0	0	108.9	K181	K181-S188 PolarHBondContact N-O 3.38Å; K181-S188 PolarHBondContact O-N 2.93Å
189	I	82.1	Confident	79.5	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.087	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.9	171.7	-171.4	164	0	0	0	108.9	F178 V179 H208 V213 F226	F178-I189 HydrophobicContact CB-CD1 4.24Å; F178-I189 HydrophobicContact CD1-CD1 4.06Å; F178-I189 HydrophobicContact CD1-CG1 4.5Å; V179-I189 CarbonylContact O-C 3.57Å; V179-I189 VanDerWaalsContact O-CA 3.27Å; V179-I189 WeakPolarHBondContact O-CA 3.39Å; I189-H208 HydrophobicContact CD1-CB 4.45Å; I189-H208 WeakPolarHBondContact CG2-CD2 3.33Å; I189-H208 WeakPolarHBondContact CG2-NE2 3.31Å; I189-V213 HydrophobicContact CB-CG2 3.36Å; I189-V213 HydrophobicContact CG2-CG2 3.43Å; I189-V213 VanDerWaalsContact CG2-CG2 3.43Å; I189-V213 VanDerWaalsContact N-CG2 3.29Å; I189-F226 HydrophobicContact CD1-CB 3.48Å; I189-F226 VanDerWaalsContact CD1-CB 3.48Å; I189-F226 HydrophobicContact CD1-CD1 3.76Å; I189-F226 HydrophobicContact CD1-CD2 3.41Å; I189-F226 VanDerWaalsContact CD1-CD2 3.41Å; I189-F226 HydrophobicContact CD1-CE1 4.32Å; I189-F226 HydrophobicContact CD1-CE2 4.01Å; I189-F226 HydrophobicContact CD1-CG 3.26Å; I189-F226 HydrophobicContact CD1-CZ 4.43Å
190	A	81.7	Confident	79	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.9	172.6	0	0	0	0	0	108.5	V179 M192 L202	V179-A190 PolarHBondContact N-O 3.12Å; V179-A190 PolarHBondContact O-N 2.87Å; A190-M192 HydrophobicContact CB-CG 4.13Å; A190-M192 HydrophobicContact CB-SD 4.38Å; A190-L202 HydrophobicContact CB-CD1 3.84Å
191	D	83.7	Confident	78.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.6	168	-150.3	-0.5	0	0	0	109.1	F178 L202 D203 Q206 N207	F178-D191 HydrophobicContact CE1-CB 4.34Å; F178-D191 WeakPolarHBondContact CE1-OD1 3.47Å; F178-D191 WeakPolarHBondContact CZ-OD1 3.41Å; D191-L202 WeakPolarHBondContact O-CD1 3.37Å; D191-D203 HydrophobicContact CB-CB 4.33Å; D191-D203 PolarHBondContact O-N 3.19Å; D191-Q206 HydrophobicContact CB-CB 4.48Å; D191-Q206 PolarHBondContact O-NE2 3.32Å; D191-N207 WeakPolarHBondContact OD2-CA 3.49Å; D191-N207 WeakPolarHBondContact OD2-CB 3.46Å; D191-N207 PolarHBondContact OD2-N 2.73Å
192	M	86.7	Confident	78.2	Confident	11 Å²	11	56.3 Å²	56.3	5%	0.054	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156	-170.8	-53.7	-167.9	77.7	0	0	110.2	V177 V179 A190 F200 V201 L202 D203 I263	V177-M192 CarbonylContact C-O 3.43Å; V177-M192 WeakPolarHBondContact CA-O 3.25Å; V177-M192 PolarHBondContact N-O 3.11Å; V177-M192 WeakPolarHBondContact O-CB 3.48Å; V177-M192 PolarHBondContact O-N 3.43Å; V177-M192 VanDerWaalsContact O-O 3.05Å; V179-M192 HydrophobicContact CB-SD 4.07Å; V179-M192 HydrophobicContact CG2-CG 4.23Å; V179-M192 HydrophobicContact CG2-SD 3.62Å; A190-M192 HydrophobicContact CB-CG 4.13Å; A190-M192 HydrophobicContact CB-SD 4.38Å; M192-F200 HydrophobicContact CE-CB 3.59Å; M192-F200 HydrophobicContact SD-CB 4.23Å; M192-V201 CarbonylContact C-O 3.41Å; M192-V201 WeakPolarHBondContact CA-O 3.37Å; M192-V201 WeakPolarHBondContact CB-O 3.27Å; M192-L202 HydrophobicContact CE-CB 4.38Å; M192-L202 HydrophobicContact CG-CD1 4.18Å; M192-D203 WeakPolarHBondContact CA-OD2 3.13Å; M192-D203 PolarHBondContact N-OD2 3.36Å; M192-D203 VanDerWaalsContact N-OD2 3.11Å; M192-I263 HydrophobicContact CE-CD1 3.77Å; M192-I263 HydrophobicContact SD-CD1 3.15Å; M192-I263 WeakPolarHBondContact SD-CD1 3.43Å
193	H	85.6	Confident	77.3	Confident	26 Å²	26	56.7 Å²	56.7	12%	0.12	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	161.3	165.6	70.4	-86.1	0	0	0	112.1	A175 V201 D203 H236	A175-H193 CarbonylContact O-C 3.5Å; A175-H193 WeakPolarHBondContact O-CA 3.42Å; H193-V201 PolarHBondContact N-O 3.02Å; H193-V201 PolarHBondContact O-N 3.18Å; H193-D203 IonicContact CE1-OD1 3.89Å; H193-D203 IonicContact CG-OD1 3.07Å; H193-D203 PolarHBondContact N-OD1 3.11Å; H193-D203 IonicContact ND1-OD1 3.98Å; H193-D203 PolarHBondContact ND1-OD1 2.9Å; H193-H236 HydrophobicContact CB-CB 3.96Å; H193-H236 AromaticContact CD2-ND1 3.96Å
194	V	82.5	Confident	76.2	Confident	13 Å²	13	60.1 Å²	60.1	8%	0.079	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.4	171.7	-178.3	0	0	0	0	108.9	G174 A175 V177 N199 F200	G174-V194 WeakPolarHBondContact CA-O 3.26Å; A175-V194 HydrophobicContact CB-CB 4.32Å; A175-V194 HydrophobicContact CB-CG2 4.07Å; A175-V194 PolarHBondContact O-N 2.87Å; V177-V194 HydrophobicContact CG2-CG2 3.79Å; V194-N199 WeakPolarHBondContact CA-O 3.29Å; V194-F200 HydrophobicContact CG2-CD1 4.42Å; V194-F200 HydrophobicContact CG2-CE1 4.26Å
195	D	77.4	Confident	75.5	Confident	34 Å²	34	61 Å²	61	18%	0.182	32%	0.318	C	S	.	.			trans	-70.8	177.5	178.1	75	10.3	0	0	0	113	Y197 G198 N199 V201	D195-Y197 PolarHBondContact O-N 2.78Å; D195-Y197 VanDerWaalsContact O-N 3.12Å; D195-Y197 VanDerWaalsContact OD1-C 3.22Å; D195-Y197 VanDerWaalsContact OD1-CA 3.27Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.42Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.4Å; D195-Y197 PolarHBondContact OD1-N 2.88Å; D195-G198 PolarHBondContact O-N 2.9Å; D195-G198 PolarHBondContact OD1-N 2.8Å; D195-N199 PolarHBondContact N-O 2.82Å; D195-N199 PolarHBondContact OD1-N 2.87Å; D195-N199 PolarHBondContact OD1-ND2 2.86Å; D195-N199 WeakPolarHBondContact OD2-CB 3.48Å; D195-N199 PolarHBondContact OD2-ND2 2.85Å; D195-V201 HydrophobicContact CB-CG2 3.97Å
196	E	70.4	Confident	75.6	Confident	152 Å²	152	56.5 Å²	56.5	71%	0.71	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.6	178.4	65	-177.8	178	0	0	114.2
197	Y	67.4	Low	74.8	Confident	150 Å²	150	51.8 Å²	51.8	59%	0.588	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	2.7	177.8	-53.1	-76.6	0	0	0	112.6	L105 D195	L105-Y197 WeakPolarHBondContact CD1-O 3.5Å; D195-Y197 PolarHBondContact O-N 2.78Å; D195-Y197 VanDerWaalsContact O-N 3.12Å; D195-Y197 VanDerWaalsContact OD1-C 3.22Å; D195-Y197 VanDerWaalsContact OD1-CA 3.27Å; D195-Y197 WeakPolarHBondContact OD1-CA 3.42Å; D195-Y197 WeakPolarHBondContact OD1-CB 3.4Å; D195-Y197 PolarHBondContact OD1-N 2.88Å
198	G	68.5	Low	73.7	Confident	21 Å²	21	51.2 Å²	51.2	22%	0.216	27%	0.268	C	S	.	.	S	Bend	trans	80.5	13	180	0	0	0	0	0	115.1	D195	D195-G198 PolarHBondContact O-N 2.9Å; D195-G198 PolarHBondContact OD1-N 2.8Å
199	N	73.7	Confident	72.2	Confident	87 Å²	87	52.4 Å²	52.4	47%	0.465	27%	0.27	S	S	.	.			trans	-84.6	142.3	176.6	-51.9	-62.7	0	0	0	111	V194 D195 V201	V194-N199 WeakPolarHBondContact CA-O 3.29Å; D195-N199 PolarHBondContact N-O 2.82Å; D195-N199 PolarHBondContact OD1-N 2.87Å; D195-N199 PolarHBondContact OD1-ND2 2.86Å; D195-N199 WeakPolarHBondContact OD2-CB 3.48Å; D195-N199 PolarHBondContact OD2-ND2 2.85Å; N199-V201 PolarHBondContact O-N 2.77Å
200	F	78.7	Confident	70.5	Confident	44 Å²	44	56 Å²	56	19%	0.193	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118	167.7	-67.1	-89.8	0	0	0	109.6	W161 V177 V179 M192 V194 Y251	W161-F200 HydrophobicContact CH2-CE1 4.09Å; W161-F200 AromaticContact CH2-CE2 3.98Å; W161-F200 HydrophobicContact CH2-CE2 3.98Å; W161-F200 AromaticContact CH2-CZ 3.58Å; W161-F200 HydrophobicContact CH2-CZ 3.58Å; W161-F200 HydrophobicContact CZ2-CE2 4.24Å; W161-F200 HydrophobicContact CZ2-CZ 4.29Å; W161-F200 HydrophobicContact CZ3-CE1 4.49Å; W161-F200 HydrophobicContact CZ3-CZ 4.37Å; V177-F200 HydrophobicContact CB-CE1 4.43Å; V177-F200 HydrophobicContact CG1-CE1 4.04Å; V177-F200 HydrophobicContact CG2-CE1 4.31Å; V179-F200 HydrophobicContact CG2-CD1 4.49Å; M192-F200 HydrophobicContact CE-CB 3.59Å; M192-F200 HydrophobicContact SD-CB 4.23Å; V194-F200 HydrophobicContact CG2-CD1 4.42Å; V194-F200 HydrophobicContact CG2-CE1 4.26Å; F200-Y251 HydrophobicContact CE1-CE1 4.06Å; F200-Y251 HydrophobicContact CE1-CE2 4.35Å; F200-Y251 AromaticContact CE1-CZ 3.73Å; F200-Y251 HydrophobicContact CZ-CD1 4.27Å; F200-Y251 AromaticContact CZ-CE1 3.49Å; F200-Y251 HydrophobicContact CZ-CE1 3.49Å; F200-Y251 VanDerWaalsContact CZ-CE1 3.49Å; F200-Y251 AromaticContact CZ-CZ 3.64Å
201	V	80.3	Confident	68.8	Low	52 Å²	52	64.3 Å²	64.3	32%	0.315	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.8	177.5	-178.2	0	0	0	0	107.2	M192 H193 D195 N199 D203	M192-V201 CarbonylContact C-O 3.41Å; M192-V201 WeakPolarHBondContact CA-O 3.37Å; M192-V201 WeakPolarHBondContact CB-O 3.27Å; H193-V201 PolarHBondContact N-O 3.02Å; H193-V201 PolarHBondContact O-N 3.18Å; D195-V201 HydrophobicContact CB-CG2 3.97Å; N199-V201 PolarHBondContact O-N 2.77Å; V201-D203 PolarHBondContact O-N 2.87Å
202	L	77.4	Confident	67	Low	94 Å²	94	68.7 Å²	68.7	49%	0.492	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.8	176.7	-172.5	76.2	0	0	0	109.2	A190 D191 M192	A190-L202 HydrophobicContact CB-CD1 3.84Å; D191-L202 WeakPolarHBondContact O-CD1 3.37Å; M192-L202 HydrophobicContact CE-CB 4.38Å; M192-L202 HydrophobicContact CG-CD1 4.18Å
203	D	69.6	Low	65.4	Low	7 Å²	7	68.7 Å²	68.7	4%	0.037	35%	0.354	C	S	.	.			trans	-70.9	138.9	177	-68.9	-26.2	0	0	0	111	D191 M192 H193 V201 S205 Q206	D191-D203 HydrophobicContact CB-CB 4.33Å; D191-D203 PolarHBondContact O-N 3.19Å; M192-D203 WeakPolarHBondContact CA-OD2 3.13Å; M192-D203 PolarHBondContact N-OD2 3.36Å; M192-D203 VanDerWaalsContact N-OD2 3.11Å; H193-D203 IonicContact CE1-OD1 3.89Å; H193-D203 IonicContact CG-OD1 3.07Å; H193-D203 PolarHBondContact N-OD1 3.11Å; H193-D203 IonicContact ND1-OD1 3.98Å; H193-D203 PolarHBondContact ND1-OD1 2.9Å; V201-D203 PolarHBondContact O-N 2.87Å; D203-S205 CarbonylContact C-O 3.52Å; D203-S205 WeakPolarHBondContact CB-O 3.39Å; D203-S205 PolarHBondContact O-N 2.81Å; D203-Q206 PolarHBondContact O-NE2 2.87Å
204	D	59.9	Low	64.1	Low	151 Å²	151	67.9 Å²	67.9	81%	0.807	35%	0.352	S	S	*	.	S	Bend	trans	-64.4	-25.2	-178.4	-80.2	-34.1	0	0	0	111.8
205	S	61.1	Low	63.2	Low	50 Å²	50	67.7 Å²	67.7	35%	0.35	35%	0.352	S	S	.	.	S	Bend	trans	-123.7	152.2	166.5	160.1	0	0	0	0	109.6	D203 N207 E234	D203-S205 CarbonylContact C-O 3.52Å; D203-S205 WeakPolarHBondContact CB-O 3.39Å; D203-S205 PolarHBondContact O-N 2.81Å; S205-N207 PolarHBondContact OG-OD1 3.02Å; S205-E234 VanDerWaalsContact CB-CD 3.46Å; S205-E234 WeakPolarHBondContact CB-OE1 3.18Å; S205-E234 PolarHBondContact OG-OE1 2.61Å
206	Q	68.8	Low	63.1	Low	62 Å²	62	66.5 Å²	66.5	29%	0.29	35%	0.346	S	S	.	.			trans	-118.1	90.4	-166.2	-69.2	-70.1	-64.2	0	0	105.2	D191 D203 H208	D191-Q206 HydrophobicContact CB-CB 4.48Å; D191-Q206 PolarHBondContact O-NE2 3.32Å; D203-Q206 PolarHBondContact O-NE2 2.87Å; Q206-H208 PolarHBondContact O-N 2.71Å; Q206-H208 PolarHBondContact OE1-CE1 3.14Å; Q206-H208 VanDerWaalsContact OE1-CE1 3.32Å
207	N	55.8	Low	63.4	Low	30 Å²	30	61.2 Å²	61.2	16%	0.16	32%	0.321	C	S	.	.			trans	-87.1	11.8	-167.7	-70.5	-20	0	0	0	113.8	D191 S205 P229 T232 E234 D237	D191-N207 WeakPolarHBondContact OD2-CA 3.49Å; D191-N207 WeakPolarHBondContact OD2-CB 3.46Å; D191-N207 PolarHBondContact OD2-N 2.73Å; S205-N207 PolarHBondContact OG-OD1 3.02Å; N207-P229 VanDerWaalsContact O-CD 3.23Å; N207-P229 WeakPolarHBondContact O-CD 3.15Å; N207-T232 HydrophobicContact CB-CG2 3.73Å; N207-T232 WeakPolarHBondContact ND2-CB 3.36Å; N207-E234 PolarHBondContact ND2-OE1 2.76Å; N207-E234 PolarHBondContact OD1-OE1 3.41Å; N207-D237 PolarHBondContact ND2-OD2 3.48Å
208	H	55.6	Low	63.6	Low	20 Å²	20	55.1 Å²	55.1	9%	0.093	30%	0.301	C	S	.	.	S	Bend	trans	-74.5	135.4	161.5	60.5	-89.4	0	0	0	110.5	F178 I189 Q206 S227	F178-H208 HydrophobicContact CD1-CB 4.16Å; F178-H208 HydrophobicContact CE1-CB 3.84Å; I189-H208 HydrophobicContact CD1-CB 4.45Å; I189-H208 WeakPolarHBondContact CG2-CD2 3.33Å; I189-H208 WeakPolarHBondContact CG2-NE2 3.31Å; Q206-H208 PolarHBondContact O-N 2.71Å; Q206-H208 PolarHBondContact OE1-CE1 3.14Å; Q206-H208 VanDerWaalsContact OE1-CE1 3.32Å; H208-S227 CarbonylContact C-O 3.53Å; H208-S227 WeakPolarHBondContact CA-O 3.36Å
209	L	48.3	Very low	63.6	Low	77 Å²	77	61.7 Å²	61.7	40%	0.403	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.3	173.1	-75.8	152.9	0	0	0	109.9	L147 S227	L147-L209 HydrophobicContact CD1-CD1 3.59Å; L147-L209 HydrophobicContact CD2-CD1 3.07Å; L147-L209 HydrophobicContact CG-CD1 3.92Å; L209-S227 PolarHBondContact N-O 3.44Å
210	N	47.4	Very low	63.9	Low	91 Å²	91	59.1 Å²	59.1	49%	0.487	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	113.8	-169.3	-63.4	-39.7	0	0	0	115.1	T212 R421	N210-T212 PolarHBondContact O-N 3.05Å; N210-R421 PolarHBondContact ND2-NH1 2.92Å
211	H	46.3	Very low	63.9	Low	179 Å²	179	58.8 Å²	58.8	83%	0.829	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	-3.7	166.8	-72.1	-89.8	0	0	0	113.9
212	T	45.5	Very low	64.1	Low	92 Å²	92	56.3 Å²	56.3	56%	0.564	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	98	-176.2	-11.7	0	0	0	0	108.7	N210 V214	N210-T212 PolarHBondContact O-N 3.05Å; T212-V214 PolarHBondContact O-N 3.48Å
213	V	53.8	Low	64	Low	10 Å²	10	53.1 Å²	53.1	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	121.8	162.1	-179.2	0	0	0	0	107.4	I187 I189 G215 A224	I187-V213 HydrophobicContact CG2-CB 3.91Å; I187-V213 HydrophobicContact CG2-CG1 3.52Å; I187-V213 HydrophobicContact CG2-CG2 4.44Å; I189-V213 HydrophobicContact CB-CG2 3.36Å; I189-V213 HydrophobicContact CG2-CG2 3.43Å; I189-V213 VanDerWaalsContact CG2-CG2 3.43Å; I189-V213 VanDerWaalsContact N-CG2 3.29Å; V213-G215 PolarHBondContact O-N 3.37Å; V213-A224 HydrophobicContact CG1-CB 3.45Å; V213-A224 VanDerWaalsContact CG1-CB 3.45Å
214	V	57.6	Low	64.4	Low	10 Å²	10	53 Å²	53	6%	0.061	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.3	166.3	176.2	0	0	0	0	105.8	T212 A224 A225 T1079	T212-V214 PolarHBondContact O-N 3.48Å; V214-A224 CarbonylContact O-C 3.56Å; V214-A224 WeakPolarHBondContact O-CA 3.41Å; V214-A225 PolarHBondContact N-O 3.21Å; V214-A225 PolarHBondContact O-N 3.04Å; V214-T1079 HydrophobicContact CG2-CG2 4Å
215	G	64.4	Low	64.9	Low	8 Å²	8	46.1 Å²	46.1	8%	0.082	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	165.6	-171.7	0	0	0	0	0	112.9	V213 R223	V213-G215 PolarHBondContact O-N 3.37Å; G215-R223 CarbonylContact C-O 3.51Å; G215-R223 WeakPolarHBondContact CA-O 3.2Å
216	S	73.7	Confident	65.6	Low	10 Å²	10	44.1 Å²	44.1	7%	0.07	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.6	172.6	61.2	0	0	0	0	109.9	R223	S216-R223 PolarHBondContact N-O 2.98Å; S216-R223 PolarHBondContact O-N 2.91Å
217	H	76.7	Confident	66	Low	40 Å²	40	41.5 Å²	41.5	19%	0.185	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	99.2	168.7	-166.8	166.4	0	0	0	107.4	L156 P157 S182 I187 I221 L222	L156-H217 PolarHBondContact O-CE1 2.76Å; L156-H217 PolarHBondContact O-NE2 3.03Å; P157-H217 PolarHBondContact O-CE1 3.07Å; P157-H217 VanDerWaalsContact O-CE1 3.28Å; S182-H217 VanDerWaalsContact CB-ND1 3.27Å; S182-H217 WeakPolarHBondContact CB-ND1 2.98Å; S182-H217 WeakPolarHBondContact OG-CB 3.31Å; S182-H217 PolarHBondContact OG-ND1 2.85Å; I187-H217 HydrophobicContact CD1-CB 4.29Å; H217-I221 WeakPolarHBondContact CA-O 3.36Å; H217-I221 PolarHBondContact CD2-O 2.95Å; H217-L222 HydrophobicContact CB-CD1 4.14Å
218	S	72.8	Confident	67.1	Low	22 Å²	22	40.1 Å²	40.1	15%	0.154	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.1	-176	51.2	0	0	0	0	109.4	G220 I221	S218-G220 PolarHBondContact O-N 3.38Å; S218-G220 VanDerWaalsContact O-N 3.1Å; S218-I221 PolarHBondContact N-O 2.91Å; S218-I221 VanDerWaalsContact N-O 3.1Å; S218-I221 PolarHBondContact O-N 2.74Å
219	D	69	Low	68.2	Low	159 Å²	159	40.6 Å²	40.6	85%	0.85	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	31.3	179.7	-56.5	-34.9	0	0	0	114.7	I221	D219-I221 PolarHBondContact O-N 2.81Å
220	G	79.2	Confident	69.5	Low	34 Å²	34	38 Å²	38	35%	0.351	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	16.9	-176.9	0	0	0	0	0	114.1	Q155 L156 S218	Q155-G220 CarbonylContact C-O 3.57Å; Q155-G220 VanDerWaalsContact CA-O 3.27Å; Q155-G220 WeakPolarHBondContact CA-O 3.34Å; L156-G220 PolarHBondContact N-O 2.88Å; L156-G220 CarbonylContact O-C 3.47Å; L156-G220 WeakPolarHBondContact O-CA 3.36Å; S218-G220 PolarHBondContact O-N 3.38Å; S218-G220 VanDerWaalsContact O-N 3.1Å
221	I	78.8	Confident	70.5	Confident	37 Å²	37	37 Å²	37	19%	0.19	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.5	176.9	-51.6	176.7	0	0	0	108.9	E153 T154 Q155 H217 S218 D219 R223	E153-I221 HydrophobicContact CG-CG2 3.65Å; T154-I221 CarbonylContact O-C 3.53Å; T154-I221 WeakPolarHBondContact O-CA 3.42Å; Q155-I221 HydrophobicContact CG-CG1 4.33Å; H217-I221 WeakPolarHBondContact CA-O 3.36Å; H217-I221 PolarHBondContact CD2-O 2.95Å; S218-I221 PolarHBondContact N-O 2.91Å; S218-I221 VanDerWaalsContact N-O 3.1Å; S218-I221 PolarHBondContact O-N 2.74Å; D219-I221 PolarHBondContact O-N 2.81Å; I221-R223 HydrophobicContact CG2-CG 4.16Å
222	L	83.5	Confident	71.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125	170.9	173.2	60.2	0	0	0	109.4	E153 T154 L156 V180 I187 H217	E153-L222 CarbonylContact C-O 3.51Å; E153-L222 WeakPolarHBondContact CA-O 3.5Å; T154-L222 HydrophobicContact CG2-CB 3.85Å; T154-L222 HydrophobicContact CG2-CD2 4.1Å; T154-L222 HydrophobicContact CG2-CG 4.2Å; T154-L222 PolarHBondContact N-O 3.42Å; T154-L222 PolarHBondContact O-N 2.89Å; L156-L222 HydrophobicContact CD1-CD2 4.27Å; V180-L222 HydrophobicContact CG1-CD1 4.2Å; V180-L222 HydrophobicContact CG1-CD2 3.98Å; V180-L222 HydrophobicContact CG1-CG 4.28Å; I187-L222 HydrophobicContact CD1-CD1 3.71Å; I187-L222 HydrophobicContact CG1-CD1 3.98Å; I187-L222 HydrophobicContact CG2-CD1 4.39Å; H217-L222 HydrophobicContact CB-CD1 4.14Å
223	R	77.2	Confident	71.8	Confident	26 Å²	26	28.2 Å²	28.2	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.9	175.5	-61.3	-178.2	-176.2	91.6	5.9	110.1	L152 E153 G215 S216 I221 H385	L152-R223 CarbonylContact O-C 3.54Å; L152-R223 VanDerWaalsContact O-CA 3.24Å; L152-R223 WeakPolarHBondContact O-CA 3.39Å; E153-R223 HydrophobicContact CB-CG 4.44Å; E153-R223 HydrophobicContact CG-CG 4.28Å; E153-R223 IonicContact OE2-CZ 2.74Å; E153-R223 IonicContact OE2-NE 2.61Å; E153-R223 PolarHBondContact OE2-NE 3.39Å; E153-R223 IonicContact OE2-NH2 3.94Å; G215-R223 CarbonylContact C-O 3.51Å; G215-R223 WeakPolarHBondContact CA-O 3.2Å; S216-R223 PolarHBondContact N-O 2.98Å; S216-R223 PolarHBondContact O-N 2.91Å; I221-R223 HydrophobicContact CG2-CG 4.16Å; R223-H385 PolarHBondContact NE-CD2 2.86Å; R223-H385 VanDerWaalsContact NE-CD2 3.3Å; R223-H385 PolarHBondContact NE-NE2 2.76Å; R223-H385 PolarHBondContact NH2-CE1 2.76Å; R223-H385 PolarHBondContact NH2-NE2 3.4Å
224	A	77.2	Confident	72.2	Confident	4 Å²	4	29 Å²	29	3%	0.033	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	136.8	178.2	0	0	0	0	0	111.6	L152 V180 V213 V214	L152-A224 PolarHBondContact N-O 2.92Å; L152-A224 PolarHBondContact O-N 2.92Å; V180-A224 HydrophobicContact CB-CB 4.3Å; V180-A224 HydrophobicContact CG1-CB 3.48Å; V180-A224 VanDerWaalsContact CG1-CB 3.48Å; V180-A224 HydrophobicContact CG2-CB 3.86Å; V213-A224 HydrophobicContact CG1-CB 3.45Å; V213-A224 VanDerWaalsContact CG1-CB 3.45Å; V214-A224 CarbonylContact O-C 3.56Å; V214-A224 WeakPolarHBondContact O-CA 3.41Å
225	A	71	Confident	72.4	Confident	8 Å²	8	35 Å²	35	7%	0.066	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.6	168.1	0	0	0	0	0	109.9	F150 V214 Y382	F150-A225 VanDerWaalsContact O-CA 3.26Å; F150-A225 WeakPolarHBondContact O-CA 3.44Å; V214-A225 PolarHBondContact N-O 3.21Å; V214-A225 PolarHBondContact O-N 3.04Å; A225-Y382 HydrophobicContact CB-CD1 4.08Å; A225-Y382 HydrophobicContact CB-CE1 3.92Å
226	F	75.4	Confident	72.7	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	157.3	-177.1	58.2	-88	0	0	0	110.2	F150 L152 V164 F178 V180 I189	F150-F226 WeakPolarHBondContact CA-O 3.46Å; F150-F226 HydrophobicContact CB-CD1 4.17Å; F150-F226 HydrophobicContact CB-CD2 3.86Å; F150-F226 HydrophobicContact CB-CE1 3.83Å; F150-F226 HydrophobicContact CB-CE2 3.5Å; F150-F226 VanDerWaalsContact CB-CE2 3.5Å; F150-F226 HydrophobicContact CB-CG 4.18Å; F150-F226 HydrophobicContact CB-CZ 3.48Å; F150-F226 VanDerWaalsContact CB-CZ 3.48Å; F150-F226 WeakPolarHBondContact CB-O 3.44Å; F150-F226 HydrophobicContact CD1-CE2 4.37Å; F150-F226 HydrophobicContact CD1-CZ 4.42Å; F150-F226 HydrophobicContact CD2-CD2 4.03Å; F150-F226 AromaticContact CD2-CE2 3.69Å; F150-F226 HydrophobicContact CD2-CE2 3.69Å; F150-F226 HydrophobicContact CD2-CZ 4.44Å; F150-F226 HydrophobicContact CG-CD2 4.17Å; F150-F226 AromaticContact CG-CE2 3.58Å; F150-F226 HydrophobicContact CG-CE2 3.58Å; F150-F226 AromaticContact CG-CZ 3.86Å; F150-F226 HydrophobicContact CG-CZ 3.86Å; F150-F226 PolarHBondContact N-O 3.47Å; F150-F226 PolarHBondContact O-N 3.23Å; F150-F226 VanDerWaalsContact O-N 3.12Å; L152-F226 HydrophobicContact CB-CE1 4.32Å; V164-F226 HydrophobicContact CG1-CE2 4.23Å; V164-F226 HydrophobicContact CG1-CZ 3.86Å; F178-F226 HydrophobicContact CB-CE2 3.91Å; F178-F226 HydrophobicContact CB-CZ 4.31Å; F178-F226 HydrophobicContact CG-CE2 4.12Å; V180-F226 HydrophobicContact CG2-CD1 4.18Å; V180-F226 HydrophobicContact CG2-CE1 3.9Å; I189-F226 HydrophobicContact CD1-CB 3.48Å; I189-F226 VanDerWaalsContact CD1-CB 3.48Å; I189-F226 HydrophobicContact CD1-CD1 3.76Å; I189-F226 HydrophobicContact CD1-CD2 3.41Å; I189-F226 VanDerWaalsContact CD1-CD2 3.41Å; I189-F226 HydrophobicContact CD1-CE1 4.32Å; I189-F226 HydrophobicContact CD1-CE2 4.01Å; I189-F226 HydrophobicContact CD1-CG 3.26Å; I189-F226 HydrophobicContact CD1-CZ 4.43Å
227	S	76	Confident	72.9	Confident	7 Å²	7	39.1 Å²	39.1	5%	0.049	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.7	-177.7	-46.5	0	0	0	0	110.9	I148 D149 H208 L209	I148-S227 CarbonylContact O-C 3.56Å; I148-S227 WeakPolarHBondContact O-CA 3.28Å; D149-S227 VanDerWaalsContact OD1-CB 3.29Å; D149-S227 WeakPolarHBondContact OD1-CB 3.41Å; D149-S227 PolarHBondContact OD1-OG 3.44Å; H208-S227 CarbonylContact C-O 3.53Å; H208-S227 WeakPolarHBondContact CA-O 3.36Å; L209-S227 PolarHBondContact N-O 3.44Å
228	R	80.2	Confident	73.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.5	170.8	56.4	171.5	-70.1	169.1	17	109.9	I148 F150 D176 F178 A238	I148-R228 HydrophobicContact CB-CG 4.3Å; I148-R228 HydrophobicContact CD1-CG 4.37Å; I148-R228 PolarHBondContact N-O 3.31Å; I148-R228 PolarHBondContact O-N 2.87Å; F150-R228 HydrophobicContact CD2-CG 4.23Å; F150-R228 HydrophobicContact CE2-CG 3.51Å; F150-R228 HydrophobicContact CZ-CG 4.42Å; D176-R228 IonicContact OD2-CZ 2.73Å; D176-R228 VanDerWaalsContact OD2-CZ 3.28Å; D176-R228 IonicContact OD2-NH1 3.77Å; D176-R228 PolarHBondContact OD2-NH1 2.94Å; D176-R228 IonicContact OD2-NH2 3.44Å; D176-R228 PolarHBondContact OD2-NH2 3.15Å; F178-R228 HydrophobicContact CE1-CB 4.36Å; F178-R228 VanDerWaalsContact CE2-NH1 3.34Å; F178-R228 HydrophobicContact CZ-CB 3.98Å; F178-R228 HydrophobicContact CZ-CG 4.39Å; R228-A238 PolarHBondContact NH2-O 3.24Å
229	P	78	Confident	73.5	Confident	30 Å²	30	38.7 Å²	38.7	20%	0.195	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	157	168.7	31.6	-34.5	0	0	0	110.4	L147 N207 T231 T232	L147-P229 HydrophobicContact CD2-CB 4.2Å; N207-P229 VanDerWaalsContact O-CD 3.23Å; N207-P229 WeakPolarHBondContact O-CD 3.15Å; P229-T231 VanDerWaalsContact C-N 3.3Å; P229-T231 PolarHBondContact O-N 2.85Å; P229-T232 HydrophobicContact CG-CG2 3.86Å
230	R	75.5	Confident	73.7	Confident	22 Å²	22	31.2 Å²	31.2	8%	0.083	17%	0.165	C	C	.	.	S	Bend	trans	-65.2	-33.9	175.4	-83	-175	69.4	-168.8	16.8	113.5	Y141 I148 T240 D242 I279	Y141-R230 HydrophobicContact CD2-CG 3.62Å; Y141-R230 HydrophobicContact CE2-CG 3.48Å; Y141-R230 VanDerWaalsContact CE2-CG 3.48Å; Y141-R230 HydrophobicContact CG-CG 4.49Å; I148-R230 HydrophobicContact CD1-CG 3.79Å; I148-R230 HydrophobicContact CG1-CG 3.71Å; R230-T240 WeakPolarHBondContact CB-O 3.5Å; R230-T240 PolarHBondContact NE-O 2.98Å; R230-T240 CarbonylContact O-C 3.52Å; R230-T240 WeakPolarHBondContact O-CA 3.44Å; R230-T240 PolarHBondContact O-N 2.92Å; R230-D242 IonicContact CZ-OD1 3.39Å; R230-D242 IonicContact NH1-OD1 3.79Å; R230-D242 PolarHBondContact NH1-OD1 3.27Å; R230-D242 VanDerWaalsContact NH1-OD1 3.11Å; R230-D242 IonicContact NH2-OD1 2.77Å; R230-D242 PolarHBondContact NH2-OD1 2.86Å; R230-I279 VanDerWaalsContact CZ-O 3.29Å; R230-I279 PolarHBondContact NE-O 3.09Å; R230-I279 PolarHBondContact NH2-O 2.75Å
231	T	68	Low	73.3	Confident	72 Å²	72	31.6 Å²	31.6	44%	0.442	16%	0.161	S	C	.	.			trans	-126.3	134.7	179.1	50.3	0	0	0	0	108.4	P229 Q239 T241	P229-T231 VanDerWaalsContact C-N 3.3Å; P229-T231 PolarHBondContact O-N 2.85Å; T231-Q239 VanDerWaalsContact CA-OE1 3.25Å; T231-T241 HydrophobicContact CG2-CG2 3.89Å
232	T	63	Low	73	Confident	14 Å²	14	33.7 Å²	33.7	9%	0.086	17%	0.172	C	C	.	.			trans	-119.7	164.4	174.1	65.4	0	0	0	0	108.1	N207 P229 E234 D237 Q239	N207-T232 HydrophobicContact CB-CG2 3.73Å; N207-T232 WeakPolarHBondContact ND2-CB 3.36Å; P229-T232 HydrophobicContact CG-CG2 3.86Å; T232-E234 PolarHBondContact O-N 3.18Å; T232-D237 VanDerWaalsContact CB-OD2 3.23Å; T232-D237 WeakPolarHBondContact CB-OD2 3.24Å; T232-D237 HydrophobicContact CG2-CB 4.48Å; T232-D237 WeakPolarHBondContact CG2-OD2 3.2Å; T232-D237 WeakPolarHBondContact OG1-CB 3.32Å; T232-D237 VanDerWaalsContact OG1-CG 3.23Å; T232-D237 PolarHBondContact OG1-OD2 2.79Å; T232-Q239 PolarHBondContact O-NE2 3.23Å; T232-Q239 PolarHBondContact O-OE1 3.03Å; T232-Q239 PolarHBondContact OG1-NE2 2.84Å
233	L	56.7	Low	72.4	Confident	72 Å²	72	41.9 Å²	41.9	38%	0.377	21%	0.211	S	C	.	.	S	Bend	trans	-89.2	19.9	176.2	-66.5	173.8	0	0	0	111.7	E74 D606	E74-L233 HydrophobicContact CG-CD1 4.3Å; E74-L233 WeakPolarHBondContact OE1-CD2 3.04Å; L233-D606 WeakPolarHBondContact O-CB 3.4Å; L233-D606 VanDerWaalsContact O-OD1 3.04Å
234	E	62.7	Low	72.5	Confident	25 Å²	25	45.2 Å²	45.2	12%	0.117	23%	0.227	C	C	.	.			trans	-108.8	134.9	-172	-85.1	172.3	-115.8	0	0	115.1	S205 N207 T232 H236 D237 Q239	S205-E234 VanDerWaalsContact CB-CD 3.46Å; S205-E234 WeakPolarHBondContact CB-OE1 3.18Å; S205-E234 PolarHBondContact OG-OE1 2.61Å; N207-E234 PolarHBondContact ND2-OE1 2.76Å; N207-E234 PolarHBondContact OD1-OE1 3.41Å; T232-E234 PolarHBondContact O-N 3.18Å; E234-H236 VanDerWaalsContact C-N 3.31Å; E234-H236 PolarHBondContact O-N 2.92Å; E234-D237 HydrophobicContact CB-CB 4.06Å; E234-D237 VanDerWaalsContact CB-OD1 3.29Å; E234-D237 WeakPolarHBondContact CB-OD1 2.98Å; E234-D237 WeakPolarHBondContact O-CB 3.42Å; E234-D237 PolarHBondContact O-N 3.08Å; E234-Q239 PolarHBondContact O-NE2 2.92Å
235	K	62.3	Low	73	Confident	136 Å²	136	46 Å²	46	59%	0.591	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-35.6	-174.6	-166.2	175.6	170.5	-170.9	0	112.9	D237 A604 D606	K235-D237 VanDerWaalsContact C-N 3.28Å; K235-A604 HydrophobicContact CD-CB 3.74Å; K235-D606 WeakPolarHBondContact CA-OD2 3.28Å; K235-D606 HydrophobicContact CB-CB 4.16Å; K235-D606 WeakPolarHBondContact CB-OD2 3.46Å; K235-D606 PolarHBondContact N-OD2 3.18Å
236	H	70.3	Confident	73.9	Confident	96 Å²	96	46.5 Å²	46.5	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.2	-175.8	-66.8	-69.1	0	0	0	111.8	H193 E234	H193-H236 HydrophobicContact CB-CB 3.96Å; H193-H236 AromaticContact CD2-ND1 3.96Å; E234-H236 VanDerWaalsContact C-N 3.31Å; E234-H236 PolarHBondContact O-N 2.92Å
237	D	78.3	Confident	74.7	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.053	24%	0.24	C	C	.	.	S	Bend	trans	-89.7	151.4	-177.7	-67	26	0	0	0	112.9	N207 T232 E234 K235 Q239	N207-D237 PolarHBondContact ND2-OD2 3.48Å; T232-D237 VanDerWaalsContact CB-OD2 3.23Å; T232-D237 WeakPolarHBondContact CB-OD2 3.24Å; T232-D237 HydrophobicContact CG2-CB 4.48Å; T232-D237 WeakPolarHBondContact CG2-OD2 3.2Å; T232-D237 WeakPolarHBondContact OG1-CB 3.32Å; T232-D237 VanDerWaalsContact OG1-CG 3.23Å; T232-D237 PolarHBondContact OG1-OD2 2.79Å; E234-D237 HydrophobicContact CB-CB 4.06Å; E234-D237 VanDerWaalsContact CB-OD1 3.29Å; E234-D237 WeakPolarHBondContact CB-OD1 2.98Å; E234-D237 WeakPolarHBondContact O-CB 3.42Å; E234-D237 PolarHBondContact O-N 3.08Å; K235-D237 VanDerWaalsContact C-N 3.28Å; D237-Q239 PolarHBondContact O-N 2.85Å
238	A	82.2	Confident	75.4	Confident	2 Å²	2	48.1 Å²	48.1	2%	0.017	24%	0.238	C	C	.	.			trans	-76.5	109.9	172.1	0	0	0	0	0	112.2	F166 D176 R228 T240 Y246	F166-A238 HydrophobicContact CB-CB 3.33Å; F166-A238 HydrophobicContact CG-CB 3.99Å; D176-A238 HydrophobicContact CB-CB 4.03Å; D176-A238 WeakPolarHBondContact OD2-CB 3.42Å; D176-A238 PolarHBondContact OD2-N 2.62Å; R228-A238 PolarHBondContact NH2-O 3.24Å; A238-T240 PolarHBondContact O-N 2.8Å; A238-T240 VanDerWaalsContact O-N 3.08Å; A238-Y246 HydrophobicContact CB-CD1 3.65Å; A238-Y246 HydrophobicContact CB-CD2 4.09Å; A238-Y246 HydrophobicContact CB-CE1 3.43Å; A238-Y246 VanDerWaalsContact CB-CE1 3.43Å; A238-Y246 HydrophobicContact CB-CE2 3.92Å; A238-Y246 HydrophobicContact CB-CG 4Å
239	Q	80	Confident	75.9	Confident	51 Å²	51	48.3 Å²	48.3	24%	0.238	24%	0.239	C	C	.	.			trans	-77	87.2	170.8	-55.1	-54.1	-33	0	0	111.4	T231 T232 E234 D237 T241 H244 Y246	T231-Q239 VanDerWaalsContact CA-OE1 3.25Å; T232-Q239 PolarHBondContact O-NE2 3.23Å; T232-Q239 PolarHBondContact O-OE1 3.03Å; T232-Q239 PolarHBondContact OG1-NE2 2.84Å; E234-Q239 PolarHBondContact O-NE2 2.92Å; D237-Q239 PolarHBondContact O-N 2.85Å; Q239-T241 PolarHBondContact O-N 3.1Å; Q239-H244 WeakPolarHBondContact O-CB 3.26Å; Q239-Y246 PolarHBondContact N-OH 3.08Å; Q239-Y246 VanDerWaalsContact O-CE2 3.28Å; Q239-Y246 WeakPolarHBondContact O-CE2 3.39Å; Q239-Y246 PolarHBondContact O-OH 3.19Å; Q239-Y246 VanDerWaalsContact O-OH 3.09Å
240	T	71.7	Confident	76.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	23%	0.229	C	C	.	.			trans	-86	89	-174.9	-54.9	0	0	0	0	111.7	R230 A238 I279	R230-T240 WeakPolarHBondContact CB-O 3.5Å; R230-T240 PolarHBondContact NE-O 2.98Å; R230-T240 CarbonylContact O-C 3.52Å; R230-T240 WeakPolarHBondContact O-CA 3.44Å; R230-T240 PolarHBondContact O-N 2.92Å; A238-T240 PolarHBondContact O-N 2.8Å; A238-T240 VanDerWaalsContact O-N 3.08Å; T240-I279 HydrophobicContact CG2-CB 3.81Å; T240-I279 HydrophobicContact CG2-CD1 4.34Å; T240-I279 HydrophobicContact CG2-CG1 4.13Å
241	T	71.4	Confident	77.3	Confident	42 Å²	42	46.5 Å²	46.5	26%	0.258	23%	0.228	S	C	.	.			trans	-101.3	177.8	174.6	84.7	0	0	0	0	112.3	T231 Q239 Q243 H244	T231-T241 HydrophobicContact CG2-CG2 3.89Å; Q239-T241 PolarHBondContact O-N 3.1Å; T241-Q243 PolarHBondContact O-N 3.42Å; T241-Q243 PolarHBondContact OG1-N 2.9Å; T241-H244 PolarHBondContact O-N 2.87Å; T241-H244 PolarHBondContact OG1-N 2.85Å; T241-H244 PolarHBondContact OG1-ND1 2.99Å
242	D	71.4	Confident	78.3	Confident	81 Å²	81	43.3 Å²	43.3	43%	0.433	21%	0.208	S	C	.	.	S	Bend	trans	-57.2	-22.9	178.8	-67.4	9.4	0	0	0	113.2	R230 K280 P281	R230-D242 IonicContact CZ-OD1 3.39Å; R230-D242 IonicContact NH1-OD1 3.79Å; R230-D242 PolarHBondContact NH1-OD1 3.27Å; R230-D242 VanDerWaalsContact NH1-OD1 3.11Å; R230-D242 IonicContact NH2-OD1 2.77Å; R230-D242 PolarHBondContact NH2-OD1 2.86Å; D242-K280 WeakPolarHBondContact O-CE 3.17Å; D242-P281 WeakPolarHBondContact OD1-CD 3.39Å
243	Q	71.5	Confident	79.4	Confident	172 Å²	172	44.8 Å²	44.8	80%	0.804	21%	0.214	S	C	*	.	S	Bend	trans	-112.7	-19.7	-177.4	-60.4	-172.4	-7	0	0	113.3	T241	T241-Q243 PolarHBondContact O-N 3.42Å; T241-Q243 PolarHBondContact OG1-N 2.9Å
244	H	79.5	Confident	80.8	Confident	97 Å²	97	41.4 Å²	41.4	45%	0.449	20%	0.197	S	C	.	.			trans	-99.9	98.8	-178.8	-66.5	94.9	0	0	0	110.2	Q239 T241 Y246	Q239-H244 WeakPolarHBondContact O-CB 3.26Å; T241-H244 PolarHBondContact O-N 2.87Å; T241-H244 PolarHBondContact OG1-N 2.85Å; T241-H244 PolarHBondContact OG1-ND1 2.99Å; H244-Y246 HydrophobicContact CB-CE2 4.32Å
245	C	87.8	Confident	81.9	Confident	20 Å²	20	40.4 Å²	40.4	14%	0.135	19%	0.193	C	C	.	.			trans	-103.2	150.1	-178.5	-43.6	0	0	0	0	110.2	K276 V277 C278	C245-K276 HydrophobicContact CB-CB 3.71Å; C245-K276 WeakPolarHBondContact O-CD 3.29Å; C245-V277 WeakPolarHBondContact CA-O 3.34Å; C245-V277 WeakPolarHBondContact CB-O 3.28Å; C245-C278 HydrophobicContact CB-CB 3.95Å; C245-C278 WeakPolarHBondContact CB-SG 3.3Å; C245-C278 WeakPolarHBondContact SG-CB 3.47Å; C245-C278 CovalentContact SG-SG 2.02Å; C245-C278 PolarHBondContact SG-SG 3Å
246	Y	90.6	Very high	83.1	Confident	18 Å²	18	39.3 Å²	39.3	7%	0.071	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-125.4	148.5	-175.2	-67.9	-97.8	0	0	0	110.8	F166 Q168 A238 Q239 H244 M248 K276 V277	F166-Y246 HydrophobicContact CB-CD1 4.15Å; F166-Y246 HydrophobicContact CB-CG 4.13Å; Q168-Y246 HydrophobicContact CG-CD1 4.12Å; Q168-Y246 HydrophobicContact CG-CE1 3.77Å; Q168-Y246 PolarHBondContact NE2-OH 3.06Å; A238-Y246 HydrophobicContact CB-CD1 3.65Å; A238-Y246 HydrophobicContact CB-CD2 4.09Å; A238-Y246 HydrophobicContact CB-CE1 3.43Å; A238-Y246 VanDerWaalsContact CB-CE1 3.43Å; A238-Y246 HydrophobicContact CB-CE2 3.92Å; A238-Y246 HydrophobicContact CB-CG 4Å; Q239-Y246 PolarHBondContact N-OH 3.08Å; Q239-Y246 VanDerWaalsContact O-CE2 3.28Å; Q239-Y246 WeakPolarHBondContact O-CE2 3.39Å; Q239-Y246 PolarHBondContact O-OH 3.19Å; Q239-Y246 VanDerWaalsContact O-OH 3.09Å; H244-Y246 HydrophobicContact CB-CE2 4.32Å; Y246-M248 PolarHBondContact O-N 2.78Å; Y246-K276 CarbonylContact O-C 3.53Å; Y246-K276 WeakPolarHBondContact O-CA 3.44Å; Y246-V277 PolarHBondContact N-O 2.98Å; Y246-V277 PolarHBondContact O-N 3.3Å
247	Y	91	Very high	83.7	Confident	48 Å²	48	35.5 Å²	35.5	19%	0.188	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.7	159.2	-71.2	-76.6	0	0	0	108.2	F166 S167 S169 I272 S273 K276	F166-Y247 WeakPolarHBondContact CA-O 3.25Å; S167-Y247 PolarHBondContact N-O 2.98Å; S167-Y247 WeakPolarHBondContact O-CB 3.19Å; S167-Y247 PolarHBondContact O-N 2.74Å; S169-Y247 VanDerWaalsContact C-CD2 3.45Å; Y247-I272 HydrophobicContact CD1-CG2 4.21Å; Y247-I272 HydrophobicContact CG-CG2 4.33Å; Y247-S273 WeakPolarHBondContact CA-OG 3.39Å; Y247-S273 WeakPolarHBondContact CD1-O 3.38Å; Y247-K276 HydrophobicContact CD1-CG 4.38Å; Y247-K276 HydrophobicContact CD2-CG 3.84Å; Y247-K276 HydrophobicContact CE1-CG 4.23Å; Y247-K276 HydrophobicContact CE2-CD 4.22Å; Y247-K276 VanDerWaalsContact CE2-CE 3.47Å; Y247-K276 HydrophobicContact CE2-CG 3.67Å; Y247-K276 HydrophobicContact CG-CG 4.2Å
248	M	91.8	Very high	83.6	Confident	2 Å²	2	36 Å²	36	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.9	174.3	-67.5	-173.8	75.2	0	0	109.5	L137 W139 F150 V164 G165 F166 Y246 F250 I272 S273 V277	L137-M248 HydrophobicContact CD2-CE 4.02Å; W139-M248 HydrophobicContact CD2-CE 4.21Å; W139-M248 HydrophobicContact CE3-CE 3.84Å; W139-M248 HydrophobicContact CE3-SD 4.41Å; W139-M248 HydrophobicContact CH2-CE 4.01Å; W139-M248 HydrophobicContact CH2-SD 3.59Å; W139-M248 VanDerWaalsContact CH2-SD 3.59Å; W139-M248 HydrophobicContact CZ2-CE 4.38Å; W139-M248 HydrophobicContact CZ2-SD 3.7Å; W139-M248 HydrophobicContact CZ3-CE 3.74Å; W139-M248 HydrophobicContact CZ3-SD 3.97Å; F150-M248 HydrophobicContact CE1-CE 4.25Å; V164-M248 HydrophobicContact CG2-CE 3.7Å; G165-M248 CarbonylContact O-C 3.56Å; G165-M248 VanDerWaalsContact O-CA 3.3Å; G165-M248 WeakPolarHBondContact O-CA 3.13Å; F166-M248 HydrophobicContact CD1-CG 4.34Å; F166-M248 HydrophobicContact CE1-CE 3.9Å; F166-M248 HydrophobicContact CE1-CG 4.3Å; F166-M248 HydrophobicContact CZ-CE 4.12Å; Y246-M248 PolarHBondContact O-N 2.78Å; M248-F250 HydrophobicContact CB-CE1 4Å; M248-F250 HydrophobicContact CB-CE2 3.83Å; M248-F250 HydrophobicContact CB-CZ 3.39Å; M248-F250 HydrophobicContact CE-CE1 4.16Å; M248-F250 HydrophobicContact CE-CZ 4.44Å; M248-F250 HydrophobicContact CG-CZ 4.44Å; M248-F250 WeakPolarHBondContact O-CE2 3.47Å; M248-F250 HydrophobicContact SD-CZ 4.36Å; M248-I272 CarbonylContact O-C 3.42Å; M248-I272 WeakPolarHBondContact O-CA 3.47Å; M248-S273 PolarHBondContact N-OG 3.02Å; M248-S273 PolarHBondContact O-N 2.96Å; M248-V277 HydrophobicContact CG-CB 4.01Å; M248-V277 HydrophobicContact CG-CG2 3.95Å; M248-V277 HydrophobicContact SD-CB 3.86Å; M248-V277 HydrophobicContact SD-CG1 3.82Å; M248-V277 HydrophobicContact SD-CG2 3.88Å
249	I	91.1	Very high	83.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.3	-180	-52.5	-178.7	0	0	0	107.7	V164 G165 A175 Y251 A270 R271 I272	V164-I249 CarbonylContact C-O 3.56Å; V164-I249 VanDerWaalsContact CA-O 3.29Å; V164-I249 WeakPolarHBondContact CA-O 3.46Å; G165-I249 PolarHBondContact N-O 2.99Å; G165-I249 PolarHBondContact O-N 2.72Å; A175-I249 HydrophobicContact CB-CD1 3.4Å; A175-I249 VanDerWaalsContact CB-CD1 3.4Å; I249-Y251 HydrophobicContact CB-CE2 4.43Å; I249-Y251 HydrophobicContact CG2-CD2 4.43Å; I249-Y251 HydrophobicContact CG2-CE1 4.29Å; I249-Y251 HydrophobicContact CG2-CE2 3.81Å; I249-A270 HydrophobicContact CG2-CB 3.43Å; I249-A270 VanDerWaalsContact CG2-CB 3.43Å; I249-R271 CarbonylContact C-O 3.56Å; I249-R271 WeakPolarHBondContact CA-O 3.37Å; I249-I272 HydrophobicContact CG1-CG1 4.3Å; I249-I272 HydrophobicContact CG2-CG1 4.45Å
250	F	91.4	Very high	82.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.3	-175.6	-51.2	-78.6	0	0	0	109.4	A113 V115 M124 Y135 L137 V164 M248 V252 R271	A113-F250 HydrophobicContact CB-CD2 3.67Å; A113-F250 HydrophobicContact CB-CE2 3.7Å; V115-F250 HydrophobicContact CG2-CE2 3.7Å; V115-F250 HydrophobicContact CG2-CZ 3.58Å; M124-F250 HydrophobicContact CB-CD1 3.88Å; M124-F250 HydrophobicContact CB-CE1 3.37Å; M124-F250 HydrophobicContact CB-CE2 4.13Å; M124-F250 HydrophobicContact CB-CG 4.44Å; M124-F250 HydrophobicContact CB-CZ 3.51Å; M124-F250 HydrophobicContact CG-CD1 3.7Å; M124-F250 HydrophobicContact CG-CD2 3.76Å; M124-F250 HydrophobicContact CG-CE1 3.61Å; M124-F250 HydrophobicContact CG-CE2 3.68Å; M124-F250 HydrophobicContact CG-CG 3.76Å; M124-F250 HydrophobicContact CG-CZ 3.6Å; M124-F250 HydrophobicContact SD-CE2 4.34Å; Y135-F250 HydrophobicContact CE1-CB 3.95Å; Y135-F250 AromaticContact CE1-CD1 3.86Å; Y135-F250 HydrophobicContact CE1-CD1 3.86Å; Y135-F250 HydrophobicContact CE1-CG 4.29Å; L137-F250 HydrophobicContact CD2-CD1 4.09Å; L137-F250 HydrophobicContact CD2-CE1 3.83Å; V164-F250 HydrophobicContact CG2-CD1 4.49Å; V164-F250 HydrophobicContact CG2-CE1 4.47Å; M248-F250 HydrophobicContact CB-CE1 4Å; M248-F250 HydrophobicContact CB-CE2 3.83Å; M248-F250 HydrophobicContact CB-CZ 3.39Å; M248-F250 HydrophobicContact CE-CE1 4.16Å; M248-F250 HydrophobicContact CE-CZ 4.44Å; M248-F250 HydrophobicContact CG-CZ 4.44Å; M248-F250 WeakPolarHBondContact O-CE2 3.47Å; M248-F250 HydrophobicContact SD-CZ 4.36Å; F250-V252 HydrophobicContact CB-CG2 4.33Å; F250-V252 PolarHBondContact O-N 3.25Å; F250-R271 HydrophobicContact CB-CB 4.37Å; F250-R271 WeakPolarHBondContact CD2-O 3.36Å; F250-R271 PolarHBondContact N-O 3.46Å; F250-R271 PolarHBondContact O-N 3.05Å
251	Y	91.1	Very high	82.3	Confident	14 Å²	14	49.2 Å²	49.2	6%	0.055	26%	0.261	C	S	.	.			trans	-86.8	65.4	179.4	-64	-82.3	0	0	0	110.5	W161 S162 G163 V177 F200 I249 E253 G254 P266 A270	W161-Y251 AromaticContact CH2-CD1 3.86Å; W161-Y251 HydrophobicContact CH2-CD1 3.86Å; W161-Y251 HydrophobicContact CH2-CE1 4.33Å; W161-Y251 HydrophobicContact CH2-CG 4.16Å; W161-Y251 HydrophobicContact CZ3-CD1 4.04Å; W161-Y251 HydrophobicContact CZ3-CD2 4.35Å; W161-Y251 AromaticContact CZ3-CG 3.85Å; W161-Y251 HydrophobicContact CZ3-CG 3.85Å; S162-Y251 PolarHBondContact OG-O 3.3Å; G163-Y251 WeakPolarHBondContact O-CD2 3.04Å; G163-Y251 PolarHBondContact O-N 2.94Å; G163-Y251 VanDerWaalsContact O-N 3.11Å; V177-Y251 HydrophobicContact CB-CE2 4.46Å; V177-Y251 HydrophobicContact CG1-CD2 4.14Å; V177-Y251 HydrophobicContact CG1-CE2 3.45Å; V177-Y251 VanDerWaalsContact CG1-CE2 3.45Å; V177-Y251 HydrophobicContact CG2-CE2 4.12Å; F200-Y251 HydrophobicContact CE1-CE1 4.06Å; F200-Y251 HydrophobicContact CE1-CE2 4.35Å; F200-Y251 AromaticContact CE1-CZ 3.73Å; F200-Y251 HydrophobicContact CZ-CD1 4.27Å; F200-Y251 AromaticContact CZ-CE1 3.49Å; F200-Y251 HydrophobicContact CZ-CE1 3.49Å; F200-Y251 VanDerWaalsContact CZ-CE1 3.49Å; F200-Y251 AromaticContact CZ-CZ 3.64Å; I249-Y251 HydrophobicContact CB-CE2 4.43Å; I249-Y251 HydrophobicContact CG2-CD2 4.43Å; I249-Y251 HydrophobicContact CG2-CE1 4.29Å; I249-Y251 HydrophobicContact CG2-CE2 3.81Å; Y251-E253 PolarHBondContact O-N 2.88Å; Y251-G254 PolarHBondContact O-N 2.78Å; Y251-P266 HydrophobicContact CD1-CB 4.44Å; Y251-P266 HydrophobicContact CD1-CG 4.38Å; Y251-A270 HydrophobicContact CD1-CB 3.77Å; Y251-A270 HydrophobicContact CE1-CB 3.73Å; Y251-A270 HydrophobicContact CG-CB 4.44Å
252	V	89.1	Confident	82.4	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.03	27%	0.271	C	S	.	.	S	Bend	trans	-50.3	-57	-174.7	173.7	0	0	0	0	112.4	W126 R134 Y135 T154 F250 G254 R271	W126-V252 HydrophobicContact CB-CG1 4.14Å; W126-V252 HydrophobicContact CB-CG2 3.94Å; W126-V252 HydrophobicContact CG-CG1 3.82Å; W126-V252 HydrophobicContact CG-CG2 3.94Å; R134-V252 HydrophobicContact CG-CG1 4.34Å; Y135-V252 HydrophobicContact CD1-CG2 4.26Å; Y135-V252 HydrophobicContact CD2-CB 4.47Å; Y135-V252 HydrophobicContact CD2-CG2 4.4Å; Y135-V252 HydrophobicContact CG-CB 4.36Å; Y135-V252 HydrophobicContact CG-CG2 3.98Å; T154-V252 PolarHBondContact OG1-O 2.74Å; F250-V252 HydrophobicContact CB-CG2 4.33Å; F250-V252 PolarHBondContact O-N 3.25Å; V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.18Å; V252-R271 HydrophobicContact CG2-CB 4.44Å; V252-R271 HydrophobicContact CG2-CG 3.8Å
253	E	84.5	Confident	82.6	Confident	45 Å²	45	49.5 Å²	49.5	21%	0.21	26%	0.258	C	S	.	.	S	Bend	trans	-80.2	-13.4	-179.6	-55.9	-53	141.1	0	0	112.7	R134 L156 Y251 E268	R134-E253 WeakPolarHBondContact CD-OE1 3.32Å; R134-E253 IonicContact CZ-OE1 2.69Å; R134-E253 IonicContact NE-OE1 3.09Å; R134-E253 IonicContact NH1-OE1 3.62Å; R134-E253 PolarHBondContact NH1-OE1 3.06Å; R134-E253 IonicContact NH1-OE2 3.53Å; R134-E253 PolarHBondContact NH1-OE2 2.83Å; L156-E253 WeakPolarHBondContact CD2-O 3.39Å; Y251-E253 PolarHBondContact O-N 2.88Å; E253-E268 HydrophobicContact CB-CB 4.23Å; E253-E268 HydrophobicContact CG-CB 3.83Å; E253-E268 HydrophobicContact CG-CG 4.02Å
254	G	86.3	Confident	82.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	24%	0.242	C	C	.	.			trans	58.2	-154.4	-179	0	0	0	0	0	113.2	W161 Y251 V252 P266 A267	W161-G254 CarbonylContact O-C 3.56Å; W161-G254 WeakPolarHBondContact O-CA 3.28Å; Y251-G254 PolarHBondContact O-N 2.78Å; V252-G254 VanDerWaalsContact C-N 3.26Å; V252-G254 PolarHBondContact O-N 3.18Å; G254-P266 CarbonylContact O-C 3.59Å; G254-P266 WeakPolarHBondContact O-CA 3.07Å; G254-P266 WeakPolarHBondContact O-CB 3.1Å; G254-A267 PolarHBondContact O-N 2.95Å
255	G	86.7	Confident	82.5	Confident	4 Å²	4	45.8 Å²	45.8	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	175.8	172.5	0	0	0	0	0	112.6	S160 W161	S160-G255 CarbonylContact C-O 3.59Å; S160-G255 VanDerWaalsContact CA-O 3.23Å; S160-G255 WeakPolarHBondContact CA-O 3.49Å; S160-G255 WeakPolarHBondContact CB-O 3.41Å; W161-G255 PolarHBondContact N-O 2.87Å; W161-G255 VanDerWaalsContact NE1-C 3.32Å; W161-G255 PolarHBondContact O-N 2.81Å
256	H	87.3	Confident	81.7	Confident	113 Å²	113	46.4 Å²	46.4	52%	0.523	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	152.1	178.1	-67.2	-64.8	0	0	0	111.6	M264	H256-M264 HydrophobicContact CB-CB 4.4Å; H256-M264 HydrophobicContact CB-CG 4.38Å; H256-M264 WeakPolarHBondContact O-CB 3.27Å; H256-M264 WeakPolarHBondContact O-CG 3.21Å; H256-M264 PolarHBondContact O-N 3.12Å
257	I	83.6	Confident	80.2	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.087	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.8	170.5	-58.6	175.5	0	0	0	108.1	N159 S160 W161 K181 L183 E262	N159-I257 PolarHBondContact O-N 3.42Å; S160-I257 VanDerWaalsContact O-CD1 3.28Å; S160-I257 WeakPolarHBondContact O-CD1 3.24Å; W161-I257 HydrophobicContact CB-CD1 4.33Å; W161-I257 HydrophobicContact CB-CG1 4.2Å; K181-I257 HydrophobicContact CB-CD1 3.68Å; K181-I257 HydrophobicContact CG-CD1 4.17Å; L183-I257 HydrophobicContact CD1-CG2 4.13Å; I257-E262 CarbonylContact C-O 3.53Å; I257-E262 WeakPolarHBondContact CA-O 3.5Å
258	G	76.6	Confident	79.1	Confident	19 Å²	19	52 Å²	52	20%	0.196	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-63.8	162.5	176.2	0	0	0	0	0	112.3	K260 G261 E262	G258-K260 PolarHBondContact O-N 3.17Å; G258-G261 PolarHBondContact O-N 2.99Å; G258-E262 PolarHBondContact N-O 3.19Å
259	S	70.1	Confident	77.9	Confident	131 Å²	131	53.9 Å²	53.9	92%	0.916	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-18.3	-176.4	59.1	0	0	0	0	116.2
260	K	66.2	Low	77.5	Confident	170 Å²	170	54.7 Å²	54.7	74%	0.739	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	15	176	-46.5	-173.2	-160.6	137.9	0	114.2	G258 E262	G258-K260 PolarHBondContact O-N 3.17Å; K260-E262 VanDerWaalsContact C-N 3.35Å; K260-E262 HydrophobicContact CB-CG 3.75Å; K260-E262 WeakPolarHBondContact CB-OE1 3.38Å; K260-E262 VanDerWaalsContact CD-OE1 3.26Å; K260-E262 WeakPolarHBondContact CD-OE1 3.48Å; K260-E262 WeakPolarHBondContact CG-OE1 3.49Å; K260-E262 IonicContact NZ-OE1 3.51Å; K260-E262 PolarHBondContact NZ-OE1 3.35Å
261	G	68.4	Low	77.2	Confident	31 Å²	31	56.4 Å²	56.4	32%	0.32	32%	0.321	S	S	.	.	S	Bend	trans	82.7	13.2	-175.4	0	0	0	0	0	114.1	G258	G258-G261 PolarHBondContact O-N 2.99Å
262	E	74	Confident	77	Confident	98 Å²	98	56.8 Å²	56.8	46%	0.458	32%	0.324	S	S	.	.			trans	-76.9	130.1	-176.3	-29.1	-159.9	-143	0	0	109	I257 G258 K260 M264	I257-E262 CarbonylContact C-O 3.53Å; I257-E262 WeakPolarHBondContact CA-O 3.5Å; G258-E262 PolarHBondContact N-O 3.19Å; K260-E262 VanDerWaalsContact C-N 3.35Å; K260-E262 HydrophobicContact CB-CG 3.75Å; K260-E262 WeakPolarHBondContact CB-OE1 3.38Å; K260-E262 VanDerWaalsContact CD-OE1 3.26Å; K260-E262 WeakPolarHBondContact CD-OE1 3.48Å; K260-E262 WeakPolarHBondContact CG-OE1 3.49Å; K260-E262 IonicContact NZ-OE1 3.51Å; K260-E262 PolarHBondContact NZ-OE1 3.35Å; E262-M264 PolarHBondContact O-N 3.41Å
263	I	76.9	Confident	77	Confident	32 Å²	32	56.8 Å²	56.8	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	114.4	177	-72.3	169.2	0	0	0	107.7	W161 V179 M192	W161-I263 HydrophobicContact CD2-CG2 3.99Å; W161-I263 VanDerWaalsContact CE2-CG2 3.41Å; W161-I263 HydrophobicContact CG-CG2 4.24Å; W161-I263 HydrophobicContact CZ2-CG2 3.73Å; W161-I263 VanDerWaalsContact NE1-CG2 3.29Å; V179-I263 HydrophobicContact CB-CD1 4.19Å; V179-I263 HydrophobicContact CG1-CD1 3.68Å; V179-I263 HydrophobicContact CG1-CG1 4.44Å; V179-I263 HydrophobicContact CG2-CD1 4.3Å; M192-I263 HydrophobicContact CE-CD1 3.77Å; M192-I263 HydrophobicContact SD-CD1 3.15Å; M192-I263 WeakPolarHBondContact SD-CD1 3.43Å
264	M	77.6	Confident	77	Confident	93 Å²	93	60 Å²	60	46%	0.458	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146.7	171.1	-58.1	-61.8	-62.9	0	0	109.2	W161 H256 E262	W161-M264 WeakPolarHBondContact CZ2-O 3.13Å; W161-M264 PolarHBondContact NE1-O 2.81Å; H256-M264 HydrophobicContact CB-CB 4.4Å; H256-M264 HydrophobicContact CB-CG 4.38Å; H256-M264 WeakPolarHBondContact O-CB 3.27Å; H256-M264 WeakPolarHBondContact O-CG 3.21Å; H256-M264 PolarHBondContact O-N 3.12Å; E262-M264 PolarHBondContact O-N 3.41Å
265	P	69.8	Low	77	Confident	98 Å²	98	65.8 Å²	65.8	64%	0.636	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.1	147.3	173.6	-26.8	34.1	0	0	0	111.8
266	P	71.1	Confident	77.1	Confident	33 Å²	33	69.7 Å²	69.7	21%	0.214	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	146.2	-176.9	26.7	-34.1	0	0	0	111.2	W161 Y251 G254 E268	W161-P266 HydrophobicContact CH2-CB 4.13Å; W161-P266 HydrophobicContact CH2-CG 4.41Å; W161-P266 HydrophobicContact CZ2-CB 4.07Å; W161-P266 HydrophobicContact CZ2-CG 4.47Å; Y251-P266 HydrophobicContact CD1-CB 4.44Å; Y251-P266 HydrophobicContact CD1-CG 4.38Å; G254-P266 CarbonylContact O-C 3.59Å; G254-P266 WeakPolarHBondContact O-CA 3.07Å; G254-P266 WeakPolarHBondContact O-CB 3.1Å; P266-E268 VanDerWaalsContact C-N 3.26Å; P266-E268 PolarHBondContact O-N 3.15Å
267	A	59.8	Low	77.1	Confident	77 Å²	77	64.8 Å²	64.8	64%	0.636	36%	0.364	S	S	*	.	S	Bend	trans	-67	-30.6	-175.3	0	0	0	0	0	112.4	G254	G254-A267 PolarHBondContact O-N 2.95Å
268	E	67.1	Low	77.2	Confident	105 Å²	105	65.6 Å²	65.6	49%	0.491	37%	0.371	S	S	.	.	S	Bend	trans	-133.8	166.2	175.4	-63.3	-170.2	175.1	0	0	110.4	E253 P266	E253-E268 HydrophobicContact CB-CB 4.23Å; E253-E268 HydrophobicContact CG-CB 3.83Å; E253-E268 HydrophobicContact CG-CG 4.02Å; P266-E268 VanDerWaalsContact C-N 3.26Å; P266-E268 PolarHBondContact O-N 3.15Å
269	T	66.2	Low	77.4	Confident	43 Å²	43	64.9 Å²	64.9	26%	0.264	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-65.8	141.3	-179.8	49.5	0	0	0	0	111.5	P106 V107	P106-T269 HydrophobicContact CB-CG2 3.51Å; P106-T269 HydrophobicContact CG-CG2 3.94Å; P106-T269 WeakPolarHBondContact O-CG2 3.44Å; V107-T269 WeakPolarHBondContact O-CG2 3.44Å
270	A	83.5	Confident	77.9	Confident	19 Å²	19	62.4 Å²	62.4	16%	0.157	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64.7	148.4	175.4	0	0	0	0	0	110.9	I249 Y251	I249-A270 HydrophobicContact CG2-CB 3.43Å; I249-A270 VanDerWaalsContact CG2-CB 3.43Å; Y251-A270 HydrophobicContact CD1-CB 3.77Å; Y251-A270 HydrophobicContact CE1-CB 3.73Å; Y251-A270 HydrophobicContact CG-CB 4.44Å
271	R	86.4	Confident	78.2	Confident	37 Å²	37	55.9 Å²	55.9	14%	0.14	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.4	172.1	-56.3	-74.7	172.5	173.2	-1.3	108.2	S109 E111 A113 W126 I249 F250 V252	S109-R271 PolarHBondContact OG-NH1 3.17Å; E111-R271 IonicContact OE2-NH1 2.85Å; A113-R271 HydrophobicContact CB-CB 4.19Å; W126-R271 HydrophobicContact CD2-CG 4.41Å; W126-R271 HydrophobicContact CE3-CG 4.3Å; W126-R271 HydrophobicContact CZ3-CG 4.47Å; I249-R271 CarbonylContact C-O 3.56Å; I249-R271 WeakPolarHBondContact CA-O 3.37Å; F250-R271 HydrophobicContact CB-CB 4.37Å; F250-R271 WeakPolarHBondContact CD2-O 3.36Å; F250-R271 PolarHBondContact N-O 3.46Å; F250-R271 PolarHBondContact O-N 3.05Å; V252-R271 HydrophobicContact CG2-CB 4.44Å; V252-R271 HydrophobicContact CG2-CG 3.8Å
272	I	87	Confident	77.9	Confident	21 Å²	21	55.4 Å²	55.4	11%	0.108	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.7	-179.1	-57	177.9	0	0	0	108.7	A113 S170 Y247 M248 I249	A113-I272 WeakPolarHBondContact CB-O 3.24Å; A113-I272 PolarHBondContact N-O 3.25Å; S170-I272 WeakPolarHBondContact O-CD1 3.39Å; Y247-I272 HydrophobicContact CD1-CG2 4.21Å; Y247-I272 HydrophobicContact CG-CG2 4.33Å; M248-I272 CarbonylContact O-C 3.42Å; M248-I272 WeakPolarHBondContact O-CA 3.47Å; I249-I272 HydrophobicContact CG1-CG1 4.3Å; I249-I272 HydrophobicContact CG2-CG1 4.45Å
273	S	88.8	Confident	77.2	Confident	5 Å²	5	53.3 Å²	53.3	4%	0.035	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-56.3	143.3	177.2	65.8	0	0	0	0	111.7	Y247 M248 D275	Y247-S273 WeakPolarHBondContact CA-OG 3.39Å; Y247-S273 WeakPolarHBondContact CD1-O 3.38Å; M248-S273 PolarHBondContact N-OG 3.02Å; M248-S273 PolarHBondContact O-N 2.96Å; S273-D275 VanDerWaalsContact C-N 3.32Å; S273-D275 WeakPolarHBondContact CB-O 3.41Å; S273-D275 PolarHBondContact O-N 2.88Å; S273-D275 PolarHBondContact OG-O 3.4Å
274	Q	84.7	Confident	75.9	Confident	113 Å²	113	56.7 Å²	56.7	53%	0.528	33%	0.325	S	S	.	.	S	Bend	trans	-59.3	-45	176.5	-73.2	180	7.5	0	0	112	P112 A113	P112-Q274 HydrophobicContact CB-CB 4.43Å; P112-Q274 HydrophobicContact CB-CG 3.42Å; P112-Q274 VanDerWaalsContact CB-CG 3.42Å; P112-Q274 HydrophobicContact CG-CG 3.43Å; P112-Q274 VanDerWaalsContact CG-CG 3.43Å; A113-Q274 PolarHBondContact O-N 3.11Å
275	D	85.5	Confident	74.3	Confident	123 Å²	123	56.3 Å²	56.3	66%	0.658	33%	0.328	S	S	*	.	S	Bend	trans	-118.4	162.7	-179.3	-68.3	-51.2	0	0	0	110.9	S273 V277	S273-D275 VanDerWaalsContact C-N 3.32Å; S273-D275 WeakPolarHBondContact CB-O 3.41Å; S273-D275 PolarHBondContact O-N 2.88Å; S273-D275 PolarHBondContact OG-O 3.4Å; D275-V277 PolarHBondContact O-N 3.24Å
276	K	88.6	Confident	72.9	Confident	85 Å²	85	57.8 Å²	57.8	37%	0.37	34%	0.335	S	S	.	.			trans	-67.9	128.5	169.8	-67	-174.7	169.4	-158	0	109.7	Q168 C245 Y246 Y247	Q168-K276 WeakPolarHBondContact O-CE 3.21Å; Q168-K276 PolarHBondContact O-NZ 3.43Å; C245-K276 HydrophobicContact CB-CB 3.71Å; C245-K276 WeakPolarHBondContact O-CD 3.29Å; Y246-K276 CarbonylContact O-C 3.53Å; Y246-K276 WeakPolarHBondContact O-CA 3.44Å; Y247-K276 HydrophobicContact CD1-CG 4.38Å; Y247-K276 HydrophobicContact CD2-CG 3.84Å; Y247-K276 HydrophobicContact CE1-CG 4.23Å; Y247-K276 HydrophobicContact CE2-CD 4.22Å; Y247-K276 VanDerWaalsContact CE2-CE 3.47Å; Y247-K276 HydrophobicContact CE2-CG 3.67Å; Y247-K276 HydrophobicContact CG-CG 4.2Å
277	V	87.9	Confident	71.6	Confident	11 Å²	11	61.6 Å²	61.6	7%	0.067	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-90.7	130.9	177.5	-178	0	0	0	0	109.1	V115 A117 W139 C245 Y246 M248 D275	V115-V277 HydrophobicContact CB-CG2 4.31Å; V115-V277 HydrophobicContact CG1-CG2 3.73Å; V115-V277 HydrophobicContact CG2-CG2 4.47Å; A117-V277 HydrophobicContact CB-CG1 3.74Å; W139-V277 HydrophobicContact CZ2-CG1 3.8Å; C245-V277 WeakPolarHBondContact CA-O 3.34Å; C245-V277 WeakPolarHBondContact CB-O 3.28Å; Y246-V277 PolarHBondContact N-O 2.98Å; Y246-V277 PolarHBondContact O-N 3.3Å; M248-V277 HydrophobicContact CG-CB 4.01Å; M248-V277 HydrophobicContact CG-CG2 3.95Å; M248-V277 HydrophobicContact SD-CB 3.86Å; M248-V277 HydrophobicContact SD-CG1 3.82Å; M248-V277 HydrophobicContact SD-CG2 3.88Å; D275-V277 PolarHBondContact O-N 3.24Å
278	C	85.2	Confident	71.4	Confident	34 Å²	34	62.8 Å²	62.8	23%	0.23	36%	0.355	C	S	.	.			trans	-110.9	117.9	176.6	-45.6	0	0	0	0	108.8	C245 K280	C245-C278 HydrophobicContact CB-CB 3.95Å; C245-C278 WeakPolarHBondContact CB-SG 3.3Å; C245-C278 WeakPolarHBondContact SG-CB 3.47Å; C245-C278 CovalentContact SG-SG 2.02Å; C245-C278 PolarHBondContact SG-SG 3Å; C278-K280 HydrophobicContact CB-CD 4.42Å; C278-K280 VanDerWaalsContact CB-CE 3.47Å; C278-K280 HydrophobicContact CB-CG 4.16Å
279	I	81.5	Confident	71.1	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.015	37%	0.371	C	S	.	.			trans	-93.4	110.5	173.8	-53.3	174.8	0	0	0	107.4	W139 Y141 I148 R230 T240	W139-I279 HydrophobicContact CG-CD1 4.37Å; Y141-I279 HydrophobicContact CG-CG2 4.33Å; I148-I279 HydrophobicContact CD1-CD1 3.77Å; I148-I279 HydrophobicContact CD1-CG2 4.28Å; I148-I279 HydrophobicContact CG1-CD1 4.45Å; I148-I279 HydrophobicContact CG1-CG2 4.13Å; I148-I279 HydrophobicContact CG2-CD1 4.01Å; I148-I279 HydrophobicContact CG2-CG2 4.45Å; R230-I279 VanDerWaalsContact CZ-O 3.29Å; R230-I279 PolarHBondContact NE-O 3.09Å; R230-I279 PolarHBondContact NH2-O 2.75Å; T240-I279 HydrophobicContact CG2-CB 3.81Å; T240-I279 HydrophobicContact CG2-CD1 4.34Å; T240-I279 HydrophobicContact CG2-CG1 4.13Å
280	K	79.9	Confident	71.7	Confident	79 Å²	79	65.5 Å²	65.5	34%	0.343	37%	0.372	S	S	.	.			trans	-117	164	-172.9	-52.6	-178.8	178.8	171.2	0	110.6	T119 C120 Y141 D242 C278	T119-K280 CarbonylContact C-O 3.51Å; T119-K280 CarbonylContact O-C 3.56Å; T119-K280 WeakPolarHBondContact O-CA 3.42Å; T119-K280 WeakPolarHBondContact O-CB 3.17Å; T119-K280 PolarHBondContact O-N 3.26Å; C120-K280 WeakPolarHBondContact CA-O 3.48Å; C120-K280 WeakPolarHBondContact CB-O 3.41Å; Y141-K280 WeakPolarHBondContact CD1-O 3.25Å; D242-K280 WeakPolarHBondContact O-CE 3.17Å; C278-K280 HydrophobicContact CB-CD 4.42Å; C278-K280 VanDerWaalsContact CB-CE 3.47Å; C278-K280 HydrophobicContact CB-CG 4.16Å
281	P	71.9	Confident	71.7	Confident	34 Å²	34	66.4 Å²	66.4	22%	0.221	38%	0.376	C	S	.	.			trans	-53.8	146.3	168.5	-23.2	34.2	0	0	0	111.3	Y141 E143 D242 A283	Y141-P281 HydrophobicContact CE1-CB 4.08Å; Y141-P281 HydrophobicContact CE1-CG 4.04Å; E143-P281 HydrophobicContact CG-CB 3.83Å; E143-P281 WeakPolarHBondContact OE1-CA 3.1Å; E143-P281 WeakPolarHBondContact OE1-CB 3.31Å; D242-P281 WeakPolarHBondContact OD1-CD 3.39Å; P281-A283 PolarHBondContact O-N 3.05Å
282	C	62.3	Low	71.8	Confident	21 Å²	21	65.9 Å²	65.9	14%	0.142	38%	0.378	C	S	.	.			trans	-70.3	86.7	170.8	-63.7	0	0	0	0	105.1	C120 E143 P284	C120-C282 HydrophobicContact CB-CB 3.79Å; C120-C282 WeakPolarHBondContact CB-SG 3.31Å; C120-C282 WeakPolarHBondContact SG-CA 3.38Å; C120-C282 WeakPolarHBondContact SG-CB 3.12Å; C120-C282 CovalentContact SG-SG 2.02Å; C120-C282 PolarHBondContact SG-SG 2.99Å; E143-C282 PolarHBondContact OE1-N 2.76Å; E143-C282 VanDerWaalsContact OE1-O 3.05Å; C282-P284 VanDerWaalsContact O-N 3.08Å
283	A	58.5	Low	72	Confident	54 Å²	54	68.5 Å²	68.5	45%	0.446	39%	0.386	S	S	.	.			trans	-44.2	128.2	177.1	0	0	0	0	0	107.2	P281 T285	P281-A283 PolarHBondContact O-N 3.05Å; A283-T285 VanDerWaalsContact C-N 3.35Å; A283-T285 PolarHBondContact O-N 2.75Å
284	P	50.1	Low	72.3	Confident	103 Å²	103	72.8 Å²	72.8	67%	0.669	41%	0.406	S	S	*	.			trans	-56.3	113.6	175.8	22.9	-30.2	0	0	0	103.5	C282 T286	C282-P284 VanDerWaalsContact O-N 3.08Å; P284-T286 PolarHBondContact O-N 2.74Å; P284-T286 PolarHBondContact O-OG1 3.26Å
285	T	44.8	Very low	72.7	Confident	85 Å²	85	69.4 Å²	69.4	52%	0.521	39%	0.389	S	S	.	.			trans	-67.3	81.1	-176.8	-58.3	0	0	0	0	106.1	A283 S287 Q288	A283-T285 VanDerWaalsContact C-N 3.35Å; A283-T285 PolarHBondContact O-N 2.75Å; T285-S287 PolarHBondContact O-N 3.15Å; T285-Q288 HydrophobicContact CG2-CB 4.48Å; T285-Q288 HydrophobicContact CG2-CG 4.11Å
286	T	40.9	Very low	73.2	Confident	128 Å²	128	66.1 Å²	66.1	79%	0.785	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	108.2	176.3	25.9	0	0	0	0	105.5	P284	P284-T286 PolarHBondContact O-N 2.74Å; P284-T286 PolarHBondContact O-OG1 3.26Å
287	S	44	Very low	73.3	Confident	113 Å²	113	65.2 Å²	65.2	79%	0.79	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	43.5	163.8	-158.3	0	0	0	0	118.5	T285	T285-S287 PolarHBondContact O-N 3.15Å
288	Q	53.7	Low	73.5	Confident	102 Å²	102	67.5 Å²	67.5	48%	0.477	38%	0.379	S	S	.	.			trans	-102	120.1	153.2	-74.9	-171.9	-2.6	0	0	110.9	T285 Y290	T285-Q288 HydrophobicContact CG2-CB 4.48Å; T285-Q288 HydrophobicContact CG2-CG 4.11Å; Q288-Y290 VanDerWaalsContact C-N 3.33Å; Q288-Y290 PolarHBondContact O-N 3.31Å
289	T	61.8	Low	73.5	Confident	133 Å²	133	69.6 Å²	69.6	82%	0.816	40%	0.399	S	S	*	.			trans	-87.9	14.1	-172.1	38.7	0	0	0	0	114.1	C291	T289-C291 VanDerWaalsContact C-SG 3.57Å; T289-C291 PolarHBondContact O-N 3.33Å; T289-C291 PolarHBondContact O-SG 2.78Å
290	Y	77.7	Confident	73.8	Confident	73 Å²	73	77.1 Å²	77.1	29%	0.286	44%	0.439	S	S	.	.			trans	-82	93	-177.7	-168	-112.7	0	0	0	110.9	Q288 P292 Q469 I471 C472	Q288-Y290 VanDerWaalsContact C-N 3.33Å; Q288-Y290 PolarHBondContact O-N 3.31Å; Y290-P292 HydrophobicContact CD1-CG 4.05Å; Y290-P292 HydrophobicContact CE1-CG 3.54Å; Y290-P292 HydrophobicContact CE2-CG 4.29Å; Y290-P292 WeakPolarHBondContact O-CD 3.47Å; Y290-Q469 HydrophobicContact CD1-CB 4.18Å; Y290-Q469 HydrophobicContact CD1-CG 3.66Å; Y290-Q469 HydrophobicContact CD2-CG 4.28Å; Y290-Q469 HydrophobicContact CE1-CG 3.83Å; Y290-Q469 HydrophobicContact CE2-CG 4.46Å; Y290-Q469 HydrophobicContact CG-CG 3.88Å; Y290-I471 HydrophobicContact CD1-CG1 4.02Å; Y290-I471 HydrophobicContact CE1-CG1 3.78Å; Y290-C472 PolarHBondContact O-N 3.47Å; Y290-C472 VanDerWaalsContact O-N 3.16Å
291	C	84	Confident	74.4	Confident	37 Å²	37	74.1 Å²	74.1	25%	0.25	43%	0.428	C	S	.	.			trans	-126.6	53.6	-171.7	-50.7	0	0	0	0	111.7	T289 C475	T289-C291 VanDerWaalsContact C-SG 3.57Å; T289-C291 PolarHBondContact O-N 3.33Å; T289-C291 PolarHBondContact O-SG 2.78Å; C291-C475 HydrophobicContact CB-CB 3.75Å; C291-C475 WeakPolarHBondContact CB-SG 3.3Å; C291-C475 WeakPolarHBondContact SG-CB 3.32Å; C291-C475 CovalentContact SG-SG 1.98Å; C291-C475 PolarHBondContact SG-SG 2.83Å
292	P	89.2	Confident	75	Confident	27 Å²	27	76.9 Å²	76.9	18%	0.175	44%	0.444	C	S	.	.			trans	-56.8	154.8	172.1	26.1	-33.2	0	0	0	110.2	Y290 W312 I471	Y290-P292 HydrophobicContact CD1-CG 4.05Å; Y290-P292 HydrophobicContact CE1-CG 3.54Å; Y290-P292 HydrophobicContact CE2-CG 4.29Å; Y290-P292 WeakPolarHBondContact O-CD 3.47Å; P292-W312 HydrophobicContact CB-CZ2 4.01Å; P292-W312 HydrophobicContact CG-CZ2 3.98Å; P292-W312 WeakPolarHBondContact O-CZ2 3.46Å; P292-W312 PolarHBondContact O-NE1 3.36Å; P292-I471 HydrophobicContact CG-CB 4.4Å; P292-I471 HydrophobicContact CG-CD1 3.72Å; P292-I471 HydrophobicContact CG-CG1 3.65Å; P292-I471 HydrophobicContact CG-CG2 3.98Å
293	R	91.3	Very high	75.6	Confident	76 Å²	76	84 Å²	84	29%	0.287	47%	0.473	S	S	.	.	S	Bend	trans	-116	-4.3	173.9	-63.3	-68.9	179.8	171.2	-7.5	112.2	V311 W312 L473	R293-V311 WeakPolarHBondContact O-CA 3.27Å; R293-W312 PolarHBondContact O-N 2.94Å; R293-L473 PolarHBondContact NH2-O 2.82Å
294	E	94.2	Very high	76.3	Confident	95 Å²	95	86.2 Å²	86.2	44%	0.444	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.5	-178.7	61.4	170.8	-159.7	0	0	111.8	K296 A310 V311	E294-K296 IonicContact OE1-NZ 2.59Å; E294-K296 PolarHBondContact OE1-NZ 2.81Å; E294-K296 WeakPolarHBondContact OE2-CE 3.36Å; E294-K296 IonicContact OE2-NZ 3.12Å; E294-K296 PolarHBondContact OE2-NZ 3.45Å; E294-A310 CarbonylContact C-O 3.51Å; E294-A310 WeakPolarHBondContact CA-O 3.45Å; E294-V311 HydrophobicContact CB-CG2 4.12Å
295	F	94.4	Very high	78	Confident	41 Å²	41	86.8 Å²	86.8	18%	0.18	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141	166.6	175.1	-93.2	0	0	0	109	Y308 Q309 A310 W312 F434 V436 I465	F295-Y308 AromaticContact CD1-CD1 3.77Å; F295-Y308 HydrophobicContact CD1-CD1 3.77Å; F295-Y308 AromaticContact CD1-CE1 3.79Å; F295-Y308 HydrophobicContact CD1-CE1 3.79Å; F295-Y308 AromaticContact CE1-CD1 3.84Å; F295-Y308 HydrophobicContact CE1-CD1 3.84Å; F295-Y308 HydrophobicContact CE1-CE1 4.14Å; F295-Q309 CarbonylContact O-C 3.58Å; F295-Q309 WeakPolarHBondContact O-CA 3.33Å; F295-A310 PolarHBondContact N-O 3.06Å; F295-A310 PolarHBondContact O-N 2.85Å; F295-W312 HydrophobicContact CB-CH2 4.29Å; F295-W312 HydrophobicContact CB-CZ3 4.23Å; F295-F434 HydrophobicContact CB-CD1 4.11Å; F295-F434 HydrophobicContact CB-CD2 4.47Å; F295-F434 HydrophobicContact CB-CE1 3.61Å; F295-F434 HydrophobicContact CB-CE2 4.03Å; F295-F434 HydrophobicContact CB-CZ 3.57Å; F295-F434 HydrophobicContact CD1-CB 3.91Å; F295-F434 AromaticContact CD1-CD1 3.68Å; F295-F434 HydrophobicContact CD1-CD1 3.68Å; F295-F434 AromaticContact CD1-CD2 3.75Å; F295-F434 HydrophobicContact CD1-CD2 3.75Å; F295-F434 HydrophobicContact CD1-CE1 4.08Å; F295-F434 HydrophobicContact CD1-CE2 4.16Å; F295-F434 AromaticContact CD1-CG 3.49Å; F295-F434 HydrophobicContact CD1-CG 3.49Å; F295-F434 VanDerWaalsContact CD1-CG 3.49Å; F295-F434 HydrophobicContact CD1-CZ 4.3Å; F295-F434 AromaticContact CD2-CD2 3.65Å; F295-F434 HydrophobicContact CD2-CD2 3.65Å; F295-F434 AromaticContact CD2-CE2 3.48Å; F295-F434 HydrophobicContact CD2-CE2 3.48Å; F295-F434 VanDerWaalsContact CD2-CE2 3.48Å; F295-F434 HydrophobicContact CD2-CG 4.27Å; F295-F434 AromaticContact CD2-CZ 3.95Å; F295-F434 HydrophobicContact CD2-CZ 3.95Å; F295-F434 HydrophobicContact CE1-CB 3.6Å; F295-F434 HydrophobicContact CE1-CD1 4.27Å; F295-F434 AromaticContact CE1-CD2 3.78Å; F295-F434 HydrophobicContact CE1-CD2 3.78Å; F295-F434 AromaticContact CE1-CG 3.62Å; F295-F434 HydrophobicContact CE1-CG 3.62Å; F295-F434 AromaticContact CE2-CD2 3.69Å; F295-F434 HydrophobicContact CE2-CD2 3.69Å; F295-F434 AromaticContact CE2-CE2 3.93Å; F295-F434 HydrophobicContact CE2-CE2 3.93Å; F295-F434 HydrophobicContact CE2-CG 4.38Å; F295-F434 AromaticContact CG-CD1 3.91Å; F295-F434 HydrophobicContact CG-CD1 3.91Å; F295-F434 AromaticContact CG-CD2 3.68Å; F295-F434 HydrophobicContact CG-CD2 3.68Å; F295-F434 AromaticContact CG-CE1 3.82Å; F295-F434 HydrophobicContact CG-CE1 3.82Å; F295-F434 AromaticContact CG-CE2 3.61Å; F295-F434 HydrophobicContact CG-CE2 3.61Å; F295-F434 AromaticContact CG-CG 3.83Å; F295-F434 HydrophobicContact CG-CG 3.83Å; F295-F434 AromaticContact CG-CZ 3.67Å; F295-F434 HydrophobicContact CG-CZ 3.67Å; F295-F434 HydrophobicContact CZ-CB 4.16Å; F295-F434 AromaticContact CZ-CD2 3.75Å; F295-F434 HydrophobicContact CZ-CD2 3.75Å; F295-F434 HydrophobicContact CZ-CE2 4.43Å; F295-F434 HydrophobicContact CZ-CG 4.08Å; F295-V436 HydrophobicContact CE1-CG2 4.34Å; F295-I465 HydrophobicContact CE2-CG2 4.16Å; F295-I465 HydrophobicContact CZ-CB 4.14Å; F295-I465 HydrophobicContact CZ-CD1 4.21Å; F295-I465 HydrophobicContact CZ-CG2 3.88Å
296	K	94.5	Very high	80.2	Confident	54 Å²	54	83 Å²	83	24%	0.235	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.7	-177.4	-75.6	172.3	-175.6	151.1	0	110.3	E294 A299 Q309	E294-K296 IonicContact OE1-NZ 2.59Å; E294-K296 PolarHBondContact OE1-NZ 2.81Å; E294-K296 WeakPolarHBondContact OE2-CE 3.36Å; E294-K296 IonicContact OE2-NZ 3.12Å; E294-K296 PolarHBondContact OE2-NZ 3.45Å; K296-A299 WeakPolarHBondContact O-CA 3.17Å; K296-Q309 HydrophobicContact CG-CG 4.03Å
297	Y	92.3	Very high	82.7	Confident	66 Å²	66	80.6 Å²	80.6	26%	0.259	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.5	171.7	-171.5	-87.4	0	0	0	111.4	E307 Y308 V436 I465	Y297-E307 HydrophobicContact CD1-CB 4.15Å; Y297-E307 WeakPolarHBondContact CE1-OE2 3.28Å; Y297-E307 PolarHBondContact O-N 3.22Å; Y297-Y308 PolarHBondContact N-O 3.22Å; Y297-Y308 PolarHBondContact O-N 2.8Å; Y297-Y308 VanDerWaalsContact O-N 3.09Å; Y297-V436 HydrophobicContact CD1-CB 4.37Å; Y297-V436 HydrophobicContact CD1-CG1 3.19Å; Y297-V436 HydrophobicContact CD1-CG2 4.28Å; Y297-V436 HydrophobicContact CD2-CG1 4.48Å; Y297-V436 HydrophobicContact CD2-CG2 4.24Å; Y297-V436 HydrophobicContact CE1-CG1 3.62Å; Y297-V436 HydrophobicContact CG-CB 4.45Å; Y297-V436 HydrophobicContact CG-CG1 3.67Å; Y297-V436 HydrophobicContact CG-CG2 3.86Å; Y297-I465 HydrophobicContact CD2-CD1 3.37Å; Y297-I465 HydrophobicContact CE2-CD1 3.49Å; Y297-I465 VanDerWaalsContact CE2-CD1 3.49Å; Y297-I465 HydrophobicContact CG-CD1 4.27Å
298	P	92.1	Very high	85.1	Confident	59 Å²	59	75.2 Å²	75.2	38%	0.383	39%	0.394	S	S	.	.	S	Bend	cis	-58	154.8	-14.2	-23.7	34.9	0	0	0	112.1	D300 C301	P298-D300 PolarHBondContact O-N 2.77Å; P298-C301 VanDerWaalsContact O-CB 3.27Å; P298-C301 WeakPolarHBondContact O-CB 3.34Å; P298-C301 PolarHBondContact O-N 3.36Å; P298-C301 PolarHBondContact O-SG 2.98Å
299	A	85.2	Confident	87.1	Confident	79 Å²	79	72.3 Å²	72.3	65%	0.653	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.1	-169.8	0	0	0	0	0	115	K296	K296-A299 WeakPolarHBondContact O-CA 3.17Å
300	D	87.8	Confident	88.7	Confident	160 Å²	160	66 Å²	66	86%	0.856	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	8	-177.8	-61.8	-40.3	0	0	0	114	P298	P298-D300 PolarHBondContact O-N 2.77Å
301	C	91.7	Very high	89.6	Confident	17 Å²	17	65 Å²	65	12%	0.115	34%	0.343	C	S	.	.			trans	-70.1	154.6	-179.1	70.3	0	0	0	0	112.5	P298 C306	P298-C301 VanDerWaalsContact O-CB 3.27Å; P298-C301 WeakPolarHBondContact O-CB 3.34Å; P298-C301 PolarHBondContact O-N 3.36Å; P298-C301 PolarHBondContact O-SG 2.98Å; C301-C306 VanDerWaalsContact C-SG 3.58Å; C301-C306 HydrophobicContact CB-CB 3.85Å; C301-C306 WeakPolarHBondContact CB-SG 3.5Å; C301-C306 WeakPolarHBondContact SG-CA 3.45Å; C301-C306 WeakPolarHBondContact SG-CB 3.42Å; C301-C306 CovalentContact SG-SG 2.02Å; C301-C306 PolarHBondContact SG-SG 2.69Å
302	T	85	Confident	90.1	Very high	91 Å²	91	63.4 Å²	63.4	56%	0.558	33%	0.332	S	S	*	.			trans	-126.5	124.3	177.1	55.9	0	0	0	0	111.9	D304 D305	T302-D304 PolarHBondContact O-N 2.77Å; T302-D305 WeakPolarHBondContact O-CB 3.27Å; T302-D305 PolarHBondContact O-N 2.78Å
303	K	73.5	Confident	90.3	Very high	171 Å²	171	67.3 Å²	67.3	74%	0.743	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	53.9	-126.7	176.3	-57.8	-179.8	176.9	180	0	111.9	D305 C306	K303-D305 PolarHBondContact O-N 2.74Å; K303-D305 VanDerWaalsContact O-N 3.13Å; K303-C306 WeakPolarHBondContact O-CB 3.21Å; K303-C306 PolarHBondContact O-N 3.4Å; K303-C306 VanDerWaalsContact O-N 3.17Å; K303-C306 PolarHBondContact O-SG 3.49Å; K303-C306 VanDerWaalsContact O-SG 3.38Å
304	D	74.1	Confident	90.3	Very high	101 Å²	101	65.3 Å²	65.3	54%	0.54	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-71.7	-4.4	-173.9	-48.7	-31.5	0	0	0	112.9	T302 C306 R328	T302-D304 PolarHBondContact O-N 2.77Å; D304-C306 VanDerWaalsContact C-N 3.31Å; D304-R328 PolarHBondContact O-NH2 3.02Å
305	D	86.2	Confident	90	Very high	114 Å²	114	63.9 Å²	63.9	61%	0.61	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-78	-18.7	172.8	-64.7	-27.6	0	0	0	112	T302 K303 R328	T302-D305 WeakPolarHBondContact O-CB 3.27Å; T302-D305 PolarHBondContact O-N 2.78Å; K303-D305 PolarHBondContact O-N 2.74Å; K303-D305 VanDerWaalsContact O-N 3.13Å; D305-R328 PolarHBondContact O-NH2 2.89Å
306	C	91.6	Very high	89.4	Confident	7 Å²	7	68 Å²	68	5%	0.047	36%	0.362	C	S	.	.			trans	-65	137.4	177.2	-63.1	0	0	0	0	111.8	C301 K303 D304 Q309	C301-C306 VanDerWaalsContact C-SG 3.58Å; C301-C306 HydrophobicContact CB-CB 3.85Å; C301-C306 WeakPolarHBondContact CB-SG 3.5Å; C301-C306 WeakPolarHBondContact SG-CA 3.45Å; C301-C306 WeakPolarHBondContact SG-CB 3.42Å; C301-C306 CovalentContact SG-SG 2.02Å; C301-C306 PolarHBondContact SG-SG 2.69Å; K303-C306 WeakPolarHBondContact O-CB 3.21Å; K303-C306 PolarHBondContact O-N 3.4Å; K303-C306 VanDerWaalsContact O-N 3.17Å; K303-C306 PolarHBondContact O-SG 3.49Å; K303-C306 VanDerWaalsContact O-SG 3.38Å; D304-C306 VanDerWaalsContact C-N 3.31Å; C306-Q309 HydrophobicContact CB-CB 4.41Å
307	E	93	Very high	88.9	Confident	77 Å²	77	74.2 Å²	74.2	36%	0.36	39%	0.392	S	S	.	.	S	Bend	trans	-75.2	-36.7	169.6	-68.2	-176.6	-174.8	0	0	110.8	Y297 S327 R328	Y297-E307 HydrophobicContact CD1-CB 4.15Å; Y297-E307 WeakPolarHBondContact CE1-OE2 3.28Å; Y297-E307 PolarHBondContact O-N 3.22Å; E307-S327 CarbonylContact O-C 3.53Å; E307-S327 WeakPolarHBondContact O-CA 3.28Å; E307-R328 PolarHBondContact O-N 3.22Å
308	Y	94.8	Very high	88.5	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.7	174.4	-179.4	-84.2	0	0	0	110.6	F295 Y297 A310 V325 S326 G336 F434 P435 V436	F295-Y308 AromaticContact CD1-CD1 3.77Å; F295-Y308 HydrophobicContact CD1-CD1 3.77Å; F295-Y308 AromaticContact CD1-CE1 3.79Å; F295-Y308 HydrophobicContact CD1-CE1 3.79Å; F295-Y308 AromaticContact CE1-CD1 3.84Å; F295-Y308 HydrophobicContact CE1-CD1 3.84Å; F295-Y308 HydrophobicContact CE1-CE1 4.14Å; Y297-Y308 PolarHBondContact N-O 3.22Å; Y297-Y308 PolarHBondContact O-N 2.8Å; Y297-Y308 VanDerWaalsContact O-N 3.09Å; Y308-A310 HydrophobicContact CE1-CB 3.85Å; Y308-V325 HydrophobicContact CD2-CG1 4.5Å; Y308-V325 HydrophobicContact CE2-CG1 3.58Å; Y308-V325 WeakPolarHBondContact OH-CG1 2.91Å; Y308-S326 CarbonylContact C-O 3.49Å; Y308-S326 WeakPolarHBondContact CA-O 3.22Å; Y308-G336 PolarHBondContact OH-O 2.62Å; Y308-F434 HydrophobicContact CD1-CB 4.37Å; Y308-F434 HydrophobicContact CE1-CB 3.77Å; Y308-F434 AromaticContact CE1-CD1 3.82Å; Y308-F434 HydrophobicContact CE1-CD1 3.82Å; Y308-F434 HydrophobicContact CE1-CG 4.17Å; Y308-P435 HydrophobicContact CE2-CG 4.45Å; Y308-V436 HydrophobicContact CD1-CG2 4.37Å; Y308-V436 HydrophobicContact CG-CB 4.48Å; Y308-V436 HydrophobicContact CG-CG2 4.2Å
309	Q	95.1	Very high	88.2	Confident	41 Å²	41	74.2 Å²	74.2	19%	0.192	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.2	173.9	-176.8	-179.4	19.6	0	0	109.7	F295 K296 C306 V311 V325 S326	F295-Q309 CarbonylContact O-C 3.58Å; F295-Q309 WeakPolarHBondContact O-CA 3.33Å; K296-Q309 HydrophobicContact CG-CG 4.03Å; C306-Q309 HydrophobicContact CB-CB 4.41Å; Q309-V311 HydrophobicContact CG-CG2 4.1Å; Q309-V325 CarbonylContact O-C 3.5Å; Q309-V325 WeakPolarHBondContact O-CA 3.18Å; Q309-S326 PolarHBondContact N-O 3.36Å; Q309-S326 PolarHBondContact O-N 2.86Å
310	A	95.9	Very high	88.4	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.008	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.8	169.2	0	0	0	0	0	109.5	E294 F295 Y308 W312 T324 V325 I337 F434	E294-A310 CarbonylContact C-O 3.51Å; E294-A310 WeakPolarHBondContact CA-O 3.45Å; F295-A310 PolarHBondContact N-O 3.06Å; F295-A310 PolarHBondContact O-N 2.85Å; Y308-A310 HydrophobicContact CE1-CB 3.85Å; A310-W312 HydrophobicContact CB-CE3 4.49Å; A310-W312 HydrophobicContact CB-CZ3 4.21Å; A310-T324 CarbonylContact C-O 3.57Å; A310-T324 WeakPolarHBondContact CA-O 3.47Å; A310-V325 HydrophobicContact CB-CG2 4.26Å; A310-I337 HydrophobicContact CB-CD1 4.18Å; A310-F434 HydrophobicContact CB-CD1 4.24Å; A310-F434 HydrophobicContact CB-CE1 4.16Å
311	V	95.6	Very high	88.7	Confident	52 Å²	52	64.9 Å²	64.9	32%	0.315	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.8	177.4	-177	0	0	0	0	108.1	R293 E294 Q309 F323 T324	R293-V311 WeakPolarHBondContact O-CA 3.27Å; E294-V311 HydrophobicContact CB-CG2 4.12Å; Q309-V311 HydrophobicContact CG-CG2 4.1Å; V311-F323 CarbonylContact O-C 3.58Å; V311-F323 WeakPolarHBondContact O-CA 3.43Å; V311-T324 PolarHBondContact N-O 2.97Å; V311-T324 PolarHBondContact O-N 2.87Å
312	W	94.9	Very high	88.9	Confident	3 Å²	3	66 Å²	66	1%	0.011	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137	177.9	54.3	91.3	0	0	0	111.7	P292 R293 F295 A310 V321 T322 F323 F432 F434 I471 L473	P292-W312 HydrophobicContact CB-CZ2 4.01Å; P292-W312 HydrophobicContact CG-CZ2 3.98Å; P292-W312 WeakPolarHBondContact O-CZ2 3.46Å; P292-W312 PolarHBondContact O-NE1 3.36Å; R293-W312 PolarHBondContact O-N 2.94Å; F295-W312 HydrophobicContact CB-CH2 4.29Å; F295-W312 HydrophobicContact CB-CZ3 4.23Å; A310-W312 HydrophobicContact CB-CE3 4.49Å; A310-W312 HydrophobicContact CB-CZ3 4.21Å; W312-V321 HydrophobicContact CB-CG1 4.27Å; W312-T322 VanDerWaalsContact CA-O 3.28Å; W312-T322 WeakPolarHBondContact CA-O 3.12Å; W312-F323 HydrophobicContact CB-CD1 3.6Å; W312-F323 HydrophobicContact CB-CE1 3.62Å; W312-F323 HydrophobicContact CB-CG 4.32Å; W312-F323 HydrophobicContact CB-CZ 4.36Å; W312-F323 HydrophobicContact CG-CD1 4.46Å; W312-F323 HydrophobicContact CG-CE1 4.16Å; W312-F432 HydrophobicContact CD2-CD2 4.46Å; W312-F432 AromaticContact CD2-CE2 3.81Å; W312-F432 HydrophobicContact CD2-CE2 3.81Å; W312-F432 AromaticContact CE2-CE2 3.85Å; W312-F432 HydrophobicContact CE3-CD2 4.27Å; W312-F432 HydrophobicContact CE3-CE2 4.02Å; W312-F432 HydrophobicContact CG-CE2 4.31Å; W312-F432 HydrophobicContact CH2-CD2 4.14Å; W312-F432 HydrophobicContact CH2-CE2 4.33Å; W312-F432 HydrophobicContact CZ2-CD2 4.32Å; W312-F432 HydrophobicContact CZ2-CE2 4.12Å; W312-F432 HydrophobicContact CZ3-CD2 4.11Å; W312-F432 HydrophobicContact CZ3-CE2 4.28Å; W312-F434 HydrophobicContact CH2-CZ 4.38Å; W312-F434 HydrophobicContact CZ3-CE1 4.22Å; W312-F434 HydrophobicContact CZ3-CZ 4.46Å; W312-I471 HydrophobicContact CH2-CD1 4.03Å; W312-I471 HydrophobicContact CZ2-CD1 3.91Å; W312-I471 HydrophobicContact CZ2-CG2 4.08Å; W312-L473 VanDerWaalsContact CD1-CD2 3.41Å; W312-L473 HydrophobicContact CG-CD2 4.41Å
313	D	93.3	Very high	89.5	Confident	108 Å²	108	61.8 Å²	61.8	58%	0.578	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.7	179.1	-167.5	31.9	0	0	0	110	V321 T322	D313-V321 CarbonylContact O-C 3.58Å; D313-V321 WeakPolarHBondContact O-CA 3.36Å; D313-T322 PolarHBondContact N-O 3.32Å; D313-T322 PolarHBondContact O-N 3.28Å
314	Y	91.3	Very high	90.6	Very high	34 Å²	34	55.6 Å²	55.6	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.7	-178.4	169.8	-125.5	0	0	0	109.1	I316 D319 K320 V321 V415 L474	Y314-I316 HydrophobicContact CE1-CB 3.96Å; Y314-I316 HydrophobicContact CE1-CG1 4.12Å; Y314-D319 PolarHBondContact OH-OD1 3.03Å; Y314-K320 WeakPolarHBondContact CD2-O 3.34Å; Y314-V321 HydrophobicContact CD2-CG2 3.84Å; Y314-V415 HydrophobicContact CD2-CG2 3.72Å; Y314-V415 HydrophobicContact CE2-CG2 3.21Å; Y314-L474 HydrophobicContact CE1-CD2 3.54Å; Y314-L474 HydrophobicContact CE1-CG 4.45Å
315	D	88.1	Confident	91.7	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.3	172.4	179.4	8.8	0	0	0	110.1	E317 S318 D319 K320	D315-E317 VanDerWaalsContact C-N 3.26Å; D315-E317 PolarHBondContact O-N 2.96Å; D315-E317 PolarHBondContact OD1-N 3.45Å; D315-S318 WeakPolarHBondContact CB-OG 3.38Å; D315-S318 PolarHBondContact O-N 3.37Å; D315-S318 WeakPolarHBondContact OD2-CB 3.23Å; D315-S318 PolarHBondContact OD2-OG 2.89Å; D315-D319 PolarHBondContact O-N 3.45Å; D315-K320 PolarHBondContact N-O 2.77Å; D315-K320 PolarHBondContact O-N 2.78Å; D315-K320 VanDerWaalsContact O-N 3.17Å
316	I	82.4	Confident	92.1	Very high	128 Å²	128	46.1 Å²	46.1	66%	0.656	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.8	-179.1	-163.5	166.4	0	0	0	113.5	Y314	Y314-I316 HydrophobicContact CE1-CB 3.96Å; Y314-I316 HydrophobicContact CE1-CG1 4.12Å
317	E	82.7	Confident	92.2	Very high	184 Å²	184	46 Å²	46	86%	0.86	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-34.2	-178	-65.1	-171.8	173.4	0	0	111.5	D315	D315-E317 VanDerWaalsContact C-N 3.26Å; D315-E317 PolarHBondContact O-N 2.96Å; D315-E317 PolarHBondContact OD1-N 3.45Å
318	S	84	Confident	92.1	Very high	57 Å²	57	47.9 Å²	47.9	40%	0.399	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	0.2	180	62.8	0	0	0	0	114.2	D315 K320	D315-S318 WeakPolarHBondContact CB-OG 3.38Å; D315-S318 PolarHBondContact O-N 3.37Å; D315-S318 WeakPolarHBondContact OD2-CB 3.23Å; D315-S318 PolarHBondContact OD2-OG 2.89Å; S318-K320 PolarHBondContact O-N 2.93Å; S318-K320 WeakPolarHBondContact OG-CB 3.44Å
319	D	85.2	Confident	91.9	Very high	68 Å²	68	48.7 Å²	48.7	36%	0.364	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.8	-174.8	-161.9	38.7	0	0	0	113	Y314 D315 N414 V415	Y314-D319 PolarHBondContact OH-OD1 3.03Å; D315-D319 PolarHBondContact O-N 3.45Å; D319-N414 VanDerWaalsContact O-CA 3.32Å; D319-N414 WeakPolarHBondContact O-CA 3.27Å; D319-V415 PolarHBondContact O-N 2.83Å; D319-V415 WeakPolarHBondContact OD1-CB 3.37Å; D319-V415 VanDerWaalsContact OD1-CG2 3.28Å; D319-V415 WeakPolarHBondContact OD1-CG2 3.44Å
320	K	90.2	Very high	91.4	Very high	43 Å²	43	51.6 Å²	51.6	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.8	-169.5	-174.8	178.8	83.4	169.3	0	111.9	Y314 D315 S318 F396 D397	Y314-K320 WeakPolarHBondContact CD2-O 3.34Å; D315-K320 PolarHBondContact N-O 2.77Å; D315-K320 PolarHBondContact O-N 2.78Å; D315-K320 VanDerWaalsContact O-N 3.17Å; S318-K320 PolarHBondContact O-N 2.93Å; S318-K320 WeakPolarHBondContact OG-CB 3.44Å; K320-F396 HydrophobicContact CD-CE2 3.36Å; K320-F396 HydrophobicContact CD-CZ 3.53Å; K320-F396 HydrophobicContact CG-CE2 4.08Å; K320-F396 HydrophobicContact CG-CZ 3.71Å; K320-D397 IonicContact NZ-OD2 3.39Å; K320-D397 PolarHBondContact NZ-OD2 2.73Å
321	V	93.9	Very high	90.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.3	171.5	-168.5	0	0	0	0	109.1	W312 D313 Y314 F323 S412 R413 V415 L426 L473	W312-V321 HydrophobicContact CB-CG1 4.27Å; D313-V321 CarbonylContact O-C 3.58Å; D313-V321 WeakPolarHBondContact O-CA 3.36Å; Y314-V321 HydrophobicContact CD2-CG2 3.84Å; V321-F323 HydrophobicContact CB-CE2 3.82Å; V321-F323 HydrophobicContact CB-CZ 4.34Å; V321-F323 HydrophobicContact CG1-CD2 4.06Å; V321-F323 HydrophobicContact CG1-CE1 4.32Å; V321-F323 HydrophobicContact CG1-CE2 3.41Å; V321-F323 VanDerWaalsContact CG1-CE2 3.41Å; V321-F323 HydrophobicContact CG1-CZ 3.56Å; V321-S412 CarbonylContact O-C 3.51Å; V321-S412 WeakPolarHBondContact O-CA 3.48Å; V321-R413 PolarHBondContact N-O 3.13Å; V321-R413 PolarHBondContact O-N 2.77Å; V321-V415 HydrophobicContact CG2-CG2 3.83Å; V321-L426 HydrophobicContact CB-CD1 4.17Å; V321-L426 HydrophobicContact CG2-CD1 3.94Å; V321-L473 HydrophobicContact CB-CD1 4.26Å; V321-L473 HydrophobicContact CG1-CD1 3.85Å; V321-L473 HydrophobicContact CG2-CD1 3.45Å; V321-L473 VanDerWaalsContact CG2-CD1 3.45Å
322	T	96.3	Very high	90.3	Very high	42 Å²	42	55.6 Å²	55.6	26%	0.258	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120	175.5	-54	0	0	0	0	110.1	W312 D313 T410 F411 S412	W312-T322 VanDerWaalsContact CA-O 3.28Å; W312-T322 WeakPolarHBondContact CA-O 3.12Å; D313-T322 PolarHBondContact N-O 3.32Å; D313-T322 PolarHBondContact O-N 3.28Å; T322-T410 HydrophobicContact CG2-CG2 4.11Å; T322-F411 CarbonylContact C-O 3.58Å; T322-S412 PolarHBondContact OG1-OG 2.8Å
323	F	97.5	Very high	90.1	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.3	177	-66.7	-91.3	0	0	0	111	V311 W312 V321 I337 F339 T410 F411 L426 F432	V311-F323 CarbonylContact O-C 3.58Å; V311-F323 WeakPolarHBondContact O-CA 3.43Å; W312-F323 HydrophobicContact CB-CD1 3.6Å; W312-F323 HydrophobicContact CB-CE1 3.62Å; W312-F323 HydrophobicContact CB-CG 4.32Å; W312-F323 HydrophobicContact CB-CZ 4.36Å; W312-F323 HydrophobicContact CG-CD1 4.46Å; W312-F323 HydrophobicContact CG-CE1 4.16Å; V321-F323 HydrophobicContact CB-CE2 3.82Å; V321-F323 HydrophobicContact CB-CZ 4.34Å; V321-F323 HydrophobicContact CG1-CD2 4.06Å; V321-F323 HydrophobicContact CG1-CE1 4.32Å; V321-F323 HydrophobicContact CG1-CE2 3.41Å; V321-F323 VanDerWaalsContact CG1-CE2 3.41Å; V321-F323 HydrophobicContact CG1-CZ 3.56Å; F323-I337 HydrophobicContact CD1-CD1 4.06Å; F323-I337 HydrophobicContact CE1-CD1 4.22Å; F323-F339 HydrophobicContact CD1-CZ 4.38Å; F323-F339 AromaticContact CE1-CE1 3.72Å; F323-F339 HydrophobicContact CE1-CE1 3.72Å; F323-F339 AromaticContact CE1-CZ 3.65Å; F323-F339 HydrophobicContact CE1-CZ 3.65Å; F323-F339 HydrophobicContact CE2-CZ 4.01Å; F323-F339 AromaticContact CZ-CE1 3.65Å; F323-F339 HydrophobicContact CZ-CE1 3.65Å; F323-F339 AromaticContact CZ-CZ 3.44Å; F323-F339 HydrophobicContact CZ-CZ 3.44Å; F323-F339 VanDerWaalsContact CZ-CZ 3.44Å; F323-T410 VanDerWaalsContact O-CA 3.25Å; F323-T410 WeakPolarHBondContact O-CA 3.4Å; F323-T410 WeakPolarHBondContact O-CG2 3.35Å; F323-F411 HydrophobicContact CB-CD1 4.2Å; F323-F411 HydrophobicContact CB-CD2 4.3Å; F323-F411 HydrophobicContact CB-CE1 3.69Å; F323-F411 HydrophobicContact CB-CE2 3.8Å; F323-F411 HydrophobicContact CB-CG 4.48Å; F323-F411 HydrophobicContact CB-CZ 3.47Å; F323-F411 VanDerWaalsContact CB-CZ 3.47Å; F323-F411 HydrophobicContact CD2-CD2 4.2Å; F323-F411 AromaticContact CD2-CE2 3.51Å; F323-F411 HydrophobicContact CD2-CE2 3.51Å; F323-F411 AromaticContact CD2-CZ 3.91Å; F323-F411 HydrophobicContact CD2-CZ 3.91Å; F323-F411 HydrophobicContact CE2-CE2 4.34Å; F323-F411 HydrophobicContact CG-CE1 4.45Å; F323-F411 AromaticContact CG-CE2 3.86Å; F323-F411 HydrophobicContact CG-CE2 3.86Å; F323-F411 AromaticContact CG-CZ 3.75Å; F323-F411 HydrophobicContact CG-CZ 3.75Å; F323-F411 PolarHBondContact N-O 2.9Å; F323-F411 PolarHBondContact O-N 3.16Å; F323-F411 VanDerWaalsContact O-N 3.08Å; F323-L426 HydrophobicContact CE2-CD1 3.97Å; F323-L426 HydrophobicContact CZ-CD1 4.05Å; F323-F432 AromaticContact CE1-CE2 3.95Å; F323-F432 HydrophobicContact CE1-CE2 3.95Å; F323-F432 HydrophobicContact CE1-CZ 4.38Å
324	T	97	Very high	90	Very high	41 Å²	41	53.4 Å²	53.4	25%	0.252	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114.7	170.4	-64.9	0	0	0	0	109	A310 V311 T408 I409 T410	A310-T324 CarbonylContact C-O 3.57Å; A310-T324 WeakPolarHBondContact CA-O 3.47Å; V311-T324 PolarHBondContact N-O 2.97Å; V311-T324 PolarHBondContact O-N 2.87Å; T324-T408 HydrophobicContact CG2-CG2 3.66Å; T324-I409 WeakPolarHBondContact CA-O 3.46Å; T324-T410 PolarHBondContact OG1-OG1 2.87Å
325	V	96.4	Very high	90.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.8	-177.9	-178.7	0	0	0	0	109	Y308 Q309 A310 T335 I337 T408 I409	Y308-V325 HydrophobicContact CD2-CG1 4.5Å; Y308-V325 HydrophobicContact CE2-CG1 3.58Å; Y308-V325 WeakPolarHBondContact OH-CG1 2.91Å; Q309-V325 CarbonylContact O-C 3.5Å; Q309-V325 WeakPolarHBondContact O-CA 3.18Å; A310-V325 HydrophobicContact CB-CG2 4.26Å; V325-T335 HydrophobicContact CG1-CG2 4.21Å; V325-I337 HydrophobicContact CG2-CB 4.14Å; V325-I337 HydrophobicContact CG2-CG2 4.21Å; V325-T408 CarbonylContact O-C 3.45Å; V325-T408 VanDerWaalsContact O-CA 3.31Å; V325-T408 WeakPolarHBondContact O-CA 3.19Å; V325-I409 HydrophobicContact CB-CD1 4.41Å; V325-I409 HydrophobicContact CB-CG1 3.88Å; V325-I409 PolarHBondContact N-O 3.3Å; V325-I409 PolarHBondContact O-N 3.4Å
326	S	94.6	Very high	90.5	Very high	15 Å²	15	48.7 Å²	48.7	11%	0.105	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.2	177.5	-55.8	0	0	0	0	110.9	Y308 Q309 Q407 T408	Y308-S326 CarbonylContact C-O 3.49Å; Y308-S326 WeakPolarHBondContact CA-O 3.22Å; Q309-S326 PolarHBondContact N-O 3.36Å; Q309-S326 PolarHBondContact O-N 2.86Å; S326-Q407 CarbonylContact C-O 3.45Å; S326-Q407 WeakPolarHBondContact CA-O 3.2Å; S326-T408 WeakPolarHBondContact OG-CB 3.4Å; S326-T408 VanDerWaalsContact OG-CG2 3.27Å; S326-T408 WeakPolarHBondContact OG-CG2 3.17Å; S326-T408 PolarHBondContact OG-OG1 3.39Å
327	S	93.9	Very high	91.1	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.6	175.4	58	0	0	0	0	112.6	E307 T335 V406 Q407	E307-S327 CarbonylContact O-C 3.53Å; E307-S327 WeakPolarHBondContact O-CA 3.28Å; S327-T335 WeakPolarHBondContact CB-OG1 3.49Å; S327-T335 WeakPolarHBondContact OG-CB 3.47Å; S327-T335 PolarHBondContact OG-OG1 3.04Å; S327-V406 WeakPolarHBondContact O-CA 3.37Å; S327-Q407 PolarHBondContact N-O 3.43Å; S327-Q407 PolarHBondContact O-N 2.77Å
328	R	91.4	Very high	91.5	Very high	117 Å²	117	34 Å²	34	44%	0.442	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.6	175.9	-171	-178	-59.1	-69.7	0.2	109.5	D304 D305 E307 G405	D304-R328 PolarHBondContact O-NH2 3.02Å; D305-R328 PolarHBondContact O-NH2 2.89Å; E307-R328 PolarHBondContact O-N 3.22Å; R328-G405 WeakPolarHBondContact CA-O 3.33Å
329	T	89.7	Confident	91.8	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.098	15%	0.154	C	C	.	.			trans	-156.5	162.6	-175.7	-178.8	0	0	0	0	111.7	G331 R333 F402 G405 Q407	T329-G331 VanDerWaalsContact C-N 3.25Å; T329-G331 PolarHBondContact OG1-N 2.88Å; T329-R333 WeakPolarHBondContact OG1-CB 3.36Å; T329-F402 HydrophobicContact CG2-CD2 4.39Å; T329-F402 HydrophobicContact CG2-CE2 3.9Å; T329-F402 WeakPolarHBondContact O-CE2 3.11Å; T329-G405 PolarHBondContact N-O 3.07Å; T329-G405 CarbonylContact O-C 3.54Å; T329-Q407 HydrophobicContact CG2-CB 3.55Å
330	D	85.6	Confident	91.6	Very high	102 Å²	102	28.1 Å²	28.1	55%	0.545	14%	0.137	S	C	.	.			trans	-85.6	4.7	172.6	70.3	-17.3	0	0	0	113.1	K332	D330-K332 WeakPolarHBondContact OD1-CB 3.06Å; D330-K332 PolarHBondContact OD1-N 3.48Å
331	G	83.3	Confident	90.8	Very high	11 Å²	11	27.4 Å²	27.4	11%	0.113	13%	0.133	C	C	.	.	S	Bend	trans	87	6.3	-178.6	0	0	0	0	0	114.2	T329	T329-G331 VanDerWaalsContact C-N 3.25Å; T329-G331 PolarHBondContact OG1-N 2.88Å
332	K	84.5	Confident	89.3	Confident	127 Å²	127	28.7 Å²	28.7	55%	0.552	14%	0.141	S	C	*	.	S	Bend	trans	-112.5	11.6	179.7	-59.8	-179.7	-179.5	176.4	0	113.4	D330 L441	D330-K332 WeakPolarHBondContact OD1-CB 3.06Å; D330-K332 PolarHBondContact OD1-N 3.48Å; K332-L441 PolarHBondContact O-N 2.7Å
333	R	90.7	Very high	87.6	Confident	42 Å²	42	27 Å²	27	16%	0.158	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.8	-174.9	-51.8	177.5	59	78	9.2	109.9	T329 G437 G438 G439 D460	T329-R333 WeakPolarHBondContact OG1-CB 3.36Å; R333-G437 PolarHBondContact NE-O 3.06Å; R333-G437 PolarHBondContact NH2-O 2.75Å; R333-G438 VanDerWaalsContact NH2-C 3.31Å; R333-G438 PolarHBondContact NH2-O 3.45Å; R333-G439 CarbonylContact C-O 3.55Å; R333-G439 WeakPolarHBondContact CA-O 3.46Å; R333-G439 VanDerWaalsContact CB-O 3.3Å; R333-G439 WeakPolarHBondContact CB-O 3.19Å; R333-D460 IonicContact CZ-OD1 3.47Å; R333-D460 IonicContact NH1-OD1 3.19Å; R333-D460 PolarHBondContact NH1-OD1 3.39Å; R333-D460 IonicContact NH1-OD2 3.02Å; R333-D460 PolarHBondContact NH1-OD2 2.5Å; R333-D460 IonicContact NH2-OD1 3.1Å; R333-D460 PolarHBondContact NH2-OD1 2.81Å
334	W	91.8	Very high	85.4	Confident	23 Å²	23	27.1 Å²	27.1	9%	0.087	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	158.1	171.2	59.5	-98.4	0	0	0	110.3	I366 G367 W368 P435 G438 G439 L441 V456 G457 H459	W334-I366 HydrophobicContact CE3-CB 4.37Å; W334-I366 HydrophobicContact CE3-CG2 4.16Å; W334-I366 HydrophobicContact CZ3-CG2 4.27Å; W334-G367 WeakPolarHBondContact CA-O 3.07Å; W334-W368 HydrophobicContact CB-CE3 4.12Å; W334-P435 HydrophobicContact CH2-CB 4.28Å; W334-P435 HydrophobicContact CZ3-CB 3.97Å; W334-P435 HydrophobicContact CZ3-CG 4.11Å; W334-G438 WeakPolarHBondContact O-CA 3.35Å; W334-G439 VanDerWaalsContact CD1-C 3.47Å; W334-G439 VanDerWaalsContact CE2-CA 3.4Å; W334-G439 PolarHBondContact N-O 3.39Å; W334-G439 VanDerWaalsContact NE1-C 3.28Å; W334-G439 PolarHBondContact NE1-O 2.8Å; W334-L441 HydrophobicContact CB-CD2 4.23Å; W334-V456 HydrophobicContact CG-CB 4.42Å; W334-V456 HydrophobicContact CG-CG1 4.38Å; W334-G457 VanDerWaalsContact CE2-O 3.31Å; W334-G457 WeakPolarHBondContact CZ2-O 3.38Å; W334-G457 PolarHBondContact NE1-O 2.75Å; W334-H459 HydrophobicContact CH2-CB 4.28Å; W334-H459 HydrophobicContact CZ2-CB 4.42Å
335	T	94.4	Very high	82.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	172.4	168.8	-162	0	0	0	0	108.3	V325 S327 I366 G367 I409	V325-T335 HydrophobicContact CG1-CG2 4.21Å; S327-T335 WeakPolarHBondContact CB-OG1 3.49Å; S327-T335 WeakPolarHBondContact OG-CB 3.47Å; S327-T335 PolarHBondContact OG-OG1 3.04Å; T335-I366 CarbonylContact O-C 3.49Å; T335-I366 WeakPolarHBondContact O-CA 3.49Å; T335-G367 PolarHBondContact N-O 2.9Å; T335-G367 PolarHBondContact O-N 2.89Å; T335-I409 HydrophobicContact CG2-CD1 3.65Å; T335-I409 HydrophobicContact CG2-CG1 3.83Å; T335-I409 HydrophobicContact CG2-CG2 4.37Å
336	G	94.1	Very high	79.8	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	-172.7	178.4	0	0	0	0	0	112.6	Y308 V365 P435	Y308-G336 PolarHBondContact OH-O 2.62Å; G336-V365 CarbonylContact C-O 3.55Å; G336-V365 WeakPolarHBondContact CA-O 2.89Å; G336-P435 WeakPolarHBondContact O-CD 3.07Å; G336-P435 WeakPolarHBondContact O-CG 2.96Å
337	I	95	Very high	76.7	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	147.8	171.1	-170.9	169.9	0	0	0	107.5	A310 F323 V325 F339 V365 F411 F432 F434	A310-I337 HydrophobicContact CB-CD1 4.18Å; F323-I337 HydrophobicContact CD1-CD1 4.06Å; F323-I337 HydrophobicContact CE1-CD1 4.22Å; V325-I337 HydrophobicContact CG2-CB 4.14Å; V325-I337 HydrophobicContact CG2-CG2 4.21Å; I337-F339 HydrophobicContact CG2-CZ 4.19Å; I337-V365 PolarHBondContact N-O 2.83Å; I337-V365 PolarHBondContact O-N 2.83Å; I337-F411 HydrophobicContact CG2-CE1 4.19Å; I337-F411 HydrophobicContact CG2-CZ 3.69Å; I337-F432 HydrophobicContact CD1-CD2 3.87Å; I337-F432 HydrophobicContact CD1-CE2 4.36Å; I337-F434 HydrophobicContact CD1-CD1 4.47Å; I337-F434 HydrophobicContact CD1-CE1 4.11Å; I337-F434 HydrophobicContact CG1-CD1 4.44Å; I337-F434 HydrophobicContact CG1-CE1 4.46Å
338	G	91.9	Very high	73.7	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	164.4	173.9	0	0	0	0	0	112.9	D363 F432 L433	G338-D363 CarbonylContact C-O 3.6Å; G338-D363 WeakPolarHBondContact CA-O 3.31Å; G338-F432 CarbonylContact O-C 3.59Å; G338-F432 WeakPolarHBondContact O-CA 3.25Å; G338-L433 PolarHBondContact N-O 2.89Å; G338-L433 PolarHBondContact O-N 2.86Å
339	F	90	Very high	70.7	Confident	1 Å²	1	42 Å²	42	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136	-179.5	-48	-78.1	0	0	0	108.5	F323 I337 S362 D363 L424 L426 L430 Y431 F432	F323-F339 HydrophobicContact CD1-CZ 4.38Å; F323-F339 AromaticContact CE1-CE1 3.72Å; F323-F339 HydrophobicContact CE1-CE1 3.72Å; F323-F339 AromaticContact CE1-CZ 3.65Å; F323-F339 HydrophobicContact CE1-CZ 3.65Å; F323-F339 HydrophobicContact CE2-CZ 4.01Å; F323-F339 AromaticContact CZ-CE1 3.65Å; F323-F339 HydrophobicContact CZ-CE1 3.65Å; F323-F339 AromaticContact CZ-CZ 3.44Å; F323-F339 HydrophobicContact CZ-CZ 3.44Å; F323-F339 VanDerWaalsContact CZ-CZ 3.44Å; I337-F339 HydrophobicContact CG2-CZ 4.19Å; F339-S362 VanDerWaalsContact O-CA 3.28Å; F339-S362 WeakPolarHBondContact O-CA 3.26Å; F339-S362 WeakPolarHBondContact O-CB 3.46Å; F339-D363 HydrophobicContact CB-CB 4.39Å; F339-D363 HydrophobicContact CD2-CB 4.37Å; F339-D363 PolarHBondContact N-O 2.68Å; F339-D363 PolarHBondContact O-N 3.19Å; F339-D363 VanDerWaalsContact O-N 3.13Å; F339-L424 HydrophobicContact CB-CD1 4.33Å; F339-L424 WeakPolarHBondContact O-CD1 3.32Å; F339-L426 HydrophobicContact CD1-CD2 3.8Å; F339-L426 HydrophobicContact CD2-CD2 4.32Å; F339-L426 HydrophobicContact CE1-CD2 3.85Å; F339-L426 HydrophobicContact CE2-CD2 4.37Å; F339-L426 HydrophobicContact CG-CD2 4.05Å; F339-L426 HydrophobicContact CZ-CD2 4.15Å; F339-L430 HydrophobicContact CB-CD1 4Å; F339-Y431 CarbonylContact C-O 3.56Å; F339-Y431 WeakPolarHBondContact CA-O 3.47Å; F339-F432 AromaticContact CD1-CD1 3.75Å; F339-F432 HydrophobicContact CD1-CD1 3.75Å; F339-F432 AromaticContact CD1-CE1 3.6Å; F339-F432 HydrophobicContact CD1-CE1 3.6Å; F339-F432 HydrophobicContact CD1-CE2 4.44Å; F339-F432 HydrophobicContact CD1-CG 4.24Å; F339-F432 AromaticContact CD1-CZ 3.96Å; F339-F432 HydrophobicContact CD1-CZ 3.96Å; F339-F432 HydrophobicContact CE1-CD1 4.17Å; F339-F432 HydrophobicContact CE1-CD2 4.24Å; F339-F432 AromaticContact CE1-CE1 3.84Å; F339-F432 HydrophobicContact CE1-CE1 3.84Å; F339-F432 AromaticContact CE1-CE2 3.91Å; F339-F432 HydrophobicContact CE1-CE2 3.91Å; F339-F432 HydrophobicContact CE1-CG 4.37Å; F339-F432 AromaticContact CE1-CZ 3.69Å; F339-F432 HydrophobicContact CE1-CZ 3.69Å
340	S	82.1	Confident	67.8	Low	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.5	-178.9	175.4	0	0	0	0	110.1	T342 G343 Y431	S340-T342 PolarHBondContact O-N 2.77Å; S340-T342 PolarHBondContact OG-N 3.3Å; S340-T342 PolarHBondContact OG-OG1 3.03Å; S340-G343 PolarHBondContact OG-N 3.47Å; S340-Y431 PolarHBondContact N-O 2.84Å; S340-Y431 WeakPolarHBondContact O-CA 3.3Å; S340-Y431 WeakPolarHBondContact O-CB 3.34Å; S340-Y431 PolarHBondContact O-N 2.79Å
341	R	73	Confident	65.4	Low	29 Å²	29	53.1 Å²	53.1	11%	0.109	26%	0.263	C	S	.	.	S	Bend	trans	-68.2	-22.3	174.4	-72.2	179.6	171.2	132	-3.6	113.2	S140 L424 E428 L430 Y431	S140-R341 PolarHBondContact OG-NH1 3.43Å; S140-R341 VanDerWaalsContact OG-NH1 3.16Å; R341-L424 HydrophobicContact CG-CD1 4.41Å; R341-L424 HydrophobicContact CG-CD2 4.34Å; R341-E428 IonicContact CZ-OE1 2.77Å; R341-E428 IonicContact CZ-OE2 3.48Å; R341-E428 IonicContact NE-OE1 3.89Å; R341-E428 IonicContact NE-OE2 2.68Å; R341-E428 PolarHBondContact NE-OE2 2.88Å; R341-E428 IonicContact NH2-OE1 3.19Å; R341-E428 PolarHBondContact NH2-OE1 2.87Å; R341-E428 IonicContact NH2-OE2 2.82Å; R341-E428 PolarHBondContact NH2-OE2 3.44Å; R341-L430 HydrophobicContact CG-CD2 3.72Å; R341-Y431 WeakPolarHBondContact O-CD2 3.24Å
342	T	62.4	Low	62.8	Low	26 Å²	26	61.5 Å²	61.5	16%	0.16	30%	0.3	C	S	.	.	S	Bend	trans	-122.1	1	-168.7	53.4	0	0	0	0	114.1	F121 S340 S344 L360 Y431	F121-T342 HydrophobicContact CD2-CG2 3.59Å; F121-T342 HydrophobicContact CE2-CG2 3.44Å; F121-T342 VanDerWaalsContact CE2-CG2 3.44Å; F121-T342 HydrophobicContact CG-CG2 4.35Å; F121-T342 HydrophobicContact CZ-CG2 4.05Å; S340-T342 PolarHBondContact O-N 2.77Å; S340-T342 PolarHBondContact OG-N 3.3Å; S340-T342 PolarHBondContact OG-OG1 3.03Å; T342-S344 WeakPolarHBondContact CB-OG 3.35Å; T342-S344 PolarHBondContact O-N 2.94Å; T342-S344 PolarHBondContact O-OG 2.82Å; T342-S344 WeakPolarHBondContact OG1-CB 3.35Å; T342-S344 PolarHBondContact OG1-OG 2.73Å; T342-S344 VanDerWaalsContact OG1-OG 3.08Å; T342-L360 HydrophobicContact CG2-CD1 4.23Å; T342-L360 HydrophobicContact CG2-CD2 3.32Å; T342-L360 HydrophobicContact CG2-CG 4.29Å; T342-L360 WeakPolarHBondContact OG1-CB 3.32Å; T342-L360 WeakPolarHBondContact OG1-CD1 3.33Å; T342-L360 WeakPolarHBondContact OG1-CD2 3.45Å; T342-L360 VanDerWaalsContact OG1-CG 3.23Å; T342-L360 WeakPolarHBondContact OG1-CG 3.4Å; T342-Y431 VanDerWaalsContact C-CD2 3.44Å
343	G	59.9	Low	60.2	Low	7 Å²	7	64 Å²	64	7%	0.072	31%	0.313	C	S	.	.			trans	63	27.6	179.7	0	0	0	0	0	113	S340 M345 Y431 V466	S340-G343 PolarHBondContact OG-N 3.47Å; G343-M345 PolarHBondContact O-N 3.16Å; G343-Y431 VanDerWaalsContact N-CG 3.29Å; G343-V466 WeakPolarHBondContact O-CG1 3.35Å; G343-V466 VanDerWaalsContact O-CG2 3.24Å; G343-V466 WeakPolarHBondContact O-CG2 3.14Å
344	S	50.9	Low	57.4	Low	5 Å²	5	66.8 Å²	66.8	4%	0.035	34%	0.335	C	S	.	.			trans	-103.7	73.9	-164.1	-74	0	0	0	0	110.6	T342 L358 L360	T342-S344 WeakPolarHBondContact CB-OG 3.35Å; T342-S344 PolarHBondContact O-N 2.94Å; T342-S344 PolarHBondContact O-OG 2.82Å; T342-S344 WeakPolarHBondContact OG1-CB 3.35Å; T342-S344 PolarHBondContact OG1-OG 2.73Å; T342-S344 VanDerWaalsContact OG1-OG 3.08Å; S344-L358 CarbonylContact C-O 3.52Å; S344-L358 VanDerWaalsContact C-O 3.32Å; S344-L358 WeakPolarHBondContact OG-CB 3.49Å; S344-L360 VanDerWaalsContact OG-CD1 3.28Å; S344-L360 WeakPolarHBondContact OG-CD1 3.35Å
345	M	43.4	Very low	54.5	Low	47 Å²	47	72.7 Å²	72.7	23%	0.232	36%	0.363	C	S	.	.	S	Bend	trans	-139	99.9	153	-79.7	-145.9	-82.9	0	0	105.9	G343 I364 L433 P464 V466	G343-M345 PolarHBondContact O-N 3.16Å; M345-I364 HydrophobicContact CE-CD1 4.2Å; M345-L433 HydrophobicContact CB-CD1 4.43Å; M345-L433 HydrophobicContact CB-CD2 4.24Å; M345-L433 HydrophobicContact CE-CB 3.84Å; M345-L433 HydrophobicContact CE-CD1 3.24Å; M345-L433 HydrophobicContact CE-CG 4.09Å; M345-L433 HydrophobicContact CG-CD1 4Å; M345-L433 HydrophobicContact SD-CD1 4.39Å; M345-P464 HydrophobicContact CE-CB 4.34Å; M345-P464 HydrophobicContact CE-CG 4.2Å; M345-P464 HydrophobicContact SD-CG 4.3Å; M345-V466 WeakPolarHBondContact O-CG2 3.2Å
346	A	32.6	Very low	51.5	Low	32 Å²	32	76 Å²	76	26%	0.264	38%	0.38	S	S	.	.			trans	51.8	91.7	166.5	0	0	0	0	0	117.3	Q463	A346-Q463 HydrophobicContact CB-CB 3.84Å; A346-Q463 HydrophobicContact CB-CG 4.08Å
347	I	31	Very low	48.5	Very low	119 Å²	119	77.4 Å²	77.4	61%	0.61	39%	0.389	S	S	*	.			trans	-109.5	95.2	150.8	-62.6	177.3	0	0	0	107.4	V466	I347-V466 HydrophobicContact CD1-CB 4.13Å; I347-V466 HydrophobicContact CD1-CG2 4.48Å; I347-V466 HydrophobicContact CG1-CB 4.21Å; I347-V466 HydrophobicContact CG1-CG2 4.09Å
348	E	29.8	Very low	45.7	Very low	149 Å²	149	79.1 Å²	79.1	70%	0.696	40%	0.398	S	S	*	.			trans	-96.3	109.7	154.2	-174.5	175.6	-168.9	0	0	105.9
349	L	29.4	Very low	43.4	Very low	144 Å²	144	79.8 Å²	79.8	75%	0.754	40%	0.401	S	S	*	.			trans	178.8	114.6	147.5	-93.9	160.8	0	0	0	111.7
350	L	28.6	Very low	41.7	Very low	142 Å²	142	80.8 Å²	80.8	74%	0.743	41%	0.406	S	S	*	.			trans	63.5	84.2	149.2	-67.4	159.1	0	0	0	118.1
351	F	34.7	Very low	40.9	Very low	208 Å²	208	82 Å²	82	91%	0.912	41%	0.413	S	S	*	.				-161.9	142	117.7	-86.2	-69.9	0	0	0	108.1	E353	F351-E353 PolarHBondContact O-N 3.1Å
352	Q	27.8	Very low	41.1	Very low	188 Å²	188	80.6 Å²	80.6	88%	0.879	41%	0.408	S	S	*	.	S	Bend	trans	-47	133.2	178.5	-109.5	161.1	-51.1	0	0	111.9
353	E	31.7	Very low	42.3	Very low	178 Å²	178	79.4 Å²	79.4	83%	0.832	40%	0.4	S	S	*	.	S	Bend	trans	73.7	81.1	172.7	-53.8	177	-178.9	0	0	115.2	F351	F351-E353 PolarHBondContact O-N 3.1Å
354	V	30.9	Very low	43.7	Very low	102 Å²	102	79.8 Å²	79.8	62%	0.618	40%	0.4	S	S	*	.			trans	161.5	110.9	145.2	162.4	0	0	0	0	107.9	L356	V354-L356 HydrophobicContact CG1-CD1 3.73Å; V354-L356 HydrophobicContact CG1-CG 4.12Å
355	H	31.8	Very low	45.8	Very low	146 Å²	146	79.5 Å²	79.5	68%	0.676	40%	0.399	S	S	*	.			trans	-104.3	101.1	178.8	-76.7	78.1	0	0	0	109.5
356	L	31.4	Very low	48.1	Very low	69 Å²	69	77.5 Å²	77.5	36%	0.361	39%	0.389	S	S	.	.			trans	-120.5	110.9	177.8	-85.9	160	0	0	0	110.9	V354 L358	V354-L356 HydrophobicContact CG1-CD1 3.73Å; V354-L356 HydrophobicContact CG1-CG 4.12Å; L356-L358 HydrophobicContact CB-CD1 4.07Å
357	P	30.8	Very low	51	Low	30 Å²	30	76 Å²	76	20%	0.195	38%	0.376	C	S	.	.			trans	-100.2	104.9	163.5	34.9	-24.1	0	0	0	108.1	R125 C130 T131	R125-P357 PolarHBondContact NH1-O 2.79Å; C130-P357 WeakPolarHBondContact O-CD 3.44Å; T131-P357 VanDerWaalsContact CB-CG 3.45Å; T131-P357 HydrophobicContact CG2-CG 3.62Å
358	L	36	Very low	54	Low	37 Å²	37	70.3 Å²	70.3	19%	0.194	35%	0.347	C	S	.	.			trans	-86.8	128.5	-179.8	-69.9	120.9	0	0	0	111	E123 S344 L356 L360	E123-L358 WeakPolarHBondContact OE1-CD2 3.27Å; E123-L358 WeakPolarHBondContact OE2-CD2 3.2Å; S344-L358 CarbonylContact C-O 3.52Å; S344-L358 VanDerWaalsContact C-O 3.32Å; S344-L358 WeakPolarHBondContact OG-CB 3.49Å; L356-L358 HydrophobicContact CB-CD1 4.07Å; L358-L360 HydrophobicContact CB-CD1 3.78Å; L358-L360 HydrophobicContact CD2-CD1 3.85Å; L358-L360 HydrophobicContact CG-CD1 4.49Å
359	Q	42.3	Very low	56.9	Low	17 Å²	17	63.4 Å²	63.4	8%	0.079	32%	0.315	C	S	.	.			trans	-99.2	110.1	169.7	-53.8	-164.7	46.1	0	0	106.2	H136 E153 K384	H136-Q359 PolarHBondContact CE1-O 2.85Å; E153-Q359 PolarHBondContact OE1-NE2 2.84Å; Q359-K384 VanDerWaalsContact CD-CD 3.44Å; Q359-K384 VanDerWaalsContact CD-CG 3.45Å; Q359-K384 HydrophobicContact CG-CD 3.75Å; Q359-K384 HydrophobicContact CG-CG 3.67Å; Q359-K384 VanDerWaalsContact OE1-CB 3.31Å
360	L	55.2	Low	59.6	Low	21 Å²	21	57.6 Å²	57.6	11%	0.11	28%	0.284	C	S	.	.			trans	-125.5	144.3	172.8	-85.4	99.5	0	0	0	112.6	T342 S344 L358 S362	T342-L360 HydrophobicContact CG2-CD1 4.23Å; T342-L360 HydrophobicContact CG2-CD2 3.32Å; T342-L360 HydrophobicContact CG2-CG 4.29Å; T342-L360 WeakPolarHBondContact OG1-CB 3.32Å; T342-L360 WeakPolarHBondContact OG1-CD1 3.33Å; T342-L360 WeakPolarHBondContact OG1-CD2 3.45Å; T342-L360 VanDerWaalsContact OG1-CG 3.23Å; T342-L360 WeakPolarHBondContact OG1-CG 3.4Å; S344-L360 VanDerWaalsContact OG-CD1 3.28Å; S344-L360 WeakPolarHBondContact OG-CD1 3.35Å; L358-L360 HydrophobicContact CB-CD1 3.78Å; L358-L360 HydrophobicContact CD2-CD1 3.85Å; L358-L360 HydrophobicContact CG-CD1 4.49Å; L360-S362 PolarHBondContact O-N 2.82Å; L360-S362 PolarHBondContact O-OG 2.77Å
361	N	65.3	Low	62.2	Low	26 Å²	26	57 Å²	57	14%	0.139	28%	0.281	C	S	.	.			trans	-38.2	110.1	162.2	-76	7.1	0	0	0	108.5	F380 A381	N361-F380 HydrophobicContact CB-CE1 3.92Å; N361-F380 HydrophobicContact CB-CE2 4.37Å; N361-F380 HydrophobicContact CB-CZ 3.55Å; N361-A381 WeakPolarHBondContact CA-O 3.36Å
362	S	76.8	Confident	64.5	Low	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.3	-178	-58.4	0	0	0	0	107.9	F339 L360 F380 A381 L433	F339-S362 VanDerWaalsContact O-CA 3.28Å; F339-S362 WeakPolarHBondContact O-CA 3.26Å; F339-S362 WeakPolarHBondContact O-CB 3.46Å; L360-S362 PolarHBondContact O-N 2.82Å; L360-S362 PolarHBondContact O-OG 2.77Å; S362-F380 WeakPolarHBondContact O-CD2 3.3Å; S362-A381 PolarHBondContact N-O 2.78Å; S362-A381 VanDerWaalsContact N-O 3.15Å; S362-A381 PolarHBondContact O-N 3.18Å; S362-L433 WeakPolarHBondContact OG-CD1 3.15Å
363	D	87.7	Confident	67.2	Low	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.1	170.1	164.7	-12.1	0	0	0	107.1	G338 F339 F380 R413 L424	G338-D363 CarbonylContact C-O 3.6Å; G338-D363 WeakPolarHBondContact CA-O 3.31Å; F339-D363 HydrophobicContact CB-CB 4.39Å; F339-D363 HydrophobicContact CD2-CB 4.37Å; F339-D363 PolarHBondContact N-O 2.68Å; F339-D363 PolarHBondContact O-N 3.19Å; F339-D363 VanDerWaalsContact O-N 3.13Å; D363-F380 HydrophobicContact CB-CD2 4.34Å; D363-F380 HydrophobicContact CB-CE2 4.46Å; D363-R413 IonicContact OD1-CZ 2.66Å; D363-R413 IonicContact OD1-NH1 3.3Å; D363-R413 PolarHBondContact OD1-NH1 2.76Å; D363-R413 IonicContact OD2-CZ 3.6Å; D363-R413 IonicContact OD2-NH1 2.72Å; D363-R413 PolarHBondContact OD2-NH1 2.89Å; D363-R413 IonicContact OD2-NH2 2.69Å; D363-R413 PolarHBondContact OD2-NH2 2.55Å; D363-L424 HydrophobicContact CB-CB 4.17Å; D363-L424 HydrophobicContact CB-CD1 4.26Å; D363-L424 HydrophobicContact CB-CG 3.92Å; D363-L424 PolarHBondContact OD2-N 3.43Å
364	I	89.7	Confident	70	Confident	15 Å²	15	39.7 Å²	39.7	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.7	-165.6	-56.8	177.4	0	0	0	110.2	M345 I366 R379 A381 P387	M345-I364 HydrophobicContact CE-CD1 4.2Å; I364-I366 HydrophobicContact CG2-CG2 3.55Å; I364-R379 CarbonylContact C-O 3.53Å; I364-R379 WeakPolarHBondContact CA-O 3.04Å; I364-R379 PolarHBondContact N-O 2.82Å; I364-R379 CarbonylContact O-C 3.42Å; I364-R379 WeakPolarHBondContact O-CA 3.42Å; I364-R379 VanDerWaalsContact O-CB 3.31Å; I364-R379 WeakPolarHBondContact O-CB 3.37Å; I364-R379 PolarHBondContact O-N 3.43Å; I364-A381 HydrophobicContact CD1-CB 3.51Å; I364-A381 HydrophobicContact CG1-CB 4.48Å; I364-P387 HydrophobicContact CD1-CB 4.28Å; I364-P387 HydrophobicContact CD1-CG 3.87Å
365	V	94.3	Very high	72.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.9	167.3	-175.9	0	0	0	0	109.2	G336 I337 I376 I395 F411	G336-V365 CarbonylContact C-O 3.55Å; G336-V365 WeakPolarHBondContact CA-O 2.89Å; I337-V365 PolarHBondContact N-O 2.83Å; I337-V365 PolarHBondContact O-N 2.83Å; V365-I376 HydrophobicContact CG1-CG2 3.56Å; V365-I395 HydrophobicContact CG1-CD1 4.23Å; V365-I395 HydrophobicContact CG1-CG2 4.47Å; V365-I395 HydrophobicContact CG2-CG2 3.93Å; V365-F411 HydrophobicContact CB-CE1 3.97Å; V365-F411 HydrophobicContact CB-CE2 3.94Å; V365-F411 HydrophobicContact CB-CZ 3.55Å; V365-F411 HydrophobicContact CG1-CD1 3.82Å; V365-F411 HydrophobicContact CG1-CD2 4.12Å; V365-F411 HydrophobicContact CG1-CE1 3.54Å; V365-F411 HydrophobicContact CG1-CE2 3.87Å; V365-F411 HydrophobicContact CG1-CG 4.1Å; V365-F411 HydrophobicContact CG1-CZ 3.57Å; V365-F411 HydrophobicContact CG2-CD2 4.42Å; V365-F411 HydrophobicContact CG2-CE2 3.7Å; V365-F411 HydrophobicContact CG2-CZ 3.82Å
366	I	92.7	Very high	75.7	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	155	174	71	173	0	0	0	111.4	W334 T335 I364 I376 T377 R379 V456	W334-I366 HydrophobicContact CE3-CB 4.37Å; W334-I366 HydrophobicContact CE3-CG2 4.16Å; W334-I366 HydrophobicContact CZ3-CG2 4.27Å; T335-I366 CarbonylContact O-C 3.49Å; T335-I366 WeakPolarHBondContact O-CA 3.49Å; I364-I366 HydrophobicContact CG2-CG2 3.55Å; I366-I376 CarbonylContact O-C 3.5Å; I366-I376 WeakPolarHBondContact O-CA 3.13Å; I366-T377 WeakPolarHBondContact CG1-OG1 3.44Å; I366-T377 PolarHBondContact N-O 2.74Å; I366-T377 VanDerWaalsContact N-O 3.08Å; I366-T377 PolarHBondContact O-N 2.99Å; I366-R379 VanDerWaalsContact CD1-CD 3.49Å; I366-R379 HydrophobicContact CG1-CG 4.39Å; I366-V456 HydrophobicContact CD1-CB 4.14Å; I366-V456 HydrophobicContact CD1-CG1 3.7Å; I366-V456 HydrophobicContact CD1-CG2 3.85Å
367	G	93.2	Very high	78.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	167.4	172.6	0	0	0	0	0	114.7	W334 T335 V375 Q407	W334-G367 WeakPolarHBondContact CA-O 3.07Å; T335-G367 PolarHBondContact N-O 2.9Å; T335-G367 PolarHBondContact O-N 2.89Å; G367-V375 CarbonylContact C-O 3.55Å; G367-V375 WeakPolarHBondContact CA-O 2.7Å; G367-Q407 PolarHBondContact O-NE2 3.47Å
368	W	93.2	Very high	81.4	Confident	1 Å²	1	25 Å²	25	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	164.7	176.5	61.5	94	0	0	0	111.5	W334 A374 V375 L441 F449 S451 A454 V456	W334-W368 HydrophobicContact CB-CE3 4.12Å; W368-A374 WeakPolarHBondContact O-CA 3.11Å; W368-V375 HydrophobicContact CD2-CB 4.17Å; W368-V375 HydrophobicContact CH2-CB 4.19Å; W368-V375 HydrophobicContact CH2-CG1 3.63Å; W368-V375 HydrophobicContact CZ2-CB 3.68Å; W368-V375 HydrophobicContact CZ2-CG1 3.48Å; W368-V375 VanDerWaalsContact CZ2-CG1 3.48Å; W368-V375 HydrophobicContact CZ2-CG2 4.19Å; W368-V375 HydrophobicContact CZ3-CG1 4.28Å; W368-V375 PolarHBondContact N-O 3.15Å; W368-V375 PolarHBondContact O-N 3.1Å; W368-L441 HydrophobicContact CB-CD1 3.85Å; W368-L441 HydrophobicContact CD2-CD1 4.01Å; W368-L441 HydrophobicContact CD2-CD2 3.72Å; W368-L441 HydrophobicContact CE3-CD2 3.86Å; W368-L441 HydrophobicContact CG-CD1 3.51Å; W368-L441 HydrophobicContact CG-CD2 4.12Å; W368-L441 HydrophobicContact CG-CG 4.43Å; W368-L441 HydrophobicContact CZ2-CD2 4.42Å; W368-L441 HydrophobicContact CZ3-CD2 4.29Å; W368-F449 PolarHBondContact NE1-O 3.29Å; W368-S451 WeakPolarHBondContact CZ2-O 3.14Å; W368-A454 HydrophobicContact CH2-CB 3.89Å; W368-A454 HydrophobicContact CZ2-CB 3.6Å; W368-V456 HydrophobicContact CH2-CG1 4.49Å; W368-V456 HydrophobicContact CZ3-CG1 3.98Å
369	V	91.6	Very high	83.8	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.3	-179.5	-177.4	0	0	0	0	109	Q373 A374 F402 Q407 I409	V369-Q373 CarbonylContact C-O 3.54Å; V369-Q373 VanDerWaalsContact CA-O 3.31Å; V369-Q373 WeakPolarHBondContact CA-O 2.95Å; V369-A374 HydrophobicContact CG2-CB 4.11Å; V369-F402 HydrophobicContact CB-CB 4.21Å; V369-F402 HydrophobicContact CG1-CB 3.97Å; V369-Q407 HydrophobicContact CB-CG 3.95Å; V369-Q407 HydrophobicContact CG2-CG 3.64Å; V369-I409 HydrophobicContact CG2-CG2 4.2Å
370	H	85.9	Confident	85.6	Confident	22 Å²	22	23.1 Å²	23.1	10%	0.102	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	177.3	-173.1	79.9	0	0	0	109.6	G372 Q373 D446 F449 L450	H370-G372 PolarHBondContact O-N 3.43Å; H370-G372 VanDerWaalsContact O-N 3.11Å; H370-Q373 PolarHBondContact N-O 2.88Å; H370-Q373 PolarHBondContact O-N 3.4Å; H370-Q373 VanDerWaalsContact O-O 3.14Å; H370-D446 IonicContact CE1-OD1 2.98Å; H370-D446 IonicContact NE2-OD1 3.37Å; H370-F449 HydrophobicContact CB-CB 3.99Å; H370-F449 HydrophobicContact CB-CD1 4.15Å; H370-F449 HydrophobicContact CB-CG 4.34Å; H370-F449 AromaticContact CE1-CD2 3.66Å; H370-F449 AromaticContact CE1-CG 3.72Å; H370-F449 AromaticContact CG-CD1 3.87Å; H370-F449 AromaticContact CG-CG 3.73Å; H370-F449 AromaticContact ND1-CD1 3.52Å; H370-F449 AromaticContact ND1-CD2 3.9Å; H370-F449 AromaticContact ND1-CE1 3.92Å; H370-F449 AromaticContact ND1-CG 3.51Å; H370-L450 HydrophobicContact CB-CD2 4.45Å
371	N	83.8	Confident	86.3	Confident	128 Å²	128	22.3 Å²	22.3	68%	0.684	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	36.5	-179.2	-66.2	-25.4	0	0	0	114.8	Q373	N371-Q373 PolarHBondContact O-N 2.78Å
372	G	82.9	Confident	85.9	Confident	62 Å²	62	22.5 Å²	22.5	64%	0.639	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	1.6	-179	0	0	0	0	0	114.8	H370	H370-G372 PolarHBondContact O-N 3.43Å; H370-G372 VanDerWaalsContact O-N 3.11Å
373	Q	85.1	Confident	85	Confident	112 Å²	112	23.1 Å²	23.1	52%	0.523	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.2	172.2	-61.6	-176.4	24.2	0	0	109.5	V369 H370 N371 L450	V369-Q373 CarbonylContact C-O 3.54Å; V369-Q373 VanDerWaalsContact CA-O 3.31Å; V369-Q373 WeakPolarHBondContact CA-O 2.95Å; H370-Q373 PolarHBondContact N-O 2.88Å; H370-Q373 PolarHBondContact O-N 3.4Å; H370-Q373 VanDerWaalsContact O-O 3.14Å; N371-Q373 PolarHBondContact O-N 2.78Å; Q373-L450 HydrophobicContact CB-CD2 3.76Å; Q373-L450 HydrophobicContact CG-CD2 4.46Å
374	A	89.2	Confident	83.4	Confident	38 Å²	38	27.6 Å²	27.6	31%	0.314	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134	177.9	0	0	0	0	0	110.1	W368 V369 I376 G400	W368-A374 WeakPolarHBondContact O-CA 3.11Å; V369-A374 HydrophobicContact CG2-CB 4.11Å; A374-I376 HydrophobicContact CB-CG1 4.49Å; A374-G400 VanDerWaalsContact CB-N 3.33Å
375	V	90.2	Very high	81.8	Confident	16 Å²	16	29.2 Å²	29.2	10%	0.097	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.4	167.6	-177.3	0	0	0	0	106.2	G367 W368 T377	G367-V375 CarbonylContact C-O 3.55Å; G367-V375 WeakPolarHBondContact CA-O 2.7Å; W368-V375 HydrophobicContact CD2-CB 4.17Å; W368-V375 HydrophobicContact CH2-CB 4.19Å; W368-V375 HydrophobicContact CH2-CG1 3.63Å; W368-V375 HydrophobicContact CZ2-CB 3.68Å; W368-V375 HydrophobicContact CZ2-CG1 3.48Å; W368-V375 VanDerWaalsContact CZ2-CG1 3.48Å; W368-V375 HydrophobicContact CZ2-CG2 4.19Å; W368-V375 HydrophobicContact CZ3-CG1 4.28Å; W368-V375 PolarHBondContact N-O 3.15Å; W368-V375 PolarHBondContact O-N 3.1Å; V375-T377 HydrophobicContact CG1-CG2 4.34Å
376	I	93.4	Very high	80.3	Confident	21 Å²	21	32 Å²	32	11%	0.108	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.8	178.1	-51	178.2	0	0	0	106.3	V365 I366 A374 I395 V398 I409 T410 F411	V365-I376 HydrophobicContact CG1-CG2 3.56Å; I366-I376 CarbonylContact O-C 3.5Å; I366-I376 WeakPolarHBondContact O-CA 3.13Å; A374-I376 HydrophobicContact CB-CG1 4.49Å; I376-I395 HydrophobicContact CB-CD1 4.31Å; I376-I395 HydrophobicContact CG2-CD1 3.74Å; I376-V398 HydrophobicContact CB-CG1 4.38Å; I376-V398 HydrophobicContact CD1-CB 4.08Å; I376-V398 HydrophobicContact CD1-CG1 4.33Å; I376-I409 HydrophobicContact CD1-CB 3.77Å; I376-I409 HydrophobicContact CD1-CG2 4.27Å; I376-I409 HydrophobicContact CG1-CB 4.23Å; I376-I409 HydrophobicContact CG1-CG2 4.27Å; I376-T410 WeakPolarHBondContact CD1-O 3.45Å; I376-F411 HydrophobicContact CG2-CD1 4.29Å
377	T	90.4	Very high	79.2	Confident	2 Å²	2	33 Å²	33	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.2	-176	58.6	0	0	0	0	110	I366 V375 R379	I366-T377 WeakPolarHBondContact CG1-OG1 3.44Å; I366-T377 PolarHBondContact N-O 2.74Å; I366-T377 VanDerWaalsContact N-O 3.08Å; I366-T377 PolarHBondContact O-N 2.99Å; V375-T377 HydrophobicContact CG1-CG2 4.34Å; T377-R379 PolarHBondContact OG1-NE 2.78Å
378	D	90.7	Very high	77.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.4	167	-148.8	-8.9	0	0	0	110.4	D390 Q393 D394 I395	D378-D390 HydrophobicContact CB-CB 4.11Å; D378-D390 PolarHBondContact O-N 2.68Å; D378-Q393 PolarHBondContact O-NE2 3.1Å; D378-D394 PolarHBondContact OD2-N 3.13Å; D378-I395 HydrophobicContact CB-CD1 4.45Å; D378-I395 HydrophobicContact CB-CG1 4.35Å; D378-I395 HydrophobicContact CB-CG2 4.36Å
379	R	86.9	Confident	76.9	Confident	9 Å²	9	36.1 Å²	36.1	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.7	-170.3	-59.1	-166.6	176	-120.7	-1.4	111.8	I364 I366 T377 P387 A388 S452	I364-R379 CarbonylContact C-O 3.53Å; I364-R379 WeakPolarHBondContact CA-O 3.04Å; I364-R379 PolarHBondContact N-O 2.82Å; I364-R379 CarbonylContact O-C 3.42Å; I364-R379 WeakPolarHBondContact O-CA 3.42Å; I364-R379 VanDerWaalsContact O-CB 3.31Å; I364-R379 WeakPolarHBondContact O-CB 3.37Å; I364-R379 PolarHBondContact O-N 3.43Å; I366-R379 VanDerWaalsContact CD1-CD 3.49Å; I366-R379 HydrophobicContact CG1-CG 4.39Å; T377-R379 PolarHBondContact OG1-NE 2.78Å; R379-P387 HydrophobicContact CB-CB 3.77Å; R379-P387 PolarHBondContact NH1-O 3.36Å; R379-A388 CarbonylContact C-O 3.49Å; R379-A388 WeakPolarHBondContact CA-O 3.28Å; R379-A388 WeakPolarHBondContact CB-O 3.33Å; R379-S452 PolarHBondContact NH2-O 3.26Å
380	F	79.1	Confident	76.1	Confident	4 Å²	4	36 Å²	36	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.9	174.1	-162.5	-111.3	0	0	0	112.6	N361 S362 D363 Y382 P387 A388 E422	N361-F380 HydrophobicContact CB-CE1 3.92Å; N361-F380 HydrophobicContact CB-CE2 4.37Å; N361-F380 HydrophobicContact CB-CZ 3.55Å; S362-F380 WeakPolarHBondContact O-CD2 3.3Å; D363-F380 HydrophobicContact CB-CD2 4.34Å; D363-F380 HydrophobicContact CB-CE2 4.46Å; F380-Y382 AromaticContact CD1-CD1 3.8Å; F380-Y382 HydrophobicContact CD1-CD1 3.8Å; F380-Y382 AromaticContact CD1-CD2 3.89Å; F380-Y382 HydrophobicContact CD1-CD2 3.89Å; F380-Y382 AromaticContact CD1-CE1 3.6Å; F380-Y382 HydrophobicContact CD1-CE1 3.6Å; F380-Y382 AromaticContact CD1-CE2 3.68Å; F380-Y382 HydrophobicContact CD1-CE2 3.68Å; F380-Y382 AromaticContact CD1-CG 3.96Å; F380-Y382 HydrophobicContact CD1-CG 3.96Å; F380-Y382 AromaticContact CD1-CZ 3.54Å; F380-Y382 AromaticContact CE1-CD1 3.73Å; F380-Y382 HydrophobicContact CE1-CD1 3.73Å; F380-Y382 AromaticContact CE1-CE1 3.58Å; F380-Y382 HydrophobicContact CE1-CE1 3.58Å; F380-Y382 HydrophobicContact CE1-CE2 4.49Å; F380-Y382 HydrophobicContact CE1-CG 4.29Å; F380-Y382 AromaticContact CE1-CZ 3.99Å; F380-P387 CarbonylContact O-C 3.53Å; F380-P387 WeakPolarHBondContact O-CA 3.47Å; F380-A388 PolarHBondContact N-O 3.33Å; F380-A388 PolarHBondContact O-N 3.15Å; F380-E422 HydrophobicContact CB-CB 3.9Å; F380-E422 HydrophobicContact CB-CG 4.08Å; F380-E422 HydrophobicContact CD1-CG 4.24Å; F380-E422 HydrophobicContact CD2-CB 4.17Å; F380-E422 WeakPolarHBondContact CD2-O 3.37Å; F380-E422 WeakPolarHBondContact CE2-O 3.14Å; F380-E422 HydrophobicContact CG-CB 3.98Å; F380-E422 HydrophobicContact CG-CG 4.14Å
381	A	70.4	Confident	75.2	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	105.1	175.3	0	0	0	0	0	110.8	N361 S362 I364 G383 P387	N361-A381 WeakPolarHBondContact CA-O 3.36Å; S362-A381 PolarHBondContact N-O 2.78Å; S362-A381 VanDerWaalsContact N-O 3.15Å; S362-A381 PolarHBondContact O-N 3.18Å; I364-A381 HydrophobicContact CD1-CB 3.51Å; I364-A381 HydrophobicContact CG1-CB 4.48Å; A381-G383 PolarHBondContact O-N 3.31Å; A381-G383 VanDerWaalsContact O-N 3.1Å; A381-P387 HydrophobicContact CB-CB 4.29Å; A381-P387 HydrophobicContact CB-CG 4.22Å
382	Y	57.1	Low	74.8	Confident	30 Å²	30	41 Å²	41	12%	0.118	22%	0.22	C	C	.	.	S	Bend	trans	-74	13.5	172.7	-67.8	-80.2	0	0	0	114.3	A225 F380 A388 E422	A225-Y382 HydrophobicContact CB-CD1 4.08Å; A225-Y382 HydrophobicContact CB-CE1 3.92Å; F380-Y382 AromaticContact CD1-CD1 3.8Å; F380-Y382 HydrophobicContact CD1-CD1 3.8Å; F380-Y382 AromaticContact CD1-CD2 3.89Å; F380-Y382 HydrophobicContact CD1-CD2 3.89Å; F380-Y382 AromaticContact CD1-CE1 3.6Å; F380-Y382 HydrophobicContact CD1-CE1 3.6Å; F380-Y382 AromaticContact CD1-CE2 3.68Å; F380-Y382 HydrophobicContact CD1-CE2 3.68Å; F380-Y382 AromaticContact CD1-CG 3.96Å; F380-Y382 HydrophobicContact CD1-CG 3.96Å; F380-Y382 AromaticContact CD1-CZ 3.54Å; F380-Y382 AromaticContact CE1-CD1 3.73Å; F380-Y382 HydrophobicContact CE1-CD1 3.73Å; F380-Y382 AromaticContact CE1-CE1 3.58Å; F380-Y382 HydrophobicContact CE1-CE1 3.58Å; F380-Y382 HydrophobicContact CE1-CE2 4.49Å; F380-Y382 HydrophobicContact CE1-CG 4.29Å; F380-Y382 AromaticContact CE1-CZ 3.99Å; Y382-A388 HydrophobicContact CD2-CB 4.46Å; Y382-A388 HydrophobicContact CE2-CB 4.32Å; Y382-E422 PolarHBondContact OH-OE1 3.22Å
383	G	57.1	Low	74.9	Confident	13 Å²	13	41.7 Å²	41.7	13%	0.134	21%	0.207	C	C	.	.	S	Bend	trans	147	-153.8	-173.5	0	0	0	0	0	112.9	A381 H385	A381-G383 PolarHBondContact O-N 3.31Å; A381-G383 VanDerWaalsContact O-N 3.1Å; G383-H385 PolarHBondContact O-N 3.28Å
384	K	53.9	Low	74.8	Confident	94 Å²	94	38.2 Å²	38.2	41%	0.409	19%	0.192	S	C	.	.	S	Bend	trans	-74.7	17.2	178.6	-78.1	170.9	-174.5	170.1	0	114.5	T131 Q359	T131-K384 PolarHBondContact O-NZ 3.3Å; Q359-K384 VanDerWaalsContact CD-CD 3.44Å; Q359-K384 VanDerWaalsContact CD-CG 3.45Å; Q359-K384 HydrophobicContact CG-CD 3.75Å; Q359-K384 HydrophobicContact CG-CG 3.67Å; Q359-K384 VanDerWaalsContact OE1-CB 3.31Å
385	H	56.1	Low	74.9	Confident	49 Å²	49	37.4 Å²	37.4	23%	0.227	18%	0.182	C	C	.	.	S	Bend	trans	-94.3	170.7	-178.9	-63.7	-67.7	0	0	0	111.4	E153 R223 G383 P387	E153-H385 IonicContact OE2-NE2 3.25Å; R223-H385 PolarHBondContact NE-CD2 2.86Å; R223-H385 VanDerWaalsContact NE-CD2 3.3Å; R223-H385 PolarHBondContact NE-NE2 2.76Å; R223-H385 PolarHBondContact NH2-CE1 2.76Å; R223-H385 PolarHBondContact NH2-NE2 3.4Å; G383-H385 PolarHBondContact O-N 3.28Å; H385-P387 WeakPolarHBondContact O-CD 3.42Å
386	Q	63.4	Low	75	Confident	57 Å²	57	40 Å²	40	27%	0.266	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-56.9	125.2	171.1	-171.9	173.1	38.1	0	0	108.6	A388 V456	Q386-A388 PolarHBondContact O-N 3.06Å; Q386-V456 HydrophobicContact CG-CG2 4.02Å; Q386-V456 PolarHBondContact NE2-O 2.93Å
387	P	69.7	Low	74.8	Confident	27 Å²	27	43.2 Å²	43.2	18%	0.175	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-57.2	124.3	178.4	-24.6	33.8	0	0	0	110.1	I364 R379 F380 A381 H385	I364-P387 HydrophobicContact CD1-CB 4.28Å; I364-P387 HydrophobicContact CD1-CG 3.87Å; R379-P387 HydrophobicContact CB-CB 3.77Å; R379-P387 PolarHBondContact NH1-O 3.36Å; F380-P387 CarbonylContact O-C 3.53Å; F380-P387 WeakPolarHBondContact O-CA 3.47Å; A381-P387 HydrophobicContact CB-CB 4.29Å; A381-P387 HydrophobicContact CB-CG 4.22Å; H385-P387 WeakPolarHBondContact O-CD 3.42Å
388	A	64.9	Low	74.9	Confident	14 Å²	14	47.1 Å²	47.1	12%	0.116	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	142.7	177.5	0	0	0	0	0	108.8	R379 F380 Y382 Q386 D390	R379-A388 CarbonylContact C-O 3.49Å; R379-A388 WeakPolarHBondContact CA-O 3.28Å; R379-A388 WeakPolarHBondContact CB-O 3.33Å; F380-A388 PolarHBondContact N-O 3.33Å; F380-A388 PolarHBondContact O-N 3.15Å; Y382-A388 HydrophobicContact CD2-CB 4.46Å; Y382-A388 HydrophobicContact CE2-CB 4.32Å; Q386-A388 PolarHBondContact O-N 3.06Å; A388-D390 PolarHBondContact O-N 3.27Å
389	I	74	Confident	75	Confident	51 Å²	51	49.9 Å²	49.9	26%	0.262	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.4	172.1	-63.3	175.8	0	0	0	107	K391 K453	I389-K391 PolarHBondContact O-N 3.49Å; I389-K453 HydrophobicContact CD1-CG 4.42Å
390	D	73	Confident	75.3	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-61.6	135	178.4	-166.4	-40.9	0	0	0	109.5	D378 A388 F392 Q393 D419 E422	D378-D390 HydrophobicContact CB-CB 4.11Å; D378-D390 PolarHBondContact O-N 2.68Å; A388-D390 PolarHBondContact O-N 3.27Å; D390-F392 PolarHBondContact O-N 2.84Å; D390-F392 PolarHBondContact OD1-N 2.84Å; D390-Q393 PolarHBondContact O-NE2 3.41Å; D390-D419 VanDerWaalsContact OD1-OD2 3.11Å; D390-E422 WeakPolarHBondContact CA-OE2 3.14Å; D390-E422 WeakPolarHBondContact OD2-CB 3.34Å
391	K	67.1	Low	76	Confident	156 Å²	156	55.6 Å²	55.6	68%	0.678	28%	0.28	S	S	*	.	S	Bend	trans	-59.8	-37.1	176.2	-176.2	-179.6	176.2	-174.6	0	111.6	I389 E422	I389-K391 PolarHBondContact O-N 3.49Å; K391-E422 PolarHBondContact N-OE2 2.86Å
392	F	77.2	Confident	77	Confident	98 Å²	98	59.3 Å²	59.3	43%	0.43	30%	0.295	S	S	.	.	S	Bend	trans	-109.2	103.6	178.2	-61.7	-80.1	0	0	0	108.9	D390 D394 D419	D390-F392 PolarHBondContact O-N 2.84Å; D390-F392 PolarHBondContact OD1-N 2.84Å; F392-D394 VanDerWaalsContact C-N 3.32Å; F392-D394 PolarHBondContact O-N 2.02Å; F392-D419 HydrophobicContact CB-CB 4.06Å; F392-D419 HydrophobicContact CD2-CB 4.02Å; F392-D419 VanDerWaalsContact CD2-OD2 3.3Å; F392-D419 WeakPolarHBondContact CD2-OD2 3.41Å; F392-D419 HydrophobicContact CG-CB 4.36Å
393	Q	84.1	Confident	78.6	Confident	77 Å²	77	63.8 Å²	63.8	36%	0.36	32%	0.317	S	S	.	.			trans	-76	85.5	176	-63.5	-69.8	-62.7	0	0	109.5	D378 D390 I395	D378-Q393 PolarHBondContact O-NE2 3.1Å; D390-Q393 PolarHBondContact O-NE2 3.41Å; Q393-I395 PolarHBondContact O-N 3.4Å
394	D	83.2	Confident	80.1	Confident	39 Å²	39	70 Å²	70	21%	0.209	35%	0.347	C	S	.	.			trans	-85.5	12.3	-173.1	-74.5	-23.8	0	0	0	113.5	D378 F392 T417	D378-D394 PolarHBondContact OD2-N 3.13Å; F392-D394 VanDerWaalsContact C-N 3.32Å; F392-D394 PolarHBondContact O-N 2.02Å; D394-T417 HydrophobicContact CB-CG2 3.9Å; D394-T417 WeakPolarHBondContact OD2-CB 3.36Å
395	I	91.4	Very high	81.8	Confident	21 Å²	21	66.8 Å²	66.8	11%	0.108	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	145.3	170	62.2	172.1	0	0	0	113.1	V365 I376 D378 Q393 V398 F411 S412 R413	V365-I395 HydrophobicContact CG1-CD1 4.23Å; V365-I395 HydrophobicContact CG1-CG2 4.47Å; V365-I395 HydrophobicContact CG2-CG2 3.93Å; I376-I395 HydrophobicContact CB-CD1 4.31Å; I376-I395 HydrophobicContact CG2-CD1 3.74Å; D378-I395 HydrophobicContact CB-CD1 4.45Å; D378-I395 HydrophobicContact CB-CG1 4.35Å; D378-I395 HydrophobicContact CB-CG2 4.36Å; Q393-I395 PolarHBondContact O-N 3.4Å; I395-V398 HydrophobicContact CD1-CG1 4.25Å; I395-V398 HydrophobicContact CG1-CG1 4.48Å; I395-F411 HydrophobicContact CB-CD2 4.38Å; I395-F411 HydrophobicContact CG2-CD2 3.87Å; I395-F411 HydrophobicContact CG2-CE2 4.34Å; I395-S412 CarbonylContact C-O 3.56Å; I395-S412 VanDerWaalsContact CA-O 3.32Å; I395-S412 WeakPolarHBondContact CA-O 3.02Å; I395-R413 HydrophobicContact CG2-CB 4.49Å
396	F	91.6	Very high	83.5	Confident	70 Å²	70	65.1 Å²	65.1	31%	0.307	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	-176.8	177.5	59.7	-83.6	0	0	0	111.8	K320 V398 F411 S412 N414	K320-F396 HydrophobicContact CD-CE2 3.36Å; K320-F396 HydrophobicContact CD-CZ 3.53Å; K320-F396 HydrophobicContact CG-CE2 4.08Å; K320-F396 HydrophobicContact CG-CZ 3.71Å; F396-V398 PolarHBondContact O-N 3.44Å; F396-F411 CarbonylContact O-C 3.56Å; F396-S412 WeakPolarHBondContact CD1-O 3.45Å; F396-S412 PolarHBondContact N-O 3.04Å; F396-S412 PolarHBondContact O-N 3.33Å; F396-N414 WeakPolarHBondContact CE1-OD1 3.15Å; F396-N414 WeakPolarHBondContact CZ-OD1 3.44Å
397	D	89.5	Confident	85	Confident	89 Å²	89	62.4 Å²	62.4	48%	0.476	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.4	38.8	-174.8	-66.6	-21.5	0	0	0	113.5	K320	K320-D397 IonicContact NZ-OD2 3.39Å; K320-D397 PolarHBondContact NZ-OD2 2.73Å
398	V	91.7	Very high	86.2	Confident	83 Å²	83	61.4 Å²	61.4	50%	0.503	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.9	-174.4	-64.2	0	0	0	0	112.4	I376 I395 F396 T410 F411	I376-V398 HydrophobicContact CB-CG1 4.38Å; I376-V398 HydrophobicContact CD1-CB 4.08Å; I376-V398 HydrophobicContact CD1-CG1 4.33Å; I395-V398 HydrophobicContact CD1-CG1 4.25Å; I395-V398 HydrophobicContact CG1-CG1 4.48Å; F396-V398 PolarHBondContact O-N 3.44Å; V398-T410 CarbonylContact C-O 3.55Å; V398-T410 VanDerWaalsContact CA-O 3.31Å; V398-T410 WeakPolarHBondContact CA-O 3.42Å; V398-F411 HydrophobicContact CG1-CB 4.05Å
399	S	93.6	Very high	87.6	Confident	59 Å²	59	60.8 Å²	60.8	41%	0.413	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	159.6	171.4	61.8	0	0	0	0	111	I409 T410	S399-I409 CarbonylContact O-C 3.52Å; S399-I409 WeakPolarHBondContact O-CA 3.37Å; S399-T410 PolarHBondContact N-O 3.39Å; S399-T410 PolarHBondContact O-N 3.08Å
400	G	92.6	Very high	88.7	Confident	21 Å²	21	59.4 Å²	59.4	22%	0.216	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	159.4	171.7	0	0	0	0	0	112.8	A374 T408	A374-G400 VanDerWaalsContact CB-N 3.33Å; G400-T408 CarbonylContact C-O 3.49Å; G400-T408 WeakPolarHBondContact CA-O 3.34Å
401	R	94.2	Very high	89.9	Confident	112 Å²	112	59.3 Å²	59.3	42%	0.423	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.4	-178.3	60.5	180	-176.5	-79.8	-1.6	110.1	Q407 T408	R401-Q407 CarbonylContact O-C 3.56Å; R401-Q407 WeakPolarHBondContact O-CA 3Å; R401-T408 PolarHBondContact N-O 2.96Å; R401-T408 PolarHBondContact NH2-OG1 3Å; R401-T408 PolarHBondContact O-N 3.31Å
402	F	92.4	Very high	91.3	Very high	82 Å²	82	51.9 Å²	51.9	36%	0.36	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	109.3	173.6	-179.2	-107.4	0	0	0	108.9	T329 V369 V406 Q407	T329-F402 HydrophobicContact CG2-CD2 4.39Å; T329-F402 HydrophobicContact CG2-CE2 3.9Å; T329-F402 WeakPolarHBondContact O-CE2 3.11Å; V369-F402 HydrophobicContact CB-CB 4.21Å; V369-F402 HydrophobicContact CG1-CB 3.97Å; F402-V406 WeakPolarHBondContact CA-O 3.49Å; F402-Q407 HydrophobicContact CD2-CB 3.92Å
403	E	90.6	Very high	92.1	Very high	124 Å²	124	47.3 Å²	47.3	58%	0.579	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.2	-175.3	-66.3	-178.3	-172.4	0	0	110	G405 V406	E403-G405 PolarHBondContact O-N 3.48Å; E403-G405 VanDerWaalsContact O-N 3.13Å; E403-V406 PolarHBondContact N-O 3.16Å; E403-V406 PolarHBondContact O-N 2.88Å
404	N	88.1	Confident	92.3	Very high	143 Å²	143	46.7 Å²	46.7	77%	0.765	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.4	176.7	-56.1	-38.5	0	0	0	114.9	V406	N404-V406 VanDerWaalsContact C-N 3.26Å; N404-V406 PolarHBondContact O-N 1.98Å
405	G	89.7	Confident	92.5	Very high	27 Å²	27	45 Å²	45	28%	0.278	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	13.7	-177.9	0	0	0	0	0	114.2	R328 T329 E403	R328-G405 WeakPolarHBondContact CA-O 3.33Å; T329-G405 PolarHBondContact N-O 3.07Å; T329-G405 CarbonylContact O-C 3.54Å; E403-G405 PolarHBondContact O-N 3.48Å; E403-G405 VanDerWaalsContact O-N 3.13Å
406	V	92.2	Very high	92	Very high	15 Å²	15	46.6 Å²	46.6	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.6	175.3	-178	0	0	0	0	108.4	S327 F402 E403 N404	S327-V406 WeakPolarHBondContact O-CA 3.37Å; F402-V406 WeakPolarHBondContact CA-O 3.49Å; E403-V406 PolarHBondContact N-O 3.16Å; E403-V406 PolarHBondContact O-N 2.88Å; N404-V406 VanDerWaalsContact C-N 3.26Å; N404-V406 PolarHBondContact O-N 1.98Å
407	Q	93.6	Very high	91.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.2	169.7	-176.1	176.2	-87.7	0	0	108.7	S326 S327 T329 G367 V369 R401 F402	S326-Q407 CarbonylContact C-O 3.45Å; S326-Q407 WeakPolarHBondContact CA-O 3.2Å; S327-Q407 PolarHBondContact N-O 3.43Å; S327-Q407 PolarHBondContact O-N 2.77Å; T329-Q407 HydrophobicContact CG2-CB 3.55Å; G367-Q407 PolarHBondContact O-NE2 3.47Å; V369-Q407 HydrophobicContact CB-CG 3.95Å; V369-Q407 HydrophobicContact CG2-CG 3.64Å; R401-Q407 CarbonylContact O-C 3.56Å; R401-Q407 WeakPolarHBondContact O-CA 3Å; F402-Q407 HydrophobicContact CD2-CB 3.92Å
408	T	94.8	Very high	90.8	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.2	169.8	-55.5	0	0	0	0	109.7	T324 V325 S326 G400 R401	T324-T408 HydrophobicContact CG2-CG2 3.66Å; V325-T408 CarbonylContact O-C 3.45Å; V325-T408 VanDerWaalsContact O-CA 3.31Å; V325-T408 WeakPolarHBondContact O-CA 3.19Å; S326-T408 WeakPolarHBondContact OG-CB 3.4Å; S326-T408 VanDerWaalsContact OG-CG2 3.27Å; S326-T408 WeakPolarHBondContact OG-CG2 3.17Å; S326-T408 PolarHBondContact OG-OG1 3.39Å; G400-T408 CarbonylContact C-O 3.49Å; G400-T408 WeakPolarHBondContact CA-O 3.34Å; R401-T408 PolarHBondContact N-O 2.96Å; R401-T408 PolarHBondContact NH2-OG1 3Å; R401-T408 PolarHBondContact O-N 3.31Å
409	I	95.9	Very high	89.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.4	168.4	63.1	173	0	0	0	109.3	T324 V325 T335 V369 I376 S399	T324-I409 WeakPolarHBondContact CA-O 3.46Å; V325-I409 HydrophobicContact CB-CD1 4.41Å; V325-I409 HydrophobicContact CB-CG1 3.88Å; V325-I409 PolarHBondContact N-O 3.3Å; V325-I409 PolarHBondContact O-N 3.4Å; T335-I409 HydrophobicContact CG2-CD1 3.65Å; T335-I409 HydrophobicContact CG2-CG1 3.83Å; T335-I409 HydrophobicContact CG2-CG2 4.37Å; V369-I409 HydrophobicContact CG2-CG2 4.2Å; I376-I409 HydrophobicContact CD1-CB 3.77Å; I376-I409 HydrophobicContact CD1-CG2 4.27Å; I376-I409 HydrophobicContact CG1-CB 4.23Å; I376-I409 HydrophobicContact CG1-CG2 4.27Å; S399-I409 CarbonylContact O-C 3.52Å; S399-I409 WeakPolarHBondContact O-CA 3.37Å
410	T	97	Very high	88.4	Confident	22 Å²	22	41.9 Å²	41.9	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.5	177.5	-64.5	0	0	0	0	108.4	T322 F323 T324 I376 V398 S399	T322-T410 HydrophobicContact CG2-CG2 4.11Å; F323-T410 VanDerWaalsContact O-CA 3.25Å; F323-T410 WeakPolarHBondContact O-CA 3.4Å; F323-T410 WeakPolarHBondContact O-CG2 3.35Å; T324-T410 PolarHBondContact OG1-OG1 2.87Å; I376-T410 WeakPolarHBondContact CD1-O 3.45Å; V398-T410 CarbonylContact C-O 3.55Å; V398-T410 VanDerWaalsContact CA-O 3.31Å; V398-T410 WeakPolarHBondContact CA-O 3.42Å; S399-T410 PolarHBondContact N-O 3.39Å; S399-T410 PolarHBondContact O-N 3.08Å
411	F	97	Very high	87	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	162.8	177.4	63.5	-88.1	0	0	0	109.5	T322 F323 I337 V365 I376 I395 F396 V398	T322-F411 CarbonylContact C-O 3.58Å; F323-F411 HydrophobicContact CB-CD1 4.2Å; F323-F411 HydrophobicContact CB-CD2 4.3Å; F323-F411 HydrophobicContact CB-CE1 3.69Å; F323-F411 HydrophobicContact CB-CE2 3.8Å; F323-F411 HydrophobicContact CB-CG 4.48Å; F323-F411 HydrophobicContact CB-CZ 3.47Å; F323-F411 VanDerWaalsContact CB-CZ 3.47Å; F323-F411 HydrophobicContact CD2-CD2 4.2Å; F323-F411 AromaticContact CD2-CE2 3.51Å; F323-F411 HydrophobicContact CD2-CE2 3.51Å; F323-F411 AromaticContact CD2-CZ 3.91Å; F323-F411 HydrophobicContact CD2-CZ 3.91Å; F323-F411 HydrophobicContact CE2-CE2 4.34Å; F323-F411 HydrophobicContact CG-CE1 4.45Å; F323-F411 AromaticContact CG-CE2 3.86Å; F323-F411 HydrophobicContact CG-CE2 3.86Å; F323-F411 AromaticContact CG-CZ 3.75Å; F323-F411 HydrophobicContact CG-CZ 3.75Å; F323-F411 PolarHBondContact N-O 2.9Å; F323-F411 PolarHBondContact O-N 3.16Å; F323-F411 VanDerWaalsContact O-N 3.08Å; I337-F411 HydrophobicContact CG2-CE1 4.19Å; I337-F411 HydrophobicContact CG2-CZ 3.69Å; V365-F411 HydrophobicContact CB-CE1 3.97Å; V365-F411 HydrophobicContact CB-CE2 3.94Å; V365-F411 HydrophobicContact CB-CZ 3.55Å; V365-F411 HydrophobicContact CG1-CD1 3.82Å; V365-F411 HydrophobicContact CG1-CD2 4.12Å; V365-F411 HydrophobicContact CG1-CE1 3.54Å; V365-F411 HydrophobicContact CG1-CE2 3.87Å; V365-F411 HydrophobicContact CG1-CG 4.1Å; V365-F411 HydrophobicContact CG1-CZ 3.57Å; V365-F411 HydrophobicContact CG2-CD2 4.42Å; V365-F411 HydrophobicContact CG2-CE2 3.7Å; V365-F411 HydrophobicContact CG2-CZ 3.82Å; I376-F411 HydrophobicContact CG2-CD1 4.29Å; I395-F411 HydrophobicContact CB-CD2 4.38Å; I395-F411 HydrophobicContact CG2-CD2 3.87Å; I395-F411 HydrophobicContact CG2-CE2 4.34Å; F396-F411 CarbonylContact O-C 3.56Å; V398-F411 HydrophobicContact CG1-CB 4.05Å
412	S	96.5	Very high	86	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.8	173.1	-58.9	0	0	0	0	110.9	V321 T322 I395 F396	V321-S412 CarbonylContact O-C 3.51Å; V321-S412 WeakPolarHBondContact O-CA 3.48Å; T322-S412 PolarHBondContact OG1-OG 2.8Å; I395-S412 CarbonylContact C-O 3.56Å; I395-S412 VanDerWaalsContact CA-O 3.32Å; I395-S412 WeakPolarHBondContact CA-O 3.02Å; F396-S412 WeakPolarHBondContact CD1-O 3.45Å; F396-S412 PolarHBondContact N-O 3.04Å; F396-S412 PolarHBondContact O-N 3.33Å
413	R	93.9	Very high	85.5	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.8	172.5	-179.4	160	155.9	-137.2	-22.3	109.6	V321 D363 I395 T417 D423 L424	V321-R413 PolarHBondContact N-O 3.13Å; V321-R413 PolarHBondContact O-N 2.77Å; D363-R413 IonicContact OD1-CZ 2.66Å; D363-R413 IonicContact OD1-NH1 3.3Å; D363-R413 PolarHBondContact OD1-NH1 2.76Å; D363-R413 IonicContact OD2-CZ 3.6Å; D363-R413 IonicContact OD2-NH1 2.72Å; D363-R413 PolarHBondContact OD2-NH1 2.89Å; D363-R413 IonicContact OD2-NH2 2.69Å; D363-R413 PolarHBondContact OD2-NH2 2.55Å; I395-R413 HydrophobicContact CG2-CB 4.49Å; R413-T417 HydrophobicContact CG-CG2 3.78Å; R413-T417 VanDerWaalsContact NE-CG2 3.3Å; R413-D423 IonicContact CZ-OD1 2.87Å; R413-D423 IonicContact CZ-OD2 3.49Å; R413-D423 VanDerWaalsContact CZ-OD2 3.26Å; R413-D423 IonicContact NE-OD1 2.67Å; R413-D423 PolarHBondContact NE-OD1 3.08Å; R413-D423 IonicContact NE-OD2 2.85Å; R413-D423 PolarHBondContact NE-OD2 3.24Å; R413-D423 IonicContact NH1-OD1 2.83Å; R413-D423 PolarHBondContact NH1-OD1 2.81Å; R413-D423 IonicContact NH2-OD1 3.33Å; R413-D423 PolarHBondContact NH2-OD1 3.38Å; R413-D423 IonicContact NH2-OD2 3.28Å; R413-D423 PolarHBondContact NH2-OD2 3.11Å; R413-L424 PolarHBondContact NH2-O 2.79Å
414	N	89.9	Confident	85.1	Confident	64 Å²	64	30.1 Å²	30.1	34%	0.342	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	155	175	-67.9	-17.2	0	0	0	110.5	D319 F396 T416	D319-N414 VanDerWaalsContact O-CA 3.32Å; D319-N414 WeakPolarHBondContact O-CA 3.27Å; F396-N414 WeakPolarHBondContact CE1-OD1 3.15Å; F396-N414 WeakPolarHBondContact CZ-OD1 3.44Å; N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 WeakPolarHBondContact CB-O 2.93Å; N414-T416 PolarHBondContact O-N 3.11Å
415	V	87.1	Confident	84.9	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.024	14%	0.136	C	C	.	.	S	Bend	trans	-62.2	-39.5	178.6	175.6	0	0	0	0	111.4	Y314 D319 V321 P425 L426 A427	Y314-V415 HydrophobicContact CD2-CG2 3.72Å; Y314-V415 HydrophobicContact CE2-CG2 3.21Å; D319-V415 PolarHBondContact O-N 2.83Å; D319-V415 WeakPolarHBondContact OD1-CB 3.37Å; D319-V415 VanDerWaalsContact OD1-CG2 3.28Å; D319-V415 WeakPolarHBondContact OD1-CG2 3.44Å; V321-V415 HydrophobicContact CG2-CG2 3.83Å; V415-P425 CarbonylContact O-C 3.43Å; V415-L426 HydrophobicContact CG1-CB 4.41Å; V415-L426 PolarHBondContact O-N 2.85Å; V415-A427 HydrophobicContact CG1-CB 3.64Å; V415-A427 VanDerWaalsContact CG1-N 3.27Å
416	T	80.6	Confident	84.8	Confident	54 Å²	54	22.7 Å²	22.7	33%	0.331	12%	0.123	S	C	.	.	S	Bend	trans	-122.6	129.6	171.6	-56.9	0	0	0	0	108.4	N414	N414-T416 VanDerWaalsContact C-N 3.27Å; N414-T416 WeakPolarHBondContact CB-O 2.93Å; N414-T416 PolarHBondContact O-N 3.11Å
417	T	82.3	Confident	84.3	Confident	13 Å²	13	24.2 Å²	24.2	8%	0.08	14%	0.137	C	C	.	.			trans	-106.2	175	178	63.3	0	0	0	0	110.8	D394 R413 H420 D423	D394-T417 HydrophobicContact CB-CG2 3.9Å; D394-T417 WeakPolarHBondContact OD2-CB 3.36Å; R413-T417 HydrophobicContact CG-CG2 3.78Å; R413-T417 VanDerWaalsContact NE-CG2 3.3Å; T417-H420 PolarHBondContact O-CE1 2.8Å; T417-D423 WeakPolarHBondContact CB-OD2 3.47Å; T417-D423 WeakPolarHBondContact CG2-OD2 3.32Å; T417-D423 WeakPolarHBondContact OG1-CB 3.07Å; T417-D423 VanDerWaalsContact OG1-CG 3.31Å; T417-D423 PolarHBondContact OG1-OD2 2.72Å
418	T	73.1	Confident	83.6	Confident	116 Å²	116	26.3 Å²	26.3	71%	0.712	15%	0.147	S	C	*	.	S	Bend	trans	-86.5	-17.2	179	46.6	0	0	0	0	113.1	H420	T418-H420 PolarHBondContact O-N 2.91Å
419	D	69.9	Low	83.1	Confident	15 Å²	15	27.8 Å²	27.8	8%	0.08	16%	0.157	C	C	.	.			trans	-89.4	77.7	175.2	-170	-10	0	0	0	112.9	D390 F392 R421 E422 D423	D390-D419 VanDerWaalsContact OD1-OD2 3.11Å; F392-D419 HydrophobicContact CB-CB 4.06Å; F392-D419 HydrophobicContact CD2-CB 4.02Å; F392-D419 VanDerWaalsContact CD2-OD2 3.3Å; F392-D419 WeakPolarHBondContact CD2-OD2 3.41Å; F392-D419 HydrophobicContact CG-CB 4.36Å; D419-R421 PolarHBondContact O-N 2.79Å; D419-R421 WeakPolarHBondContact OD1-CB 3.46Å; D419-R421 PolarHBondContact OD1-N 3.05Å; D419-E422 PolarHBondContact OD1-N 3.12Å; D419-E422 VanDerWaalsContact OD1-N 3.1Å; D419-D423 WeakPolarHBondContact O-CA 3.15Å; D419-D423 WeakPolarHBondContact O-CB 3.17Å; D419-D423 PolarHBondContact O-N 3.25Å
420	H	65.6	Low	82.7	Confident	58 Å²	58	27.8 Å²	27.8	27%	0.269	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-2	-180	-54.2	-62.8	0	0	0	115.7	T145 T417 T418	T145-H420 HydrophobicContact CG2-CB 3.28Å; T145-H420 VanDerWaalsContact CG2-CD2 3.42Å; T145-H420 WeakPolarHBondContact CG2-CD2 2.81Å; T145-H420 VanDerWaalsContact CG2-CG 3.49Å; T417-H420 PolarHBondContact O-CE1 2.8Å; T418-H420 PolarHBondContact O-N 2.91Å
421	R	61.6	Low	82.1	Confident	68 Å²	68	29.5 Å²	29.5	26%	0.257	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-45.2	-177.2	-178.8	-172.6	173.9	153.2	10.7	111.5	N210 D419	N210-R421 PolarHBondContact ND2-NH1 2.92Å; D419-R421 PolarHBondContact O-N 2.79Å; D419-R421 WeakPolarHBondContact OD1-CB 3.46Å; D419-R421 PolarHBondContact OD1-N 3.05Å
422	E	73.9	Confident	81.9	Confident	10 Å²	10	29.6 Å²	29.6	5%	0.047	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-14.7	-178.5	-63.2	-171.4	157.5	0	0	112	F380 Y382 D390 K391 D419	F380-E422 HydrophobicContact CB-CB 3.9Å; F380-E422 HydrophobicContact CB-CG 4.08Å; F380-E422 HydrophobicContact CD1-CG 4.24Å; F380-E422 HydrophobicContact CD2-CB 4.17Å; F380-E422 WeakPolarHBondContact CD2-O 3.37Å; F380-E422 WeakPolarHBondContact CE2-O 3.14Å; F380-E422 HydrophobicContact CG-CB 3.98Å; F380-E422 HydrophobicContact CG-CG 4.14Å; Y382-E422 PolarHBondContact OH-OE1 3.22Å; D390-E422 WeakPolarHBondContact CA-OE2 3.14Å; D390-E422 WeakPolarHBondContact OD2-CB 3.34Å; K391-E422 PolarHBondContact N-OE2 2.86Å; D419-E422 PolarHBondContact OD1-N 3.12Å; D419-E422 VanDerWaalsContact OD1-N 3.1Å
423	D	81.7	Confident	81.6	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.161	C	C	.	.			trans	-104.9	131.5	172.7	-87.1	-17	0	0	0	113.6	R413 T417 D419	R413-D423 IonicContact CZ-OD1 2.87Å; R413-D423 IonicContact CZ-OD2 3.49Å; R413-D423 VanDerWaalsContact CZ-OD2 3.26Å; R413-D423 IonicContact NE-OD1 2.67Å; R413-D423 PolarHBondContact NE-OD1 3.08Å; R413-D423 IonicContact NE-OD2 2.85Å; R413-D423 PolarHBondContact NE-OD2 3.24Å; R413-D423 IonicContact NH1-OD1 2.83Å; R413-D423 PolarHBondContact NH1-OD1 2.81Å; R413-D423 IonicContact NH2-OD1 3.33Å; R413-D423 PolarHBondContact NH2-OD1 3.38Å; R413-D423 IonicContact NH2-OD2 3.28Å; R413-D423 PolarHBondContact NH2-OD2 3.11Å; T417-D423 WeakPolarHBondContact CB-OD2 3.47Å; T417-D423 WeakPolarHBondContact CG2-OD2 3.32Å; T417-D423 WeakPolarHBondContact OG1-CB 3.07Å; T417-D423 VanDerWaalsContact OG1-CG 3.31Å; T417-D423 PolarHBondContact OG1-OD2 2.72Å; D419-D423 WeakPolarHBondContact O-CA 3.15Å; D419-D423 WeakPolarHBondContact O-CB 3.17Å; D419-D423 PolarHBondContact O-N 3.25Å
424	L	82.5	Confident	81.6	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.052	16%	0.162	C	C	.	.			trans	-86.7	127.7	169	-63.9	-179.2	0	0	0	110.3	F339 R341 D363 R413 L426 L430	F339-L424 HydrophobicContact CB-CD1 4.33Å; F339-L424 WeakPolarHBondContact O-CD1 3.32Å; R341-L424 HydrophobicContact CG-CD1 4.41Å; R341-L424 HydrophobicContact CG-CD2 4.34Å; D363-L424 HydrophobicContact CB-CB 4.17Å; D363-L424 HydrophobicContact CB-CD1 4.26Å; D363-L424 HydrophobicContact CB-CG 3.92Å; D363-L424 PolarHBondContact OD2-N 3.43Å; R413-L424 PolarHBondContact NH2-O 2.79Å; L424-L426 PolarHBondContact O-N 3.43Å; L424-L430 HydrophobicContact CB-CD1 3.8Å; L424-L430 HydrophobicContact CD1-CD2 4.4Å
425	P	84.3	Confident	81.6	Confident	13 Å²	13	27 Å²	27	8%	0.084	15%	0.148	C	C	.	.			trans	-67.8	120.5	-178.6	27.6	-34	0	0	0	110.5	V415 A427 E428	V415-P425 CarbonylContact O-C 3.43Å; P425-A427 PolarHBondContact O-N 3.42Å; P425-E428 HydrophobicContact CG-CG 3.95Å; P425-E428 WeakPolarHBondContact CG-OE1 3.14Å; P425-E428 WeakPolarHBondContact O-CB 3.45Å; P425-E428 PolarHBondContact O-N 3.36Å
426	L	88	Confident	81.6	Confident	2 Å²	2	27 Å²	27	1%	0.01	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-2.8	179.8	-56.4	177.7	0	0	0	113.2	V321 F323 F339 V415 L424 E428 L430 L473	V321-L426 HydrophobicContact CB-CD1 4.17Å; V321-L426 HydrophobicContact CG2-CD1 3.94Å; F323-L426 HydrophobicContact CE2-CD1 3.97Å; F323-L426 HydrophobicContact CZ-CD1 4.05Å; F339-L426 HydrophobicContact CD1-CD2 3.8Å; F339-L426 HydrophobicContact CD2-CD2 4.32Å; F339-L426 HydrophobicContact CE1-CD2 3.85Å; F339-L426 HydrophobicContact CE2-CD2 4.37Å; F339-L426 HydrophobicContact CG-CD2 4.05Å; F339-L426 HydrophobicContact CZ-CD2 4.15Å; V415-L426 HydrophobicContact CG1-CB 4.41Å; V415-L426 PolarHBondContact O-N 2.85Å; L424-L426 PolarHBondContact O-N 3.43Å; L426-E428 VanDerWaalsContact C-N 3.26Å; L426-L430 HydrophobicContact CD2-CD1 4.15Å; L426-L473 HydrophobicContact CB-CD1 3.68Å; L426-L473 HydrophobicContact CD1-CD1 4.2Å; L426-L473 HydrophobicContact CG-CD1 4.44Å
427	A	81.1	Confident	81.7	Confident	46 Å²	46	25.1 Å²	25.1	38%	0.38	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-28.1	167.8	0	0	0	0	0	111.9	V415 P425 L474	V415-A427 HydrophobicContact CG1-CB 3.64Å; V415-A427 VanDerWaalsContact CG1-N 3.27Å; P425-A427 PolarHBondContact O-N 3.42Å; A427-L474 HydrophobicContact CB-CD1 3.86Å
428	E	79.3	Confident	81.9	Confident	44 Å²	44	24.5 Å²	24.5	21%	0.206	14%	0.137	C	C	.	.	S	Bend	trans	-73.6	156.4	173.3	-64.6	176.1	-162.7	0	0	110.6	R341 P425 L426 L430	R341-E428 IonicContact CZ-OE1 2.77Å; R341-E428 IonicContact CZ-OE2 3.48Å; R341-E428 IonicContact NE-OE1 3.89Å; R341-E428 IonicContact NE-OE2 2.68Å; R341-E428 PolarHBondContact NE-OE2 2.88Å; R341-E428 IonicContact NH2-OE1 3.19Å; R341-E428 PolarHBondContact NH2-OE1 2.87Å; R341-E428 IonicContact NH2-OE2 2.82Å; R341-E428 PolarHBondContact NH2-OE2 3.44Å; P425-E428 HydrophobicContact CG-CG 3.95Å; P425-E428 WeakPolarHBondContact CG-OE1 3.14Å; P425-E428 WeakPolarHBondContact O-CB 3.45Å; P425-E428 PolarHBondContact O-N 3.36Å; L426-E428 VanDerWaalsContact C-N 3.26Å; E428-L430 HydrophobicContact CB-CD2 4.01Å; E428-L430 HydrophobicContact CB-CG 4.19Å; E428-L430 PolarHBondContact O-N 2.89Å
429	C	84.2	Confident	82.5	Confident	37 Å²	37	19 Å²	19	25%	0.25	10%	0.103	C	C	.	.			trans	-80.5	113.2	166.6	-55.5	0	0	0	0	108.3	P470 I471 C472	C429-P470 HydrophobicContact CB-CB 3.79Å; C429-P470 WeakPolarHBondContact O-CB 3.24Å; C429-I471 WeakPolarHBondContact CA-O 3.18Å; C429-C472 HydrophobicContact CB-CB 4.1Å; C429-C472 WeakPolarHBondContact CB-SG 3.18Å; C429-C472 WeakPolarHBondContact SG-CB 3.44Å; C429-C472 CovalentContact SG-SG 2.04Å; C429-C472 PolarHBondContact SG-SG 2.71Å
430	L	86.2	Confident	83.2	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-116.1	147	-173.9	-61.7	174.8	0	0	0	110.8	F339 R341 L424 L426 E428 F432 P470 I471	F339-L430 HydrophobicContact CB-CD1 4Å; R341-L430 HydrophobicContact CG-CD2 3.72Å; L424-L430 HydrophobicContact CB-CD1 3.8Å; L424-L430 HydrophobicContact CD1-CD2 4.4Å; L426-L430 HydrophobicContact CD2-CD1 4.15Å; E428-L430 HydrophobicContact CB-CD2 4.01Å; E428-L430 HydrophobicContact CB-CG 4.19Å; E428-L430 PolarHBondContact O-N 2.89Å; L430-F432 HydrophobicContact CB-CE1 4.4Å; L430-F432 WeakPolarHBondContact O-CD1 3.23Å; L430-P470 CarbonylContact O-C 3.59Å; L430-I471 PolarHBondContact N-O 3.17Å; L430-I471 PolarHBondContact O-N 3.08Å
431	Y	86.4	Confident	83.9	Confident	58 Å²	58	18.4 Å²	18.4	23%	0.227	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.9	165.1	-70.2	-91	0	0	0	110.2	F339 S340 R341 T342 G343 V466 S467 P470	F339-Y431 CarbonylContact C-O 3.56Å; F339-Y431 WeakPolarHBondContact CA-O 3.47Å; S340-Y431 PolarHBondContact N-O 2.84Å; S340-Y431 WeakPolarHBondContact O-CA 3.3Å; S340-Y431 WeakPolarHBondContact O-CB 3.34Å; S340-Y431 PolarHBondContact O-N 2.79Å; R341-Y431 WeakPolarHBondContact O-CD2 3.24Å; T342-Y431 VanDerWaalsContact C-CD2 3.44Å; G343-Y431 VanDerWaalsContact N-CG 3.29Å; Y431-V466 HydrophobicContact CD1-CG1 3.8Å; Y431-V466 HydrophobicContact CG-CG1 4.26Å; Y431-S467 WeakPolarHBondContact CA-OG 3.42Å; Y431-S467 VanDerWaalsContact CD1-O 3.26Å; Y431-S467 WeakPolarHBondContact CD1-O 3.32Å; Y431-P470 HydrophobicContact CD2-CB 4.48Å; Y431-P470 HydrophobicContact CD2-CG 4.03Å; Y431-P470 HydrophobicContact CE1-CG 4.3Å; Y431-P470 HydrophobicContact CE2-CB 4.49Å; Y431-P470 HydrophobicContact CE2-CG 3.58Å
432	F	92	Very high	84.4	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.009	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	142.7	176.3	-74.9	25.2	0	0	0	109.3	W312 F323 I337 G338 F339 L430 F434 V466 S467 I471 L473	W312-F432 HydrophobicContact CD2-CD2 4.46Å; W312-F432 AromaticContact CD2-CE2 3.81Å; W312-F432 HydrophobicContact CD2-CE2 3.81Å; W312-F432 AromaticContact CE2-CE2 3.85Å; W312-F432 HydrophobicContact CE3-CD2 4.27Å; W312-F432 HydrophobicContact CE3-CE2 4.02Å; W312-F432 HydrophobicContact CG-CE2 4.31Å; W312-F432 HydrophobicContact CH2-CD2 4.14Å; W312-F432 HydrophobicContact CH2-CE2 4.33Å; W312-F432 HydrophobicContact CZ2-CD2 4.32Å; W312-F432 HydrophobicContact CZ2-CE2 4.12Å; W312-F432 HydrophobicContact CZ3-CD2 4.11Å; W312-F432 HydrophobicContact CZ3-CE2 4.28Å; F323-F432 AromaticContact CE1-CE2 3.95Å; F323-F432 HydrophobicContact CE1-CE2 3.95Å; F323-F432 HydrophobicContact CE1-CZ 4.38Å; I337-F432 HydrophobicContact CD1-CD2 3.87Å; I337-F432 HydrophobicContact CD1-CE2 4.36Å; G338-F432 CarbonylContact O-C 3.59Å; G338-F432 WeakPolarHBondContact O-CA 3.25Å; F339-F432 AromaticContact CD1-CD1 3.75Å; F339-F432 HydrophobicContact CD1-CD1 3.75Å; F339-F432 AromaticContact CD1-CE1 3.6Å; F339-F432 HydrophobicContact CD1-CE1 3.6Å; F339-F432 HydrophobicContact CD1-CE2 4.44Å; F339-F432 HydrophobicContact CD1-CG 4.24Å; F339-F432 AromaticContact CD1-CZ 3.96Å; F339-F432 HydrophobicContact CD1-CZ 3.96Å; F339-F432 HydrophobicContact CE1-CD1 4.17Å; F339-F432 HydrophobicContact CE1-CD2 4.24Å; F339-F432 AromaticContact CE1-CE1 3.84Å; F339-F432 HydrophobicContact CE1-CE1 3.84Å; F339-F432 AromaticContact CE1-CE2 3.91Å; F339-F432 HydrophobicContact CE1-CE2 3.91Å; F339-F432 HydrophobicContact CE1-CG 4.37Å; F339-F432 AromaticContact CE1-CZ 3.69Å; F339-F432 HydrophobicContact CE1-CZ 3.69Å; L430-F432 HydrophobicContact CB-CE1 4.4Å; L430-F432 WeakPolarHBondContact O-CD1 3.23Å; F432-F434 HydrophobicContact CB-CE1 3.79Å; F432-F434 HydrophobicContact CB-CE2 3.98Å; F432-F434 HydrophobicContact CB-CZ 3.39Å; F432-F434 HydrophobicContact CD2-CE1 4.25Å; F432-F434 HydrophobicContact CD2-CZ 4.24Å; F432-F434 HydrophobicContact CG-CZ 4.32Å; F432-V466 CarbonylContact O-C 3.54Å; F432-V466 WeakPolarHBondContact O-CA 3.42Å; F432-S467 PolarHBondContact N-OG 3.41Å; F432-S467 PolarHBondContact O-N 2.82Å; F432-I471 HydrophobicContact CB-CD1 3.92Å; F432-I471 HydrophobicContact CD1-CB 4.08Å; F432-I471 HydrophobicContact CD1-CD1 4.12Å; F432-I471 HydrophobicContact CD2-CD1 3.86Å; F432-I471 HydrophobicContact CE1-CB 3.98Å; F432-I471 HydrophobicContact CE1-CG2 4.18Å; F432-I471 HydrophobicContact CE2-CD1 4.41Å; F432-I471 HydrophobicContact CE2-CG2 4.38Å; F432-I471 HydrophobicContact CG-CD1 3.71Å; F432-I471 HydrophobicContact CZ-CB 4.34Å; F432-I471 HydrophobicContact CZ-CG2 4.06Å; F432-L473 HydrophobicContact CZ-CD2 4.26Å
433	L	90.7	Very high	84.2	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.1	-175.9	-46.2	174.4	0	0	0	108.5	G338 M345 S362 P435 V466	G338-L433 PolarHBondContact N-O 2.89Å; G338-L433 PolarHBondContact O-N 2.86Å; M345-L433 HydrophobicContact CB-CD1 4.43Å; M345-L433 HydrophobicContact CB-CD2 4.24Å; M345-L433 HydrophobicContact CE-CB 3.84Å; M345-L433 HydrophobicContact CE-CD1 3.24Å; M345-L433 HydrophobicContact CE-CG 4.09Å; M345-L433 HydrophobicContact CG-CD1 4Å; M345-L433 HydrophobicContact SD-CD1 4.39Å; S362-L433 WeakPolarHBondContact OG-CD1 3.15Å; L433-P435 WeakPolarHBondContact O-CD 3.49Å; L433-V466 HydrophobicContact CD2-CB 4.44Å; L433-V466 HydrophobicContact CD2-CG1 4.08Å; L433-V466 HydrophobicContact CD2-CG2 3.96Å
434	F	92.5	Very high	83.5	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	95.7	-170.6	-53.8	-65.5	0	0	0	110.5	F295 Y308 A310 W312 I337 F432 V436 P464 I465 I471	F295-F434 HydrophobicContact CB-CD1 4.11Å; F295-F434 HydrophobicContact CB-CD2 4.47Å; F295-F434 HydrophobicContact CB-CE1 3.61Å; F295-F434 HydrophobicContact CB-CE2 4.03Å; F295-F434 HydrophobicContact CB-CZ 3.57Å; F295-F434 HydrophobicContact CD1-CB 3.91Å; F295-F434 AromaticContact CD1-CD1 3.68Å; F295-F434 HydrophobicContact CD1-CD1 3.68Å; F295-F434 AromaticContact CD1-CD2 3.75Å; F295-F434 HydrophobicContact CD1-CD2 3.75Å; F295-F434 HydrophobicContact CD1-CE1 4.08Å; F295-F434 HydrophobicContact CD1-CE2 4.16Å; F295-F434 AromaticContact CD1-CG 3.49Å; F295-F434 HydrophobicContact CD1-CG 3.49Å; F295-F434 VanDerWaalsContact CD1-CG 3.49Å; F295-F434 HydrophobicContact CD1-CZ 4.3Å; F295-F434 AromaticContact CD2-CD2 3.65Å; F295-F434 HydrophobicContact CD2-CD2 3.65Å; F295-F434 AromaticContact CD2-CE2 3.48Å; F295-F434 HydrophobicContact CD2-CE2 3.48Å; F295-F434 VanDerWaalsContact CD2-CE2 3.48Å; F295-F434 HydrophobicContact CD2-CG 4.27Å; F295-F434 AromaticContact CD2-CZ 3.95Å; F295-F434 HydrophobicContact CD2-CZ 3.95Å; F295-F434 HydrophobicContact CE1-CB 3.6Å; F295-F434 HydrophobicContact CE1-CD1 4.27Å; F295-F434 AromaticContact CE1-CD2 3.78Å; F295-F434 HydrophobicContact CE1-CD2 3.78Å; F295-F434 AromaticContact CE1-CG 3.62Å; F295-F434 HydrophobicContact CE1-CG 3.62Å; F295-F434 AromaticContact CE2-CD2 3.69Å; F295-F434 HydrophobicContact CE2-CD2 3.69Å; F295-F434 AromaticContact CE2-CE2 3.93Å; F295-F434 HydrophobicContact CE2-CE2 3.93Å; F295-F434 HydrophobicContact CE2-CG 4.38Å; F295-F434 AromaticContact CG-CD1 3.91Å; F295-F434 HydrophobicContact CG-CD1 3.91Å; F295-F434 AromaticContact CG-CD2 3.68Å; F295-F434 HydrophobicContact CG-CD2 3.68Å; F295-F434 AromaticContact CG-CE1 3.82Å; F295-F434 HydrophobicContact CG-CE1 3.82Å; F295-F434 AromaticContact CG-CE2 3.61Å; F295-F434 HydrophobicContact CG-CE2 3.61Å; F295-F434 AromaticContact CG-CG 3.83Å; F295-F434 HydrophobicContact CG-CG 3.83Å; F295-F434 AromaticContact CG-CZ 3.67Å; F295-F434 HydrophobicContact CG-CZ 3.67Å; F295-F434 HydrophobicContact CZ-CB 4.16Å; F295-F434 AromaticContact CZ-CD2 3.75Å; F295-F434 HydrophobicContact CZ-CD2 3.75Å; F295-F434 HydrophobicContact CZ-CE2 4.43Å; F295-F434 HydrophobicContact CZ-CG 4.08Å; Y308-F434 HydrophobicContact CD1-CB 4.37Å; Y308-F434 HydrophobicContact CE1-CB 3.77Å; Y308-F434 AromaticContact CE1-CD1 3.82Å; Y308-F434 HydrophobicContact CE1-CD1 3.82Å; Y308-F434 HydrophobicContact CE1-CG 4.17Å; A310-F434 HydrophobicContact CB-CD1 4.24Å; A310-F434 HydrophobicContact CB-CE1 4.16Å; W312-F434 HydrophobicContact CH2-CZ 4.38Å; W312-F434 HydrophobicContact CZ3-CE1 4.22Å; W312-F434 HydrophobicContact CZ3-CZ 4.46Å; I337-F434 HydrophobicContact CD1-CD1 4.47Å; I337-F434 HydrophobicContact CD1-CE1 4.11Å; I337-F434 HydrophobicContact CG1-CD1 4.44Å; I337-F434 HydrophobicContact CG1-CE1 4.46Å; F432-F434 HydrophobicContact CB-CE1 3.79Å; F432-F434 HydrophobicContact CB-CE2 3.98Å; F432-F434 HydrophobicContact CB-CZ 3.39Å; F432-F434 HydrophobicContact CD2-CE1 4.25Å; F432-F434 HydrophobicContact CD2-CZ 4.24Å; F432-F434 HydrophobicContact CG-CZ 4.32Å; F434-V436 VanDerWaalsContact C-N 3.28Å; F434-V436 PolarHBondContact O-N 3.4Å; F434-P464 CarbonylContact O-C 3.51Å; F434-P464 WeakPolarHBondContact O-CA 3.19Å; F434-I465 HydrophobicContact CB-CB 4.33Å; F434-I465 WeakPolarHBondContact CB-O 3.4Å; F434-I465 WeakPolarHBondContact CD2-O 3.48Å; F434-I465 PolarHBondContact N-O 3.37Å; F434-I465 PolarHBondContact O-N 3.1Å; F434-I471 HydrophobicContact CZ-CD1 4.41Å
435	P	90.7	Very high	82.9	Confident	10 Å²	10	32.2 Å²	32.2	7%	0.065	18%	0.177	C	C	.	.			trans	-75.7	75.7	179.1	32.7	-36.3	0	0	0	111	Y308 W334 G336 L433 G437 G438 P464	Y308-P435 HydrophobicContact CE2-CG 4.45Å; W334-P435 HydrophobicContact CH2-CB 4.28Å; W334-P435 HydrophobicContact CZ3-CB 3.97Å; W334-P435 HydrophobicContact CZ3-CG 4.11Å; G336-P435 WeakPolarHBondContact O-CD 3.07Å; G336-P435 WeakPolarHBondContact O-CG 2.96Å; L433-P435 WeakPolarHBondContact O-CD 3.49Å; P435-G437 PolarHBondContact O-N 3.39Å; P435-G438 PolarHBondContact O-N 3.42Å; P435-P464 HydrophobicContact CB-CG 4.5Å
436	V	86.4	Confident	82.3	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.024	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.2	-170.5	168.8	0	0	0	0	114.6	F295 Y297 Y308 F434 H462 I465	F295-V436 HydrophobicContact CE1-CG2 4.34Å; Y297-V436 HydrophobicContact CD1-CB 4.37Å; Y297-V436 HydrophobicContact CD1-CG1 3.19Å; Y297-V436 HydrophobicContact CD1-CG2 4.28Å; Y297-V436 HydrophobicContact CD2-CG1 4.48Å; Y297-V436 HydrophobicContact CD2-CG2 4.24Å; Y297-V436 HydrophobicContact CE1-CG1 3.62Å; Y297-V436 HydrophobicContact CG-CB 4.45Å; Y297-V436 HydrophobicContact CG-CG1 3.67Å; Y297-V436 HydrophobicContact CG-CG2 3.86Å; Y308-V436 HydrophobicContact CD1-CG2 4.37Å; Y308-V436 HydrophobicContact CG-CB 4.48Å; Y308-V436 HydrophobicContact CG-CG2 4.2Å; F434-V436 VanDerWaalsContact C-N 3.28Å; F434-V436 PolarHBondContact O-N 3.4Å; V436-H462 HydrophobicContact CB-CB 4.46Å; V436-I465 HydrophobicContact CG2-CD1 3.64Å; V436-I465 HydrophobicContact CG2-CG1 3.99Å
437	G	82.5	Confident	81.5	Confident	16 Å²	16	42.1 Å²	42.1	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-6.8	175.8	0	0	0	0	0	115.3	R333 P435	R333-G437 PolarHBondContact NE-O 3.06Å; R333-G437 PolarHBondContact NH2-O 2.75Å; P435-G437 PolarHBondContact O-N 3.39Å
438	G	87.5	Confident	81.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.			trans	53.7	-154.3	-168.7	0	0	0	0	0	112.9	R333 W334 P435 H459	R333-G438 VanDerWaalsContact NH2-C 3.31Å; R333-G438 PolarHBondContact NH2-O 3.45Å; W334-G438 WeakPolarHBondContact O-CA 3.35Å; P435-G438 PolarHBondContact O-N 3.42Å; G438-H459 WeakPolarHBondContact O-CA 3.49Å; G438-H459 WeakPolarHBondContact O-CB 3.3Å
439	G	85.7	Confident	80.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	166.7	175.2	0	0	0	0	0	112.6	R333 W334 Y458	R333-G439 CarbonylContact C-O 3.55Å; R333-G439 WeakPolarHBondContact CA-O 3.46Å; R333-G439 VanDerWaalsContact CB-O 3.3Å; R333-G439 WeakPolarHBondContact CB-O 3.19Å; W334-G439 VanDerWaalsContact CD1-C 3.47Å; W334-G439 VanDerWaalsContact CE2-CA 3.4Å; W334-G439 PolarHBondContact N-O 3.39Å; W334-G439 VanDerWaalsContact NE1-C 3.28Å; W334-G439 PolarHBondContact NE1-O 2.8Å; G439-Y458 VanDerWaalsContact CA-O 3.29Å; G439-Y458 WeakPolarHBondContact CA-O 3.45Å
440	P	83.9	Confident	80.6	Confident	42 Å²	42	42.3 Å²	42.3	27%	0.273	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147.9	-177.3	29.9	-32.5	0	0	0	112.1	G457 Y458	P440-G457 WeakPolarHBondContact O-CA 3.34Å; P440-G457 PolarHBondContact O-N 3.18Å; P440-Y458 WeakPolarHBondContact CD-O 3.4Å
441	L	81.4	Confident	80.1	Confident	18 Å²	18	44 Å²	44	9%	0.094	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.8	168.4	-66.8	165.9	0	0	0	109.6	K332 W334 W368 V443 F449 V456	K332-L441 PolarHBondContact O-N 2.7Å; W334-L441 HydrophobicContact CB-CD2 4.23Å; W368-L441 HydrophobicContact CB-CD1 3.85Å; W368-L441 HydrophobicContact CD2-CD1 4.01Å; W368-L441 HydrophobicContact CD2-CD2 3.72Å; W368-L441 HydrophobicContact CE3-CD2 3.86Å; W368-L441 HydrophobicContact CG-CD1 3.51Å; W368-L441 HydrophobicContact CG-CD2 4.12Å; W368-L441 HydrophobicContact CG-CG 4.43Å; W368-L441 HydrophobicContact CZ2-CD2 4.42Å; W368-L441 HydrophobicContact CZ3-CD2 4.29Å; L441-V443 HydrophobicContact CB-CG2 4.22Å; L441-F449 HydrophobicContact CB-CE1 4.2Å; L441-F449 HydrophobicContact CD1-CD1 3.86Å; L441-F449 HydrophobicContact CD1-CE1 3.69Å; L441-V456 HydrophobicContact CD2-CG1 4.02Å
442	V	71.5	Confident	79.4	Confident	78 Å²	78	43.8 Å²	43.8	47%	0.473	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	84.6	178.4	-165.1	0	0	0	0	109.9	M455	V442-M455 HydrophobicContact CB-CB 4.23Å; V442-M455 HydrophobicContact CB-CE 3.39Å; V442-M455 HydrophobicContact CB-CG 4Å; V442-M455 HydrophobicContact CB-SD 4.37Å; V442-M455 HydrophobicContact CG1-CE 3.27Å; V442-M455 HydrophobicContact CG2-CE 4.09Å; V442-M455 HydrophobicContact CG2-CG 4.32Å; V442-M455 PolarHBondContact N-O 2.82Å
443	V	69.5	Low	78.3	Confident	30 Å²	30	47.2 Å²	47.2	18%	0.182	26%	0.255	C	S	.	.			trans	-126.1	142.2	-172.7	-73.6	0	0	0	0	109.8	L441 D448 F449 A454	L441-V443 HydrophobicContact CB-CG2 4.22Å; V443-D448 HydrophobicContact CB-CB 3.73Å; V443-D448 HydrophobicContact CG1-CB 3.79Å; V443-F449 HydrophobicContact CB-CD2 4.16Å; V443-F449 HydrophobicContact CB-CE2 4.3Å; V443-F449 HydrophobicContact CB-CG 4.45Å; V443-F449 HydrophobicContact CG2-CD1 3.86Å; V443-F449 HydrophobicContact CG2-CD2 3.4Å; V443-F449 HydrophobicContact CG2-CE1 3.63Å; V443-F449 HydrophobicContact CG2-CE2 3.16Å; V443-F449 HydrophobicContact CG2-CG 3.75Å; V443-F449 HydrophobicContact CG2-CZ 3.28Å; V443-A454 HydrophobicContact CG1-CB 3.76Å
444	K	67.7	Low	77.2	Confident	201 Å²	201	47.6 Å²	47.6	87%	0.874	26%	0.258	S	S	*	.	S	Bend	trans	-91.7	-27.2	-173.4	-65	176.1	-178.3	169.1	0	112.6	D448	K444-D448 WeakPolarHBondContact CB-OD2 3.11Å; K444-D448 PolarHBondContact N-OD2 3.16Å
445	N	70.3	Confident	75.9	Confident	73 Å²	73	50.7 Å²	50.7	39%	0.39	27%	0.274	S	S	.	.	S	Bend	trans	-146.5	171.8	-178.1	58.8	29.8	0	0	0	111.1	D447 D448 F449	N445-D447 PolarHBondContact O-N 3.37Å; N445-D447 PolarHBondContact OD1-N 3.36Å; N445-D448 WeakPolarHBondContact O-CB 3.41Å; N445-D448 PolarHBondContact O-N 2.74Å; N445-D448 WeakPolarHBondContact OD1-CB 2.96Å; N445-D448 PolarHBondContact OD1-N 3.16Å; N445-D448 PolarHBondContact OD1-OD1 3.37Å; N445-D448 PolarHBondContact OD1-OD2 3.04Å; N445-F449 WeakPolarHBondContact O-CD2 3.16Å; N445-F449 PolarHBondContact O-N 3.31Å
446	D	71.3	Confident	75.2	Confident	98 Å²	98	50.8 Å²	50.8	52%	0.524	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.7	-179.3	-69.6	-12	0	0	0	113.1	H370 F449	H370-D446 IonicContact CE1-OD1 2.98Å; H370-D446 IonicContact NE2-OD1 3.37Å; D446-F449 WeakPolarHBondContact O-CB 3.45Å; D446-F449 PolarHBondContact O-N 3.39Å
447	D	70.5	Confident	74.3	Confident	125 Å²	125	51.3 Å²	51.3	67%	0.668	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-38.6	176.5	-63.1	-36.3	0	0	0	111.3	N445 F449 L450	N445-D447 PolarHBondContact O-N 3.37Å; N445-D447 PolarHBondContact OD1-N 3.36Å; D447-F449 PolarHBondContact O-N 3.18Å; D447-L450 PolarHBondContact O-N 3.13Å
448	D	72	Confident	73.8	Confident	40 Å²	40	57.6 Å²	57.6	21%	0.214	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-62	-31.7	174.7	-68.9	-18.6	0	0	0	111.1	V443 K444 N445 L450 S451 A454	V443-D448 HydrophobicContact CB-CB 3.73Å; V443-D448 HydrophobicContact CG1-CB 3.79Å; K444-D448 WeakPolarHBondContact CB-OD2 3.11Å; K444-D448 PolarHBondContact N-OD2 3.16Å; N445-D448 WeakPolarHBondContact O-CB 3.41Å; N445-D448 PolarHBondContact O-N 2.74Å; N445-D448 WeakPolarHBondContact OD1-CB 2.96Å; N445-D448 PolarHBondContact OD1-N 3.16Å; N445-D448 PolarHBondContact OD1-OD1 3.37Å; N445-D448 PolarHBondContact OD1-OD2 3.04Å; D448-L450 PolarHBondContact O-N 3.03Å; D448-S451 WeakPolarHBondContact O-CB 3.45Å; D448-S451 PolarHBondContact O-N 2.84Å; D448-A454 WeakPolarHBondContact O-CB 3.07Å
449	F	76	Confident	73	Confident	25 Å²	25	60.7 Å²	60.7	11%	0.11	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-63.2	-26	174.3	-88.6	-82.6	0	0	0	112.9	W368 H370 L441 V443 N445 D446 D447	W368-F449 PolarHBondContact NE1-O 3.29Å; H370-F449 HydrophobicContact CB-CB 3.99Å; H370-F449 HydrophobicContact CB-CD1 4.15Å; H370-F449 HydrophobicContact CB-CG 4.34Å; H370-F449 AromaticContact CE1-CD2 3.66Å; H370-F449 AromaticContact CE1-CG 3.72Å; H370-F449 AromaticContact CG-CD1 3.87Å; H370-F449 AromaticContact CG-CG 3.73Å; H370-F449 AromaticContact ND1-CD1 3.52Å; H370-F449 AromaticContact ND1-CD2 3.9Å; H370-F449 AromaticContact ND1-CE1 3.92Å; H370-F449 AromaticContact ND1-CG 3.51Å; L441-F449 HydrophobicContact CB-CE1 4.2Å; L441-F449 HydrophobicContact CD1-CD1 3.86Å; L441-F449 HydrophobicContact CD1-CE1 3.69Å; V443-F449 HydrophobicContact CB-CD2 4.16Å; V443-F449 HydrophobicContact CB-CE2 4.3Å; V443-F449 HydrophobicContact CB-CG 4.45Å; V443-F449 HydrophobicContact CG2-CD1 3.86Å; V443-F449 HydrophobicContact CG2-CD2 3.4Å; V443-F449 HydrophobicContact CG2-CE1 3.63Å; V443-F449 HydrophobicContact CG2-CE2 3.16Å; V443-F449 HydrophobicContact CG2-CG 3.75Å; V443-F449 HydrophobicContact CG2-CZ 3.28Å; N445-F449 WeakPolarHBondContact O-CD2 3.16Å; N445-F449 PolarHBondContact O-N 3.31Å; D446-F449 WeakPolarHBondContact O-CB 3.45Å; D446-F449 PolarHBondContact O-N 3.39Å; D447-F449 PolarHBondContact O-N 3.18Å
450	L	77.6	Confident	72.3	Confident	66 Å²	66	65.1 Å²	65.1	35%	0.346	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-93.7	1.4	179.4	-62.1	177.8	0	0	0	112.6	H370 Q373 D447 D448	H370-L450 HydrophobicContact CB-CD2 4.45Å; Q373-L450 HydrophobicContact CB-CD2 3.76Å; Q373-L450 HydrophobicContact CG-CD2 4.46Å; D447-L450 PolarHBondContact O-N 3.13Å; D448-L450 PolarHBondContact O-N 3.03Å
451	S	75.1	Confident	71.8	Confident	38 Å²	38	67.1 Å²	67.1	27%	0.266	35%	0.349	S	S	.	.			trans	-85.3	128.3	177.5	-174.9	0	0	0	0	111.3	W368 D448 K453 A454	W368-S451 WeakPolarHBondContact CZ2-O 3.14Å; D448-S451 WeakPolarHBondContact O-CB 3.45Å; D448-S451 PolarHBondContact O-N 2.84Å; S451-K453 PolarHBondContact O-N 3.06Å; S451-K453 VanDerWaalsContact O-N 3.11Å; S451-K453 PolarHBondContact OG-N 3.31Å; S451-A454 VanDerWaalsContact O-CB 3.29Å; S451-A454 WeakPolarHBondContact O-CB 3.32Å; S451-A454 PolarHBondContact O-N 2.93Å
452	S	72.9	Confident	71.4	Confident	53 Å²	53	69.5 Å²	69.5	37%	0.371	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21	168.5	54.8	0	0	0	0	112.8	R379	R379-S452 PolarHBondContact NH2-O 3.26Å
453	K	68.3	Low	71.1	Confident	73 Å²	73	70 Å²	70	32%	0.317	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6.8	178.2	-45.4	-179.6	-155.2	175.1	0	113.5	I389 S451 M455 E714 L1082	I389-K453 HydrophobicContact CD1-CG 4.42Å; S451-K453 PolarHBondContact O-N 3.06Å; S451-K453 VanDerWaalsContact O-N 3.11Å; S451-K453 PolarHBondContact OG-N 3.31Å; K453-M455 PolarHBondContact O-N 2.62Å; K453-E714 IonicContact NZ-OE1 3.04Å; K453-E714 PolarHBondContact NZ-OE1 3.05Å; K453-L1082 HydrophobicContact CD-CB 3.88Å; K453-L1082 WeakPolarHBondContact CD-O 3.34Å; K453-L1082 VanDerWaalsContact CE-CD2 3.49Å; K453-L1082 WeakPolarHBondContact CE-O 3.36Å; K453-L1082 VanDerWaalsContact NZ-CB 3.25Å; K453-L1082 PolarHBondContact NZ-O 2.79Å
454	A	68.9	Low	71.6	Confident	8 Å²	8	68.7 Å²	68.7	7%	0.066	35%	0.349	C	S	.	.			trans	-52.8	135.3	176.3	0	0	0	0	0	110.4	W368 V443 D448 S451 V456	W368-A454 HydrophobicContact CH2-CB 3.89Å; W368-A454 HydrophobicContact CZ2-CB 3.6Å; V443-A454 HydrophobicContact CG1-CB 3.76Å; D448-A454 WeakPolarHBondContact O-CB 3.07Å; S451-A454 VanDerWaalsContact O-CB 3.29Å; S451-A454 WeakPolarHBondContact O-CB 3.32Å; S451-A454 PolarHBondContact O-N 2.93Å; A454-V456 PolarHBondContact O-N 2.77Å; A454-V456 VanDerWaalsContact O-N 3.11Å
455	M	65.2	Low	72.4	Confident	67 Å²	67	61.8 Å²	61.8	33%	0.33	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	115.1	178.2	172.2	164.1	62.3	0	0	109.4	V442 K453 Y1074	V442-M455 HydrophobicContact CB-CB 4.23Å; V442-M455 HydrophobicContact CB-CE 3.39Å; V442-M455 HydrophobicContact CB-CG 4Å; V442-M455 HydrophobicContact CB-SD 4.37Å; V442-M455 HydrophobicContact CG1-CE 3.27Å; V442-M455 HydrophobicContact CG2-CE 4.09Å; V442-M455 HydrophobicContact CG2-CG 4.32Å; V442-M455 PolarHBondContact N-O 2.82Å; K453-M455 PolarHBondContact O-N 2.62Å; M455-Y1074 WeakPolarHBondContact CG-OH 3.27Å; M455-Y1074 HydrophobicContact SD-CE2 3.54Å; M455-Y1074 VanDerWaalsContact SD-CE2 3.54Å; M455-Y1074 VanDerWaalsContact SD-CZ 3.57Å; M455-Y1074 PolarHBondContact SD-OH 3.4Å
456	V	74.1	Confident	73	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121	175.2	-64.1	0	0	0	0	109.7	W334 I366 W368 Q386 L441 A454	W334-V456 HydrophobicContact CG-CB 4.42Å; W334-V456 HydrophobicContact CG-CG1 4.38Å; I366-V456 HydrophobicContact CD1-CB 4.14Å; I366-V456 HydrophobicContact CD1-CG1 3.7Å; I366-V456 HydrophobicContact CD1-CG2 3.85Å; W368-V456 HydrophobicContact CH2-CG1 4.49Å; W368-V456 HydrophobicContact CZ3-CG1 3.98Å; Q386-V456 HydrophobicContact CG-CG2 4.02Å; Q386-V456 PolarHBondContact NE2-O 2.93Å; L441-V456 HydrophobicContact CD2-CG1 4.02Å; A454-V456 PolarHBondContact O-N 2.77Å; A454-V456 VanDerWaalsContact O-N 3.11Å
457	G	68.8	Low	73.8	Confident	15 Å²	15	54.2 Å²	54.2	16%	0.155	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-76.9	165.2	175.6	0	0	0	0	0	112.1	W334 P440	W334-G457 VanDerWaalsContact CE2-O 3.31Å; W334-G457 WeakPolarHBondContact CZ2-O 3.38Å; W334-G457 PolarHBondContact NE1-O 2.75Å; P440-G457 WeakPolarHBondContact O-CA 3.34Å; P440-G457 PolarHBondContact O-N 3.18Å
458	Y	72	Confident	74.2	Confident	149 Å²	149	53 Å²	53	58%	0.584	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-65	158.5	178.7	-61.1	-85.5	0	0	0	112.8	G439 P440 D460	G439-Y458 VanDerWaalsContact CA-O 3.29Å; G439-Y458 WeakPolarHBondContact CA-O 3.45Å; P440-Y458 WeakPolarHBondContact CD-O 3.4Å; Y458-D460 PolarHBondContact O-N 3.02Å
459	H	70.8	Confident	74.5	Confident	64 Å²	64	55.2 Å²	55.2	30%	0.296	29%	0.289	S	S	.	.			trans	-68.4	103.4	171.6	53.3	66.4	0	0	0	110.8	W334 G438 P464	W334-H459 HydrophobicContact CH2-CB 4.28Å; W334-H459 HydrophobicContact CZ2-CB 4.42Å; G438-H459 WeakPolarHBondContact O-CA 3.49Å; G438-H459 WeakPolarHBondContact O-CB 3.3Å; H459-P464 VanDerWaalsContact CE1-CD 3.43Å; H459-P464 WeakPolarHBondContact CE1-CD 3.35Å; H459-P464 WeakPolarHBondContact NE2-CD 3.48Å
460	D	70.1	Confident	74.8	Confident	93 Å²	93	55.1 Å²	55.1	50%	0.497	29%	0.291	S	S	.	.			trans	-99.6	-8.9	-169.8	61	-19.6	0	0	0	113.9	R333 Y458	R333-D460 IonicContact CZ-OD1 3.47Å; R333-D460 IonicContact NH1-OD1 3.19Å; R333-D460 PolarHBondContact NH1-OD1 3.39Å; R333-D460 IonicContact NH1-OD2 3.02Å; R333-D460 PolarHBondContact NH1-OD2 2.5Å; R333-D460 IonicContact NH2-OD1 3.1Å; R333-D460 PolarHBondContact NH2-OD1 2.81Å; Y458-D460 PolarHBondContact O-N 3.02Å
461	V	73.9	Confident	75.3	Confident	85 Å²	85	52.1 Å²	52.1	52%	0.515	28%	0.276	S	S	.	.	S	Bend	trans	-98.3	-52.9	-178.5	-174.2	0	0	0	0	111.9
462	H	72.9	Confident	75.9	Confident	67 Å²	67	50.8 Å²	50.8	31%	0.31	27%	0.266	S	S	.	.	S	Bend	trans	-135.1	144.3	178.5	-66	101.4	0	0	0	109	V436	V436-H462 HydrophobicContact CB-CB 4.46Å
463	Q	65.7	Low	76.5	Confident	88 Å²	88	48.4 Å²	48.4	41%	0.411	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-63.3	145.9	163.4	-71.2	173.6	-5.2	0	0	109.3	A346 I465	A346-Q463 HydrophobicContact CB-CB 3.84Å; A346-Q463 HydrophobicContact CB-CG 4.08Å; Q463-I465 PolarHBondContact O-N 2.93Å
464	P	79	Confident	77.1	Confident	4 Å²	4	49.2 Å²	49.2	3%	0.026	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56.3	129.9	176	-24.8	34.3	0	0	0	110.6	M345 F434 P435 H459	M345-P464 HydrophobicContact CE-CB 4.34Å; M345-P464 HydrophobicContact CE-CG 4.2Å; M345-P464 HydrophobicContact SD-CG 4.3Å; F434-P464 CarbonylContact O-C 3.51Å; F434-P464 WeakPolarHBondContact O-CA 3.19Å; P435-P464 HydrophobicContact CB-CG 4.5Å; H459-P464 VanDerWaalsContact CE1-CD 3.43Å; H459-P464 WeakPolarHBondContact CE1-CD 3.35Å; H459-P464 WeakPolarHBondContact NE2-CD 3.48Å
465	I	86	Confident	77.1	Confident	55 Å²	55	50.4 Å²	50.4	28%	0.282	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	132.9	175.2	-60.6	-178.4	0	0	0	108	F295 Y297 F434 V436 Q463	F295-I465 HydrophobicContact CE2-CG2 4.16Å; F295-I465 HydrophobicContact CZ-CB 4.14Å; F295-I465 HydrophobicContact CZ-CD1 4.21Å; F295-I465 HydrophobicContact CZ-CG2 3.88Å; Y297-I465 HydrophobicContact CD2-CD1 3.37Å; Y297-I465 HydrophobicContact CE2-CD1 3.49Å; Y297-I465 VanDerWaalsContact CE2-CD1 3.49Å; Y297-I465 HydrophobicContact CG-CD1 4.27Å; F434-I465 HydrophobicContact CB-CB 4.33Å; F434-I465 WeakPolarHBondContact CB-O 3.4Å; F434-I465 WeakPolarHBondContact CD2-O 3.48Å; F434-I465 PolarHBondContact N-O 3.37Å; F434-I465 PolarHBondContact O-N 3.1Å; V436-I465 HydrophobicContact CG2-CD1 3.64Å; V436-I465 HydrophobicContact CG2-CG1 3.99Å; Q463-I465 PolarHBondContact O-N 2.93Å
466	V	82.3	Confident	76.8	Confident	11 Å²	11	53.3 Å²	53.3	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.9	177.3	-172.8	0	0	0	0	109.2	G343 M345 I347 Y431 F432 L433	G343-V466 WeakPolarHBondContact O-CG1 3.35Å; G343-V466 VanDerWaalsContact O-CG2 3.24Å; G343-V466 WeakPolarHBondContact O-CG2 3.14Å; M345-V466 WeakPolarHBondContact O-CG2 3.2Å; I347-V466 HydrophobicContact CD1-CB 4.13Å; I347-V466 HydrophobicContact CD1-CG2 4.48Å; I347-V466 HydrophobicContact CG1-CB 4.21Å; I347-V466 HydrophobicContact CG1-CG2 4.09Å; Y431-V466 HydrophobicContact CD1-CG1 3.8Å; Y431-V466 HydrophobicContact CG-CG1 4.26Å; F432-V466 CarbonylContact O-C 3.54Å; F432-V466 WeakPolarHBondContact O-CA 3.42Å; L433-V466 HydrophobicContact CD2-CB 4.44Å; L433-V466 HydrophobicContact CD2-CG1 4.08Å; L433-V466 HydrophobicContact CD2-CG2 3.96Å
467	S	87.6	Confident	75.8	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.014	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-55.2	140.7	168.2	65	0	0	0	0	110.6	Y431 F432 Q469	Y431-S467 WeakPolarHBondContact CA-OG 3.42Å; Y431-S467 VanDerWaalsContact CD1-O 3.26Å; Y431-S467 WeakPolarHBondContact CD1-O 3.32Å; F432-S467 PolarHBondContact N-OG 3.41Å; F432-S467 PolarHBondContact O-N 2.82Å; S467-Q469 WeakPolarHBondContact CB-O 3.46Å; S467-Q469 PolarHBondContact O-N 2.98Å; S467-Q469 VanDerWaalsContact O-N 3.12Å; S467-Q469 PolarHBondContact OG-O 2.61Å
468	P	79.6	Confident	74.7	Confident	99 Å²	99	65.7 Å²	65.7	64%	0.643	34%	0.341	S	S	*	.	S	Bend	trans	-67.3	-17	-176	26.3	-35.2	0	0	0	113.5
469	Q	77.7	Confident	72.9	Confident	86 Å²	86	67.4 Å²	67.4	40%	0.402	35%	0.352	S	S	.	.	S	Bend	trans	-151.5	158.9	179	15.9	-178.9	-23.6	0	0	107.9	Y290 S467 I471	Y290-Q469 HydrophobicContact CD1-CB 4.18Å; Y290-Q469 HydrophobicContact CD1-CG 3.66Å; Y290-Q469 HydrophobicContact CD2-CG 4.28Å; Y290-Q469 HydrophobicContact CE1-CG 3.83Å; Y290-Q469 HydrophobicContact CE2-CG 4.46Å; Y290-Q469 HydrophobicContact CG-CG 3.88Å; S467-Q469 WeakPolarHBondContact CB-O 3.46Å; S467-Q469 PolarHBondContact O-N 2.98Å; S467-Q469 VanDerWaalsContact O-N 3.12Å; S467-Q469 PolarHBondContact OG-O 2.61Å; Q469-I471 PolarHBondContact O-N 3.19Å
470	P	82.6	Confident	71.2	Confident	24 Å²	24	70.1 Å²	70.1	16%	0.156	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58	132.5	173.7	-18.9	29.8	0	0	0	111	C429 L430 Y431	C429-P470 HydrophobicContact CB-CB 3.79Å; C429-P470 WeakPolarHBondContact O-CB 3.24Å; L430-P470 CarbonylContact O-C 3.59Å; Y431-P470 HydrophobicContact CD2-CB 4.48Å; Y431-P470 HydrophobicContact CD2-CG 4.03Å; Y431-P470 HydrophobicContact CE1-CG 4.3Å; Y431-P470 HydrophobicContact CE2-CB 4.49Å; Y431-P470 HydrophobicContact CE2-CG 3.58Å
471	I	88.9	Confident	69.6	Low	3 Å²	3	72.4 Å²	72.4	2%	0.015	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-92.4	125.1	178.3	-65	173.7	0	0	0	108.2	Y290 P292 W312 C429 L430 F432 F434 Q469	Y290-I471 HydrophobicContact CD1-CG1 4.02Å; Y290-I471 HydrophobicContact CE1-CG1 3.78Å; P292-I471 HydrophobicContact CG-CB 4.4Å; P292-I471 HydrophobicContact CG-CD1 3.72Å; P292-I471 HydrophobicContact CG-CG1 3.65Å; P292-I471 HydrophobicContact CG-CG2 3.98Å; W312-I471 HydrophobicContact CH2-CD1 4.03Å; W312-I471 HydrophobicContact CZ2-CD1 3.91Å; W312-I471 HydrophobicContact CZ2-CG2 4.08Å; C429-I471 WeakPolarHBondContact CA-O 3.18Å; L430-I471 PolarHBondContact N-O 3.17Å; L430-I471 PolarHBondContact O-N 3.08Å; F432-I471 HydrophobicContact CB-CD1 3.92Å; F432-I471 HydrophobicContact CD1-CB 4.08Å; F432-I471 HydrophobicContact CD1-CD1 4.12Å; F432-I471 HydrophobicContact CD2-CD1 3.86Å; F432-I471 HydrophobicContact CE1-CB 3.98Å; F432-I471 HydrophobicContact CE1-CG2 4.18Å; F432-I471 HydrophobicContact CE2-CD1 4.41Å; F432-I471 HydrophobicContact CE2-CG2 4.38Å; F432-I471 HydrophobicContact CG-CD1 3.71Å; F432-I471 HydrophobicContact CZ-CB 4.34Å; F432-I471 HydrophobicContact CZ-CG2 4.06Å; F434-I471 HydrophobicContact CZ-CD1 4.41Å; Q469-I471 PolarHBondContact O-N 3.19Å
472	C	87.5	Confident	67.7	Low	9 Å²	9	76.4 Å²	76.4	6%	0.061	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-98.8	132.3	174	-45.5	0	0	0	0	109.8	Y290 C429 C475	Y290-C472 PolarHBondContact O-N 3.47Å; Y290-C472 VanDerWaalsContact O-N 3.16Å; C429-C472 HydrophobicContact CB-CB 4.1Å; C429-C472 WeakPolarHBondContact CB-SG 3.18Å; C429-C472 WeakPolarHBondContact SG-CB 3.44Å; C429-C472 CovalentContact SG-SG 2.04Å; C429-C472 PolarHBondContact SG-SG 2.71Å; C472-C475 PolarHBondContact O-SG 2.99Å
473	L	85.6	Confident	66	Low	3 Å²	3	81.5 Å²	81.5	2%	0.016	43%	0.434	C	S	.	.	S	Bend	trans	-84.6	-37	174.4	-63.4	-172.2	0	0	0	112.7	R293 W312 V321 L426 F432 C475	R293-L473 PolarHBondContact NH2-O 2.82Å; W312-L473 VanDerWaalsContact CD1-CD2 3.41Å; W312-L473 HydrophobicContact CG-CD2 4.41Å; V321-L473 HydrophobicContact CB-CD1 4.26Å; V321-L473 HydrophobicContact CG1-CD1 3.85Å; V321-L473 HydrophobicContact CG2-CD1 3.45Å; V321-L473 VanDerWaalsContact CG2-CD1 3.45Å; L426-L473 HydrophobicContact CB-CD1 3.68Å; L426-L473 HydrophobicContact CD1-CD1 4.2Å; L426-L473 HydrophobicContact CG-CD1 4.44Å; F432-L473 HydrophobicContact CZ-CD2 4.26Å; L473-C475 PolarHBondContact O-N 3.01Å
474	L	79.1	Confident	64.5	Low	90 Å²	90	83.7 Å²	83.7	47%	0.471	46%	0.456	S	S	.	.	S	Bend	trans	-85.6	80.9	180	-69.2	162.3	0	0	0	110.5	Y314 A427	Y314-L474 HydrophobicContact CE1-CD2 3.54Å; Y314-L474 HydrophobicContact CE1-CG 4.45Å; A427-L474 HydrophobicContact CB-CD1 3.86Å
475	C	69.9	Low	62.5	Low	34 Å²	34	90.6 Å²	90.6	23%	0.23	49%	0.493	C	S	.	.			trans	-104.3	132.9	179.6	-56.8	0	0	0	0	111.1	C291 C472 L473 Q477	C291-C475 HydrophobicContact CB-CB 3.75Å; C291-C475 WeakPolarHBondContact CB-SG 3.3Å; C291-C475 WeakPolarHBondContact SG-CB 3.32Å; C291-C475 CovalentContact SG-SG 1.98Å; C291-C475 PolarHBondContact SG-SG 2.83Å; C472-C475 PolarHBondContact O-SG 2.99Å; L473-C475 PolarHBondContact O-N 3.01Å; C475-Q477 WeakPolarHBondContact O-CG 3.39Å; C475-Q477 PolarHBondContact O-N 3.41Å
476	D	58.1	Low	60	Low	128 Å²	128	92.7 Å²	92.7	68%	0.684	51%	0.512	S	S	*	.			trans	-61.6	102.6	175.5	-170.8	-4.9	0	0	0	109.2	T478	D476-T478 PolarHBondContact O-N 3.17Å; D476-T478 WeakPolarHBondContact OD1-CB 3.47Å; D476-T478 WeakPolarHBondContact OD1-CG2 3.15Å; D476-T478 PolarHBondContact OD1-N 3.45Å; D476-T478 PolarHBondContact OD1-OG1 3.36Å; D476-T478 PolarHBondContact OD2-OG1 3.03Å
477	Q	54	Low	57.7	Low	178 Å²	178	97.3 Å²	97.3	83%	0.832	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	12.4	-176	-63.2	-161.5	-2.8	0	0	113.4	C475	C475-Q477 WeakPolarHBondContact O-CG 3.39Å; C475-Q477 PolarHBondContact O-N 3.41Å
478	T	46	Very low	55.2	Low	107 Å²	107	100.5 Å²	100.5	66%	0.656	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	5.5	-174.8	64.8	0	0	0	0	115.8	D476	D476-T478 PolarHBondContact O-N 3.17Å; D476-T478 WeakPolarHBondContact OD1-CB 3.47Å; D476-T478 WeakPolarHBondContact OD1-CG2 3.15Å; D476-T478 PolarHBondContact OD1-N 3.45Å; D476-T478 PolarHBondContact OD1-OG1 3.36Å; D476-T478 PolarHBondContact OD2-OG1 3.03Å
479	K	34.8	Very low	53	Low	186 Å²	186	104.8 Å²	104.8	81%	0.809	59%	0.593	S	S	*	*			trans	-135.4	107.6	171	-83.5	-179.5	179.8	171.2	0	113.3	T481	K479-T481 PolarHBondContact O-N 3.28Å
480	P	34.8	Very low	50.9	Low	120 Å²	120	107.9 Å²	107.9	78%	0.779	61%	0.613	S	S	*	*			trans	-69.8	130.6	166.9	28.2	-28.8	0	0	0	109.7	L482	P480-L482 PolarHBondContact O-N 3.02Å
481	T	35.3	Very low	48.6	Very low	141 Å²	141	111.8 Å²	111.8	87%	0.865	65%	0.647	S	S	*	*			trans	-42.2	117	176.9	-42.7	0	0	0	0	112.7	K479	K479-T481 PolarHBondContact O-N 3.28Å
482	L	35.1	Very low	45.8	Very low	169 Å²	169	115 Å²	115	89%	0.885	68%	0.681	S	S	*	*			trans	-99.7	123.6	163.2	-100.4	146.2	0	0	0	107.4	P480	P480-L482 PolarHBondContact O-N 3.02Å
483	E	36.4	Very low	43.1	Very low	175 Å²	175	120.8 Å²	120.8	82%	0.818	72%	0.718	S	S	*	*			trans	-54.1	145.1	178.5	-61.2	-168	153.5	0	0	112.6	D485	E483-D485 PolarHBondContact O-N 2.54Å
484	P	35.2	Very low	40.6	Very low	134 Å²	134	130.6 Å²	130.6	87%	0.87	76%	0.761	S	S	*	*			trans	-85.9	93.7	-178.9	33.4	-29.4	0	0	0	110.3
485	D	36.2	Very low	38	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	78%	0.779	S	S	*	*			trans	-86.9	108.9	165.4	-118.2	-21.6	0	0	0	110.8	E483	E483-D485 PolarHBondContact O-N 2.54Å
486	S	33.6	Very low	36.1	Very low	98 Å²	98	140.9 Å²	140.9	69%	0.685	81%	0.81	S	S	*	*			trans	29.8	120.5	143.7	48.9	0	0	0	0	121.3
487	A	33	Very low	34.5	Very low	108 Å²	108	145.6 Å²	145.6	89%	0.893	82%	0.818	S	S	*	*			trans	81.2	124.5	141	0	0	0	0	0	120.5
488	G	35	Very low	33.4	Very low	69 Å²	69	147.1 Å²	147.1	71%	0.711	82%	0.822	S	S	*	*			trans	134	82.2	136.4	0	0	0	0	0	118.2
489	K	34.2	Very low	32.4	Very low	189 Å²	189	152.4 Å²	152.4	82%	0.822	83%	0.83	S	S	*	*			trans	50.3	123.9	130.9	-71.9	179.8	177.6	176	0	120.6
490	N	32.9	Very low	32.1	Very low	152 Å²	152	151.2 Å²	151.2	81%	0.813	83%	0.827	S	S	*	*			trans	76.4	108	136.3	-59.3	-13	0	0	0	118.8
491	A	35.1	Very low	31.8	Very low	105 Å²	105	152 Å²	152	87%	0.868	83%	0.83	S	S	*	*				179.3	126.7	116.7	0	0	0	0	0	111.2
492	G	30.9	Very low	31.4	Very low	71 Å²	71	151.2 Å²	151.2	73%	0.732	83%	0.825	S	S	*	*			trans	-74	-177.6	-177.5	0	0	0	0	0	116.4
493	P	29.7	Very low	31	Very low	131 Å²	131	150.9 Å²	150.9	85%	0.851	82%	0.824	S	S	*	*			trans	-90.2	151.7	-151	35.4	-34.8	0	0	0	113.2
494	K	32.8	Very low	30.6	Very low	208 Å²	208	149.7 Å²	149.7	90%	0.904	82%	0.823	S	S	*	*			trans	-125	109.6	164.7	-80	-172.4	177.8	178.2	0	111.3
495	M	25.6	Very low	30.3	Very low	173 Å²	173	151 Å²	151	85%	0.852	82%	0.823	S	S	*	*			trans	-46.2	138.7	159.5	-77.8	-171.7	132	0	0	111.9
496	L	29.9	Very low	29.8	Very low	168 Å²	168	147.8 Å²	147.8	88%	0.88	82%	0.817	S	S	*	*			trans	-132.4	93.7	156.4	-114	146.6	0	0	0	108.8	K498	L496-K498 PolarHBondContact O-N 2.86Å
497	R	25.3	Very low	29.5	Very low	227 Å²	227	150.5 Å²	150.5	86%	0.857	82%	0.823	S	S	*	*			trans	-57.9	126.8	161.6	-94.1	176.9	165.9	166.7	-3.3	108.7
498	K	30.9	Very low	29.2	Very low	210 Å²	210	152.7 Å²	152.7	91%	0.913	82%	0.82	S	S	*	*			trans	-116.7	117.9	154.8	-125.8	178.3	-177.1	-178.7	0	108.7	L496	L496-K498 PolarHBondContact O-N 2.86Å
499	R	24.1	Very low	28.9	Very low	217 Å²	217	156.8 Å²	156.8	82%	0.819	82%	0.819	S	S	*	*			trans	-92.4	140.8	179.5	-141.8	-177.4	-172	178.9	0.3	108
500	Q	28.1	Very low	28.9	Very low	162 Å²	162	151 Å²	151	76%	0.757	81%	0.806	S	S	*	*			trans	62.7	116	155.9	-76.7	166.9	-31.3	0	0	118.4
501	T	28.1	Very low	29	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	78%	0.781	S	S	*	*				-155.9	122.9	107.4	36	0	0	0	0	109.3	N503	T501-N503 PolarHBondContact O-N 2.81Å
502	T	26.9	Very low	29.5	Very low	124 Å²	124	144.7 Å²	144.7	76%	0.761	76%	0.761	S	S	*	*			trans	-45.6	124.9	162.9	46.3	0	0	0	0	111.2
503	N	28.1	Very low	30.4	Very low	161 Å²	161	142.3 Å²	142.3	86%	0.861	73%	0.731	S	S	*	*			trans	-151.4	111.2	151	-102.5	-11.4	0	0	0	109	T501 N505	T501-N503 PolarHBondContact O-N 2.81Å; N503-N505 PolarHBondContact O-N 2.89Å
504	N	27	Very low	31.2	Very low	150 Å²	150	137.8 Å²	137.8	80%	0.802	70%	0.701	S	S	*	*			trans	-48.4	125.4	170.2	-56.5	-25.5	0	0	0	109.7
505	N	28.5	Very low	32.1	Very low	161 Å²	161	127.9 Å²	127.9	86%	0.861	66%	0.658	S	S	*	*			trans	-166	61.7	154.2	-86.5	-17.7	0	0	0	105.6	N503	N503-N505 PolarHBondContact O-N 2.89Å
506	A	27.5	Very low	33.3	Very low	83 Å²	83	122 Å²	122	69%	0.686	63%	0.631	S	S	*	*			trans	-75.8	125.1	156.7	0	0	0	0	0	105.4	D508	A506-D508 VanDerWaalsContact C-N 3.25Å; A506-D508 PolarHBondContact O-N 3.06Å
507	L	27.1	Very low	34.3	Very low	154 Å²	154	114 Å²	114	81%	0.806	59%	0.59	S	S	*	*			trans	-67.8	95.6	163.2	-93.6	91	0	0	0	106.6	F509	L507-F509 HydrophobicContact CD2-CE2 4.46Å; L507-F509 PolarHBondContact O-N 3.03Å
508	D	26.8	Very low	35.4	Very low	154 Å²	154	104 Å²	104	82%	0.824	56%	0.555	S	S	*	*			trans	-57.6	110.1	165.8	-91	-28.8	0	0	0	108.6	A506	A506-D508 VanDerWaalsContact C-N 3.25Å; A506-D508 PolarHBondContact O-N 3.06Å
509	F	28.8	Very low	36	Very low	156 Å²	156	94 Å²	94	68%	0.684	51%	0.512	S	S	*	.			trans	-91.3	97.2	165.1	-93.8	-89.1	0	0	0	108.6	V67 L507	V67-F509 HydrophobicContact CG1-CE1 4.45Å; L507-F509 HydrophobicContact CD2-CE2 4.46Å; L507-F509 PolarHBondContact O-N 3.03Å
510	A	33.8	Very low	37.1	Very low	67 Å²	67	85.5 Å²	85.5	55%	0.554	48%	0.481	S	S	*	.			trans	-81.5	115.8	178.4	0	0	0	0	0	110.6	N512	A510-N512 WeakPolarHBondContact CB-OD1 3.42Å; A510-N512 PolarHBondContact O-N 3.2Å; A510-N512 VanDerWaalsContact O-N 3.1Å; A510-N512 PolarHBondContact O-OD1 2.89Å
511	C	35.3	Very low	38	Very low	43 Å²	43	79.3 Å²	79.3	29%	0.291	46%	0.46	S	S	.	.			trans	-62	108.3	151.7	-76.4	0	0	0	0	106.8	D513 V514	C511-D513 VanDerWaalsContact C-N 3.32Å; C511-D513 PolarHBondContact O-N 2.81Å; C511-V514 HydrophobicContact CB-CG2 3.51Å
512	N	45.3	Very low	38.4	Very low	82 Å²	82	81.3 Å²	81.3	44%	0.439	46%	0.458	S	S	.	.	S	Bend	trans	-73.2	-24	-166.9	-70.8	-29.4	0	0	0	113.5	A510	A510-N512 WeakPolarHBondContact CB-OD1 3.42Å; A510-N512 PolarHBondContact O-N 3.2Å; A510-N512 VanDerWaalsContact O-N 3.1Å; A510-N512 PolarHBondContact O-OD1 2.89Å
513	D	48.7	Very low	38.9	Very low	21 Å²	21	81.7 Å²	81.7	11%	0.112	45%	0.454	C	S	.	.			trans	-145.6	110.7	173.4	-73.3	-43.9	0	0	0	109.7	G61 W62 C511 H554	G61-D513 WeakPolarHBondContact CA-O 3.43Å; W62-D513 HydrophobicContact CD2-CB 4.29Å; W62-D513 HydrophobicContact CH2-CB 3.97Å; W62-D513 HydrophobicContact CZ2-CB 3.15Å; W62-D513 WeakPolarHBondContact CZ2-OD2 2.96Å; W62-D513 PolarHBondContact NE1-OD2 2.93Å; W62-D513 VanDerWaalsContact NE1-OD2 3.17Å; C511-D513 VanDerWaalsContact C-N 3.32Å; C511-D513 PolarHBondContact O-N 2.81Å; D513-H554 IonicContact OD2-CD2 2.89Å; D513-H554 IonicContact OD2-NE2 3.68Å; D513-H554 PolarHBondContact OD2-NE2 3.03Å; D513-H554 VanDerWaalsContact OD2-NE2 3.09Å
514	V	47.3	Very low	39.5	Very low	35 Å²	35	76.2 Å²	76.2	21%	0.212	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.9	172	179.5	0	0	0	0	108.2	C511 P529	C511-V514 HydrophobicContact CB-CG2 3.51Å; V514-P529 HydrophobicContact CB-CG 4.48Å; V514-P529 VanDerWaalsContact O-CD 3.29Å; V514-P529 WeakPolarHBondContact O-CD 2.96Å
515	I	51.9	Low	40.4	Very low	1 Å²	1	77.4 Å²	77.4	1%	0.005	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.9	176	-58.8	-173.6	0	0	0	109.4	I60 W62 I517 I536 L552	I60-I515 PolarHBondContact N-O 3.38Å; I60-I515 PolarHBondContact O-N 3.37Å; W62-I515 HydrophobicContact CH2-CD1 3.55Å; W62-I515 HydrophobicContact CH2-CG1 4Å; W62-I515 HydrophobicContact CZ3-CD1 3.87Å; W62-I515 HydrophobicContact CZ3-CG1 4.2Å; I515-I517 HydrophobicContact CG2-CD1 3.54Å; I515-I517 HydrophobicContact CG2-CG1 3.64Å; I515-I536 HydrophobicContact CD1-CB 4.49Å; I515-I536 HydrophobicContact CD1-CD1 3.32Å; I515-I536 HydrophobicContact CD1-CG1 3.62Å; I515-I536 HydrophobicContact CD1-CG2 4.08Å; I515-I536 HydrophobicContact CG1-CD1 3.28Å; I515-I536 HydrophobicContact CG1-CG1 4.13Å; I515-L552 HydrophobicContact CD1-CB 4.48Å; I515-L552 HydrophobicContact CD1-CD1 3.8Å; I515-L552 HydrophobicContact CD1-CD2 3.77Å; I515-L552 HydrophobicContact CD1-CG 4.22Å; I515-L552 HydrophobicContact CG2-CD2 4.2Å
516	T	49.3	Very low	41.1	Very low	48 Å²	48	73 Å²	73	29%	0.294	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.3	174.4	-40.2	0	0	0	0	109.1	A59 S527	A59-T516 HydrophobicContact CB-CG2 4.1Å; T516-S527 PolarHBondContact O-N 2.84Å
517	I	51.5	Low	41.8	Very low	1 Å²	1	71.9 Å²	71.9	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123	-178.6	-62.1	164.2	0	0	0	109.4	L58 I515 V526 A539 I550 L552	L58-I517 PolarHBondContact N-O 2.9Å; L58-I517 PolarHBondContact O-N 2.93Å; L58-I517 VanDerWaalsContact O-N 3.11Å; I515-I517 HydrophobicContact CG2-CD1 3.54Å; I515-I517 HydrophobicContact CG2-CG1 3.64Å; I517-V526 HydrophobicContact CG1-CG1 4.35Å; I517-V526 HydrophobicContact CG1-CG2 4.33Å; I517-A539 HydrophobicContact CD1-CB 3.86Å; I517-I550 HydrophobicContact CB-CD1 4.16Å; I517-I550 HydrophobicContact CB-CG1 4.41Å; I517-I550 HydrophobicContact CB-CG2 3.82Å; I517-I550 HydrophobicContact CD1-CG2 3.39Å; I517-I550 HydrophobicContact CG1-CG2 4.18Å; I517-I550 HydrophobicContact CG2-CB 4.41Å; I517-I550 HydrophobicContact CG2-CD1 4.02Å; I517-I550 HydrophobicContact CG2-CG1 3.85Å; I517-I550 HydrophobicContact CG2-CG2 3.78Å; I517-L552 HydrophobicContact CD1-CB 4.36Å; I517-L552 HydrophobicContact CD1-CD2 4.15Å
518	A	47.7	Very low	42.5	Very low	16 Å²	16	66.8 Å²	66.8	13%	0.132	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	125.5	171.8	0	0	0	0	0	109.6	W57 F520 R525	W57-A518 HydrophobicContact CB-CB 4.43Å; A518-F520 HydrophobicContact CB-CD2 4.39Å; A518-F520 HydrophobicContact CB-CE1 4.45Å; A518-F520 HydrophobicContact CB-CE2 3.46Å; A518-F520 VanDerWaalsContact CB-CE2 3.46Å; A518-F520 HydrophobicContact CB-CZ 3.5Å; A518-R525 PolarHBondContact N-O 3.21Å; A518-R525 VanDerWaalsContact N-O 3.15Å; A518-R525 PolarHBondContact O-N 2.94Å
519	A	44.8	Very low	42.9	Very low	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.6	178.5	0	0	0	0	0	109.8	T548 Y578	A519-T548 HydrophobicContact CB-CG2 3.82Å; A519-Y578 PolarHBondContact O-OH 3.26Å; A519-Y578 VanDerWaalsContact O-OH 3.05Å
520	F	47.4	Very low	43.2	Very low	39 Å²	39	61.4 Å²	61.4	17%	0.171	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	80.2	-178.5	-54.6	-74.3	0	0	0	110.6	A518 K522 L523 Y578 I600 F602	A518-F520 HydrophobicContact CB-CD2 4.39Å; A518-F520 HydrophobicContact CB-CE1 4.45Å; A518-F520 HydrophobicContact CB-CE2 3.46Å; A518-F520 VanDerWaalsContact CB-CE2 3.46Å; A518-F520 HydrophobicContact CB-CZ 3.5Å; F520-K522 PolarHBondContact O-N 3.03Å; F520-L523 CarbonylContact C-O 3.44Å; F520-L523 VanDerWaalsContact CA-O 3.3Å; F520-L523 WeakPolarHBondContact CA-O 3.28Å; F520-L523 HydrophobicContact CB-CB 4.26Å; F520-L523 VanDerWaalsContact CB-O 3.27Å; F520-L523 WeakPolarHBondContact CB-O 3.06Å; F520-L523 PolarHBondContact N-O 3.49Å; F520-L523 WeakPolarHBondContact O-CB 3.49Å; F520-L523 PolarHBondContact O-N 3.05Å; F520-Y578 HydrophobicContact CD1-CE2 4.14Å; F520-I600 HydrophobicContact CD1-CD1 3.45Å; F520-I600 VanDerWaalsContact CD1-CD1 3.45Å; F520-I600 HydrophobicContact CD1-CG1 3.97Å; F520-I600 HydrophobicContact CD1-CG2 4.41Å; F520-I600 HydrophobicContact CD2-CD1 4.21Å; F520-I600 HydrophobicContact CE1-CB 4.49Å; F520-I600 HydrophobicContact CE1-CD1 3.47Å; F520-I600 VanDerWaalsContact CE1-CD1 3.47Å; F520-I600 HydrophobicContact CE1-CG1 4.01Å; F520-I600 HydrophobicContact CE1-CG2 3.73Å; F520-I600 HydrophobicContact CE2-CD1 4.2Å; F520-I600 HydrophobicContact CG-CD1 3.84Å; F520-I600 HydrophobicContact CZ-CD1 3.84Å; F520-I600 HydrophobicContact CZ-CG2 4.43Å; F520-F602 HydrophobicContact CE1-CE1 4.42Å; F520-F602 HydrophobicContact CE1-CZ 4.25Å; F520-F602 HydrophobicContact CZ-CE1 4.29Å; F520-F602 AromaticContact CZ-CZ 3.9Å; F520-F602 HydrophobicContact CZ-CZ 3.9Å
521	G	45.4	Very low	43.5	Very low	32 Å²	32	67.2 Å²	67.2	33%	0.33	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-111.9	-177.8	0	0	0	0	0	111.6	D543	G521-D543 PolarHBondContact O-N 3.36Å
522	K	36.8	Very low	43.7	Very low	179 Å²	179	66.5 Å²	66.5	78%	0.778	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-4.4	173.5	-75.9	-172.3	178.5	-179.4	0	114.3	N31 F520	N31-K522 PolarHBondContact O-NZ 3.43Å; F520-K522 PolarHBondContact O-N 3.03Å
523	L	37.5	Very low	43.6	Very low	132 Å²	132	68.4 Å²	68.4	69%	0.691	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	111.1	-174.5	-88.8	147.6	0	0	0	110.2	F520	F520-L523 CarbonylContact C-O 3.44Å; F520-L523 VanDerWaalsContact CA-O 3.3Å; F520-L523 WeakPolarHBondContact CA-O 3.28Å; F520-L523 HydrophobicContact CB-CB 4.26Å; F520-L523 VanDerWaalsContact CB-O 3.27Å; F520-L523 WeakPolarHBondContact CB-O 3.06Å; F520-L523 PolarHBondContact N-O 3.49Å; F520-L523 WeakPolarHBondContact O-CB 3.49Å; F520-L523 PolarHBondContact O-N 3.05Å
524	S	42.3	Very low	43.7	Very low	46 Å²	46	71.8 Å²	71.8	32%	0.322	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.3	178.2	-25	0	0	0	0	108.8	D540 G541	S524-D540 PolarHBondContact OG-OD1 3.29Å; S524-G541 WeakPolarHBondContact CB-O 3.47Å; S524-G541 PolarHBondContact OG-O 2.66Å
525	R	43.9	Very low	44.2	Very low	175 Å²	175	70.6 Å²	70.6	66%	0.66	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.8	168.7	-89.2	-170.9	174.3	-172.2	-0.3	110	A518	A518-R525 PolarHBondContact N-O 3.21Å; A518-R525 VanDerWaalsContact N-O 3.15Å; A518-R525 PolarHBondContact O-N 2.94Å
526	V	43.8	Very low	44.6	Very low	69 Å²	69	72 Å²	72	42%	0.418	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.2	175.9	-178.1	0	0	0	0	107.6	I517 A539	I517-V526 HydrophobicContact CG1-CG1 4.35Å; I517-V526 HydrophobicContact CG1-CG2 4.33Å; V526-A539 HydrophobicContact CB-CB 4.38Å; V526-A539 HydrophobicContact CG1-CB 3.69Å; V526-A539 HydrophobicContact CG2-CB 3.77Å
527	S	43.4	Very low	45.2	Very low	59 Å²	59	72.6 Å²	72.6	41%	0.413	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.6	171.5	-166.7	0	0	0	0	109.8	T516	T516-S527 PolarHBondContact O-N 2.84Å
528	A	41	Very low	45.6	Very low	47 Å²	47	77.5 Å²	77.5	39%	0.388	43%	0.426	S	S	.	.			trans	-118.8	148.6	172.9	0	0	0	0	0	109.2	I536	A528-I536 HydrophobicContact CB-CD1 4.19Å
529	P	35.8	Very low	46.2	Very low	57 Å²	57	77.8 Å²	77.8	37%	0.37	43%	0.429	S	S	.	.			trans	-63.1	145.9	-176	-16.1	28.1	0	0	0	112	V514 Q531	V514-P529 HydrophobicContact CB-CG 4.48Å; V514-P529 VanDerWaalsContact O-CD 3.29Å; V514-P529 WeakPolarHBondContact O-CD 2.96Å; P529-Q531 PolarHBondContact O-N 2.96Å
530	P	34.2	Very low	47	Very low	140 Å²	140	80.7 Å²	80.7	91%	0.909	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	7.3	-178.8	26.5	-31.9	0	0	0	115.1
531	Q	40.2	Very low	47.6	Very low	189 Å²	189	78.8 Å²	78.8	88%	0.883	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	-3.7	-174.8	-77.7	-174.3	-3.1	0	0	115.8	P529	P529-Q531 PolarHBondContact O-N 2.96Å
532	S	39.5	Very low	48.4	Very low	28 Å²	28	81 Å²	81	20%	0.196	44%	0.437	C	S	.	.	S	Bend	trans	-87.2	128.4	175.3	62	0	0	0	0	110.6	S534	S532-S534 VanDerWaalsContact C-N 3.29Å; S532-S534 PolarHBondContact O-N 2.8Å
533	D	44.1	Very low	49.5	Very low	122 Å²	122	73.4 Å²	73.4	65%	0.652	41%	0.406	S	S	*	.			trans	-52.9	96.8	160.7	-99.4	-24.6	0	0	0	106.8	A535 K560	D533-A535 PolarHBondContact O-N 2.79Å; D533-K560 IonicContact OD2-NZ 3.03Å; D533-K560 PolarHBondContact OD2-NZ 3.25Å
534	S	49.8	Very low	50.6	Low	92 Å²	92	70.9 Å²	70.9	64%	0.643	40%	0.396	S	S	*	.			trans	-64.7	90.2	-161.6	57.8	0	0	0	0	112.7	S532 I536	S532-S534 VanDerWaalsContact C-N 3.29Å; S532-S534 PolarHBondContact O-N 2.8Å; S534-I536 PolarHBondContact O-N 2.84Å
535	A	58.2	Low	51.6	Low	10 Å²	10	76.3 Å²	76.3	8%	0.083	42%	0.421	C	S	.	.			trans	-77	-5.4	174.3	0	0	0	0	0	112.7	D533 H554 K555	D533-A535 PolarHBondContact O-N 2.79Å; A535-H554 VanDerWaalsContact CB-NE2 3.25Å; A535-H554 WeakPolarHBondContact CB-NE2 3.37Å; A535-H554 CarbonylContact O-C 3.46Å; A535-H554 WeakPolarHBondContact O-CA 3.23Å; A535-K555 PolarHBondContact O-N 3.18Å
536	I	59.3	Low	52.4	Low	32 Å²	32	69.5 Å²	69.5	16%	0.164	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.4	175.7	-50.5	166	0	0	0	109.1	I515 A528 S534 R553	I515-I536 HydrophobicContact CD1-CB 4.49Å; I515-I536 HydrophobicContact CD1-CD1 3.32Å; I515-I536 HydrophobicContact CD1-CG1 3.62Å; I515-I536 HydrophobicContact CD1-CG2 4.08Å; I515-I536 HydrophobicContact CG1-CD1 3.28Å; I515-I536 HydrophobicContact CG1-CG1 4.13Å; A528-I536 HydrophobicContact CB-CD1 4.19Å; S534-I536 PolarHBondContact O-N 2.84Å; I536-R553 CarbonylContact C-O 3.58Å; I536-R553 WeakPolarHBondContact CA-O 3.29Å
537	V	62.5	Low	53.2	Low	59 Å²	59	73.2 Å²	73.2	36%	0.358	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-31.9	-174.4	-169.3	0	0	0	0	111.4	E45 R553 K555	E45-V537 HydrophobicContact CG-CG2 4.44Å; E45-V537 WeakPolarHBondContact OE1-CG2 3.41Å; V537-R553 HydrophobicContact CB-CB 4.24Å; V537-R553 PolarHBondContact N-O 3.17Å; V537-K555 HydrophobicContact CG2-CB 4.43Å; V537-K555 HydrophobicContact CG2-CD 3.88Å; V537-K555 HydrophobicContact CG2-CG 3.59Å
538	W	60.4	Low	54.2	Low	104 Å²	104	70.4 Å²	70.4	39%	0.394	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	149	-175.8	-179.6	86.3	0	0	0	110.6	D540 A551 L552 R553	W538-D540 HydrophobicContact CH2-CB 3.35Å; W538-D540 HydrophobicContact CZ2-CB 3.28Å; W538-D540 HydrophobicContact CZ3-CB 4.14Å; W538-A551 HydrophobicContact CH2-CB 3.85Å; W538-A551 HydrophobicContact CZ3-CB 3.5Å; W538-L552 CarbonylContact O-C 3.59Å; W538-L552 VanDerWaalsContact O-CA 3.23Å; W538-L552 WeakPolarHBondContact O-CA 3.22Å; W538-R553 HydrophobicContact CB-CB 4.09Å; W538-R553 HydrophobicContact CB-CG 4.28Å; W538-R553 HydrophobicContact CE3-CG 4.12Å; W538-R553 PolarHBondContact O-N 3.26Å
539	A	60.8	Low	55.3	Low	22 Å²	22	68.8 Å²	68.8	18%	0.182	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	145.4	169.2	0	0	0	0	0	111	I517 V526 A551 L552	I517-A539 HydrophobicContact CD1-CB 3.86Å; V526-A539 HydrophobicContact CB-CB 4.38Å; V526-A539 HydrophobicContact CG1-CB 3.69Å; V526-A539 HydrophobicContact CG2-CB 3.77Å; A539-A551 CarbonylContact C-O 3.45Å; A539-A551 WeakPolarHBondContact CA-O 3.29Å; A539-L552 HydrophobicContact CB-CB 4Å
540	D	59.9	Low	56.8	Low	61 Å²	61	66.1 Å²	66.1	33%	0.326	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.7	179.1	-174	23.4	0	0	0	110.3	S524 W538 I550 A551	S524-D540 PolarHBondContact OG-OD1 3.29Å; W538-D540 HydrophobicContact CH2-CB 3.35Å; W538-D540 HydrophobicContact CZ2-CB 3.28Å; W538-D540 HydrophobicContact CZ3-CB 4.14Å; D540-I550 CarbonylContact O-C 3.59Å; D540-I550 WeakPolarHBondContact O-CA 3.39Å; D540-A551 PolarHBondContact N-O 2.82Å; D540-A551 PolarHBondContact O-N 2.04Å
541	G	60.3	Low	58.3	Low	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	135.9	174.9	0	0	0	0	0	112.5	S524 T549	S524-G541 WeakPolarHBondContact CB-O 3.47Å; S524-G541 PolarHBondContact OG-O 2.66Å; G541-T549 CarbonylContact C-O 3.55Å; G541-T549 WeakPolarHBondContact CA-O 3.23Å
542	H	61.8	Low	59.7	Low	77 Å²	77	51.1 Å²	51.1	36%	0.356	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.6	-179.3	58	-89	0	0	0	111.6	T549	H542-T549 VanDerWaalsContact CE1-CB 3.48Å; H542-T549 WeakPolarHBondContact CE1-CB 3.31Å; H542-T549 VanDerWaalsContact CE1-CG2 3.45Å; H542-T549 WeakPolarHBondContact CE1-CG2 3.05Å; H542-T549 PolarHBondContact N-O 2.92Å; H542-T549 WeakPolarHBondContact NE2-CB 3.49Å; H542-T549 PolarHBondContact O-N 2.9Å
543	D	61.1	Low	61.1	Low	21 Å²	21	54.3 Å²	54.3	11%	0.112	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122	173	-169.1	-92.4	0	0	0	110	R55 G521 R547 T548	R55-D543 WeakPolarHBondContact CG-OD2 3.31Å; R55-D543 IonicContact NE-OD1 3.15Å; G521-D543 PolarHBondContact O-N 3.36Å; D543-R547 WeakPolarHBondContact CA-O 3.44Å; D543-T548 PolarHBondContact OD2-OG1 2.98Å
544	V	60.9	Low	62.3	Low	79 Å²	79	48.7 Å²	48.7	48%	0.479	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.9	178.9	175.3	0	0	0	0	109	G546 R547	V544-G546 VanDerWaalsContact C-N 3.26Å; V544-G546 PolarHBondContact O-N 2.84Å; V544-R547 PolarHBondContact N-O 3.32Å; V544-R547 WeakPolarHBondContact O-CA 3.25Å; V544-R547 WeakPolarHBondContact O-CB 3.33Å; V544-R547 PolarHBondContact O-N 3.24Å
545	D	62.5	Low	63	Low	160 Å²	160	48.1 Å²	48.1	86%	0.856	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	36.7	177.3	-57.4	-31.4	0	0	0	114.4	R547	D545-R547 PolarHBondContact O-N 2.98Å
546	G	60.7	Low	63.1	Low	32 Å²	32	49.6 Å²	49.6	33%	0.33	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	30.6	-175.1	0	0	0	0	0	112.1	K54 V544	K54-G546 CarbonylContact C-O 3.45Å; K54-G546 WeakPolarHBondContact CA-O 3.45Å; K54-G546 PolarHBondContact N-O 3.4Å; V544-G546 VanDerWaalsContact C-N 3.26Å; V544-G546 PolarHBondContact O-N 2.84Å
547	R	61.1	Low	62.9	Low	146 Å²	146	53.7 Å²	53.7	55%	0.551	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.3	164.4	-69.7	-176.7	178.3	-162.1	-1	109	C52 D543 V544 D545	C52-R547 WeakPolarHBondContact O-CA 3.31Å; D543-R547 WeakPolarHBondContact CA-O 3.44Å; V544-R547 PolarHBondContact N-O 3.32Å; V544-R547 WeakPolarHBondContact O-CA 3.25Å; V544-R547 WeakPolarHBondContact O-CB 3.33Å; V544-R547 PolarHBondContact O-N 3.24Å; D545-R547 PolarHBondContact O-N 2.98Å
548	T	64.9	Low	62.1	Low	1 Å²	1	53.8 Å²	53.8	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.1	168	-60.5	0	0	0	0	109.6	Q51 C52 K54 S56 A519 D543 I550	Q51-T548 CarbonylContact C-O 3.5Å; Q51-T548 WeakPolarHBondContact CA-O 3.4Å; C52-T548 PolarHBondContact N-O 3.23Å; C52-T548 PolarHBondContact O-N 3.33Å; K54-T548 PolarHBondContact O-N 2.87Å; K54-T548 PolarHBondContact O-OG1 3.09Å; S56-T548 PolarHBondContact N-OG1 3.16Å; S56-T548 WeakPolarHBondContact O-CG2 3.44Å; S56-T548 PolarHBondContact O-OG1 3.32Å; A519-T548 HydrophobicContact CB-CG2 3.82Å; D543-T548 PolarHBondContact OD2-OG1 2.98Å; T548-I550 HydrophobicContact CG2-CD1 4.11Å; T548-I550 HydrophobicContact CG2-CG1 4.15Å
549	T	63.2	Low	61.3	Low	13 Å²	13	55.1 Å²	55.1	8%	0.08	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.7	174.6	-57.9	0	0	0	0	109.1	I49 L50 Q51 G541 H542	I49-T549 HydrophobicContact CG2-CG2 4.18Å; L50-T549 CarbonylContact O-C 3.49Å; L50-T549 WeakPolarHBondContact O-CA 3.3Å; Q51-T549 HydrophobicContact CG-CG2 4.21Å; G541-T549 CarbonylContact C-O 3.55Å; G541-T549 WeakPolarHBondContact CA-O 3.23Å; H542-T549 VanDerWaalsContact CE1-CB 3.48Å; H542-T549 WeakPolarHBondContact CE1-CB 3.31Å; H542-T549 VanDerWaalsContact CE1-CG2 3.45Å; H542-T549 WeakPolarHBondContact CE1-CG2 3.05Å; H542-T549 PolarHBondContact N-O 2.92Å; H542-T549 WeakPolarHBondContact NE2-CB 3.49Å; H542-T549 PolarHBondContact O-N 2.9Å
550	I	67.5	Low	60.6	Low	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.7	179.6	-71.1	168.8	0	0	0	108.1	I49 L50 L58 I517 D540 T548	I49-I550 CarbonylContact C-O 3.59Å; I49-I550 WeakPolarHBondContact CA-O 3.09Å; L50-I550 HydrophobicContact CB-CB 4.45Å; L50-I550 PolarHBondContact N-O 3.35Å; L50-I550 PolarHBondContact O-N 3.13Å; L58-I550 HydrophobicContact CB-CD1 3.38Å; L58-I550 HydrophobicContact CD2-CB 4.39Å; L58-I550 HydrophobicContact CD2-CD1 3.8Å; L58-I550 HydrophobicContact CG-CD1 4.23Å; I517-I550 HydrophobicContact CB-CD1 4.16Å; I517-I550 HydrophobicContact CB-CG1 4.41Å; I517-I550 HydrophobicContact CB-CG2 3.82Å; I517-I550 HydrophobicContact CD1-CG2 3.39Å; I517-I550 HydrophobicContact CG1-CG2 4.18Å; I517-I550 HydrophobicContact CG2-CB 4.41Å; I517-I550 HydrophobicContact CG2-CD1 4.02Å; I517-I550 HydrophobicContact CG2-CG1 3.85Å; I517-I550 HydrophobicContact CG2-CG2 3.78Å; D540-I550 CarbonylContact O-C 3.59Å; D540-I550 WeakPolarHBondContact O-CA 3.39Å; T548-I550 HydrophobicContact CG2-CD1 4.11Å; T548-I550 HydrophobicContact CG2-CG1 4.15Å
551	A	64.7	Low	60	Low	13 Å²	13	58.6 Å²	58.6	11%	0.107	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.4	-178.9	0	0	0	0	0	110.3	L48 I49 W538 A539 D540	L48-A551 CarbonylContact O-C 3.55Å; L48-A551 VanDerWaalsContact O-CA 3.25Å; L48-A551 WeakPolarHBondContact O-CA 3.3Å; I49-A551 HydrophobicContact CG1-CB 4.29Å; W538-A551 HydrophobicContact CH2-CB 3.85Å; W538-A551 HydrophobicContact CZ3-CB 3.5Å; A539-A551 CarbonylContact C-O 3.45Å; A539-A551 WeakPolarHBondContact CA-O 3.29Å; D540-A551 PolarHBondContact N-O 2.82Å; D540-A551 PolarHBondContact O-N 2.04Å
552	L	70.4	Confident	59.5	Low	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	153.9	178.2	67.3	92.6	0	0	0	112.1	E47 L48 I60 I515 I517 W538 A539	E47-L552 CarbonylContact C-O 3.59Å; E47-L552 WeakPolarHBondContact CA-O 3.46Å; L48-L552 HydrophobicContact CB-CD1 3.86Å; L48-L552 HydrophobicContact CB-CD2 4.4Å; L48-L552 HydrophobicContact CB-CG 3.8Å; L48-L552 HydrophobicContact CD1-CD1 3.66Å; L48-L552 HydrophobicContact CD1-CG 4.44Å; L48-L552 HydrophobicContact CG-CD1 4.4Å; L48-L552 PolarHBondContact N-O 3.02Å; L48-L552 PolarHBondContact O-N 3.02Å; I60-L552 HydrophobicContact CD1-CD2 4.05Å; I515-L552 HydrophobicContact CD1-CB 4.48Å; I515-L552 HydrophobicContact CD1-CD1 3.8Å; I515-L552 HydrophobicContact CD1-CD2 3.77Å; I515-L552 HydrophobicContact CD1-CG 4.22Å; I515-L552 HydrophobicContact CG2-CD2 4.2Å; I517-L552 HydrophobicContact CD1-CB 4.36Å; I517-L552 HydrophobicContact CD1-CD2 4.15Å; W538-L552 CarbonylContact O-C 3.59Å; W538-L552 VanDerWaalsContact O-CA 3.23Å; W538-L552 WeakPolarHBondContact O-CA 3.22Å; A539-L552 HydrophobicContact CB-CB 4Å
553	R	68.1	Low	59.1	Low	96 Å²	96	59.7 Å²	59.7	36%	0.362	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.4	176.5	-67.1	-177.1	-178.1	170.6	2	111.4	L46 E47 I536 V537 W538	L46-R553 CarbonylContact O-C 3.53Å; L46-R553 VanDerWaalsContact O-CA 3.27Å; L46-R553 WeakPolarHBondContact O-CA 3.4Å; E47-R553 HydrophobicContact CB-CG 4.33Å; E47-R553 HydrophobicContact CG-CG 4.27Å; E47-R553 IonicContact OE1-CZ 2.79Å; E47-R553 IonicContact OE1-NE 3.99Å; E47-R553 PolarHBondContact OE1-NE 2.69Å; E47-R553 VanDerWaalsContact OE1-NE 3.15Å; E47-R553 IonicContact OE1-NH2 2.81Å; E47-R553 PolarHBondContact OE1-NH2 3.19Å; I536-R553 CarbonylContact C-O 3.58Å; I536-R553 WeakPolarHBondContact CA-O 3.29Å; V537-R553 HydrophobicContact CB-CB 4.24Å; V537-R553 PolarHBondContact N-O 3.17Å; W538-R553 HydrophobicContact CB-CB 4.09Å; W538-R553 HydrophobicContact CB-CG 4.28Å; W538-R553 HydrophobicContact CE3-CG 4.12Å; W538-R553 PolarHBondContact O-N 3.26Å
554	H	69.4	Low	58.6	Low	3 Å²	3	62.4 Å²	62.4	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.7	-177.7	-175.5	-77	0	0	0	112	E45 L46 W62 D513 A535	E45-H554 CarbonylContact C-O 3.54Å; E45-H554 WeakPolarHBondContact CA-O 3.26Å; L46-H554 PolarHBondContact N-O 2.95Å; L46-H554 PolarHBondContact O-N 3.46Å; W62-H554 AromaticContact CH2-CD2 3.7Å; W62-H554 AromaticContact CZ2-CD2 3.18Å; W62-H554 WeakPolarHBondContact CZ2-CD2 3.38Å; W62-H554 AromaticContact CZ2-NE2 3.41Å; W62-H554 WeakPolarHBondContact CZ2-NE2 3.38Å; D513-H554 IonicContact OD2-CD2 2.89Å; D513-H554 IonicContact OD2-NE2 3.68Å; D513-H554 PolarHBondContact OD2-NE2 3.03Å; D513-H554 VanDerWaalsContact OD2-NE2 3.09Å; A535-H554 VanDerWaalsContact CB-NE2 3.25Å; A535-H554 WeakPolarHBondContact CB-NE2 3.37Å; A535-H554 CarbonylContact O-C 3.46Å; A535-H554 WeakPolarHBondContact O-CA 3.23Å
555	K	64.9	Low	57.9	Low	81 Å²	81	62.7 Å²	62.7	35%	0.352	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.9	178.4	-89.9	170.4	-178.7	179.8	0	112.7	E42 N44 E45 A535 V537	E42-K555 IonicContact OE1-NZ 3.78Å; N44-K555 CarbonylContact O-C 3.54Å; N44-K555 WeakPolarHBondContact O-CA 3.2Å; E45-K555 HydrophobicContact CG-CG 4.16Å; A535-K555 PolarHBondContact O-N 3.18Å; V537-K555 HydrophobicContact CG2-CB 4.43Å; V537-K555 HydrophobicContact CG2-CD 3.88Å; V537-K555 HydrophobicContact CG2-CG 3.59Å
556	L	61.8	Low	57.4	Low	41 Å²	41	61 Å²	61	22%	0.215	32%	0.322	C	S	.	.	S	Bend	trans	-74.1	-28.9	179.7	-67.7	172.5	0	0	0	113.9	N44 L46 S561 L563 F618	N44-L556 WeakPolarHBondContact O-CB 3.32Å; N44-L556 PolarHBondContact O-N 3.15Å; L46-L556 HydrophobicContact CB-CD2 3.96Å; L46-L556 HydrophobicContact CB-CG 4.3Å; L556-S561 PolarHBondContact O-OG 3.39Å; L556-L563 HydrophobicContact CD2-CB 4.46Å; L556-F618 HydrophobicContact CD1-CE1 4.46Å; L556-F618 HydrophobicContact CD2-CE1 4.41Å; L556-F618 HydrophobicContact CD2-CZ 3.79Å
557	D	53.3	Low	57.2	Low	117 Å²	117	61.8 Å²	61.8	63%	0.626	32%	0.319	S	S	*	.			trans	-116.1	84.4	-168.4	-166.7	12.5	0	0	0	112.2	N44	N44-D557 HydrophobicContact CB-CB 4.03Å; N44-D557 VanDerWaalsContact ND2-CB 3.32Å; N44-D557 WeakPolarHBondContact ND2-CB 3.42Å; N44-D557 PolarHBondContact ND2-OD2 3.28Å; N44-D557 VanDerWaalsContact ND2-OD2 3.13Å
558	T	46.8	Very low	57.2	Low	61 Å²	61	61.4 Å²	61.4	37%	0.374	32%	0.317	S	S	.	.			trans	-130.4	146.8	161.8	68.1	0	0	0	0	108.3	K560 S561	T558-K560 PolarHBondContact O-N 3.12Å; T558-S561 WeakPolarHBondContact O-CB 3.12Å; T558-S561 PolarHBondContact O-N 2.99Å; T558-S561 WeakPolarHBondContact OG1-CA 3.3Å; T558-S561 VanDerWaalsContact OG1-CB 3.28Å; T558-S561 WeakPolarHBondContact OG1-CB 3.47Å; T558-S561 PolarHBondContact OG1-N 2.89Å
559	S	43.4	Very low	57.1	Low	132 Å²	132	61.5 Å²	61.5	92%	0.923	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	4.8	175.8	50.9	0	0	0	0	114.6
560	K	46	Very low	57	Low	138 Å²	138	62.1 Å²	62.1	60%	0.6	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	7.3	176.3	-58.3	-176.2	-174.1	174.8	0	112.3	D533 T558 H562	D533-K560 IonicContact OD2-NZ 3.03Å; D533-K560 PolarHBondContact OD2-NZ 3.25Å; T558-K560 PolarHBondContact O-N 3.12Å; K560-H562 PolarHBondContact O-CD2 3.01Å; K560-H562 PolarHBondContact O-N 3.41Å
561	S	46.4	Very low	56.8	Low	18 Å²	18	62.2 Å²	62.2	13%	0.126	32%	0.322	C	S	.	.			trans	-75.2	118.6	-180	170.5	0	0	0	0	109.1	L556 T558 L563	L556-S561 PolarHBondContact O-OG 3.39Å; T558-S561 WeakPolarHBondContact O-CB 3.12Å; T558-S561 PolarHBondContact O-N 2.99Å; T558-S561 WeakPolarHBondContact OG1-CA 3.3Å; T558-S561 VanDerWaalsContact OG1-CB 3.28Å; T558-S561 WeakPolarHBondContact OG1-CB 3.47Å; T558-S561 PolarHBondContact OG1-N 2.89Å; S561-L563 VanDerWaalsContact C-N 3.29Å; S561-L563 PolarHBondContact OG-N 3.35Å
562	H	51.5	Low	56.8	Low	97 Å²	97	62.2 Å²	62.2	45%	0.449	32%	0.32	S	S	.	.	S	Bend	trans	-86.3	0.7	176.4	-64.7	-72.5	0	0	0	113.1	S64 K560 L564	S64-H562 WeakPolarHBondContact CB-O 3.42Å; K560-H562 PolarHBondContact O-CD2 3.01Å; K560-H562 PolarHBondContact O-N 3.41Å; H562-L564 VanDerWaalsContact C-N 3.32Å; H562-L564 PolarHBondContact O-N 3.22Å
563	L	52.2	Low	56.7	Low	4 Å²	4	65.7 Å²	65.7	2%	0.021	33%	0.334	C	S	.	.			trans	-90.6	71.9	170	-81.5	161.6	0	0	0	108.7	L46 L556 S561 T569 F617	L46-L563 HydrophobicContact CD2-CD1 4.33Å; L556-L563 HydrophobicContact CD2-CB 4.46Å; S561-L563 VanDerWaalsContact C-N 3.29Å; S561-L563 PolarHBondContact OG-N 3.35Å; L563-T569 HydrophobicContact CD2-CG2 4.03Å; L563-F617 HydrophobicContact CD2-CD2 3.57Å; L563-F617 HydrophobicContact CD2-CE2 3.55Å
564	L	50.9	Low	56.4	Low	77 Å²	77	61.6 Å²	61.6	40%	0.403	32%	0.32	S	S	.	.			trans	-74.2	138.9	177.7	-71.9	172.3	0	0	0	110.6	H562 N566 D567 F618	H562-L564 VanDerWaalsContact C-N 3.32Å; H562-L564 PolarHBondContact O-N 3.22Å; L564-N566 PolarHBondContact O-N 2.93Å; L564-D567 VanDerWaalsContact CB-OD2 3.28Å; L564-D567 WeakPolarHBondContact CB-OD2 3.42Å; L564-D567 WeakPolarHBondContact CD1-OD2 3.14Å; L564-D567 PolarHBondContact O-N 2.77Å; L564-F618 WeakPolarHBondContact O-CE2 3.48Å
565	P	45.7	Very low	56.3	Low	86 Å²	86	64.4 Å²	64.4	56%	0.558	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	105.8	176.4	25.6	-29.9	0	0	0	110.3	F618	P565-F618 HydrophobicContact CB-CD1 4.3Å; P565-F618 HydrophobicContact CB-CE1 4.17Å; P565-F618 HydrophobicContact CB-CE2 4.39Å; P565-F618 HydrophobicContact CB-CG 4.45Å; P565-F618 HydrophobicContact CB-CZ 4.2Å
566	N	53	Low	56.4	Low	124 Å²	124	61 Å²	61	66%	0.663	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.8	-6.3	173	-65	-34.6	0	0	0	115.7	L564	L564-N566 PolarHBondContact O-N 2.93Å
567	D	57	Low	56.5	Low	48 Å²	48	63.2 Å²	63.2	26%	0.257	33%	0.327	S	S	.	.			trans	-87.7	144.2	-178.9	-66	-23.3	0	0	0	111.7	L564 T569	L564-D567 VanDerWaalsContact CB-OD2 3.28Å; L564-D567 WeakPolarHBondContact CB-OD2 3.42Å; L564-D567 WeakPolarHBondContact CD1-OD2 3.14Å; L564-D567 PolarHBondContact O-N 2.77Å; D567-T569 PolarHBondContact O-N 2.78Å
568	R	60.4	Low	56.8	Low	138 Å²	138	57.9 Å²	57.9	52%	0.521	30%	0.298	S	S	.	.			trans	-70.2	135.9	169.2	-32.9	172.7	82.6	165.2	0.8	106.7	D65 L614	D65-R568 WeakPolarHBondContact CB-O 3.07Å; D65-R568 VanDerWaalsContact CG-O 3.26Å; D65-R568 PolarHBondContact N-O 3.07Å; D65-R568 WeakPolarHBondContact OD2-CB 3.15Å; D65-R568 WeakPolarHBondContact OD2-CD 3.44Å; D65-R568 WeakPolarHBondContact OD2-CG 3.07Å; R568-L614 HydrophobicContact CB-CD1 3.84Å; R568-L614 HydrophobicContact CB-CD2 4.32Å; R568-L614 HydrophobicContact CB-CG 3.9Å; R568-L614 VanDerWaalsContact CZ-CD2 3.41Å; R568-L614 VanDerWaalsContact NE-CD2 3.29Å
569	T	62.2	Low	57.1	Low	3 Å²	3	57.9 Å²	57.9	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	179.2	-53.5	0	0	0	0	107.9	W62 I63 L563 D567 L571 I615 F617	W62-T569 HydrophobicContact CB-CG2 3.71Å; I63-T569 WeakPolarHBondContact O-CG2 3.47Å; L563-T569 HydrophobicContact CD2-CG2 4.03Å; D567-T569 PolarHBondContact O-N 2.78Å; T569-L571 PolarHBondContact O-N 2.71Å; T569-I615 PolarHBondContact N-O 3.37Å; T569-I615 PolarHBondContact O-N 3.19Å; T569-F617 HydrophobicContact CG2-CD2 4.44Å; T569-F617 HydrophobicContact CG2-CE2 3.74Å
570	T	62.2	Low	57.4	Low	27 Å²	27	54.1 Å²	54.1	17%	0.166	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	113.5	170.8	-65.8	0	0	0	0	108.2	W62 I63 L572 K612 L614	W62-T570 CarbonylContact C-O 3.53Å; W62-T570 VanDerWaalsContact CA-O 3.25Å; W62-T570 WeakPolarHBondContact CA-O 3.49Å; I63-T570 PolarHBondContact N-O 2.92Å; I63-T570 PolarHBondContact O-N 3.39Å; T570-L572 HydrophobicContact CG2-CD2 4.28Å; T570-K612 HydrophobicContact CG2-CB 4.25Å; T570-L614 WeakPolarHBondContact OG1-CD1 3.14Å
571	L	63.5	Low	57.4	Low	3 Å²	3	54.2 Å²	54.2	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.1	174.5	-165.6	150	0	0	0	109.7	L48 I60 T569 W573 K612 F613 I615 F617	L48-L571 HydrophobicContact CD2-CD1 4.45Å; I60-L571 HydrophobicContact CG2-CD1 4.28Å; I60-L571 HydrophobicContact CG2-CD2 3.96Å; I60-L571 HydrophobicContact CG2-CG 4.14Å; T569-L571 PolarHBondContact O-N 2.71Å; L571-W573 HydrophobicContact CD2-CB 4.13Å; L571-K612 CarbonylContact O-C 3.52Å; L571-K612 VanDerWaalsContact O-CA 3.27Å; L571-K612 WeakPolarHBondContact O-CA 3.46Å; L571-F613 HydrophobicContact CB-CD1 4.27Å; L571-F613 HydrophobicContact CB-CD2 4.28Å; L571-F613 HydrophobicContact CB-CE1 4.02Å; L571-F613 HydrophobicContact CB-CE2 3.98Å; L571-F613 HydrophobicContact CB-CG 4.42Å; L571-F613 HydrophobicContact CB-CZ 3.86Å; L571-F613 HydrophobicContact CD1-CE1 4.16Å; L571-F613 HydrophobicContact CD1-CE2 4.19Å; L571-F613 HydrophobicContact CD1-CZ 3.6Å; L571-F613 HydrophobicContact CD2-CD1 4.07Å; L571-F613 HydrophobicContact CD2-CE1 3.39Å; L571-F613 HydrophobicContact CD2-CZ 3.76Å; L571-F613 HydrophobicContact CG-CE1 4.03Å; L571-F613 HydrophobicContact CG-CE2 4.49Å; L571-F613 HydrophobicContact CG-CZ 3.92Å; L571-F613 PolarHBondContact N-O 3.03Å; L571-F613 PolarHBondContact O-N 2.63Å; L571-I615 HydrophobicContact CB-CG2 4.27Å; L571-F617 HydrophobicContact CD1-CZ 4.24Å
572	L	63.2	Low	57	Low	12 Å²	12	61.4 Å²	61.4	6%	0.063	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	175.3	-56.8	173	0	0	0	108.5	I60 G61 I63 I73 T570 K612	I60-L572 CarbonylContact C-O 3.58Å; I60-L572 VanDerWaalsContact CA-O 3.31Å; I60-L572 WeakPolarHBondContact CA-O 3.48Å; G61-L572 PolarHBondContact N-O 3.12Å; G61-L572 PolarHBondContact O-N 3.39Å; I63-L572 HydrophobicContact CD1-CD1 3.86Å; I73-L572 HydrophobicContact CG2-CD1 3.82Å; I73-L572 HydrophobicContact CG2-CD2 4.23Å; T570-L572 HydrophobicContact CG2-CD2 4.28Å; L572-K612 HydrophobicContact CD2-CB 4.04Å
573	W	68	Low	56.1	Low	74 Å²	74	60.8 Å²	60.8	28%	0.28	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.7	177.1	64.8	-85.6	0	0	0	111.5	A59 L571 K575 K609 S610 G611 F613	A59-W573 CarbonylContact O-C 3.52Å; A59-W573 VanDerWaalsContact O-CA 3.27Å; A59-W573 WeakPolarHBondContact O-CA 3.49Å; L571-W573 HydrophobicContact CD2-CB 4.13Å; W573-K575 HydrophobicContact CE3-CB 4.44Å; W573-K575 HydrophobicContact CE3-CG 4.45Å; W573-K575 HydrophobicContact CZ3-CB 4.37Å; W573-K575 HydrophobicContact CZ3-CD 3.87Å; W573-K575 HydrophobicContact CZ3-CG 3.9Å; W573-K609 HydrophobicContact CH2-CB 3.99Å; W573-K609 HydrophobicContact CZ3-CB 3.91Å; W573-K609 WeakPolarHBondContact CZ3-O 3.33Å; W573-S610 CarbonylContact O-C 3.6Å; W573-S610 WeakPolarHBondContact O-CA 3.32Å; W573-S610 WeakPolarHBondContact O-CB 3.17Å; W573-G611 PolarHBondContact N-O 2.8Å; W573-G611 PolarHBondContact NE1-O 2.68Å; W573-G611 PolarHBondContact O-N 2.72Å; W573-F613 AromaticContact CD1-CD1 3.93Å
574	A	62.4	Low	55.1	Low	9 Å²	9	64.2 Å²	64.2	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.1	170.3	0	0	0	0	0	109.7	W57 L58 A59 Y608 K609	W57-A574 HydrophobicContact CH2-CB 4.13Å; W57-A574 HydrophobicContact CZ3-CB 3.93Å; L58-A574 CarbonylContact C-O 3.51Å; L58-A574 VanDerWaalsContact CA-O 3.29Å; L58-A574 WeakPolarHBondContact CA-O 3.31Å; L58-A574 WeakPolarHBondContact CD1-O 3.44Å; A59-A574 HydrophobicContact CB-CB 4.2Å; A59-A574 PolarHBondContact N-O 3.14Å; A59-A574 PolarHBondContact O-N 2.91Å; A574-Y608 HydrophobicContact CB-CD2 3.54Å; A574-Y608 HydrophobicContact CB-CE2 3.97Å; A574-Y608 HydrophobicContact CB-CG 4.46Å; A574-K609 CarbonylContact C-O 3.36Å; A574-K609 VanDerWaalsContact CA-O 3.26Å; A574-K609 WeakPolarHBondContact CA-O 3.48Å
575	K	67.9	Low	54.3	Low	63 Å²	63	69.4 Å²	69.4	27%	0.274	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.1	179	85.2	-174.1	-178.1	172.5	0	111.7	W57 L58 W573 Y608 K609	W57-K575 WeakPolarHBondContact O-CA 3.31Å; L58-K575 HydrophobicContact CD1-CB 3.88Å; W573-K575 HydrophobicContact CE3-CB 4.44Å; W573-K575 HydrophobicContact CE3-CG 4.45Å; W573-K575 HydrophobicContact CZ3-CB 4.37Å; W573-K575 HydrophobicContact CZ3-CD 3.87Å; W573-K575 HydrophobicContact CZ3-CG 3.9Å; K575-Y608 CarbonylContact O-C 3.46Å; K575-Y608 WeakPolarHBondContact O-CA 3.44Å; K575-Y608 WeakPolarHBondContact O-CB 3.12Å; K575-K609 HydrophobicContact CG-CB 4.18Å; K575-K609 PolarHBondContact N-O 2.91Å; K575-K609 PolarHBondContact O-N 2.87Å
576	E	66.8	Low	53.6	Low	10 Å²	10	72.8 Å²	72.8	5%	0.047	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.8	171.7	-160.7	-168.7	122.6	0	0	109.9	S56 W57 N603 S607	S56-E576 CarbonylContact C-O 3.5Å; S56-E576 WeakPolarHBondContact CA-O 3.4Å; S56-E576 WeakPolarHBondContact CB-O 3.37Å; S56-E576 PolarHBondContact OG-O 3.43Å; W57-E576 HydrophobicContact CD2-CB 3.99Å; W57-E576 VanDerWaalsContact CE2-OE2 3.22Å; W57-E576 HydrophobicContact CG-CB 4.16Å; W57-E576 HydrophobicContact CZ2-CB 3.67Å; W57-E576 HydrophobicContact CZ2-CG 4.47Å; W57-E576 WeakPolarHBondContact CZ2-OE2 3.36Å; W57-E576 PolarHBondContact N-O 3Å; W57-E576 PolarHBondContact NE1-OE2 3.21Å; W57-E576 PolarHBondContact O-N 2.47Å; E576-N603 WeakPolarHBondContact OE1-CA 3.45Å; E576-N603 WeakPolarHBondContact OE1-CB 3.3Å; E576-N603 PolarHBondContact OE1-N 3.15Å; E576-S607 WeakPolarHBondContact CG-OG 3.28Å; E576-S607 PolarHBondContact OE1-OG 2.97Å
577	E	63	Low	52.5	Low	86 Å²	86	74.5 Å²	74.5	40%	0.402	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.8	170.8	-172.6	173	171.5	0	0	109.8	K54 R55	K54-E577 HydrophobicContact CB-CG 4.41Å; K54-E577 HydrophobicContact CD-CG 4.39Å; K54-E577 WeakPolarHBondContact CD-OE1 3.48Å; K54-E577 WeakPolarHBondContact CD-OE2 3.41Å; K54-E577 IonicContact NZ-OE1 3.28Å; K54-E577 IonicContact NZ-OE2 3.58Å; K54-E577 PolarHBondContact NZ-OE2 3.35Å; R55-E577 CarbonylContact O-C 3.52Å; R55-E577 VanDerWaalsContact O-CA 3.32Å; R55-E577 WeakPolarHBondContact O-CA 3.49Å
578	Y	60.6	Low	51.3	Low	5 Å²	5	79.5 Å²	79.5	2%	0.02	42%	0.418	C	S	.	.			trans	-113.7	145.5	175.6	72.7	-92.4	0	0	0	111	R55 S56 A519 F520 I580	R55-Y578 VanDerWaalsContact C-CE1 3.45Å; R55-Y578 HydrophobicContact CB-CD1 4.16Å; R55-Y578 HydrophobicContact CB-CD2 4.47Å; R55-Y578 HydrophobicContact CB-CE1 3.73Å; R55-Y578 HydrophobicContact CB-CE2 4.06Å; R55-Y578 HydrophobicContact CB-CG 4.5Å; R55-Y578 HydrophobicContact CG-CE2 4.42Å; R55-Y578 WeakPolarHBondContact O-CD1 3.19Å; R55-Y578 PolarHBondContact O-N 3.46Å; S56-Y578 VanDerWaalsContact N-CE1 3.35Å; A519-Y578 PolarHBondContact O-OH 3.26Å; A519-Y578 VanDerWaalsContact O-OH 3.05Å; F520-Y578 HydrophobicContact CD1-CE2 4.14Å; Y578-I580 HydrophobicContact CD2-CG1 4.16Å; Y578-I580 HydrophobicContact CE2-CD1 4.09Å; Y578-I580 HydrophobicContact CE2-CG1 3.76Å
579	T	52.2	Low	49.9	Very low	62 Å²	62	78.3 Å²	78.3	38%	0.38	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.3	173.9	59.2	0	0	0	0	110.5
580	I	49.8	Very low	48.2	Very low	53 Å²	53	86 Å²	86	27%	0.272	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108.6	168.9	-53.8	-174	0	0	0	106.1	R55 Y578 E582 P598	R55-I580 VanDerWaalsContact NH1-CD1 3.31Å; Y578-I580 HydrophobicContact CD2-CG1 4.16Å; Y578-I580 HydrophobicContact CE2-CD1 4.09Å; Y578-I580 HydrophobicContact CE2-CG1 3.76Å; I580-E582 PolarHBondContact O-N 3.47Å; I580-P598 HydrophobicContact CG2-CB 3.82Å
581	K	46	Very low	46.7	Very low	139 Å²	139	92.5 Å²	92.5	60%	0.604	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.4	167	-73	-174.7	178.6	178.1	0	107.7	A583	K581-A583 PolarHBondContact O-N 2.87Å
582	E	39.2	Very low	45.1	Very low	170 Å²	170	99.6 Å²	99.6	79%	0.794	53%	0.534	S	S	*	.			trans	-67	119.3	166.6	-70.8	-169	176.2	0	0	108.4	I580 G584	I580-E582 PolarHBondContact O-N 3.47Å; E582-G584 PolarHBondContact O-N 3.44Å; E582-G584 VanDerWaalsContact O-N 3.15Å
583	A	32.6	Very low	43.5	Very low	84 Å²	84	105 Å²	105	69%	0.694	57%	0.568	S	S	*	*	S	Bend	trans	-72.6	106.2	178.1	0	0	0	0	0	109.6	K581	K581-A583 PolarHBondContact O-N 2.87Å
584	G	31	Very low	41.7	Very low	75 Å²	75	109.6 Å²	109.6	77%	0.773	59%	0.593	S	S	*	*			trans	98	91.2	159.7	0	0	0	0	0	115.7	E582	E582-G584 PolarHBondContact O-N 3.44Å; E582-G584 VanDerWaalsContact O-N 3.15Å
585	Q	33.3	Very low	40.1	Very low	187 Å²	187	115 Å²	115	87%	0.874	63%	0.625	S	S	*	*			trans	-132.7	74.4	155.8	-148.7	166	10.8	0	0	109.1
586	N	31.1	Very low	38.4	Very low	157 Å²	157	119.8 Å²	119.8	84%	0.84	65%	0.645	S	S	*	*			trans	-82.9	144.3	155.2	-93.5	-12.1	0	0	0	108.1	N588	N586-N588 PolarHBondContact O-N 2.61Å
587	D	30.5	Very low	36.5	Very low	159 Å²	159	125.7 Å²	125.7	85%	0.85	68%	0.677	S	S	*	*	S	Bend	trans	-45.6	101.8	176.5	-64.6	-48.6	0	0	0	113.2
588	N	31	Very low	35.1	Very low	153 Å²	153	125.7 Å²	125.7	82%	0.818	69%	0.685	S	S	*	*			trans	-175.5	134.1	144.8	-100.5	-30.9	0	0	0	111.3	N586 L590	N586-N588 PolarHBondContact O-N 2.61Å; N588-L590 PolarHBondContact O-N 2.82Å
589	P	30.5	Very low	33.8	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	72%	0.718	S	S	*	*			trans	-88.2	103.6	176.8	33.2	-26.3	0	0	0	108.9
590	L	28.2	Very low	33.1	Very low	165 Å²	165	132.3 Å²	132.3	86%	0.864	72%	0.715	S	S	*	*			trans	-162.4	118.5	157	-133.4	79.7	0	0	0	113.1	N588	N588-L590 PolarHBondContact O-N 2.82Å
591	H	30.9	Very low	32.6	Very low	164 Å²	164	131.9 Å²	131.9	76%	0.759	72%	0.715	S	S	*	*			trans	43.1	105.2	152.1	-78.7	-29	0	0	0	121.8
592	D	29.1	Very low	32.4	Very low	151 Å²	151	129.4 Å²	129.4	81%	0.807	70%	0.704	S	S	*	*				45.5	86.6	113.1	-143.9	8.7	0	0	0	116.1
593	T	29.3	Very low	32.6	Very low	125 Å²	125	125 Å²	125	77%	0.767	69%	0.686	S	S	*	*			trans	-159.8	100.4	150	23.5	0	0	0	0	110	V595	T593-V595 PolarHBondContact O-N 2.74Å
594	E	30.5	Very low	32.9	Very low	171 Å²	171	123 Å²	123	80%	0.799	67%	0.67	S	S	*	*			trans	38.5	72.7	140.1	-142.7	175.4	-152.2	0	0	117.8	K596	E594-K596 PolarHBondContact O-N 2.79Å; E594-K596 VanDerWaalsContact O-N 3.12Å
595	V	29.5	Very low	33.3	Very low	123 Å²	123	125.5 Å²	125.5	75%	0.745	66%	0.663	S	S	*	*			trans	-79.2	97.8	173	-177	0	0	0	0	110.2	T593	T593-V595 PolarHBondContact O-N 2.74Å
596	K	31.3	Very low	33.9	Very low	163 Å²	163	119.1 Å²	119.1	71%	0.709	64%	0.635	S	S	*	*			trans	-72	134.4	161.6	-79.7	172.5	176.3	166.6	0	109.5	E594	E594-K596 PolarHBondContact O-N 2.79Å; E594-K596 VanDerWaalsContact O-N 3.12Å
597	N	27.7	Very low	34.5	Very low	134 Å²	134	113.6 Å²	113.6	72%	0.717	61%	0.608	S	S	*	*			trans	87.3	95.1	164.7	-54.1	-16.5	0	0	0	117
598	P	33.8	Very low	35.6	Very low	87 Å²	87	109.2 Å²	109.2	57%	0.565	58%	0.58	S	S	*	*			trans	-71.4	126.4	157.5	28.7	-29	0	0	0	109.6	I580 I600	I580-P598 HydrophobicContact CG2-CB 3.82Å; P598-I600 PolarHBondContact O-N 2.78Å
599	M	31.5	Very low	36.9	Very low	145 Å²	145	108.2 Å²	108.2	71%	0.714	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.4	102.8	171.4	-164.1	174.8	171.9	0	0	107.7	T601	M599-T601 PolarHBondContact O-N 3.31Å
600	I	38.9	Very low	38.3	Very low	60 Å²	60	105.8 Å²	105.8	31%	0.308	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.4	114	173.4	-63	156.6	0	0	0	106.5	F520 P598 F602	F520-I600 HydrophobicContact CD1-CD1 3.45Å; F520-I600 VanDerWaalsContact CD1-CD1 3.45Å; F520-I600 HydrophobicContact CD1-CG1 3.97Å; F520-I600 HydrophobicContact CD1-CG2 4.41Å; F520-I600 HydrophobicContact CD2-CD1 4.21Å; F520-I600 HydrophobicContact CE1-CB 4.49Å; F520-I600 HydrophobicContact CE1-CD1 3.47Å; F520-I600 VanDerWaalsContact CE1-CD1 3.47Å; F520-I600 HydrophobicContact CE1-CG1 4.01Å; F520-I600 HydrophobicContact CE1-CG2 3.73Å; F520-I600 HydrophobicContact CE2-CD1 4.2Å; F520-I600 HydrophobicContact CG-CD1 3.84Å; F520-I600 HydrophobicContact CZ-CD1 3.84Å; F520-I600 HydrophobicContact CZ-CG2 4.43Å; P598-I600 PolarHBondContact O-N 2.78Å; I600-F602 HydrophobicContact CG2-CD1 4.43Å; I600-F602 HydrophobicContact CG2-CD2 4.11Å; I600-F602 HydrophobicContact CG2-CE1 4.05Å; I600-F602 HydrophobicContact CG2-CE2 3.69Å; I600-F602 HydrophobicContact CG2-CG 4.47Å; I600-F602 HydrophobicContact CG2-CZ 3.67Å
601	T	39.3	Very low	39.5	Very low	45 Å²	45	99.1 Å²	99.1	28%	0.276	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	106.2	172.9	-26	0	0	0	0	105.8	M599	M599-T601 PolarHBondContact O-N 3.31Å
602	F	40.8	Very low	41.1	Very low	86 Å²	86	97.5 Å²	97.5	38%	0.377	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-70.5	139.3	163.4	-59.8	-80.8	0	0	0	106.9	W57 F520 I600	W57-F602 AromaticContact CD1-CD1 3.72Å; W57-F602 AromaticContact CD1-CE1 3.95Å; W57-F602 AromaticContact NE1-CD1 3.99Å; F520-F602 HydrophobicContact CE1-CE1 4.42Å; F520-F602 HydrophobicContact CE1-CZ 4.25Å; F520-F602 HydrophobicContact CZ-CE1 4.29Å; F520-F602 AromaticContact CZ-CZ 3.9Å; F520-F602 HydrophobicContact CZ-CZ 3.9Å; I600-F602 HydrophobicContact CG2-CD1 4.43Å; I600-F602 HydrophobicContact CG2-CD2 4.11Å; I600-F602 HydrophobicContact CG2-CE1 4.05Å; I600-F602 HydrophobicContact CG2-CE2 3.69Å; I600-F602 HydrophobicContact CG2-CG 4.47Å; I600-F602 HydrophobicContact CG2-CZ 3.67Å
603	N	43.2	Very low	42.5	Very low	77 Å²	77	94.4 Å²	94.4	41%	0.412	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-68.3	162.6	168.1	-67	-26.8	0	0	0	107.2	E576 S607	E576-N603 WeakPolarHBondContact OE1-CA 3.45Å; E576-N603 WeakPolarHBondContact OE1-CB 3.3Å; E576-N603 PolarHBondContact OE1-N 3.15Å; N603-S607 VanDerWaalsContact CB-OG 3.27Å; N603-S607 WeakPolarHBondContact CB-OG 3.33Å
604	A	38.6	Very low	44	Very low	44 Å²	44	92.4 Å²	92.4	36%	0.364	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-53.5	158.5	-171.8	0	0	0	0	0	112.8	K235 D606 S607	K235-A604 HydrophobicContact CD-CB 3.74Å; A604-D606 PolarHBondContact O-N 3.34Å; A604-S607 PolarHBondContact O-N 3.44Å; A604-S607 VanDerWaalsContact O-N 3.15Å; A604-S607 PolarHBondContact O-OG 3.48Å
605	M	40.3	Very low	45.5	Very low	127 Å²	127	86.8 Å²	86.8	63%	0.626	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.4	-5.8	-170.1	-95.6	168.5	166.7	0	0	118.5	V83 Y608	V83-M605 HydrophobicContact CB-CE 4.44Å; V83-M605 HydrophobicContact CG1-CE 4.36Å; V83-M605 HydrophobicContact CG2-CE 4.35Å; M605-Y608 WeakPolarHBondContact O-CE1 3.28Å
606	D	45.3	Very low	47.3	Very low	52 Å²	52	82.7 Å²	82.7	28%	0.278	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	6.5	-161.2	-65.7	-26	0	0	0	113.8	L233 K235 A604 Y608	L233-D606 WeakPolarHBondContact O-CB 3.4Å; L233-D606 VanDerWaalsContact O-OD1 3.04Å; K235-D606 WeakPolarHBondContact CA-OD2 3.28Å; K235-D606 HydrophobicContact CB-CB 4.16Å; K235-D606 WeakPolarHBondContact CB-OD2 3.46Å; K235-D606 PolarHBondContact N-OD2 3.18Å; A604-D606 PolarHBondContact O-N 3.34Å; D606-Y608 VanDerWaalsContact C-N 3.32Å; D606-Y608 PolarHBondContact O-N 2.89Å
607	S	45	Very low	48.7	Very low	41 Å²	41	77 Å²	77	29%	0.287	40%	0.404	S	S	.	.			trans	-89.8	7.4	-177.9	63.7	0	0	0	0	114.6	E576 N603 A604	E576-S607 WeakPolarHBondContact CG-OG 3.28Å; E576-S607 PolarHBondContact OE1-OG 2.97Å; N603-S607 VanDerWaalsContact CB-OG 3.27Å; N603-S607 WeakPolarHBondContact CB-OG 3.33Å; A604-S607 PolarHBondContact O-N 3.44Å; A604-S607 VanDerWaalsContact O-N 3.15Å; A604-S607 PolarHBondContact O-OG 3.48Å
608	Y	52	Low	50.3	Low	67 Å²	67	73.5 Å²	73.5	26%	0.263	38%	0.383	S	S	.	.			trans	-87.1	133.1	-177.1	68.9	-88.2	0	0	0	111.3	W57 A574 K575 M605 D606	W57-Y608 HydrophobicContact CH2-CD1 4.17Å; W57-Y608 HydrophobicContact CH2-CD2 4.16Å; W57-Y608 AromaticContact CH2-CG 3.65Å; W57-Y608 HydrophobicContact CH2-CG 3.65Å; W57-Y608 HydrophobicContact CZ2-CD1 4.26Å; W57-Y608 AromaticContact CZ2-CG 3.96Å; W57-Y608 HydrophobicContact CZ2-CG 3.96Å; A574-Y608 HydrophobicContact CB-CD2 3.54Å; A574-Y608 HydrophobicContact CB-CE2 3.97Å; A574-Y608 HydrophobicContact CB-CG 4.46Å; K575-Y608 CarbonylContact O-C 3.46Å; K575-Y608 WeakPolarHBondContact O-CA 3.44Å; K575-Y608 WeakPolarHBondContact O-CB 3.12Å; M605-Y608 WeakPolarHBondContact O-CE1 3.28Å; D606-Y608 VanDerWaalsContact C-N 3.32Å; D606-Y608 PolarHBondContact O-N 2.89Å
609	K	58.7	Low	51.3	Low	132 Å²	132	75.9 Å²	75.9	57%	0.574	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.6	168.8	-55.9	-165.4	177.5	-155.1	0	107.8	W573 A574 K575	W573-K609 HydrophobicContact CH2-CB 3.99Å; W573-K609 HydrophobicContact CZ3-CB 3.91Å; W573-K609 WeakPolarHBondContact CZ3-O 3.33Å; A574-K609 CarbonylContact C-O 3.36Å; A574-K609 VanDerWaalsContact CA-O 3.26Å; A574-K609 WeakPolarHBondContact CA-O 3.48Å; K575-K609 HydrophobicContact CG-CB 4.18Å; K575-K609 PolarHBondContact N-O 2.91Å; K575-K609 PolarHBondContact O-N 2.87Å
610	S	61.1	Low	51.9	Low	62 Å²	62	79.9 Å²	79.9	43%	0.434	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	169	171.2	68.7	0	0	0	0	111.5	W573	W573-S610 CarbonylContact O-C 3.6Å; W573-S610 WeakPolarHBondContact O-CA 3.32Å; W573-S610 WeakPolarHBondContact O-CB 3.17Å
611	G	52.8	Low	52	Low	26 Å²	26	82.6 Å²	82.6	27%	0.268	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	170	172.3	0	0	0	0	0	111.9	W573	W573-G611 PolarHBondContact N-O 2.8Å; W573-G611 PolarHBondContact NE1-O 2.68Å; W573-G611 PolarHBondContact O-N 2.72Å
612	K	63.7	Low	51.9	Low	130 Å²	130	83.9 Å²	83.9	57%	0.565	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.1	169.4	66.3	-176.9	179.8	-176.6	0	109.6	T570 L571 L572	T570-K612 HydrophobicContact CG2-CB 4.25Å; L571-K612 CarbonylContact O-C 3.52Å; L571-K612 VanDerWaalsContact O-CA 3.27Å; L571-K612 WeakPolarHBondContact O-CA 3.46Å; L572-K612 HydrophobicContact CD2-CB 4.04Å
613	F	58.8	Low	51.7	Low	86 Å²	86	85 Å²	85	38%	0.377	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.5	163.2	70.4	-97.9	0	0	0	110.5	L571 W573 I615	L571-F613 HydrophobicContact CB-CD1 4.27Å; L571-F613 HydrophobicContact CB-CD2 4.28Å; L571-F613 HydrophobicContact CB-CE1 4.02Å; L571-F613 HydrophobicContact CB-CE2 3.98Å; L571-F613 HydrophobicContact CB-CG 4.42Å; L571-F613 HydrophobicContact CB-CZ 3.86Å; L571-F613 HydrophobicContact CD1-CE1 4.16Å; L571-F613 HydrophobicContact CD1-CE2 4.19Å; L571-F613 HydrophobicContact CD1-CZ 3.6Å; L571-F613 HydrophobicContact CD2-CD1 4.07Å; L571-F613 HydrophobicContact CD2-CE1 3.39Å; L571-F613 HydrophobicContact CD2-CZ 3.76Å; L571-F613 HydrophobicContact CG-CE1 4.03Å; L571-F613 HydrophobicContact CG-CE2 4.49Å; L571-F613 HydrophobicContact CG-CZ 3.92Å; L571-F613 PolarHBondContact N-O 3.03Å; L571-F613 PolarHBondContact O-N 2.63Å; W573-F613 AromaticContact CD1-CD1 3.93Å; F613-I615 HydrophobicContact CD2-CB 3.88Å; F613-I615 HydrophobicContact CD2-CG2 4.22Å; F613-I615 HydrophobicContact CE2-CB 3.62Å; F613-I615 HydrophobicContact CE2-CD1 3.91Å; F613-I615 HydrophobicContact CE2-CG1 4.32Å; F613-I615 HydrophobicContact CE2-CG2 3.76Å
614	L	60.7	Low	51.4	Low	82 Å²	82	90.4 Å²	90.4	43%	0.429	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.4	179.1	-164.7	66.6	0	0	0	108.3	R568 T570	R568-L614 HydrophobicContact CB-CD1 3.84Å; R568-L614 HydrophobicContact CB-CD2 4.32Å; R568-L614 HydrophobicContact CB-CG 3.9Å; R568-L614 VanDerWaalsContact CZ-CD2 3.41Å; R568-L614 VanDerWaalsContact NE-CD2 3.29Å; T570-L614 WeakPolarHBondContact OG1-CD1 3.14Å
615	I	62.7	Low	51.3	Low	54 Å²	54	97.6 Å²	97.6	28%	0.277	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.6	179.4	-173.3	164.1	0	0	0	110.6	T569 L571 F613 F617	T569-I615 PolarHBondContact N-O 3.37Å; T569-I615 PolarHBondContact O-N 3.19Å; L571-I615 HydrophobicContact CB-CG2 4.27Å; F613-I615 HydrophobicContact CD2-CB 3.88Å; F613-I615 HydrophobicContact CD2-CG2 4.22Å; F613-I615 HydrophobicContact CE2-CB 3.62Å; F613-I615 HydrophobicContact CE2-CD1 3.91Å; F613-I615 HydrophobicContact CE2-CG1 4.32Å; F613-I615 HydrophobicContact CE2-CG2 3.76Å; I615-F617 HydrophobicContact CD1-CD1 4.2Å; I615-F617 HydrophobicContact CD1-CE1 4.06Å; I615-F617 HydrophobicContact CG1-CD1 4.43Å; I615-F617 HydrophobicContact CG1-CE1 4.49Å; I615-F617 HydrophobicContact CG2-CD1 4.48Å; I615-F617 HydrophobicContact CG2-CD2 4.31Å; I615-F617 HydrophobicContact CG2-CE1 3.98Å; I615-F617 HydrophobicContact CG2-CE2 3.8Å; I615-F617 HydrophobicContact CG2-CZ 3.62Å
616	N	67.6	Low	51.4	Low	37 Å²	37	92.8 Å²	92.8	20%	0.198	45%	0.453	C	S	.	.			trans	-98	102.8	165	-179.7	-11.3	0	0	0	108	F618 E619	N616-F618 PolarHBondContact O-N 3.48Å; N616-F618 PolarHBondContact OD1-N 2.84Å; N616-E619 HydrophobicContact CB-CB 3.64Å; N616-E619 WeakPolarHBondContact O-CB 3.49Å; N616-E619 PolarHBondContact O-N 2.9Å; N616-E619 VanDerWaalsContact O-N 3.07Å; N616-E619 PolarHBondContact OD1-N 3.26Å
617	F	61.2	Low	51.9	Low	42 Å²	42	94.8 Å²	94.8	18%	0.184	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.7	-179.2	-69.8	-69.8	0	0	0	113.8	L46 L48 L563 T569 L571 I615	L46-F617 HydrophobicContact CD1-CB 4.48Å; L46-F617 HydrophobicContact CD1-CD1 4.04Å; L46-F617 HydrophobicContact CD1-CG 4.42Å; L46-F617 HydrophobicContact CD2-CD1 3.96Å; L46-F617 HydrophobicContact CD2-CD2 4.39Å; L46-F617 HydrophobicContact CD2-CE1 4.02Å; L46-F617 HydrophobicContact CD2-CE2 4.42Å; L46-F617 HydrophobicContact CD2-CG 4.15Å; L46-F617 HydrophobicContact CD2-CZ 4.24Å; L48-F617 HydrophobicContact CD2-CE1 3.97Å; L48-F617 HydrophobicContact CD2-CZ 4.47Å; L563-F617 HydrophobicContact CD2-CD2 3.57Å; L563-F617 HydrophobicContact CD2-CE2 3.55Å; T569-F617 HydrophobicContact CG2-CD2 4.44Å; T569-F617 HydrophobicContact CG2-CE2 3.74Å; L571-F617 HydrophobicContact CD1-CZ 4.24Å; I615-F617 HydrophobicContact CD1-CD1 4.2Å; I615-F617 HydrophobicContact CD1-CE1 4.06Å; I615-F617 HydrophobicContact CG1-CD1 4.43Å; I615-F617 HydrophobicContact CG1-CE1 4.49Å; I615-F617 HydrophobicContact CG2-CD1 4.48Å; I615-F617 HydrophobicContact CG2-CD2 4.31Å; I615-F617 HydrophobicContact CG2-CE1 3.98Å; I615-F617 HydrophobicContact CG2-CE2 3.8Å; I615-F617 HydrophobicContact CG2-CZ 3.62Å
618	F	60.9	Low	52.7	Low	62 Å²	62	92.9 Å²	92.9	27%	0.272	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	0.3	-177	-52.3	-81.8	0	0	0	112.2	L556 L564 P565 N616 R620	L556-F618 HydrophobicContact CD1-CE1 4.46Å; L556-F618 HydrophobicContact CD2-CE1 4.41Å; L556-F618 HydrophobicContact CD2-CZ 3.79Å; L564-F618 WeakPolarHBondContact O-CE2 3.48Å; P565-F618 HydrophobicContact CB-CD1 4.3Å; P565-F618 HydrophobicContact CB-CE1 4.17Å; P565-F618 HydrophobicContact CB-CE2 4.39Å; P565-F618 HydrophobicContact CB-CG 4.45Å; P565-F618 HydrophobicContact CB-CZ 4.2Å; N616-F618 PolarHBondContact O-N 3.48Å; N616-F618 PolarHBondContact OD1-N 2.84Å; F618-R620 PolarHBondContact O-N 3.24Å
619	E	54.6	Low	53.9	Low	137 Å²	137	91 Å²	91	64%	0.64	45%	0.45	S	S	*	.			trans	-63.2	105.8	167.7	-175.6	165.9	-156	0	0	107.1	N616 N621	N616-E619 HydrophobicContact CB-CB 3.64Å; N616-E619 WeakPolarHBondContact O-CB 3.49Å; N616-E619 PolarHBondContact O-N 2.9Å; N616-E619 VanDerWaalsContact O-N 3.07Å; N616-E619 PolarHBondContact OD1-N 3.26Å; E619-N621 PolarHBondContact O-N 3.11Å
620	R	44.4	Very low	55.1	Low	229 Å²	229	87.6 Å²	87.6	86%	0.864	44%	0.443	S	S	*	.			trans	-60.5	111.5	172.7	-71.6	-178.1	-174	169.8	4	106.1	F618 P622	F618-R620 PolarHBondContact O-N 3.24Å; R620-P622 WeakPolarHBondContact O-CD 3.26Å
621	N	41.1	Very low	56.2	Low	117 Å²	117	85.5 Å²	85.5	63%	0.626	43%	0.431	S	S	*	.			trans	-44.8	110.3	164.1	-173.5	5.1	0	0	0	107.1	E619 D623	E619-N621 PolarHBondContact O-N 3.11Å; N621-D623 PolarHBondContact O-N 2.78Å
622	P	37.3	Very low	58	Low	72 Å²	72	87.7 Å²	87.7	47%	0.468	45%	0.447	S	S	.	.	S	Bend	trans	-69.4	94.6	168.1	28.1	-24.4	0	0	0	104.5	R620	R620-P622 WeakPolarHBondContact O-CD 3.26Å
623	D	36.8	Very low	59.4	Low	108 Å²	108	82.9 Å²	82.9	58%	0.578	43%	0.426	S	S	*	.			trans	81.9	87.8	158.1	-45.1	-38.3	0	0	0	115.6	N621 E625 S626	N621-D623 PolarHBondContact O-N 2.78Å; D623-E625 PolarHBondContact O-N 2.88Å; D623-S626 PolarHBondContact O-N 2.79Å; D623-S626 VanDerWaalsContact O-N 3.1Å
624	K	34.9	Very low	60.9	Low	191 Å²	191	82.5 Å²	82.5	83%	0.83	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn		-38.4	114.3	129.2	-80.5	178.9	176	174.6	0	107
625	E	37	Very low	62.3	Low	195 Å²	195	81 Å²	81	91%	0.911	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	12.9	-179.6	-55.8	-176.6	152.5	0	0	118.6	D623 T627	D623-E625 PolarHBondContact O-N 2.88Å; E625-T627 PolarHBondContact O-N 2.89Å
626	S	43.5	Very low	63.6	Low	27 Å²	27	81.7 Å²	81.7	19%	0.189	42%	0.422	C	S	.	.			trans	-89.4	107	168.4	-174.8	0	0	0	0	113.4	D623 A628 C789	D623-S626 PolarHBondContact O-N 2.79Å; D623-S626 VanDerWaalsContact O-N 3.1Å; S626-A628 PolarHBondContact O-N 2.87Å; S626-C789 VanDerWaalsContact CB-O 3.29Å; S626-C789 WeakPolarHBondContact CB-O 3.29Å; S626-C789 PolarHBondContact OG-O 3.05Å
627	T	55.9	Low	64.2	Low	94 Å²	94	85.2 Å²	85.2	58%	0.577	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	10.9	175.7	52.7	0	0	0	0	114.6	E625 S630	E625-T627 PolarHBondContact O-N 2.89Å; T627-S630 CarbonylContact C-O 3.53Å
628	A	61.7	Low	65.1	Low	0 Å²	0	90.7 Å²	90.7	0%	0	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-44.6	-170.4	0	0	0	0	0	114.1	S626 S630 W650 L786 R790 T791	S626-A628 PolarHBondContact O-N 2.87Å; A628-S630 PolarHBondContact O-N 2.72Å; A628-W650 PolarHBondContact O-NE1 2.87Å; A628-W650 VanDerWaalsContact O-NE1 3.13Å; A628-L786 WeakPolarHBondContact O-CD2 2.99Å; A628-R790 VanDerWaalsContact CB-O 3.26Å; A628-R790 WeakPolarHBondContact CB-O 3.19Å; A628-T791 HydrophobicContact CB-CG2 3.76Å
629	C	76.5	Confident	66.3	Low	29 Å²	29	88.4 Å²	88.4	20%	0.196	46%	0.46	C	S	.	.	S	Bend	trans	-62.3	-29.2	177.6	-46.2	0	0	0	0	111.8	R652 C789	C629-R652 PolarHBondContact O-N 2.73Å; C629-C789 HydrophobicContact CB-CB 4.23Å; C629-C789 WeakPolarHBondContact CB-SG 2.99Å; C629-C789 VanDerWaalsContact SG-CA 3.53Å; C629-C789 WeakPolarHBondContact SG-CB 3.21Å; C629-C789 CovalentContact SG-SG 2.01Å; C629-C789 PolarHBondContact SG-SG 3.26Å
630	S	83.1	Confident	67.3	Low	60 Å²	60	87.8 Å²	87.8	42%	0.42	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.6	173	70	0	0	0	0	107.4	T627 A628 W650 N651	T627-S630 CarbonylContact C-O 3.53Å; A628-S630 PolarHBondContact O-N 2.72Å; S630-W650 VanDerWaalsContact CA-O 3.27Å; S630-W650 WeakPolarHBondContact CA-O 3.48Å; S630-N651 VanDerWaalsContact CB-OD1 3.28Å; S630-N651 WeakPolarHBondContact CB-OD1 3.4Å
631	G	86	Confident	68.2	Low	18 Å²	18	85 Å²	85	19%	0.186	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	167.9	-179.5	0	0	0	0	0	111.5	S649 W650	G631-S649 CarbonylContact O-C 3.57Å; G631-S649 WeakPolarHBondContact O-CA 3.42Å; G631-S649 WeakPolarHBondContact O-CB 3.06Å; G631-W650 VanDerWaalsContact CA-CE2 3.43Å; G631-W650 VanDerWaalsContact CA-CZ2 3.48Å; G631-W650 PolarHBondContact N-O 3.19Å; G631-W650 VanDerWaalsContact N-O 3.1Å; G631-W650 PolarHBondContact O-N 3.3Å
632	A	90.4	Very high	69.4	Low	72 Å²	72	86.4 Å²	86.4	60%	0.595	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.2	145.3	178.1	0	0	0	0	0	110.8	A648	A632-A648 CarbonylContact C-O 3.59Å; A632-A648 VanDerWaalsContact CA-O 3.25Å; A632-A648 WeakPolarHBondContact CA-O 3.42Å
633	F	91.5	Very high	71.4	Confident	28 Å²	28	88.8 Å²	88.8	12%	0.123	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.6	171.7	176.5	-95.9	0	0	0	108.7	F635 Y646 S647 A648 W650 Y757 I759 M778	F633-F635 HydrophobicContact CE1-CB 3.97Å; F633-F635 HydrophobicContact CZ-CB 4.24Å; F633-Y646 AromaticContact CD1-CD1 3.91Å; F633-Y646 HydrophobicContact CD1-CD1 3.91Å; F633-Y646 AromaticContact CD1-CE1 3.95Å; F633-Y646 HydrophobicContact CD1-CE1 3.95Å; F633-Y646 AromaticContact CE1-CD1 3.94Å; F633-Y646 HydrophobicContact CE1-CD1 3.94Å; F633-Y646 HydrophobicContact CE1-CE1 4.24Å; F633-S647 CarbonylContact O-C 3.52Å; F633-S647 VanDerWaalsContact O-CA 3.29Å; F633-S647 WeakPolarHBondContact O-CA 3.38Å; F633-A648 PolarHBondContact N-O 2.88Å; F633-A648 PolarHBondContact O-N 2.93Å; F633-W650 HydrophobicContact CB-CZ3 4.49Å; F633-Y757 HydrophobicContact CB-CD1 4.1Å; F633-Y757 HydrophobicContact CB-CD2 4.36Å; F633-Y757 HydrophobicContact CB-CE1 3.63Å; F633-Y757 HydrophobicContact CB-CE2 3.93Å; F633-Y757 HydrophobicContact CB-CG 4.44Å; F633-Y757 AromaticContact CD1-CD1 3.69Å; F633-Y757 HydrophobicContact CD1-CD1 3.69Å; F633-Y757 AromaticContact CD1-CD2 3.68Å; F633-Y757 HydrophobicContact CD1-CD2 3.68Å; F633-Y757 HydrophobicContact CD1-CE1 4.11Å; F633-Y757 HydrophobicContact CD1-CE2 4.12Å; F633-Y757 AromaticContact CD1-CG 3.45Å; F633-Y757 HydrophobicContact CD1-CG 3.45Å; F633-Y757 VanDerWaalsContact CD1-CG 3.45Å; F633-Y757 AromaticContact CD2-CD2 3.67Å; F633-Y757 HydrophobicContact CD2-CD2 3.67Å; F633-Y757 AromaticContact CD2-CE2 3.54Å; F633-Y757 HydrophobicContact CD2-CE2 3.54Å; F633-Y757 HydrophobicContact CD2-CG 4.3Å; F633-Y757 HydrophobicContact CE1-CD1 4.33Å; F633-Y757 AromaticContact CE1-CD2 3.79Å; F633-Y757 HydrophobicContact CE1-CD2 3.79Å; F633-Y757 AromaticContact CE1-CG 3.65Å; F633-Y757 HydrophobicContact CE1-CG 3.65Å; F633-Y757 AromaticContact CE2-CD2 3.78Å; F633-Y757 HydrophobicContact CE2-CD2 3.78Å; F633-Y757 HydrophobicContact CE2-CE2 4.05Å; F633-Y757 HydrophobicContact CE2-CG 4.47Å; F633-Y757 AromaticContact CG-CD1 3.94Å; F633-Y757 HydrophobicContact CG-CD1 3.94Å; F633-Y757 AromaticContact CG-CD2 3.61Å; F633-Y757 HydrophobicContact CG-CD2 3.61Å; F633-Y757 AromaticContact CG-CE1 3.89Å; F633-Y757 HydrophobicContact CG-CE1 3.89Å; F633-Y757 AromaticContact CG-CE2 3.57Å; F633-Y757 HydrophobicContact CG-CE2 3.57Å; F633-Y757 AromaticContact CG-CG 3.8Å; F633-Y757 HydrophobicContact CG-CG 3.8Å; F633-Y757 AromaticContact CG-CZ 3.71Å; F633-Y757 AromaticContact CZ-CD2 3.84Å; F633-Y757 HydrophobicContact CZ-CD2 3.84Å; F633-Y757 HydrophobicContact CZ-CG 4.16Å; F633-I759 HydrophobicContact CE1-CG2 3.72Å; F633-I759 HydrophobicContact CZ-CG2 4.05Å; F633-M778 HydrophobicContact CE2-CE 4.27Å; F633-M778 HydrophobicContact CZ-CB 4.12Å; F633-M778 HydrophobicContact CZ-CE 4.19Å; F633-M778 HydrophobicContact CZ-SD 3.89Å
634	K	91.4	Very high	73.7	Confident	79 Å²	79	83.8 Å²	83.8	34%	0.343	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.3	179	-72	-177.5	179.3	-178.3	0	109.3	P636 E637	K634-P636 CarbonylContact O-C 3.56Å; K634-E637 WeakPolarHBondContact O-CA 3.13Å; K634-E637 PolarHBondContact O-N 3.21Å
635	F	89.5	Confident	76.4	Confident	50 Å²	50	78 Å²	78	22%	0.219	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.2	174.1	-173.8	-96.7	0	0	0	110.5	F633 Q645 Y646 I759 M778	F633-F635 HydrophobicContact CE1-CB 3.97Å; F633-F635 HydrophobicContact CZ-CB 4.24Å; F635-Q645 HydrophobicContact CD1-CB 4.28Å; F635-Q645 WeakPolarHBondContact O-CB 3.46Å; F635-Q645 PolarHBondContact O-N 3.42Å; F635-Y646 PolarHBondContact N-O 2.58Å; F635-Y646 PolarHBondContact O-N 2.72Å; F635-I759 HydrophobicContact CB-CB 4.29Å; F635-I759 HydrophobicContact CB-CG2 3.72Å; F635-I759 HydrophobicContact CD1-CB 3.8Å; F635-I759 HydrophobicContact CD1-CD1 4.14Å; F635-I759 HydrophobicContact CD1-CG2 4.16Å; F635-I759 HydrophobicContact CD2-CB 4.4Å; F635-I759 HydrophobicContact CD2-CD1 3.93Å; F635-I759 HydrophobicContact CD2-CG2 4.12Å; F635-I759 HydrophobicContact CE1-CB 4.24Å; F635-I759 HydrophobicContact CE1-CD1 3.81Å; F635-I759 HydrophobicContact CE2-CD1 3.58Å; F635-I759 HydrophobicContact CG-CB 3.89Å; F635-I759 HydrophobicContact CG-CD1 4.2Å; F635-I759 HydrophobicContact CG-CG2 3.73Å; F635-I759 HydrophobicContact CZ-CD1 3.52Å; F635-M778 HydrophobicContact CD2-SD 3.66Å; F635-M778 HydrophobicContact CE2-SD 3.83Å
636	P	90	Very high	79.1	Confident	68 Å²	68	68.7 Å²	68.7	44%	0.442	38%	0.377	S	S	.	.	S	Bend	cis	-58.9	154.6	-11.9	-22.7	34.5	0	0	0	112.9	K634 N638 C639	K634-P636 CarbonylContact O-C 3.56Å; P636-N638 PolarHBondContact O-N 3.46Å; P636-C639 WeakPolarHBondContact O-CB 3.4Å; P636-C639 PolarHBondContact O-N 3.19Å; P636-C639 VanDerWaalsContact O-N 3.09Å; P636-C639 PolarHBondContact O-SG 2.97Å
637	E	80	Confident	81.4	Confident	112 Å²	112	68.8 Å²	68.8	52%	0.523	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.3	-172.1	-72	-176.5	166	0	0	114.1	K634 K781	K634-E637 WeakPolarHBondContact O-CA 3.13Å; K634-E637 PolarHBondContact O-N 3.21Å; E637-K781 IonicContact OE1-NZ 3.09Å; E637-K781 PolarHBondContact OE1-NZ 2.8Å
638	N	80.4	Confident	83.3	Confident	157 Å²	157	64.4 Å²	64.4	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	23.5	-175.6	-63.5	-37	0	0	0	114.6	P636	P636-N638 PolarHBondContact O-N 3.46Å
639	C	85.6	Confident	84.8	Confident	13 Å²	13	66.8 Å²	66.8	9%	0.088	37%	0.368	C	S	.	.			trans	-79.6	148.2	177.8	62.3	0	0	0	0	113.3	P636 N643 C644	P636-C639 WeakPolarHBondContact O-CB 3.4Å; P636-C639 PolarHBondContact O-N 3.19Å; P636-C639 VanDerWaalsContact O-N 3.09Å; P636-C639 PolarHBondContact O-SG 2.97Å; C639-N643 WeakPolarHBondContact CB-O 3.21Å; C639-C644 HydrophobicContact CB-CB 3.87Å; C639-C644 WeakPolarHBondContact CB-SG 3.29Å; C639-C644 WeakPolarHBondContact SG-CA 3.06Å; C639-C644 WeakPolarHBondContact SG-CB 3.38Å; C639-C644 CovalentContact SG-SG 2.02Å; C639-C644 PolarHBondContact SG-SG 3.05Å
640	N	75.3	Confident	85.6	Confident	124 Å²	124	66.2 Å²	66.2	66%	0.663	36%	0.362	S	S	*	.			trans	-81.9	157.4	168.7	-68.5	-19.5	0	0	0	109.9	D642 N643 C644	N640-D642 PolarHBondContact O-N 2.8Å; N640-N643 CarbonylContact O-C 3.41Å; N640-N643 PolarHBondContact O-N 2.83Å; N640-C644 PolarHBondContact O-N 2.91Å; N640-C644 VanDerWaalsContact O-N 3.15Å; N640-C644 PolarHBondContact O-SG 3.12Å
641	K	63.7	Low	86	Confident	170 Å²	170	66 Å²	66	74%	0.739	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-47.8	-34.8	-177.6	-75.2	-173.6	176.7	-177.7	0	113.1
642	D	67	Low	86	Confident	148 Å²	148	68 Å²	68	79%	0.791	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-86.1	-11.2	-176.5	-45.4	-40.2	0	0	0	114.1	N640	N640-D642 PolarHBondContact O-N 2.8Å
643	N	78.9	Confident	85.5	Confident	122 Å²	122	71 Å²	71	65%	0.652	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-131.4	21.2	-173.9	-166	26.6	0	0	0	113	C639 N640	C639-N643 WeakPolarHBondContact CB-O 3.21Å; N640-N643 CarbonylContact O-C 3.41Å; N640-N643 PolarHBondContact O-N 2.83Å
644	C	86.4	Confident	84.9	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.014	38%	0.376	C	S	.	.			trans	-81.5	132.2	172.1	-70.2	0	0	0	0	109.9	C639 N640 N664	C639-C644 HydrophobicContact CB-CB 3.87Å; C639-C644 WeakPolarHBondContact CB-SG 3.29Å; C639-C644 WeakPolarHBondContact SG-CA 3.06Å; C639-C644 WeakPolarHBondContact SG-CB 3.38Å; C639-C644 CovalentContact SG-SG 2.02Å; C639-C644 PolarHBondContact SG-SG 3.05Å; N640-C644 PolarHBondContact O-N 2.91Å; N640-C644 VanDerWaalsContact O-N 3.15Å; N640-C644 PolarHBondContact O-SG 3.12Å; C644-N664 PolarHBondContact O-ND2 2.96Å; C644-N664 PolarHBondContact O-OD1 2.83Å
645	Q	90.3	Very high	84.5	Confident	69 Å²	69	74.1 Å²	74.1	32%	0.322	39%	0.389	S	S	.	.	S	Bend	trans	-70.6	-39.2	172.1	178.2	177.2	-1.1	0	0	110.4	F635 F663 N664 I759	F635-Q645 HydrophobicContact CD1-CB 4.28Å; F635-Q645 WeakPolarHBondContact O-CB 3.46Å; F635-Q645 PolarHBondContact O-N 3.42Å; Q645-F663 CarbonylContact O-C 3.55Å; Q645-F663 WeakPolarHBondContact O-CA 3.35Å; Q645-F663 WeakPolarHBondContact O-CB 3.36Å; Q645-N664 PolarHBondContact O-N 2.83Å; Q645-I759 PolarHBondContact NE2-O 2.92Å
646	Y	93.4	Very high	84.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.6	174.5	-179.6	-84.7	0	0	0	109.1	F633 F635 A648 L661 A662 F663 S671 A672 Y757 I759	F633-Y646 AromaticContact CD1-CD1 3.91Å; F633-Y646 HydrophobicContact CD1-CD1 3.91Å; F633-Y646 AromaticContact CD1-CE1 3.95Å; F633-Y646 HydrophobicContact CD1-CE1 3.95Å; F633-Y646 AromaticContact CE1-CD1 3.94Å; F633-Y646 HydrophobicContact CE1-CD1 3.94Å; F633-Y646 HydrophobicContact CE1-CE1 4.24Å; F635-Y646 PolarHBondContact N-O 2.58Å; F635-Y646 PolarHBondContact O-N 2.72Å; Y646-A648 HydrophobicContact CE1-CB 3.87Å; Y646-L661 HydrophobicContact CE2-CD2 4.37Å; Y646-L661 WeakPolarHBondContact OH-CD2 3.47Å; Y646-A662 CarbonylContact C-O 3.59Å; Y646-A662 WeakPolarHBondContact CA-O 3.18Å; Y646-F663 HydrophobicContact CD2-CB 3.96Å; Y646-S671 WeakPolarHBondContact CD2-OG 3.42Å; Y646-S671 WeakPolarHBondContact CE2-OG 3.48Å; Y646-A672 PolarHBondContact OH-O 3.16Å; Y646-Y757 AromaticContact CE1-CD1 3.97Å; Y646-Y757 HydrophobicContact CE1-CD1 3.97Å; Y646-Y757 HydrophobicContact CE1-CG 4.28Å; Y646-I759 HydrophobicContact CD1-CG2 4.34Å; Y646-I759 HydrophobicContact CG-CG2 4.49Å
647	S	93.4	Very high	84.4	Confident	29 Å²	29	71.4 Å²	71.4	20%	0.203	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.7	170.6	62.1	0	0	0	0	109.7	F633 L661 A662	F633-S647 CarbonylContact O-C 3.52Å; F633-S647 VanDerWaalsContact O-CA 3.29Å; F633-S647 WeakPolarHBondContact O-CA 3.38Å; S647-L661 CarbonylContact O-C 3.52Å; S647-L661 VanDerWaalsContact O-CA 3.25Å; S647-L661 WeakPolarHBondContact O-CA 2.98Å; S647-A662 PolarHBondContact N-O 3.44Å; S647-A662 PolarHBondContact O-N 3.05Å
648	A	94.1	Very high	84.9	Confident	3 Å²	3	69.6 Å²	69.6	3%	0.025	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.5	173.9	0	0	0	0	0	108.2	A632 F633 Y646 S660 L661 I673 Y757	A632-A648 CarbonylContact C-O 3.59Å; A632-A648 VanDerWaalsContact CA-O 3.25Å; A632-A648 WeakPolarHBondContact CA-O 3.42Å; F633-A648 PolarHBondContact N-O 2.88Å; F633-A648 PolarHBondContact O-N 2.93Å; Y646-A648 HydrophobicContact CE1-CB 3.87Å; A648-S660 CarbonylContact C-O 3.5Å; A648-S660 VanDerWaalsContact CA-O 3.31Å; A648-S660 WeakPolarHBondContact CA-O 3.08Å; A648-L661 HydrophobicContact CB-CD2 3.87Å; A648-L661 HydrophobicContact CB-CG 4.04Å; A648-I673 HydrophobicContact CB-CD1 4.24Å; A648-Y757 HydrophobicContact CB-CD1 4.23Å; A648-Y757 HydrophobicContact CB-CE1 4.2Å
649	S	94	Very high	85.7	Confident	49 Å²	49	62.1 Å²	62.1	34%	0.343	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.6	170.3	56.6	0	0	0	0	109.6	G631 F659 S660	G631-S649 CarbonylContact O-C 3.57Å; G631-S649 WeakPolarHBondContact O-CA 3.42Å; G631-S649 WeakPolarHBondContact O-CB 3.06Å; S649-F659 CarbonylContact O-C 3.58Å; S649-F659 WeakPolarHBondContact O-CA 2.91Å; S649-S660 PolarHBondContact N-O 3.05Å; S649-S660 PolarHBondContact O-N 2.89Å
650	W	94.2	Very high	86.1	Confident	17 Å²	17	63 Å²	63	6%	0.064	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.3	179	57.7	93.5	0	0	0	110.2	A628 S630 G631 F633 V657 E658 F659 F755 Y757 I784	A628-W650 PolarHBondContact O-NE1 2.87Å; A628-W650 VanDerWaalsContact O-NE1 3.13Å; S630-W650 VanDerWaalsContact CA-O 3.27Å; S630-W650 WeakPolarHBondContact CA-O 3.48Å; G631-W650 VanDerWaalsContact CA-CE2 3.43Å; G631-W650 VanDerWaalsContact CA-CZ2 3.48Å; G631-W650 PolarHBondContact N-O 3.19Å; G631-W650 VanDerWaalsContact N-O 3.1Å; G631-W650 PolarHBondContact O-N 3.3Å; F633-W650 HydrophobicContact CB-CZ3 4.49Å; W650-V657 HydrophobicContact CB-CG1 4.14Å; W650-E658 CarbonylContact C-O 3.59Å; W650-E658 WeakPolarHBondContact CA-O 3.07Å; W650-F659 HydrophobicContact CB-CD1 3.71Å; W650-F659 HydrophobicContact CB-CE1 3.76Å; W650-F659 HydrophobicContact CB-CG 4.47Å; W650-F659 HydrophobicContact CG-CE1 4.44Å; W650-F755 HydrophobicContact CD2-CD2 4.33Å; W650-F755 AromaticContact CD2-CE2 3.62Å; W650-F755 HydrophobicContact CD2-CE2 3.62Å; W650-F755 AromaticContact CE2-CE2 3.88Å; W650-F755 HydrophobicContact CE3-CD2 4.05Å; W650-F755 AromaticContact CE3-CE2 3.75Å; W650-F755 HydrophobicContact CE3-CE2 3.75Å; W650-F755 HydrophobicContact CG-CE2 4.05Å; W650-F755 HydrophobicContact CH2-CD2 4.25Å; W650-F755 HydrophobicContact CH2-CE2 4.37Å; W650-F755 HydrophobicContact CZ2-CD2 4.5Å; W650-F755 HydrophobicContact CZ2-CE2 4.24Å; W650-F755 HydrophobicContact CZ3-CD2 4.02Å; W650-F755 HydrophobicContact CZ3-CE2 4.15Å; W650-Y757 WeakPolarHBondContact CH2-OH 3.44Å; W650-Y757 HydrophobicContact CZ3-CE1 4.37Å; W650-I784 HydrophobicContact CH2-CD1 3.8Å; W650-I784 HydrophobicContact CZ2-CD1 3.57Å; W650-I784 HydrophobicContact CZ2-CG1 4.29Å; W650-I784 HydrophobicContact CZ2-CG2 4.41Å
651	N	90.2	Very high	87	Confident	55 Å²	55	57.2 Å²	57.2	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	127.1	172.2	-155.9	14.7	0	0	0	109.9	S630 Y653 E658	S630-N651 VanDerWaalsContact CB-OD1 3.28Å; S630-N651 WeakPolarHBondContact CB-OD1 3.4Å; N651-Y653 HydrophobicContact CB-CE2 3.86Å; N651-Y653 VanDerWaalsContact ND2-CZ 3.25Å; N651-Y653 PolarHBondContact ND2-OH 3.29Å; N651-E658 PolarHBondContact N-O 3.02Å; N651-E658 PolarHBondContact O-N 3.46Å
652	R	87.3	Confident	88.4	Confident	62 Å²	62	49.6 Å²	49.6	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.6	179.1	-178.9	-174.6	166.7	-173.7	2.8	110.5	C629 G654 D656 V657 L738 L786 G787	C629-R652 PolarHBondContact O-N 2.73Å; R652-G654 PolarHBondContact NE-O 3.21Å; R652-G654 PolarHBondContact NH2-O 2.98Å; R652-G654 VanDerWaalsContact NH2-O 3.09Å; R652-D656 CarbonylContact C-O 3.58Å; R652-D656 WeakPolarHBondContact CA-O 3.45Å; R652-V657 HydrophobicContact CB-CG2 4.41Å; R652-V657 HydrophobicContact CG-CG2 4.3Å; R652-L738 VanDerWaalsContact NH2-CD1 3.29Å; R652-L786 VanDerWaalsContact CD-O 3.3Å; R652-L786 WeakPolarHBondContact CD-O 3.32Å; R652-L786 PolarHBondContact NH1-O 2.76Å; R652-G787 PolarHBondContact NH1-O 2.89Å
653	Y	79	Confident	89.7	Confident	135 Å²	135	42.6 Å²	42.6	53%	0.529	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	96.2	173.7	-60	-78.4	0	0	0	109.1	N651 N655 D656 E658	N651-Y653 HydrophobicContact CB-CE2 3.86Å; N651-Y653 VanDerWaalsContact ND2-CZ 3.25Å; N651-Y653 PolarHBondContact ND2-OH 3.29Å; Y653-N655 PolarHBondContact O-N 2.76Å; Y653-N655 VanDerWaalsContact O-N 3.16Å; Y653-D656 CarbonylContact C-O 3.53Å; Y653-D656 PolarHBondContact N-O 3.44Å; Y653-D656 PolarHBondContact O-N 3.25Å; Y653-E658 HydrophobicContact CD2-CB 4.28Å; Y653-E658 HydrophobicContact CE2-CB 4.04Å
654	G	78.9	Confident	90.3	Very high	54 Å²	54	39.3 Å²	39.3	56%	0.557	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	-114.2	-177	0	0	0	0	0	112.1	R652	R652-G654 PolarHBondContact NE-O 3.21Å; R652-G654 PolarHBondContact NH2-O 2.98Å; R652-G654 VanDerWaalsContact NH2-O 3.09Å
655	N	83.1	Confident	90.4	Very high	118 Å²	118	39.4 Å²	39.4	63%	0.631	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.9	175.7	-80.2	-2.4	0	0	0	113.5	Y653 S737 L738	Y653-N655 PolarHBondContact O-N 2.76Å; Y653-N655 VanDerWaalsContact O-N 3.16Å; N655-S737 CarbonylContact O-C 3.36Å; N655-S737 WeakPolarHBondContact O-CA 3.26Å; N655-L738 WeakPolarHBondContact O-CG 3.33Å; N655-L738 PolarHBondContact O-N 2.81Å
656	D	85.2	Confident	90.4	Very high	60 Å²	60	40.2 Å²	40.2	32%	0.321	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	145.8	-176.6	-58.5	-40.8	0	0	0	110.9	R652 Y653 F719 S737	R652-D656 CarbonylContact C-O 3.58Å; R652-D656 WeakPolarHBondContact CA-O 3.45Å; Y653-D656 CarbonylContact C-O 3.53Å; Y653-D656 PolarHBondContact N-O 3.44Å; Y653-D656 PolarHBondContact O-N 3.25Å; D656-F719 HydrophobicContact CB-CZ 4.12Å; D656-S737 WeakPolarHBondContact OD1-CB 3.49Å; D656-S737 PolarHBondContact OD1-OG 3.04Å
657	V	91.2	Very high	90.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.5	178.6	-172.4	0	0	0	0	107.5	W650 R652 F659 S735 R736 L738 L786	W650-V657 HydrophobicContact CB-CG1 4.14Å; R652-V657 HydrophobicContact CB-CG2 4.41Å; R652-V657 HydrophobicContact CG-CG2 4.3Å; V657-F659 HydrophobicContact CB-CD2 4.39Å; V657-F659 HydrophobicContact CB-CE2 3.69Å; V657-F659 HydrophobicContact CB-CZ 4.12Å; V657-F659 HydrophobicContact CG1-CD2 4.08Å; V657-F659 HydrophobicContact CG1-CE1 4.16Å; V657-F659 HydrophobicContact CG1-CE2 3.47Å; V657-F659 VanDerWaalsContact CG1-CE2 3.47Å; V657-F659 HydrophobicContact CG1-CZ 3.52Å; V657-S735 CarbonylContact O-C 3.6Å; V657-S735 VanDerWaalsContact O-CA 3.26Å; V657-S735 WeakPolarHBondContact O-CA 3.46Å; V657-R736 PolarHBondContact N-O 2.93Å; V657-R736 PolarHBondContact O-N 2.76Å; V657-L738 HydrophobicContact CG2-CD2 3.66Å; V657-L738 HydrophobicContact CG2-CG 4.21Å; V657-L786 HydrophobicContact CB-CD1 4.2Å; V657-L786 HydrophobicContact CG1-CD1 3.6Å; V657-L786 HydrophobicContact CG2-CD1 3.64Å
658	E	92.4	Very high	89.9	Confident	74 Å²	74	43.6 Å²	43.6	35%	0.346	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.9	171.5	-174.6	-174.6	67.8	0	0	109.1	W650 N651 Y653 F734	W650-E658 CarbonylContact C-O 3.59Å; W650-E658 WeakPolarHBondContact CA-O 3.07Å; N651-E658 PolarHBondContact N-O 3.02Å; N651-E658 PolarHBondContact O-N 3.46Å; Y653-E658 HydrophobicContact CD2-CB 4.28Å; Y653-E658 HydrophobicContact CE2-CB 4.04Å; E658-F734 CarbonylContact C-O 3.59Å
659	F	96	Very high	89.8	Confident	1 Å²	1	45 Å²	45	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.6	172.5	-65.5	-89.4	0	0	0	109.7	S649 W650 V657 L661 I673 F675 T733 F734 R736 L749 F755 L786	S649-F659 CarbonylContact O-C 3.58Å; S649-F659 WeakPolarHBondContact O-CA 2.91Å; W650-F659 HydrophobicContact CB-CD1 3.71Å; W650-F659 HydrophobicContact CB-CE1 3.76Å; W650-F659 HydrophobicContact CB-CG 4.47Å; W650-F659 HydrophobicContact CG-CE1 4.44Å; V657-F659 HydrophobicContact CB-CD2 4.39Å; V657-F659 HydrophobicContact CB-CE2 3.69Å; V657-F659 HydrophobicContact CB-CZ 4.12Å; V657-F659 HydrophobicContact CG1-CD2 4.08Å; V657-F659 HydrophobicContact CG1-CE1 4.16Å; V657-F659 HydrophobicContact CG1-CE2 3.47Å; V657-F659 VanDerWaalsContact CG1-CE2 3.47Å; V657-F659 HydrophobicContact CG1-CZ 3.52Å; F659-L661 HydrophobicContact CB-CD1 4Å; F659-I673 HydrophobicContact CD1-CD1 4.17Å; F659-I673 HydrophobicContact CE1-CD1 4.41Å; F659-F675 HydrophobicContact CD1-CE1 4.49Å; F659-F675 HydrophobicContact CD1-CZ 4.34Å; F659-F675 AromaticContact CE1-CE1 3.54Å; F659-F675 HydrophobicContact CE1-CE1 3.54Å; F659-F675 AromaticContact CE1-CZ 3.71Å; F659-F675 HydrophobicContact CE1-CZ 3.71Å; F659-F675 HydrophobicContact CE2-CE1 4.38Å; F659-F675 AromaticContact CE2-CZ 3.99Å; F659-F675 HydrophobicContact CE2-CZ 3.99Å; F659-F675 AromaticContact CZ-CE1 3.47Å; F659-F675 HydrophobicContact CZ-CE1 3.47Å; F659-F675 VanDerWaalsContact CZ-CE1 3.47Å; F659-F675 AromaticContact CZ-CZ 3.5Å; F659-F675 HydrophobicContact CZ-CZ 3.5Å; F659-T733 CarbonylContact O-C 3.51Å; F659-T733 WeakPolarHBondContact O-CA 3.47Å; F659-F734 HydrophobicContact CB-CD1 4.28Å; F659-F734 HydrophobicContact CB-CD2 4.19Å; F659-F734 HydrophobicContact CB-CE1 3.89Å; F659-F734 HydrophobicContact CB-CE2 3.76Å; F659-F734 HydrophobicContact CB-CG 4.42Å; F659-F734 HydrophobicContact CB-CZ 3.59Å; F659-F734 HydrophobicContact CD2-CD2 4.09Å; F659-F734 AromaticContact CD2-CE2 3.46Å; F659-F734 HydrophobicContact CD2-CE2 3.46Å; F659-F734 VanDerWaalsContact CD2-CE2 3.46Å; F659-F734 AromaticContact CD2-CZ 3.99Å; F659-F734 HydrophobicContact CD2-CZ 3.99Å; F659-F734 HydrophobicContact CE2-CE2 4.29Å; F659-F734 AromaticContact CG-CE2 3.8Å; F659-F734 HydrophobicContact CG-CE2 3.8Å; F659-F734 AromaticContact CG-CZ 3.85Å; F659-F734 HydrophobicContact CG-CZ 3.85Å; F659-F734 PolarHBondContact N-O 3.02Å; F659-F734 PolarHBondContact O-N 2.97Å; F659-R736 HydrophobicContact CE2-CB 4.31Å; F659-L749 HydrophobicContact CE2-CD1 4.15Å; F659-L749 HydrophobicContact CZ-CD1 3.88Å; F659-F755 AromaticContact CE1-CE2 3.77Å; F659-F755 HydrophobicContact CE1-CE2 3.77Å; F659-F755 HydrophobicContact CE1-CZ 4.02Å; F659-F755 HydrophobicContact CZ-CZ 4.39Å; F659-L786 HydrophobicContact CZ-CD1 4.39Å
660	S	94.6	Very high	89.7	Confident	30 Å²	30	42.7 Å²	42.7	21%	0.21	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.8	173.5	-71.6	0	0	0	0	108.9	A648 S649 V732 T733	A648-S660 CarbonylContact C-O 3.5Å; A648-S660 VanDerWaalsContact CA-O 3.31Å; A648-S660 WeakPolarHBondContact CA-O 3.08Å; S649-S660 PolarHBondContact N-O 3.05Å; S649-S660 PolarHBondContact O-N 2.89Å; S660-V732 CarbonylContact C-O 3.57Å; S660-V732 WeakPolarHBondContact CA-O 2.86Å; S660-T733 WeakPolarHBondContact OG-CG2 3.44Å
661	L	94.3	Very high	89.6	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.7	-178.6	-64.3	101.9	0	0	0	111.1	Y646 S647 A648 F659 I673 M689 K731 V732 F734	Y646-L661 HydrophobicContact CE2-CD2 4.37Å; Y646-L661 WeakPolarHBondContact OH-CD2 3.47Å; S647-L661 CarbonylContact O-C 3.52Å; S647-L661 VanDerWaalsContact O-CA 3.25Å; S647-L661 WeakPolarHBondContact O-CA 2.98Å; A648-L661 HydrophobicContact CB-CD2 3.87Å; A648-L661 HydrophobicContact CB-CG 4.04Å; F659-L661 HydrophobicContact CB-CD1 4Å; L661-I673 HydrophobicContact CD1-CG2 4.12Å; L661-I673 HydrophobicContact CD2-CB 3.58Å; L661-I673 HydrophobicContact CD2-CD1 4.25Å; L661-I673 HydrophobicContact CD2-CG1 4.48Å; L661-I673 HydrophobicContact CD2-CG2 3.63Å; L661-M689 HydrophobicContact CB-CE 3.56Å; L661-M689 HydrophobicContact CB-SD 4.04Å; L661-M689 HydrophobicContact CD1-CE 4Å; L661-M689 HydrophobicContact CD2-CE 3.54Å; L661-M689 HydrophobicContact CG-CE 3.87Å; L661-K731 CarbonylContact O-C 3.51Å; L661-K731 WeakPolarHBondContact O-CA 3.5Å; L661-V732 PolarHBondContact N-O 2.78Å; L661-V732 PolarHBondContact O-N 3.25Å; L661-F734 HydrophobicContact CD1-CD1 4.08Å; L661-F734 HydrophobicContact CD1-CE1 3.35Å; L661-F734 HydrophobicContact CD1-CZ 4.09Å
662	A	93	Very high	89.8	Confident	11 Å²	11	39.4 Å²	39.4	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137	169.3	0	0	0	0	0	110.4	Y646 S647 A730 K731	Y646-A662 CarbonylContact C-O 3.59Å; Y646-A662 WeakPolarHBondContact CA-O 3.18Å; S647-A662 PolarHBondContact N-O 3.44Å; S647-A662 PolarHBondContact O-N 3.05Å; A662-A730 CarbonylContact C-O 3.47Å; A662-A730 WeakPolarHBondContact CA-O 3.06Å; A662-K731 HydrophobicContact CB-CB 4.33Å; A662-K731 HydrophobicContact CB-CG 4.31Å
663	F	93.1	Very high	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	152.4	173	77.3	-79.4	0	0	0	111.5	Q645 Y646 M689 I691 Q729 A730 N761	Q645-F663 CarbonylContact O-C 3.55Å; Q645-F663 WeakPolarHBondContact O-CA 3.35Å; Q645-F663 WeakPolarHBondContact O-CB 3.36Å; Y646-F663 HydrophobicContact CD2-CB 3.96Å; F663-M689 HydrophobicContact CD1-CG 3.9Å; F663-M689 HydrophobicContact CD1-SD 3.45Å; F663-M689 WeakPolarHBondContact CD1-SD 3.22Å; F663-M689 HydrophobicContact CE1-CB 4.18Å; F663-M689 HydrophobicContact CE1-CG 3.4Å; F663-M689 HydrophobicContact CE1-SD 3.55Å; F663-M689 VanDerWaalsContact CE1-SD 3.55Å; F663-M689 HydrophobicContact CZ-CG 4.26Å; F663-I691 HydrophobicContact CE2-CD1 3.82Å; F663-I691 HydrophobicContact CZ-CD1 3.64Å; F663-I691 HydrophobicContact CZ-CG1 3.87Å; F663-Q729 WeakPolarHBondContact O-CA 3.37Å; F663-A730 HydrophobicContact CD1-CB 4.02Å; F663-A730 HydrophobicContact CE1-CB 3.55Å; F663-A730 HydrophobicContact CZ-CB 4Å; F663-A730 PolarHBondContact N-O 2.9Å; F663-A730 PolarHBondContact O-N 2.92Å; F663-N761 WeakPolarHBondContact CD2-OD1 3.38Å
664	N	91.5	Very high	90.8	Very high	54 Å²	54	30.1 Å²	30.1	29%	0.289	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.8	176.1	-64.6	-12.2	0	0	0	109.2	C644 Q645 S728 Q729 N761	C644-N664 PolarHBondContact O-ND2 2.96Å; C644-N664 PolarHBondContact O-OD1 2.83Å; Q645-N664 PolarHBondContact O-N 2.83Å; N664-S728 CarbonylContact C-O 3.47Å; N664-S728 VanDerWaalsContact CA-O 3.26Å; N664-S728 WeakPolarHBondContact CA-O 3.44Å; N664-Q729 PolarHBondContact OD1-NE2 2.78Å; N664-Q729 VanDerWaalsContact OD1-NE2 3.09Å; N664-N761 PolarHBondContact O-ND2 2.99Å
665	G	88.8	Confident	91.6	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	15%	0.153	C	C	.	.			trans	-155	163.9	-179.1	0	0	0	0	0	113.9	E669 Y725 S728 N761	G665-E669 WeakPolarHBondContact CA-OE2 3.19Å; G665-Y725 WeakPolarHBondContact O-CE2 3.07Å; G665-Y725 PolarHBondContact O-OH 2.92Å; G665-S728 PolarHBondContact N-O 2.77Å; G665-S728 CarbonylContact O-C 3.58Å; G665-S728 VanDerWaalsContact O-O 3.1Å; G665-N761 VanDerWaalsContact CA-ND2 3.28Å; G665-N761 WeakPolarHBondContact CA-ND2 3.46Å
666	I	90.8	Very high	92	Very high	85 Å²	85	22 Å²	22	44%	0.436	12%	0.123	S	C	.	.			trans	-104.2	164.1	177.6	57.8	168.2	0	0	0	111.4	T668 E669 Y725	I666-T668 PolarHBondContact O-N 3.12Å; I666-E669 HydrophobicContact CG1-CG 3.72Å; I666-E669 PolarHBondContact N-OE2 3.08Å; I666-E669 VanDerWaalsContact N-OE2 3.11Å; I666-E669 WeakPolarHBondContact O-CB 3.25Å; I666-E669 PolarHBondContact O-N 2.93Å; I666-Y725 WeakPolarHBondContact CA-OH 3.3Å
667	P	89	Confident	92.1	Very high	42 Å²	42	24.9 Å²	24.9	27%	0.273	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139.7	169.2	-26.6	37.4	0	0	0	110.5	I691 L692 Y725	P667-I691 HydrophobicContact CB-CG2 4.47Å; P667-I691 HydrophobicContact CG-CG2 4.47Å; P667-L692 WeakPolarHBondContact CB-O 3.45Å; P667-Y725 WeakPolarHBondContact CD-OH 3.44Å
668	T	87	Confident	91.7	Very high	58 Å²	58	27 Å²	27	36%	0.356	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	9.5	-169.2	74.1	0	0	0	0	116.6	I666 I691 P693 K763 L764	I666-T668 PolarHBondContact O-N 3.12Å; T668-I691 WeakPolarHBondContact CA-O 3.09Å; T668-I691 PolarHBondContact N-O 2.56Å; T668-P693 HydrophobicContact CG2-CB 4.47Å; T668-P693 HydrophobicContact CG2-CG 4.05Å; T668-K763 CarbonylContact O-C 3.37Å; T668-K763 WeakPolarHBondContact O-CA 3.34Å; T668-L764 PolarHBondContact O-N 2.77Å
669	E	91.8	Very high	91.2	Very high	33 Å²	33	24.1 Å²	24.1	15%	0.154	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	155	174.1	-69.7	-175.3	165.3	0	0	113	G665 I666 I691 N761 G762	G665-E669 WeakPolarHBondContact CA-OE2 3.19Å; I666-E669 HydrophobicContact CG1-CG 3.72Å; I666-E669 PolarHBondContact N-OE2 3.08Å; I666-E669 VanDerWaalsContact N-OE2 3.11Å; I666-E669 WeakPolarHBondContact O-CB 3.25Å; I666-E669 PolarHBondContact O-N 2.93Å; E669-I691 PolarHBondContact O-N 2.87Å; E669-N761 HydrophobicContact CB-CB 4.02Å; E669-N761 HydrophobicContact CG-CB 4.32Å; E669-N761 PolarHBondContact OE2-ND2 2.73Å; E669-G762 CarbonylContact C-O 3.54Å; E669-G762 WeakPolarHBondContact CA-O 3.39Å
670	W	91.4	Very high	90.6	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158	179.1	67.7	-91.3	0	0	0	111.9	A672 V688 M689 H758 N761 G762 K763 L764 I770 I771 M772	W670-A672 HydrophobicContact CE3-CB 4.39Å; W670-A672 HydrophobicContact CZ3-CB 3.98Å; W670-V688 HydrophobicContact CB-CG1 4.37Å; W670-V688 HydrophobicContact CD2-CG1 4.27Å; W670-V688 HydrophobicContact CE3-CG1 3.69Å; W670-V688 HydrophobicContact CZ3-CG1 4.46Å; W670-M689 CarbonylContact C-O 3.55Å; W670-M689 WeakPolarHBondContact CA-O 3.38Å; W670-M689 VanDerWaalsContact CB-O 3.3Å; W670-M689 WeakPolarHBondContact CB-O 3.02Å; W670-H758 AromaticContact CH2-CD2 3.72Å; W670-H758 AromaticContact CH2-CE1 3.44Å; W670-H758 VanDerWaalsContact CH2-CE1 3.44Å; W670-H758 WeakPolarHBondContact CH2-CE1 3.26Å; W670-H758 AromaticContact CH2-ND1 3.91Å; W670-H758 AromaticContact CH2-NE2 3.33Å; W670-H758 VanDerWaalsContact CH2-NE2 3.33Å; W670-H758 WeakPolarHBondContact CH2-NE2 3.48Å; W670-H758 AromaticContact CZ2-CE1 3.99Å; W670-H758 AromaticContact CZ3-CD2 4Å; W670-H758 AromaticContact CZ3-CE1 3.91Å; W670-H758 AromaticContact CZ3-CG 3.96Å; W670-H758 AromaticContact CZ3-ND1 3.9Å; W670-N761 CarbonylContact O-C 3.55Å; W670-N761 VanDerWaalsContact O-CA 3.25Å; W670-N761 WeakPolarHBondContact O-CA 3.48Å; W670-G762 VanDerWaalsContact CD1-C 3.42Å; W670-G762 VanDerWaalsContact CD1-O 3.29Å; W670-G762 PolarHBondContact N-O 2.85Å; W670-G762 VanDerWaalsContact NE1-C 3.29Å; W670-G762 PolarHBondContact O-N 3.43Å; W670-K763 PolarHBondContact NE1-O 3.07Å; W670-L764 HydrophobicContact CB-CD2 4.25Å; W670-L764 HydrophobicContact CG-CD2 4.25Å; W670-I770 HydrophobicContact CB-CD1 4.28Å; W670-I770 HydrophobicContact CD2-CD1 3.99Å; W670-I770 HydrophobicContact CD2-CG1 4.32Å; W670-I770 HydrophobicContact CD2-CG2 3.67Å; W670-I770 HydrophobicContact CE3-CD1 4.46Å; W670-I770 HydrophobicContact CE3-CG2 3.93Å; W670-I770 HydrophobicContact CG-CD1 3.85Å; W670-I770 HydrophobicContact CG-CG1 4.24Å; W670-I770 HydrophobicContact CG-CG2 4.45Å; W670-I770 HydrophobicContact CH2-CG2 3.59Å; W670-I770 HydrophobicContact CZ2-CG2 3.29Å; W670-I770 HydrophobicContact CZ3-CG2 3.89Å; W670-I771 WeakPolarHBondContact CZ2-O 3.26Å; W670-M772 HydrophobicContact CH2-CB 4.35Å; W670-M772 HydrophobicContact CH2-CG 3.75Å; W670-M772 HydrophobicContact CZ2-CG 4.48Å; W670-M772 HydrophobicContact CZ3-CG 4.38Å
671	S	93.6	Very high	90.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	177.3	170.8	-174.8	0	0	0	0	109.5	Y646 M689 H758	Y646-S671 WeakPolarHBondContact CD2-OG 3.42Å; Y646-S671 WeakPolarHBondContact CE2-OG 3.48Å; S671-M689 PolarHBondContact N-O 2.85Å; S671-M689 WeakPolarHBondContact O-CG 3.45Å; S671-M689 PolarHBondContact O-N 2.93Å; S671-H758 PolarHBondContact OG-O 3.27Å
672	A	93	Very high	89.5	Confident	3 Å²	3	24.5 Å²	24.5	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	158.2	-174.4	0	0	0	0	0	113.8	Y646 W670 V686 V687 V688 H758	Y646-A672 PolarHBondContact OH-O 3.16Å; W670-A672 HydrophobicContact CE3-CB 4.39Å; W670-A672 HydrophobicContact CZ3-CB 3.98Å; A672-V686 HydrophobicContact CB-CG1 3.71Å; A672-V687 VanDerWaalsContact CA-O 3.27Å; A672-V687 WeakPolarHBondContact CA-O 3.47Å; A672-V687 WeakPolarHBondContact CB-O 3.28Å; A672-V688 HydrophobicContact CB-CB 4.45Å; A672-V688 HydrophobicContact CB-CG2 4Å; A672-H758 HydrophobicContact CB-CB 4.05Å; A672-H758 WeakPolarHBondContact O-CB 3.2Å; A672-H758 PolarHBondContact O-N 2.79Å
673	I	95.3	Very high	88.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138	161.4	-173	167.9	0	0	0	109.2	A648 F659 L661 F675 V686 V687 F734 F755 L756 Y757	A648-I673 HydrophobicContact CB-CD1 4.24Å; F659-I673 HydrophobicContact CD1-CD1 4.17Å; F659-I673 HydrophobicContact CE1-CD1 4.41Å; L661-I673 HydrophobicContact CD1-CG2 4.12Å; L661-I673 HydrophobicContact CD2-CB 3.58Å; L661-I673 HydrophobicContact CD2-CD1 4.25Å; L661-I673 HydrophobicContact CD2-CG1 4.48Å; L661-I673 HydrophobicContact CD2-CG2 3.63Å; I673-F675 HydrophobicContact CD1-CE1 4.46Å; I673-V686 CarbonylContact O-C 3.54Å; I673-V686 WeakPolarHBondContact O-CA 3.41Å; I673-V687 HydrophobicContact CG2-CB 4.14Å; I673-V687 PolarHBondContact N-O 3.41Å; I673-V687 PolarHBondContact O-N 3.48Å; I673-F734 HydrophobicContact CG2-CE1 4.3Å; I673-F734 HydrophobicContact CG2-CZ 3.95Å; I673-F755 HydrophobicContact CD1-CD2 4.17Å; I673-L756 CarbonylContact C-O 3.5Å; I673-L756 VanDerWaalsContact CA-O 3.32Å; I673-L756 WeakPolarHBondContact CA-O 3.32Å; I673-Y757 HydrophobicContact CD1-CD1 4.39Å; I673-Y757 HydrophobicContact CD1-CE1 4.2Å; I673-Y757 HydrophobicContact CG1-CD1 4.45Å
674	G	93.6	Very high	88.6	Confident	2 Å²	2	25.5 Å²	25.5	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.9	176.9	0	0	0	0	0	113.4	D685 F755 L756	G674-D685 CarbonylContact C-O 3.59Å; G674-D685 WeakPolarHBondContact CA-O 3.32Å; G674-F755 CarbonylContact O-C 3.45Å; G674-F755 WeakPolarHBondContact O-CA 3.15Å; G674-L756 PolarHBondContact N-O 2.9Å; G674-L756 PolarHBondContact O-N 2.8Å
675	F	94.7	Very high	88.6	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.1	-178	-48.1	-77.6	0	0	0	108.4	F659 I673 S684 D685 V687 V747 L749 F755	F659-F675 HydrophobicContact CD1-CE1 4.49Å; F659-F675 HydrophobicContact CD1-CZ 4.34Å; F659-F675 AromaticContact CE1-CE1 3.54Å; F659-F675 HydrophobicContact CE1-CE1 3.54Å; F659-F675 AromaticContact CE1-CZ 3.71Å; F659-F675 HydrophobicContact CE1-CZ 3.71Å; F659-F675 HydrophobicContact CE2-CE1 4.38Å; F659-F675 AromaticContact CE2-CZ 3.99Å; F659-F675 HydrophobicContact CE2-CZ 3.99Å; F659-F675 AromaticContact CZ-CE1 3.47Å; F659-F675 HydrophobicContact CZ-CE1 3.47Å; F659-F675 VanDerWaalsContact CZ-CE1 3.47Å; F659-F675 AromaticContact CZ-CZ 3.5Å; F659-F675 HydrophobicContact CZ-CZ 3.5Å; I673-F675 HydrophobicContact CD1-CE1 4.46Å; F675-S684 VanDerWaalsContact O-CA 3.29Å; F675-S684 WeakPolarHBondContact O-CA 3.33Å; F675-S684 VanDerWaalsContact O-CB 3.3Å; F675-S684 WeakPolarHBondContact O-CB 3.37Å; F675-D685 WeakPolarHBondContact CD2-OD1 3.18Å; F675-D685 PolarHBondContact N-O 3.41Å; F675-D685 PolarHBondContact O-N 2.59Å; F675-V687 HydrophobicContact CE2-CG2 4.28Å; F675-V747 HydrophobicContact CB-CB 4.21Å; F675-V747 HydrophobicContact CB-CG1 4.34Å; F675-V747 WeakPolarHBondContact O-CG2 3.5Å; F675-L749 HydrophobicContact CB-CD2 3.88Å; F675-L749 HydrophobicContact CD1-CD2 3.48Å; F675-L749 VanDerWaalsContact CD1-CD2 3.48Å; F675-L749 HydrophobicContact CD2-CD2 4.45Å; F675-L749 HydrophobicContact CE1-CD1 4.37Å; F675-L749 HydrophobicContact CE1-CD2 4.1Å; F675-L749 HydrophobicContact CG-CD2 3.67Å; F675-F755 AromaticContact CD1-CD1 3.89Å; F675-F755 HydrophobicContact CD1-CD1 3.89Å; F675-F755 AromaticContact CD1-CE1 3.78Å; F675-F755 HydrophobicContact CD1-CE1 3.78Å; F675-F755 HydrophobicContact CD1-CG 4.43Å; F675-F755 HydrophobicContact CD1-CZ 4.23Å; F675-F755 HydrophobicContact CE1-CD1 4.32Å; F675-F755 HydrophobicContact CE1-CE1 4.04Å; F675-F755 HydrophobicContact CE1-CE2 4.27Å; F675-F755 HydrophobicContact CE1-CZ 4.01Å
676	S	91.6	Very high	88.7	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	127.6	-171.7	177.8	0	0	0	0	111.7	N678 G679 S680 Y754	S676-N678 VanDerWaalsContact C-N 3.27Å; S676-N678 PolarHBondContact O-N 2.76Å; S676-N678 PolarHBondContact OG-N 3.39Å; S676-N678 PolarHBondContact OG-OD1 3.01Å; S676-G679 WeakPolarHBondContact OG-CA 3.45Å; S676-G679 PolarHBondContact OG-N 3.11Å; S676-S680 VanDerWaalsContact CB-O 3.31Å; S676-S680 WeakPolarHBondContact CB-O 3.35Å; S676-S680 PolarHBondContact OG-N 2.81Å; S676-S680 PolarHBondContact OG-O 2.02Å; S676-Y754 PolarHBondContact N-O 3.41Å; S676-Y754 WeakPolarHBondContact O-CB 3.38Å; S676-Y754 PolarHBondContact O-N 2.93Å
677	K	86.7	Confident	88.8	Confident	121 Å²	121	19 Å²	19	53%	0.526	11%	0.113	S	C	.	.	S	Bend	trans	-65.5	-30.7	176.9	-64.5	-169.4	177.2	-164	0	112.6	V747 D751 V753	K677-V747 HydrophobicContact CG-CG1 3.79Å; K677-D751 WeakPolarHBondContact CE-OD2 3.38Å; K677-D751 IonicContact NZ-OD2 3.71Å; K677-D751 PolarHBondContact NZ-OD2 2.87Å; K677-V753 HydrophobicContact CG-CG1 4.38Å
678	N	82.9	Confident	88.9	Confident	44 Å²	44	17 Å²	17	24%	0.235	10%	0.1	C	C	.	.	S	Bend	trans	-112	-5.5	-176.5	63	11.2	0	0	0	113.5	S676 S680 Y754	S676-N678 VanDerWaalsContact C-N 3.27Å; S676-N678 PolarHBondContact O-N 2.76Å; S676-N678 PolarHBondContact OG-N 3.39Å; S676-N678 PolarHBondContact OG-OD1 3.01Å; N678-S680 PolarHBondContact O-N 3.11Å; N678-S680 WeakPolarHBondContact OD1-CA 3.4Å; N678-S680 WeakPolarHBondContact OD1-CB 3.41Å; N678-S680 PolarHBondContact OD1-N 2.97Å; N678-Y754 VanDerWaalsContact C-CD2 3.47Å
679	G	83.4	Confident	89.1	Confident	15 Å²	15	14.2 Å²	14.2	16%	0.155	8%	0.083	C	C	.	.	S	Bend	trans	77.7	7.8	-177.6	0	0	0	0	0	113.9	S676 Y754	S676-G679 WeakPolarHBondContact OG-CA 3.45Å; S676-G679 PolarHBondContact OG-N 3.11Å; G679-Y754 VanDerWaalsContact CA-CD2 3.43Å
680	S	83.1	Confident	89	Confident	11 Å²	11	12.7 Å²	12.7	8%	0.077	8%	0.076	C	C	.	.			trans	-82	148.3	167.9	-174.8	0	0	0	0	109.9	S676 N678 V682 N910	S676-S680 VanDerWaalsContact CB-O 3.31Å; S676-S680 WeakPolarHBondContact CB-O 3.35Å; S676-S680 PolarHBondContact OG-N 2.81Å; S676-S680 PolarHBondContact OG-O 2.02Å; N678-S680 PolarHBondContact O-N 3.11Å; N678-S680 WeakPolarHBondContact OD1-CA 3.4Å; N678-S680 WeakPolarHBondContact OD1-CB 3.41Å; N678-S680 PolarHBondContact OD1-N 2.97Å; S680-V682 PolarHBondContact O-N 2.99Å; S680-V682 PolarHBondContact OG-N 3.26Å; S680-N910 PolarHBondContact OG-O 3.43Å
681	I	83.2	Confident	89	Confident	9 Å²	9	12.6 Å²	12.6	5%	0.046	8%	0.076	C	C	.	.	S	Bend	trans	-73	-12.2	172.2	-157	174	0	0	0	112	S684 T704 F707 M772 V777 N910	I681-S684 PolarHBondContact O-OG 2.77Å; I681-T704 WeakPolarHBondContact O-CB 3.29Å; I681-T704 PolarHBondContact O-OG1 2.76Å; I681-F707 HydrophobicContact CG2-CD1 3.65Å; I681-F707 HydrophobicContact CG2-CE1 4.09Å; I681-M772 HydrophobicContact CD1-CB 3.59Å; I681-M772 HydrophobicContact CD1-CG 4.38Å; I681-M772 HydrophobicContact CD1-SD 4Å; I681-M772 HydrophobicContact CG1-SD 4.38Å; I681-V777 HydrophobicContact CD1-CG2 3.86Å; I681-N910 HydrophobicContact CG2-CB 4.13Å
682	V	81.6	Confident	88.6	Confident	21 Å²	21	15 Å²	15	13%	0.127	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	138.3	174.4	160.2	0	0	0	0	111.5	S680 T704 N706 F707	S680-V682 PolarHBondContact O-N 2.99Å; S680-V682 PolarHBondContact OG-N 3.26Å; V682-T704 WeakPolarHBondContact CA-O 3.25Å; V682-N706 WeakPolarHBondContact CG2-O 3.2Å; V682-F707 HydrophobicContact CB-CD1 3.99Å; V682-F707 HydrophobicContact CB-CE1 3.17Å; V682-F707 HydrophobicContact CB-CE2 4.03Å; V682-F707 HydrophobicContact CB-CZ 3.21Å; V682-F707 HydrophobicContact CG1-CE1 4.23Å; V682-F707 HydrophobicContact CG1-CE2 4.28Å; V682-F707 HydrophobicContact CG1-CZ 3.76Å; V682-F707 HydrophobicContact CG2-CB 4.4Å; V682-F707 HydrophobicContact CG2-CD1 3.22Å; V682-F707 HydrophobicContact CG2-CD2 3.79Å; V682-F707 HydrophobicContact CG2-CE1 2.94Å; V682-F707 HydrophobicContact CG2-CE2 3.59Å; V682-F707 HydrophobicContact CG2-CG 3.61Å; V682-F707 HydrophobicContact CG2-CZ 3.16Å
683	G	79.5	Confident	88.2	Confident	33 Å²	33	19.5 Å²	19.5	34%	0.34	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	20.2	-165.9	0	0	0	0	0	111.9	T704	G683-T704 PolarHBondContact N-O 2.81Å
684	S	87.6	Confident	87.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.139	C	C	.	.			trans	-94	139.8	173.9	67.3	0	0	0	0	110.2	F675 I681 V686 F703 T704	F675-S684 VanDerWaalsContact O-CA 3.29Å; F675-S684 WeakPolarHBondContact O-CA 3.33Å; F675-S684 VanDerWaalsContact O-CB 3.3Å; F675-S684 WeakPolarHBondContact O-CB 3.37Å; I681-S684 PolarHBondContact O-OG 2.77Å; S684-V686 VanDerWaalsContact OG-CG2 3.23Å; S684-V686 WeakPolarHBondContact OG-CG2 3.45Å; S684-F703 WeakPolarHBondContact O-CD2 3.15Å; S684-T704 WeakPolarHBondContact CA-OG1 3.42Å; S684-T704 PolarHBondContact N-OG1 2.74Å; S684-T704 PolarHBondContact O-N 2.91Å; S684-T704 VanDerWaalsContact O-N 3.08Å; S684-T704 PolarHBondContact O-OG1 3.19Å; S684-T704 PolarHBondContact OG-OG1 3.45Å
685	D	91.4	Very high	87.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.8	164.6	105	61.4	0	0	0	108	G674 F675 R736 N745 V747	G674-D685 CarbonylContact C-O 3.59Å; G674-D685 WeakPolarHBondContact CA-O 3.32Å; F675-D685 WeakPolarHBondContact CD2-OD1 3.18Å; F675-D685 PolarHBondContact N-O 3.41Å; F675-D685 PolarHBondContact O-N 2.59Å; D685-R736 VanDerWaalsContact CG-CZ 3.49Å; D685-R736 IonicContact OD1-CZ 3.49Å; D685-R736 IonicContact OD1-NH1 3.41Å; D685-R736 PolarHBondContact OD1-NH1 2.95Å; D685-R736 VanDerWaalsContact OD1-NH1 3.09Å; D685-R736 IonicContact OD1-NH2 3.8Å; D685-R736 IonicContact OD2-CZ 2.88Å; D685-R736 IonicContact OD2-NH1 2.68Å; D685-R736 PolarHBondContact OD2-NH1 2.85Å; D685-R736 IonicContact OD2-NH2 3.62Å; D685-R736 PolarHBondContact OD2-NH2 2.71Å; D685-N745 WeakPolarHBondContact CB-O 3.44Å; D685-V747 PolarHBondContact OD2-N 2.97Å
686	V	91.3	Very high	86.6	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	117.1	-160.9	-173.5	0	0	0	0	109.9	A672 I673 S684 V688 R702 T704 M772	A672-V686 HydrophobicContact CB-CG1 3.71Å; I673-V686 CarbonylContact O-C 3.54Å; I673-V686 WeakPolarHBondContact O-CA 3.41Å; S684-V686 VanDerWaalsContact OG-CG2 3.23Å; S684-V686 WeakPolarHBondContact OG-CG2 3.45Å; V686-V688 HydrophobicContact CG1-CG2 3.92Å; V686-R702 WeakPolarHBondContact CA-O 3.42Å; V686-R702 PolarHBondContact N-O 3.41Å; V686-R702 WeakPolarHBondContact O-CA 3.41Å; V686-R702 WeakPolarHBondContact O-CB 3.36Å; V686-R702 PolarHBondContact O-N 3.29Å; V686-R702 VanDerWaalsContact O-O 3.12Å; V686-T704 HydrophobicContact CG2-CG2 3.71Å; V686-M772 HydrophobicContact CB-CE 4.13Å; V686-M772 HydrophobicContact CG1-CE 3.59Å; V686-M772 HydrophobicContact CG1-SD 4.3Å; V686-M772 HydrophobicContact CG2-CE 4.49Å
687	V	92.7	Very high	86.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.2	171.7	-175.7	0	0	0	0	109.1	A672 I673 F675 V699 I718 F734	A672-V687 VanDerWaalsContact CA-O 3.27Å; A672-V687 WeakPolarHBondContact CA-O 3.47Å; A672-V687 WeakPolarHBondContact CB-O 3.28Å; I673-V687 HydrophobicContact CG2-CB 4.14Å; I673-V687 PolarHBondContact N-O 3.41Å; I673-V687 PolarHBondContact O-N 3.48Å; F675-V687 HydrophobicContact CE2-CG2 4.28Å; V687-V699 HydrophobicContact CG1-CG1 3.62Å; V687-I718 HydrophobicContact CG1-CD1 4.07Å; V687-I718 HydrophobicContact CG2-CG2 3.86Å; V687-F734 HydrophobicContact CB-CE1 4.07Å; V687-F734 HydrophobicContact CB-CE2 4.38Å; V687-F734 HydrophobicContact CB-CZ 3.74Å; V687-F734 HydrophobicContact CG1-CD1 4.09Å; V687-F734 HydrophobicContact CG1-CE1 3.55Å; V687-F734 HydrophobicContact CG1-CE2 4.26Å; V687-F734 HydrophobicContact CG1-CZ 3.68Å; V687-F734 HydrophobicContact CG2-CE1 4.49Å; V687-F734 HydrophobicContact CG2-CE2 3.92Å; V687-F734 HydrophobicContact CG2-CZ 3.76Å
688	V	90.9	Very high	86.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.1	-176.4	-178.4	0	0	0	0	110.9	W670 A672 V686 V699 T700 R702 I770 M772	W670-V688 HydrophobicContact CB-CG1 4.37Å; W670-V688 HydrophobicContact CD2-CG1 4.27Å; W670-V688 HydrophobicContact CE3-CG1 3.69Å; W670-V688 HydrophobicContact CZ3-CG1 4.46Å; A672-V688 HydrophobicContact CB-CB 4.45Å; A672-V688 HydrophobicContact CB-CG2 4Å; V686-V688 HydrophobicContact CG1-CG2 3.92Å; V688-V699 CarbonylContact O-C 3.5Å; V688-V699 VanDerWaalsContact O-CA 3.31Å; V688-V699 WeakPolarHBondContact O-CA 3.4Å; V688-T700 PolarHBondContact N-O 3.5Å; V688-T700 PolarHBondContact O-N 3.1Å; V688-R702 HydrophobicContact CB-CG 4.43Å; V688-R702 HydrophobicContact CG2-CB 4.35Å; V688-R702 HydrophobicContact CG2-CG 4.01Å; V688-I770 HydrophobicContact CG1-CD1 3.42Å; V688-I770 VanDerWaalsContact CG1-CD1 3.42Å; V688-M772 HydrophobicContact CG2-CE 3.58Å
689	M	91.9	Very high	86.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.3	175.1	52.3	-165.5	78.4	0	0	110.4	L661 F663 W670 S671 E698 V732	L661-M689 HydrophobicContact CB-CE 3.56Å; L661-M689 HydrophobicContact CB-SD 4.04Å; L661-M689 HydrophobicContact CD1-CE 4Å; L661-M689 HydrophobicContact CD2-CE 3.54Å; L661-M689 HydrophobicContact CG-CE 3.87Å; F663-M689 HydrophobicContact CD1-CG 3.9Å; F663-M689 HydrophobicContact CD1-SD 3.45Å; F663-M689 WeakPolarHBondContact CD1-SD 3.22Å; F663-M689 HydrophobicContact CE1-CB 4.18Å; F663-M689 HydrophobicContact CE1-CG 3.4Å; F663-M689 HydrophobicContact CE1-SD 3.55Å; F663-M689 VanDerWaalsContact CE1-SD 3.55Å; F663-M689 HydrophobicContact CZ-CG 4.26Å; W670-M689 CarbonylContact C-O 3.55Å; W670-M689 WeakPolarHBondContact CA-O 3.38Å; W670-M689 VanDerWaalsContact CB-O 3.3Å; W670-M689 WeakPolarHBondContact CB-O 3.02Å; S671-M689 PolarHBondContact N-O 2.85Å; S671-M689 WeakPolarHBondContact O-CG 3.45Å; S671-M689 PolarHBondContact O-N 2.93Å; M689-E698 CarbonylContact C-O 3.48Å; M689-E698 WeakPolarHBondContact CA-O 3.35Å; M689-V732 HydrophobicContact CB-CG2 4.11Å; M689-V732 HydrophobicContact SD-CG2 4.33Å
690	S	90.4	Very high	86.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.1	-174.5	-57.9	0	0	0	0	110.6	V697 E698	S690-V697 CarbonylContact O-C 3.53Å; S690-V697 VanDerWaalsContact O-CA 3.31Å; S690-V697 WeakPolarHBondContact O-CA 3.2Å; S690-E698 PolarHBondContact N-O 3.14Å; S690-E698 PolarHBondContact O-N 3.27Å
691	I	90.3	Very high	87	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	105.9	171.9	-50.5	162.9	0	0	0	106.7	F663 P667 T668 E669 K696 V697 Y725 A730	F663-I691 HydrophobicContact CE2-CD1 3.82Å; F663-I691 HydrophobicContact CZ-CD1 3.64Å; F663-I691 HydrophobicContact CZ-CG1 3.87Å; P667-I691 HydrophobicContact CB-CG2 4.47Å; P667-I691 HydrophobicContact CG-CG2 4.47Å; T668-I691 WeakPolarHBondContact CA-O 3.09Å; T668-I691 PolarHBondContact N-O 2.56Å; E669-I691 PolarHBondContact O-N 2.87Å; I691-K696 CarbonylContact C-O 3.55Å; I691-K696 WeakPolarHBondContact CA-O 3.43Å; I691-V697 HydrophobicContact CG1-CG2 4.4Å; I691-Y725 HydrophobicContact CD1-CD2 4.15Å; I691-Y725 HydrophobicContact CD1-CE2 3.63Å; I691-Y725 HydrophobicContact CG1-CD2 4.4Å; I691-Y725 HydrophobicContact CG1-CE2 4.28Å; I691-Y725 HydrophobicContact CG2-CD1 4.3Å; I691-Y725 HydrophobicContact CG2-CD2 4.32Å; I691-Y725 HydrophobicContact CG2-CE1 4.04Å; I691-Y725 HydrophobicContact CG2-CE2 4.08Å; I691-Y725 HydrophobicContact CG2-CG 4.43Å; I691-A730 HydrophobicContact CD1-CB 4.01Å; I691-A730 HydrophobicContact CG1-CB 4.04Å
692	L	85.9	Confident	87.3	Confident	49 Å²	49	26.5 Å²	26.5	26%	0.257	15%	0.154	S	C	.	.			trans	-69.6	162.8	-179.2	-64.3	-179.3	0	0	0	111.7	P667 D694 S695 K696 E698 L764	P667-L692 WeakPolarHBondContact CB-O 3.45Å; L692-D694 WeakPolarHBondContact CB-OD1 3.27Å; L692-D694 PolarHBondContact O-N 3.42Å; L692-D694 VanDerWaalsContact O-N 3.13Å; L692-S695 WeakPolarHBondContact O-CA 3.24Å; L692-S695 PolarHBondContact O-N 3.08Å; L692-K696 HydrophobicContact CD1-CB 4.44Å; L692-K696 PolarHBondContact N-O 3.12Å; L692-E698 HydrophobicContact CD1-CB 4.24Å; L692-E698 HydrophobicContact CG-CB 4.32Å; L692-L764 HydrophobicContact CD2-CD1 4.17Å
693	P	84.5	Confident	87.4	Confident	98 Å²	98	26.9 Å²	26.9	64%	0.636	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30	178.7	-25	32.1	0	0	0	114.4	T668 S695	T668-P693 HydrophobicContact CG2-CB 4.47Å; T668-P693 HydrophobicContact CG2-CG 4.05Å; P693-S695 PolarHBondContact O-N 3.06Å
694	D	83.9	Confident	87.5	Confident	87 Å²	87	25.4 Å²	25.4	47%	0.465	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	10.8	176.6	71.5	-15	0	0	0	113.4	L692 K696	L692-D694 WeakPolarHBondContact CB-OD1 3.27Å; L692-D694 PolarHBondContact O-N 3.42Å; L692-D694 VanDerWaalsContact O-N 3.13Å; D694-K696 PolarHBondContact O-N 3.4Å; D694-K696 WeakPolarHBondContact OD1-CB 3.34Å; D694-K696 PolarHBondContact OD1-N 3.11Å; D694-K696 WeakPolarHBondContact OD2-CD 3.34Å; D694-K696 WeakPolarHBondContact OD2-CE 3.44Å; D694-K696 IonicContact OD2-NZ 3.57Å; D694-K696 PolarHBondContact OD2-NZ 2.9Å
695	S	83.8	Confident	86.7	Confident	54 Å²	54	28.7 Å²	28.7	38%	0.378	16%	0.161	S	C	.	.	S	Bend	trans	65.8	11.8	-177.6	-53.1	0	0	0	0	115.4	L692 P693	L692-S695 WeakPolarHBondContact O-CA 3.24Å; L692-S695 PolarHBondContact O-N 3.08Å; P693-S695 PolarHBondContact O-N 3.06Å
696	K	82.6	Confident	85.4	Confident	90 Å²	90	31.7 Å²	31.7	39%	0.391	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-74.5	145.8	168	-68.5	-178.2	-170.7	147.1	0	110.6	I691 L692 D694	I691-K696 CarbonylContact C-O 3.55Å; I691-K696 WeakPolarHBondContact CA-O 3.43Å; L692-K696 HydrophobicContact CD1-CB 4.44Å; L692-K696 PolarHBondContact N-O 3.12Å; D694-K696 PolarHBondContact O-N 3.4Å; D694-K696 WeakPolarHBondContact OD1-CB 3.34Å; D694-K696 PolarHBondContact OD1-N 3.11Å; D694-K696 WeakPolarHBondContact OD2-CD 3.34Å; D694-K696 WeakPolarHBondContact OD2-CE 3.44Å; D694-K696 IonicContact OD2-NZ 3.57Å; D694-K696 PolarHBondContact OD2-NZ 2.9Å
697	V	86.1	Confident	83.8	Confident	18 Å²	18	31.7 Å²	31.7	11%	0.109	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.5	174.1	179.6	0	0	0	0	108.5	S690 I691 V699 T723 Y725 A730 V732	S690-V697 CarbonylContact O-C 3.53Å; S690-V697 VanDerWaalsContact O-CA 3.31Å; S690-V697 WeakPolarHBondContact O-CA 3.2Å; I691-V697 HydrophobicContact CG1-CG2 4.4Å; V697-V699 HydrophobicContact CG1-CG2 4.39Å; V697-T723 HydrophobicContact CB-CG2 4.22Å; V697-T723 HydrophobicContact CG1-CG2 4.02Å; V697-Y725 HydrophobicContact CG2-CG 4.33Å; V697-A730 HydrophobicContact CG2-CB 4.09Å; V697-V732 HydrophobicContact CG1-CG2 3.74Å
698	E	85.9	Confident	82.1	Confident	60 Å²	60	38.4 Å²	38.4	28%	0.28	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.5	174.2	-169.8	-173.8	-179.4	0	0	109.2	M689 S690 L692 T700	M689-E698 CarbonylContact C-O 3.48Å; M689-E698 WeakPolarHBondContact CA-O 3.35Å; S690-E698 PolarHBondContact N-O 3.14Å; S690-E698 PolarHBondContact O-N 3.27Å; L692-E698 HydrophobicContact CD1-CB 4.24Å; L692-E698 HydrophobicContact CG-CB 4.32Å; E698-T700 HydrophobicContact CG-CG2 4Å
699	V	87.9	Confident	80.6	Confident	19 Å²	19	41.1 Å²	41.1	12%	0.115	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.3	177.8	-172.7	0	0	0	0	107.3	V687 V688 V697 I718 I721 T723 V732	V687-V699 HydrophobicContact CG1-CG1 3.62Å; V688-V699 CarbonylContact O-C 3.5Å; V688-V699 VanDerWaalsContact O-CA 3.31Å; V688-V699 WeakPolarHBondContact O-CA 3.4Å; V697-V699 HydrophobicContact CG1-CG2 4.39Å; V699-I718 HydrophobicContact CG1-CD1 3.86Å; V699-I721 HydrophobicContact CB-CG2 4.03Å; V699-I721 HydrophobicContact CG2-CG2 3.88Å; V699-T723 HydrophobicContact CG2-CG2 3.62Å; V699-V732 HydrophobicContact CB-CG1 4.48Å; V699-V732 HydrophobicContact CG1-CG1 4.19Å; V699-V732 HydrophobicContact CG2-CB 4.39Å; V699-V732 HydrophobicContact CG2-CG1 3.49Å; V699-V732 VanDerWaalsContact CG2-CG1 3.49Å; V699-V732 HydrophobicContact CG2-CG2 3.95Å
700	T	86.7	Confident	79.3	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.3	-176.3	56.2	0	0	0	0	109.7	V688 E698 R702	V688-T700 PolarHBondContact N-O 3.5Å; V688-T700 PolarHBondContact O-N 3.1Å; E698-T700 HydrophobicContact CG-CG2 4Å; T700-R702 PolarHBondContact OG1-NE 3.15Å; T700-R702 PolarHBondContact OG1-NH2 2.95Å
701	D	89	Confident	78.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131	164.9	-155.5	-7.4	0	0	0	109.7	D713 Q716 N717 I718	D701-D713 HydrophobicContact CB-CB 4.39Å; D701-D713 PolarHBondContact O-N 2.83Å; D701-Q716 PolarHBondContact O-NE2 3.05Å; D701-N717 PolarHBondContact OD2-N 3.22Å; D701-N717 VanDerWaalsContact OD2-N 3.12Å; D701-I718 HydrophobicContact CB-CD1 4.37Å; D701-I718 HydrophobicContact CB-CG1 4.3Å
702	R	88.8	Confident	77.2	Confident	12 Å²	12	47 Å²	47	5%	0.045	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.5	-173.4	-55.8	-159	-175.1	-160.4	-5	110.3	V686 V688 T700 S710 S711 I770	V686-R702 WeakPolarHBondContact CA-O 3.42Å; V686-R702 PolarHBondContact N-O 3.41Å; V686-R702 WeakPolarHBondContact O-CA 3.41Å; V686-R702 WeakPolarHBondContact O-CB 3.36Å; V686-R702 PolarHBondContact O-N 3.29Å; V686-R702 VanDerWaalsContact O-O 3.12Å; V688-R702 HydrophobicContact CB-CG 4.43Å; V688-R702 HydrophobicContact CG2-CB 4.35Å; V688-R702 HydrophobicContact CG2-CG 4.01Å; T700-R702 PolarHBondContact OG1-NE 3.15Å; T700-R702 PolarHBondContact OG1-NH2 2.95Å; R702-S710 VanDerWaalsContact CD-OG 3.28Å; R702-S710 WeakPolarHBondContact CD-OG 3.3Å; R702-S711 CarbonylContact C-O 3.32Å; R702-S711 WeakPolarHBondContact CA-O 2.94Å; R702-S711 WeakPolarHBondContact CB-O 3.37Å; R702-I770 VanDerWaalsContact CZ-CD1 3.49Å; R702-I770 VanDerWaalsContact NH1-CD1 3.31Å
703	F	85.3	Confident	76.6	Confident	30 Å²	30	44.8 Å²	44.8	13%	0.132	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147	172.3	175.8	-107.3	0	0	0	111.2	S684 S710 S711 N745	S684-F703 WeakPolarHBondContact O-CD2 3.15Å; F703-S710 CarbonylContact O-C 3.41Å; F703-S710 VanDerWaalsContact O-CA 3.3Å; F703-S710 WeakPolarHBondContact O-CA 3.36Å; F703-S711 PolarHBondContact N-O 2.97Å; F703-S711 PolarHBondContact O-N 3.39Å; F703-S711 PolarHBondContact O-OG 3.34Å; F703-N745 HydrophobicContact CB-CB 3.89Å; F703-N745 HydrophobicContact CD2-CB 4.19Å; F703-N745 WeakPolarHBondContact CD2-O 3.27Å; F703-N745 HydrophobicContact CG-CB 3.96Å
704	T	81.2	Confident	75.6	Confident	2 Å²	2	45 Å²	45	1%	0.012	24%	0.236	C	C	.	.			trans	-110.4	87.6	-176.4	47.3	0	0	0	0	110.6	I681 V682 G683 S684 V686 N706 M772	I681-T704 WeakPolarHBondContact O-CB 3.29Å; I681-T704 PolarHBondContact O-OG1 2.76Å; V682-T704 WeakPolarHBondContact CA-O 3.25Å; G683-T704 PolarHBondContact N-O 2.81Å; S684-T704 WeakPolarHBondContact CA-OG1 3.42Å; S684-T704 PolarHBondContact N-OG1 2.74Å; S684-T704 PolarHBondContact O-N 2.91Å; S684-T704 VanDerWaalsContact O-N 3.08Å; S684-T704 PolarHBondContact O-OG1 3.19Å; S684-T704 PolarHBondContact OG-OG1 3.45Å; V686-T704 HydrophobicContact CG2-CG2 3.71Å; T704-N706 VanDerWaalsContact C-N 3.34Å; T704-M772 HydrophobicContact CG2-CE 4.19Å; T704-M772 HydrophobicContact CG2-SD 3.55Å; T704-M772 VanDerWaalsContact CG2-SD 3.55Å
705	S	69.5	Low	74.9	Confident	68 Å²	68	44 Å²	44	48%	0.476	23%	0.229	S	C	.	.	S	Bend	trans	-73.8	-25.5	178.2	58.2	0	0	0	0	113.3
706	N	65.8	Low	74.7	Confident	64 Å²	64	44.6 Å²	44.6	34%	0.342	23%	0.225	S	C	.	.	S	Bend	trans	-142	171.5	178.1	70.1	31.1	0	0	0	111.2	V682 T704 R708 T709	V682-N706 WeakPolarHBondContact CG2-O 3.2Å; T704-N706 VanDerWaalsContact C-N 3.34Å; N706-R708 VanDerWaalsContact C-N 3.25Å; N706-R708 PolarHBondContact O-N 2.84Å; N706-R708 PolarHBondContact OD1-N 3.2Å; N706-T709 PolarHBondContact ND2-OG1 2.84Å; N706-T709 PolarHBondContact OD1-N 2.81Å; N706-T709 PolarHBondContact OD1-O 3.4Å; N706-T709 PolarHBondContact OD1-OG1 3.08Å
707	F	57.3	Low	74.5	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.022	22%	0.215	C	C	.	.	S	Bend	trans	-74.7	-8	-169.6	-63.1	-71.7	0	0	0	115.7	I681 V682 D823 D908 N910 S911	I681-F707 HydrophobicContact CG2-CD1 3.65Å; I681-F707 HydrophobicContact CG2-CE1 4.09Å; V682-F707 HydrophobicContact CB-CD1 3.99Å; V682-F707 HydrophobicContact CB-CE1 3.17Å; V682-F707 HydrophobicContact CB-CE2 4.03Å; V682-F707 HydrophobicContact CB-CZ 3.21Å; V682-F707 HydrophobicContact CG1-CE1 4.23Å; V682-F707 HydrophobicContact CG1-CE2 4.28Å; V682-F707 HydrophobicContact CG1-CZ 3.76Å; V682-F707 HydrophobicContact CG2-CB 4.4Å; V682-F707 HydrophobicContact CG2-CD1 3.22Å; V682-F707 HydrophobicContact CG2-CD2 3.79Å; V682-F707 HydrophobicContact CG2-CE1 2.94Å; V682-F707 HydrophobicContact CG2-CE2 3.59Å; V682-F707 HydrophobicContact CG2-CG 3.61Å; V682-F707 HydrophobicContact CG2-CZ 3.16Å; F707-D823 WeakPolarHBondContact CD2-OD2 3.19Å; F707-D908 WeakPolarHBondContact CB-OD2 3.31Å; F707-N910 HydrophobicContact CD1-CB 3.88Å; F707-N910 WeakPolarHBondContact CD1-O 3.42Å; F707-N910 WeakPolarHBondContact CE1-O 3.5Å; F707-S911 VanDerWaalsContact CE2-C 3.46Å; F707-S911 WeakPolarHBondContact CE2-O 3.18Å; F707-S911 VanDerWaalsContact CG-CA 3.43Å; F707-S911 WeakPolarHBondContact CZ-O 3.45Å
708	R	56.7	Low	74.5	Confident	141 Å²	141	41.8 Å²	41.8	53%	0.532	21%	0.214	S	C	.	.	S	Bend	trans	-121.6	-19.5	-170.9	-70.5	-176.4	-179.6	-119.1	1.3	113.9	N706 I771	N706-R708 VanDerWaalsContact C-N 3.25Å; N706-R708 PolarHBondContact O-N 2.84Å; N706-R708 PolarHBondContact OD1-N 3.2Å; R708-I771 WeakPolarHBondContact O-CA 3.26Å
709	T	58.2	Low	74.3	Confident	57 Å²	57	42.2 Å²	42.2	35%	0.35	22%	0.215	S	C	.	.			trans	-137.6	122	-175.9	56.9	0	0	0	0	109.9	N706	N706-T709 PolarHBondContact ND2-OG1 2.84Å; N706-T709 PolarHBondContact OD1-N 2.81Å; N706-T709 PolarHBondContact OD1-O 3.4Å; N706-T709 PolarHBondContact OD1-OG1 3.08Å
710	S	64.8	Low	73.7	Confident	13 Å²	13	46.4 Å²	46.4	9%	0.091	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-78.3	130.5	159.8	62	0	0	0	0	108.9	R702 F703	R702-S710 VanDerWaalsContact CD-OG 3.28Å; R702-S710 WeakPolarHBondContact CD-OG 3.3Å; F703-S710 CarbonylContact O-C 3.41Å; F703-S710 VanDerWaalsContact O-CA 3.3Å; F703-S710 WeakPolarHBondContact O-CA 3.36Å
711	S	69.5	Low	73.4	Confident	53 Å²	53	49.5 Å²	49.5	37%	0.371	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	141.7	160.9	43.4	0	0	0	0	108.7	R702 F703 D713	R702-S711 CarbonylContact C-O 3.32Å; R702-S711 WeakPolarHBondContact CA-O 2.94Å; R702-S711 WeakPolarHBondContact CB-O 3.37Å; F703-S711 PolarHBondContact N-O 2.97Å; F703-S711 PolarHBondContact O-N 3.39Å; F703-S711 PolarHBondContact O-OG 3.34Å; S711-D713 PolarHBondContact O-N 2.98Å
712	I	68.2	Low	73.2	Confident	58 Å²	58	58.6 Å²	58.6	30%	0.297	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.7	168.3	-63.7	173.7	0	0	0	106.9	Y1084	I712-Y1084 HydrophobicContact CD1-CD1 4.21Å; I712-Y1084 HydrophobicContact CD1-CD2 4.49Å; I712-Y1084 HydrophobicContact CD1-CG 4.17Å
713	D	72.9	Confident	73.1	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.011	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-69.6	132.8	176.8	-159.2	-20.5	0	0	0	109.5	D701 S711 Q715 Q716 N745	D701-D713 HydrophobicContact CB-CB 4.39Å; D701-D713 PolarHBondContact O-N 2.83Å; S711-D713 PolarHBondContact O-N 2.98Å; D713-Q715 PolarHBondContact O-N 2.9Å; D713-Q715 PolarHBondContact OD1-N 2.93Å; D713-Q715 VanDerWaalsContact OD1-N 3.16Å; D713-Q716 PolarHBondContact O-NE2 3.42Å; D713-N745 PolarHBondContact OD1-ND2 2.93Å; D713-N745 WeakPolarHBondContact OD2-CB 3.26Å
714	E	64.5	Low	73.3	Confident	104 Å²	104	63.8 Å²	63.8	49%	0.486	32%	0.317	S	S	.	.	S	Bend	trans	-70.1	-17.3	177.1	-67.5	-164.3	146.4	0	0	111.8	K453 S1081 L1082	K453-E714 IonicContact NZ-OE1 3.04Å; K453-E714 PolarHBondContact NZ-OE1 3.05Å; E714-S1081 CarbonylContact C-O 3.57Å; E714-S1081 WeakPolarHBondContact CA-O 3.2Å; E714-S1081 CarbonylContact O-C 3.51Å; E714-S1081 WeakPolarHBondContact O-CB 3.49Å; E714-S1081 PolarHBondContact O-OG 2.86Å; E714-L1082 HydrophobicContact CB-CD2 3.72Å; E714-L1082 HydrophobicContact CG-CD2 3.94Å; E714-L1082 WeakPolarHBondContact OE2-CD2 2.95Å
715	Q	68.6	Low	73.7	Confident	65 Å²	65	66.2 Å²	66.2	30%	0.304	33%	0.326	S	S	.	.	S	Bend	trans	-113.7	104.4	170.6	-56.4	-177.1	38.6	0	0	108.9	D713 N717 S741 D742	D713-Q715 PolarHBondContact O-N 2.9Å; D713-Q715 PolarHBondContact OD1-N 2.93Å; D713-Q715 VanDerWaalsContact OD1-N 3.16Å; Q715-N717 WeakPolarHBondContact CB-OD1 3.35Å; Q715-N717 PolarHBondContact O-N 2.8Å; Q715-N717 PolarHBondContact O-OD1 3.5Å; Q715-S741 PolarHBondContact OE1-OG 3.38Å; Q715-S741 VanDerWaalsContact OE1-OG 3.05Å; Q715-D742 HydrophobicContact CB-CB 4.14Å; Q715-D742 HydrophobicContact CG-CB 4.29Å; Q715-D742 WeakPolarHBondContact CG-OD2 3.44Å; Q715-D742 PolarHBondContact NE2-OD2 2.94Å
716	Q	78.7	Confident	74.5	Confident	67 Å²	67	69.3 Å²	69.3	31%	0.313	33%	0.331	S	S	.	.			trans	-80.6	86.7	179.7	-68.6	-67.6	-59	0	0	109.7	D701 D713 I718	D701-Q716 PolarHBondContact O-NE2 3.05Å; D713-Q716 PolarHBondContact O-NE2 3.42Å; Q716-I718 PolarHBondContact O-N 2.79Å
717	N	79.2	Confident	75.3	Confident	33 Å²	33	72.3 Å²	72.3	18%	0.176	36%	0.357	C	S	.	.			trans	-90.6	21.3	-166.3	-67.5	-6	0	0	0	113.4	D701 Q715 T740 D746	D701-N717 PolarHBondContact OD2-N 3.22Å; D701-N717 VanDerWaalsContact OD2-N 3.12Å; Q715-N717 WeakPolarHBondContact CB-OD1 3.35Å; Q715-N717 PolarHBondContact O-N 2.8Å; Q715-N717 PolarHBondContact O-OD1 3.5Å; N717-T740 HydrophobicContact CB-CG2 3.74Å; N717-T740 WeakPolarHBondContact ND2-CB 3.37Å; N717-D746 PolarHBondContact ND2-OD2 2.76Å
718	I	84.8	Confident	76.7	Confident	16 Å²	16	75.3 Å²	75.3	8%	0.082	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.6	173	58.4	171.9	0	0	0	111	V687 V699 D701 Q716 I721 F734 S735 R736	V687-I718 HydrophobicContact CG1-CD1 4.07Å; V687-I718 HydrophobicContact CG2-CG2 3.86Å; V699-I718 HydrophobicContact CG1-CD1 3.86Å; D701-I718 HydrophobicContact CB-CD1 4.37Å; D701-I718 HydrophobicContact CB-CG1 4.3Å; Q716-I718 PolarHBondContact O-N 2.79Å; I718-I721 HydrophobicContact CD1-CD1 3.77Å; I718-I721 HydrophobicContact CD1-CG1 4.48Å; I718-I721 HydrophobicContact CG1-CD1 4.01Å; I718-F734 HydrophobicContact CB-CD2 4.22Å; I718-F734 HydrophobicContact CG2-CD2 3.87Å; I718-F734 HydrophobicContact CG2-CE2 4.08Å; I718-S735 CarbonylContact C-O 3.54Å; I718-S735 WeakPolarHBondContact CA-O 3.33Å; I718-R736 HydrophobicContact CG2-CB 4.41Å
719	F	82.9	Confident	78.3	Confident	68 Å²	68	71 Å²	71	30%	0.298	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	-179.5	-179.6	57.7	-85.1	0	0	0	111.2	D656 I721 F734 S735	D656-F719 HydrophobicContact CB-CZ 4.12Å; F719-I721 PolarHBondContact O-N 3.5Å; F719-I721 VanDerWaalsContact O-N 3.14Å; F719-F734 CarbonylContact O-C 3.48Å; F719-S735 WeakPolarHBondContact CD1-O 3.38Å; F719-S735 PolarHBondContact N-O 3.44Å; F719-S735 PolarHBondContact O-N 2.76Å
720	N	75.7	Confident	79.9	Confident	107 Å²	107	68.3 Å²	68.3	57%	0.572	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.6	36.6	-177.8	-66.2	-20.9	0	0	0	114.4	R722	N720-R722 PolarHBondContact O-N 3.28Å
721	I	80.8	Confident	81.2	Confident	74 Å²	74	72.4 Å²	72.4	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.5	-176.1	-52	173.8	0	0	0	109.9	V699 I718 F719 T723 T733 F734	V699-I721 HydrophobicContact CB-CG2 4.03Å; V699-I721 HydrophobicContact CG2-CG2 3.88Å; I718-I721 HydrophobicContact CD1-CD1 3.77Å; I718-I721 HydrophobicContact CD1-CG1 4.48Å; I718-I721 HydrophobicContact CG1-CD1 4.01Å; F719-I721 PolarHBondContact O-N 3.5Å; F719-I721 VanDerWaalsContact O-N 3.14Å; I721-T723 HydrophobicContact CG2-CG2 3.98Å; I721-T733 CarbonylContact C-O 3.45Å; I721-T733 VanDerWaalsContact CA-O 3.24Å; I721-T733 WeakPolarHBondContact CA-O 3.34Å; I721-F734 HydrophobicContact CG1-CB 4.05Å
722	R	83.3	Confident	82.3	Confident	192 Å²	192	69.9 Å²	69.9	73%	0.725	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.5	168.7	-51.4	177.9	173.1	179.8	-2.3	108.6	N720 V732 T733	N720-R722 PolarHBondContact O-N 3.28Å; R722-V732 CarbonylContact O-C 3.56Å; R722-V732 VanDerWaalsContact O-CA 3.29Å; R722-V732 WeakPolarHBondContact O-CA 3.33Å; R722-T733 WeakPolarHBondContact CB-OG1 3.19Å; R722-T733 PolarHBondContact N-O 2.83Å; R722-T733 PolarHBondContact O-N 2.99Å
723	T	87.4	Confident	83.4	Confident	70 Å²	70	68.3 Å²	68.3	43%	0.429	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.2	-179.7	66.6	0	0	0	0	110.7	V697 V699 I721 K731 V732	V697-T723 HydrophobicContact CB-CG2 4.22Å; V697-T723 HydrophobicContact CG1-CG2 4.02Å; V699-T723 HydrophobicContact CG2-CG2 3.62Å; I721-T723 HydrophobicContact CG2-CG2 3.98Å; T723-K731 CarbonylContact C-O 3.41Å; T723-K731 WeakPolarHBondContact CA-O 3.26Å; T723-V732 HydrophobicContact CG2-CG1 4.37Å; T723-V732 HydrophobicContact CG2-CG2 4.09Å
724	E	88.5	Confident	84.3	Confident	81 Å²	81	68.3 Å²	68.3	38%	0.379	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	126.8	174.8	178.2	174.8	-152.6	0	0	107.8	K726 A730 K731	E724-K726 HydrophobicContact CG-CD 4.24Å; E724-K726 HydrophobicContact CG-CG 4.12Å; E724-K726 VanDerWaalsContact OE1-CD 3.27Å; E724-K726 WeakPolarHBondContact OE1-CD 3.33Å; E724-K726 WeakPolarHBondContact OE1-CE 3.17Å; E724-K726 IonicContact OE1-NZ 3.52Å; E724-K726 PolarHBondContact OE1-NZ 3.29Å; E724-A730 CarbonylContact O-C 3.52Å; E724-A730 WeakPolarHBondContact O-CA 3.45Å; E724-K731 HydrophobicContact CB-CB 4.41Å; E724-K731 PolarHBondContact N-O 3.3Å; E724-K731 PolarHBondContact O-N 2.91Å
725	Y	91.4	Very high	85.6	Confident	53 Å²	53	63.8 Å²	63.8	21%	0.208	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	108.7	170.9	-175.9	-117.2	0	0	0	109.7	G665 I666 P667 I691 V697 Q729 A730	G665-Y725 WeakPolarHBondContact O-CE2 3.07Å; G665-Y725 PolarHBondContact O-OH 2.92Å; I666-Y725 WeakPolarHBondContact CA-OH 3.3Å; P667-Y725 WeakPolarHBondContact CD-OH 3.44Å; I691-Y725 HydrophobicContact CD1-CD2 4.15Å; I691-Y725 HydrophobicContact CD1-CE2 3.63Å; I691-Y725 HydrophobicContact CG1-CD2 4.4Å; I691-Y725 HydrophobicContact CG1-CE2 4.28Å; I691-Y725 HydrophobicContact CG2-CD1 4.3Å; I691-Y725 HydrophobicContact CG2-CD2 4.32Å; I691-Y725 HydrophobicContact CG2-CE1 4.04Å; I691-Y725 HydrophobicContact CG2-CE2 4.08Å; I691-Y725 HydrophobicContact CG2-CG 4.43Å; V697-Y725 HydrophobicContact CG2-CG 4.33Å; Y725-Q729 WeakPolarHBondContact CA-O 3.2Å; Y725-Q729 WeakPolarHBondContact CD2-O 3.35Å; Y725-A730 HydrophobicContact CD2-CB 3.88Å; Y725-A730 HydrophobicContact CE2-CB 4.49Å
726	K	85.5	Confident	86.7	Confident	133 Å²	133	60.8 Å²	60.8	58%	0.578	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	143	178.7	-70.4	-174.8	-173.8	153.1	0	109.8	E724 S728 Q729	E724-K726 HydrophobicContact CG-CD 4.24Å; E724-K726 HydrophobicContact CG-CG 4.12Å; E724-K726 VanDerWaalsContact OE1-CD 3.27Å; E724-K726 WeakPolarHBondContact OE1-CD 3.33Å; E724-K726 WeakPolarHBondContact OE1-CE 3.17Å; E724-K726 IonicContact OE1-NZ 3.52Å; E724-K726 PolarHBondContact OE1-NZ 3.29Å; K726-S728 VanDerWaalsContact C-N 3.28Å; K726-S728 PolarHBondContact O-N 3.45Å; K726-Q729 PolarHBondContact N-O 3.46Å; K726-Q729 PolarHBondContact O-N 3.31Å; K726-Q729 VanDerWaalsContact O-O 3.09Å
727	S	83.5	Confident	87.2	Confident	127 Å²	127	59.2 Å²	59.2	89%	0.888	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	39.9	173.1	-55.7	0	0	0	0	114.3	Q729	S727-Q729 PolarHBondContact O-N 2.9Å
728	S	86.3	Confident	87.7	Confident	67 Å²	67	58 Å²	58	47%	0.469	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	20.8	-175	-45.2	0	0	0	0	114.7	N664 G665 K726	N664-S728 CarbonylContact C-O 3.47Å; N664-S728 VanDerWaalsContact CA-O 3.26Å; N664-S728 WeakPolarHBondContact CA-O 3.44Å; G665-S728 PolarHBondContact N-O 2.77Å; G665-S728 CarbonylContact O-C 3.58Å; G665-S728 VanDerWaalsContact O-O 3.1Å; K726-S728 VanDerWaalsContact C-N 3.28Å; K726-S728 PolarHBondContact O-N 3.45Å
729	Q	89.5	Confident	87.8	Confident	52 Å²	52	60.1 Å²	60.1	24%	0.243	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	173.2	-176.7	175.3	83.7	0	0	109.2	F663 N664 Y725 K726 S727	F663-Q729 WeakPolarHBondContact O-CA 3.37Å; N664-Q729 PolarHBondContact OD1-NE2 2.78Å; N664-Q729 VanDerWaalsContact OD1-NE2 3.09Å; Y725-Q729 WeakPolarHBondContact CA-O 3.2Å; Y725-Q729 WeakPolarHBondContact CD2-O 3.35Å; K726-Q729 PolarHBondContact N-O 3.46Å; K726-Q729 PolarHBondContact O-N 3.31Å; K726-Q729 VanDerWaalsContact O-O 3.09Å; S727-Q729 PolarHBondContact O-N 2.9Å
730	A	91.7	Very high	87.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.6	170.7	0	0	0	0	0	108.8	A662 F663 I691 V697 E724 Y725	A662-A730 CarbonylContact C-O 3.47Å; A662-A730 WeakPolarHBondContact CA-O 3.06Å; F663-A730 HydrophobicContact CD1-CB 4.02Å; F663-A730 HydrophobicContact CE1-CB 3.55Å; F663-A730 HydrophobicContact CZ-CB 4Å; F663-A730 PolarHBondContact N-O 2.9Å; F663-A730 PolarHBondContact O-N 2.92Å; I691-A730 HydrophobicContact CD1-CB 4.01Å; I691-A730 HydrophobicContact CG1-CB 4.04Å; V697-A730 HydrophobicContact CG2-CB 4.09Å; E724-A730 CarbonylContact O-C 3.52Å; E724-A730 WeakPolarHBondContact O-CA 3.45Å; Y725-A730 HydrophobicContact CD2-CB 3.88Å; Y725-A730 HydrophobicContact CE2-CB 4.49Å
731	K	92.6	Very high	87.9	Confident	99 Å²	99	57.9 Å²	57.9	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.5	175.5	-175.5	-179.4	177.3	-168.6	0	108.8	L661 A662 T723 E724	L661-K731 CarbonylContact O-C 3.51Å; L661-K731 WeakPolarHBondContact O-CA 3.5Å; A662-K731 HydrophobicContact CB-CB 4.33Å; A662-K731 HydrophobicContact CB-CG 4.31Å; T723-K731 CarbonylContact C-O 3.41Å; T723-K731 WeakPolarHBondContact CA-O 3.26Å; E724-K731 HydrophobicContact CB-CB 4.41Å; E724-K731 PolarHBondContact N-O 3.3Å; E724-K731 PolarHBondContact O-N 2.91Å
732	V	92.2	Very high	87.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134	-176.4	177.2	0	0	0	0	108.8	S660 L661 M689 V697 V699 R722 T723 F734	S660-V732 CarbonylContact C-O 3.57Å; S660-V732 WeakPolarHBondContact CA-O 2.86Å; L661-V732 PolarHBondContact N-O 2.78Å; L661-V732 PolarHBondContact O-N 3.25Å; M689-V732 HydrophobicContact CB-CG2 4.11Å; M689-V732 HydrophobicContact SD-CG2 4.33Å; V697-V732 HydrophobicContact CG1-CG2 3.74Å; V699-V732 HydrophobicContact CB-CG1 4.48Å; V699-V732 HydrophobicContact CG1-CG1 4.19Å; V699-V732 HydrophobicContact CG2-CB 4.39Å; V699-V732 HydrophobicContact CG2-CG1 3.49Å; V699-V732 VanDerWaalsContact CG2-CG1 3.49Å; V699-V732 HydrophobicContact CG2-CG2 3.95Å; R722-V732 CarbonylContact O-C 3.56Å; R722-V732 VanDerWaalsContact O-CA 3.29Å; R722-V732 WeakPolarHBondContact O-CA 3.33Å; T723-V732 HydrophobicContact CG2-CG1 4.37Å; T723-V732 HydrophobicContact CG2-CG2 4.09Å; V732-F734 HydrophobicContact CG1-CD1 4.1Å
733	T	92	Very high	87.4	Confident	25 Å²	25	54.1 Å²	54.1	15%	0.153	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.5	163.8	65.3	0	0	0	0	109.1	F659 S660 I721 R722	F659-T733 CarbonylContact O-C 3.51Å; F659-T733 WeakPolarHBondContact O-CA 3.47Å; S660-T733 WeakPolarHBondContact OG-CG2 3.44Å; I721-T733 CarbonylContact C-O 3.45Å; I721-T733 VanDerWaalsContact CA-O 3.24Å; I721-T733 WeakPolarHBondContact CA-O 3.34Å; R722-T733 WeakPolarHBondContact CB-OG1 3.19Å; R722-T733 PolarHBondContact N-O 2.83Å; R722-T733 PolarHBondContact O-N 2.99Å
734	F	91.5	Very high	86.9	Confident	1 Å²	1	58.3 Å²	58.3	0%	0.004	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.5	173.6	65.6	-97.1	0	0	0	109.4	E658 F659 L661 I673 V687 I718 F719 I721 V732	E658-F734 CarbonylContact C-O 3.59Å; F659-F734 HydrophobicContact CB-CD1 4.28Å; F659-F734 HydrophobicContact CB-CD2 4.19Å; F659-F734 HydrophobicContact CB-CE1 3.89Å; F659-F734 HydrophobicContact CB-CE2 3.76Å; F659-F734 HydrophobicContact CB-CG 4.42Å; F659-F734 HydrophobicContact CB-CZ 3.59Å; F659-F734 HydrophobicContact CD2-CD2 4.09Å; F659-F734 AromaticContact CD2-CE2 3.46Å; F659-F734 HydrophobicContact CD2-CE2 3.46Å; F659-F734 VanDerWaalsContact CD2-CE2 3.46Å; F659-F734 AromaticContact CD2-CZ 3.99Å; F659-F734 HydrophobicContact CD2-CZ 3.99Å; F659-F734 HydrophobicContact CE2-CE2 4.29Å; F659-F734 AromaticContact CG-CE2 3.8Å; F659-F734 HydrophobicContact CG-CE2 3.8Å; F659-F734 AromaticContact CG-CZ 3.85Å; F659-F734 HydrophobicContact CG-CZ 3.85Å; F659-F734 PolarHBondContact N-O 3.02Å; F659-F734 PolarHBondContact O-N 2.97Å; L661-F734 HydrophobicContact CD1-CD1 4.08Å; L661-F734 HydrophobicContact CD1-CE1 3.35Å; L661-F734 HydrophobicContact CD1-CZ 4.09Å; I673-F734 HydrophobicContact CG2-CE1 4.3Å; I673-F734 HydrophobicContact CG2-CZ 3.95Å; V687-F734 HydrophobicContact CB-CE1 4.07Å; V687-F734 HydrophobicContact CB-CE2 4.38Å; V687-F734 HydrophobicContact CB-CZ 3.74Å; V687-F734 HydrophobicContact CG1-CD1 4.09Å; V687-F734 HydrophobicContact CG1-CE1 3.55Å; V687-F734 HydrophobicContact CG1-CE2 4.26Å; V687-F734 HydrophobicContact CG1-CZ 3.68Å; V687-F734 HydrophobicContact CG2-CE1 4.49Å; V687-F734 HydrophobicContact CG2-CE2 3.92Å; V687-F734 HydrophobicContact CG2-CZ 3.76Å; I718-F734 HydrophobicContact CB-CD2 4.22Å; I718-F734 HydrophobicContact CG2-CD2 3.87Å; I718-F734 HydrophobicContact CG2-CE2 4.08Å; F719-F734 CarbonylContact O-C 3.48Å; I721-F734 HydrophobicContact CG1-CB 4.05Å; V732-F734 HydrophobicContact CG1-CD1 4.1Å
735	S	91.3	Very high	86.7	Confident	9 Å²	9	56.2 Å²	56.2	6%	0.063	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	149.1	174	-61.4	0	0	0	0	110.4	V657 I718 F719	V657-S735 CarbonylContact O-C 3.6Å; V657-S735 VanDerWaalsContact O-CA 3.26Å; V657-S735 WeakPolarHBondContact O-CA 3.46Å; I718-S735 CarbonylContact C-O 3.54Å; I718-S735 WeakPolarHBondContact CA-O 3.33Å; F719-S735 WeakPolarHBondContact CD1-O 3.38Å; F719-S735 PolarHBondContact N-O 3.44Å; F719-S735 PolarHBondContact O-N 2.76Å
736	R	91.6	Very high	86.5	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138	172.7	-176.5	175.2	175.9	-140.9	-1.6	109.3	V657 F659 D685 I718 D746 V747	V657-R736 PolarHBondContact N-O 2.93Å; V657-R736 PolarHBondContact O-N 2.76Å; F659-R736 HydrophobicContact CE2-CB 4.31Å; D685-R736 VanDerWaalsContact CG-CZ 3.49Å; D685-R736 IonicContact OD1-CZ 3.49Å; D685-R736 IonicContact OD1-NH1 3.41Å; D685-R736 PolarHBondContact OD1-NH1 2.95Å; D685-R736 VanDerWaalsContact OD1-NH1 3.09Å; D685-R736 IonicContact OD1-NH2 3.8Å; D685-R736 IonicContact OD2-CZ 2.88Å; D685-R736 IonicContact OD2-NH1 2.68Å; D685-R736 PolarHBondContact OD2-NH1 2.85Å; D685-R736 IonicContact OD2-NH2 3.62Å; D685-R736 PolarHBondContact OD2-NH2 2.71Å; I718-R736 HydrophobicContact CG2-CB 4.41Å; R736-D746 IonicContact CZ-OD1 3.11Å; R736-D746 IonicContact NE-OD1 3.74Å; R736-D746 VanDerWaalsContact NH2-CB 3.27Å; R736-D746 VanDerWaalsContact NH2-CG 3.27Å; R736-D746 IonicContact NH2-OD1 2.78Å; R736-D746 PolarHBondContact NH2-OD1 2.87Å; R736-V747 PolarHBondContact NH2-O 2.85Å
737	S	90.5	Very high	86.8	Confident	35 Å²	35	48.4 Å²	48.4	25%	0.245	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	153.4	176.8	-56.6	0	0	0	0	111.4	N655 D656 A739	N655-S737 CarbonylContact O-C 3.36Å; N655-S737 WeakPolarHBondContact O-CA 3.26Å; D656-S737 WeakPolarHBondContact OD1-CB 3.49Å; D656-S737 PolarHBondContact OD1-OG 3.04Å; S737-A739 WeakPolarHBondContact CB-O 3.32Å; S737-A739 PolarHBondContact O-N 3.33Å
738	L	89.8	Confident	87.1	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	-61.1	-31.2	-179	-71.8	166.5	0	0	0	113.3	R652 N655 V657 S748 L749 N750 L786	R652-L738 VanDerWaalsContact NH2-CD1 3.29Å; N655-L738 WeakPolarHBondContact O-CG 3.33Å; N655-L738 PolarHBondContact O-N 2.81Å; V657-L738 HydrophobicContact CG2-CD2 3.66Å; V657-L738 HydrophobicContact CG2-CG 4.21Å; L738-S748 CarbonylContact O-C 3.1Å; L738-S748 PolarHBondContact O-OG 2.66Å; L738-S748 VanDerWaalsContact O-OG 3.09Å; L738-L749 HydrophobicContact CD2-CB 4.04Å; L738-L749 CarbonylContact O-C 3.47Å; L738-L749 WeakPolarHBondContact O-CA 3.33Å; L738-L749 PolarHBondContact O-N 2.98Å; L738-N750 HydrophobicContact CB-CB 4.45Å; L738-N750 PolarHBondContact O-N 2.84Å; L738-N750 VanDerWaalsContact O-N 3.08Å; L738-L786 HydrophobicContact CD2-CB 3.61Å
739	A	85.2	Confident	87.4	Confident	61 Å²	61	40.6 Å²	40.6	50%	0.504	23%	0.226	S	C	.	.	S	Bend	trans	-133.5	143.9	173.9	0	0	0	0	0	107.6	S737	S737-A739 WeakPolarHBondContact CB-O 3.32Å; S737-A739 PolarHBondContact O-N 3.33Å
740	T	84	Confident	87.4	Confident	32 Å²	32	42.2 Å²	42.2	20%	0.196	24%	0.236	C	C	.	.			trans	-125.4	168.2	-178.2	57	0	0	0	0	108.7	N717 D742 D746	N717-T740 HydrophobicContact CB-CG2 3.74Å; N717-T740 WeakPolarHBondContact ND2-CB 3.37Å; T740-D742 VanDerWaalsContact C-N 3.28Å; T740-D746 WeakPolarHBondContact CB-OD2 3.13Å; T740-D746 WeakPolarHBondContact CG2-OD2 3.48Å; T740-D746 WeakPolarHBondContact OG1-CB 3.18Å; T740-D746 PolarHBondContact OG1-OD2 3.29Å
741	S	77.4	Confident	87.2	Confident	97 Å²	97	45.8 Å²	45.8	68%	0.678	26%	0.255	S	S	*	.	S	Bend	trans	-74.1	-18.1	176.6	47.9	0	0	0	0	113.5	Q715 E743	Q715-S741 PolarHBondContact OE1-OG 3.38Å; Q715-S741 VanDerWaalsContact OE1-OG 3.05Å; S741-E743 PolarHBondContact O-N 3.19Å
742	D	78.4	Confident	87.1	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.027	25%	0.246	C	C	.	.			trans	-88.3	70.2	-177.9	-161.3	-27.5	0	0	0	112.8	Q715 T740 M744 N745 D746	Q715-D742 HydrophobicContact CB-CB 4.14Å; Q715-D742 HydrophobicContact CG-CB 4.29Å; Q715-D742 WeakPolarHBondContact CG-OD2 3.44Å; Q715-D742 PolarHBondContact NE2-OD2 2.94Å; T740-D742 VanDerWaalsContact C-N 3.28Å; D742-M744 PolarHBondContact O-N 2.69Å; D742-M744 PolarHBondContact OD1-N 3.09Å; D742-N745 PolarHBondContact O-N 2.77Å; D742-N745 PolarHBondContact OD1-N 2.87Å; D742-N745 PolarHBondContact OD2-ND2 3.34Å; D742-D746 HydrophobicContact CB-CB 4.3Å; D742-D746 WeakPolarHBondContact O-CA 3.45Å; D742-D746 WeakPolarHBondContact O-CB 3.25Å; D742-D746 PolarHBondContact O-N 2.92Å
743	E	75.8	Confident	87.2	Confident	181 Å²	181	42.8 Å²	42.8	85%	0.846	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-9	179.2	-62.3	-173.4	173	0	0	114.6	S741	S741-E743 PolarHBondContact O-N 3.19Å
744	M	76.2	Confident	87.2	Confident	158 Å²	158	42.1 Å²	42.1	78%	0.778	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-45.2	-179.2	-70.3	-166.6	-65.8	0	0	112.3	D742	D742-M744 PolarHBondContact O-N 2.69Å; D742-M744 PolarHBondContact OD1-N 3.09Å
745	N	84.4	Confident	87.4	Confident	38 Å²	38	42 Å²	42	20%	0.203	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-25.5	-175.9	-62.6	-30.6	0	0	0	112.4	D685 F703 D713 D742	D685-N745 WeakPolarHBondContact CB-O 3.44Å; F703-N745 HydrophobicContact CB-CB 3.89Å; F703-N745 HydrophobicContact CD2-CB 4.19Å; F703-N745 WeakPolarHBondContact CD2-O 3.27Å; F703-N745 HydrophobicContact CG-CB 3.96Å; D713-N745 PolarHBondContact OD1-ND2 2.93Å; D713-N745 WeakPolarHBondContact OD2-CB 3.26Å; D742-N745 PolarHBondContact O-N 2.77Å; D742-N745 PolarHBondContact OD1-N 2.87Å; D742-N745 PolarHBondContact OD2-ND2 3.34Å
746	D	88	Confident	87.5	Confident	12 Å²	12	42 Å²	42	6%	0.064	24%	0.24	C	C	.	.			trans	-90	134.4	178.1	-78.5	-50.1	0	0	0	113.2	N717 R736 T740 D742	N717-D746 PolarHBondContact ND2-OD2 2.76Å; R736-D746 IonicContact CZ-OD1 3.11Å; R736-D746 IonicContact NE-OD1 3.74Å; R736-D746 VanDerWaalsContact NH2-CB 3.27Å; R736-D746 VanDerWaalsContact NH2-CG 3.27Å; R736-D746 IonicContact NH2-OD1 2.78Å; R736-D746 PolarHBondContact NH2-OD1 2.87Å; T740-D746 WeakPolarHBondContact CB-OD2 3.13Å; T740-D746 WeakPolarHBondContact CG2-OD2 3.48Å; T740-D746 WeakPolarHBondContact OG1-CB 3.18Å; T740-D746 PolarHBondContact OG1-OD2 3.29Å; D742-D746 HydrophobicContact CB-CB 4.3Å; D742-D746 WeakPolarHBondContact O-CA 3.45Å; D742-D746 WeakPolarHBondContact O-CB 3.25Å; D742-D746 PolarHBondContact O-N 2.92Å
747	V	90.1	Very high	87.6	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.055	24%	0.24	C	C	.	.			trans	-87.2	113.7	166.8	172.6	0	0	0	0	109.5	F675 K677 D685 R736 L749 V753	F675-V747 HydrophobicContact CB-CB 4.21Å; F675-V747 HydrophobicContact CB-CG1 4.34Å; F675-V747 WeakPolarHBondContact O-CG2 3.5Å; K677-V747 HydrophobicContact CG-CG1 3.79Å; D685-V747 PolarHBondContact OD2-N 2.97Å; R736-V747 PolarHBondContact NH2-O 2.85Å; V747-L749 PolarHBondContact O-N 2.82Å; V747-V753 HydrophobicContact CG1-CB 4.33Å; V747-V753 HydrophobicContact CG1-CG1 3.58Å
748	S	91.2	Very high	87.7	Confident	30 Å²	30	40.6 Å²	40.6	21%	0.21	23%	0.229	C	C	.	.			trans	-57.9	122.5	174	-177.5	0	0	0	0	111.9	L738 N750 D751	L738-S748 CarbonylContact O-C 3.1Å; L738-S748 PolarHBondContact O-OG 2.66Å; L738-S748 VanDerWaalsContact O-OG 3.09Å; S748-N750 PolarHBondContact O-N 2.82Å; S748-N750 WeakPolarHBondContact OG-CB 3.19Å; S748-N750 PolarHBondContact OG-N 3Å; S748-D751 PolarHBondContact O-N 3.3Å
749	L	92.5	Very high	87.6	Confident	1 Å²	1	41 Å²	41	1%	0.005	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.7	173.8	-51.8	-179.8	0	0	0	112.7	F659 F675 L738 V747 V753 L786 G787	F659-L749 HydrophobicContact CE2-CD1 4.15Å; F659-L749 HydrophobicContact CZ-CD1 3.88Å; F675-L749 HydrophobicContact CB-CD2 3.88Å; F675-L749 HydrophobicContact CD1-CD2 3.48Å; F675-L749 VanDerWaalsContact CD1-CD2 3.48Å; F675-L749 HydrophobicContact CD2-CD2 4.45Å; F675-L749 HydrophobicContact CE1-CD1 4.37Å; F675-L749 HydrophobicContact CE1-CD2 4.1Å; F675-L749 HydrophobicContact CG-CD2 3.67Å; L738-L749 HydrophobicContact CD2-CB 4.04Å; L738-L749 CarbonylContact O-C 3.47Å; L738-L749 WeakPolarHBondContact O-CA 3.33Å; L738-L749 PolarHBondContact O-N 2.98Å; V747-L749 PolarHBondContact O-N 2.82Å; L749-V753 HydrophobicContact CD2-CG2 3.86Å; L749-L786 HydrophobicContact CB-CD1 4.35Å; L749-L786 HydrophobicContact CD1-CD1 4.26Å; L749-G787 PolarHBondContact O-N 2.84Å
750	N	88.5	Confident	87.7	Confident	85 Å²	85	42.9 Å²	42.9	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-31	166.9	-155.5	28.3	0	0	0	110.8	L738 S748 G787	L738-N750 HydrophobicContact CB-CB 4.45Å; L738-N750 PolarHBondContact O-N 2.84Å; L738-N750 VanDerWaalsContact O-N 3.08Å; S748-N750 PolarHBondContact O-N 2.82Å; S748-N750 WeakPolarHBondContact OG-CB 3.19Å; S748-N750 PolarHBondContact OG-N 3Å; N750-G787 WeakPolarHBondContact OD1-CA 3.37Å
751	D	88.2	Confident	87.9	Confident	75 Å²	75	43.1 Å²	43.1	40%	0.401	23%	0.228	S	C	.	.	S	Bend	trans	-76	163.7	171.1	-69.6	-29	0	0	0	112	K677 S748 V753	K677-D751 WeakPolarHBondContact CE-OD2 3.38Å; K677-D751 IonicContact NZ-OD2 3.71Å; K677-D751 PolarHBondContact NZ-OD2 2.87Å; S748-D751 PolarHBondContact O-N 3.3Å; D751-V753 HydrophobicContact CB-CG1 4.24Å; D751-V753 PolarHBondContact O-N 3.27Å
752	C	90.8	Very high	88.3	Confident	36 Å²	36	39 Å²	39	24%	0.243	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.7	166.9	-64.1	0	0	0	0	109.9	L783 C785	C752-L783 HydrophobicContact CB-CB 4.07Å; C752-L783 HydrophobicContact CB-CD1 4.46Å; C752-C785 HydrophobicContact CB-CB 3.96Å; C752-C785 WeakPolarHBondContact CB-SG 3.34Å; C752-C785 WeakPolarHBondContact SG-CB 3.42Å; C752-C785 CovalentContact SG-SG 2.02Å; C752-C785 PolarHBondContact SG-SG 2.88Å
753	V	93.3	Very high	88.7	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.3	-175.1	-57.5	0	0	0	0	111.7	K677 V747 L749 D751 F755 I784	K677-V753 HydrophobicContact CG-CG1 4.38Å; V747-V753 HydrophobicContact CG1-CB 4.33Å; V747-V753 HydrophobicContact CG1-CG1 3.58Å; L749-V753 HydrophobicContact CD2-CG2 3.86Å; D751-V753 HydrophobicContact CB-CG1 4.24Å; D751-V753 PolarHBondContact O-N 3.27Å; V753-F755 HydrophobicContact CG2-CD1 4.06Å; V753-F755 HydrophobicContact CG2-CE1 3.83Å; V753-I784 PolarHBondContact N-O 2.84Å; V753-I784 PolarHBondContact O-N 2.77Å
754	Y	93.6	Very high	88.9	Confident	10 Å²	10	39.1 Å²	39.1	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.9	166.9	-67.5	-83.1	0	0	0	109.8	S676 N678 G679 R779 L783 I794	S676-Y754 PolarHBondContact N-O 3.41Å; S676-Y754 WeakPolarHBondContact O-CB 3.38Å; S676-Y754 PolarHBondContact O-N 2.93Å; N678-Y754 VanDerWaalsContact C-CD2 3.47Å; G679-Y754 VanDerWaalsContact CA-CD2 3.43Å; Y754-R779 VanDerWaalsContact CD1-CD 3.42Å; Y754-R779 HydrophobicContact CD1-CG 3.49Å; Y754-R779 VanDerWaalsContact CD1-CG 3.49Å; Y754-R779 HydrophobicContact CE1-CG 4.18Å; Y754-R779 HydrophobicContact CG-CG 3.88Å; Y754-L783 HydrophobicContact CD1-CD2 4.07Å; Y754-L783 HydrophobicContact CD2-CD2 3.43Å; Y754-L783 VanDerWaalsContact CD2-CD2 3.43Å; Y754-L783 HydrophobicContact CE1-CD2 4.12Å; Y754-L783 HydrophobicContact CE1-CG 4.35Å; Y754-L783 HydrophobicContact CE2-CD2 3.48Å; Y754-L783 VanDerWaalsContact CE2-CD2 3.48Å; Y754-L783 HydrophobicContact CE2-CG 4.32Å; Y754-L783 HydrophobicContact CG-CD2 3.79Å; Y754-I794 HydrophobicContact CE1-CD1 3.51Å; Y754-I794 VanDerWaalsContact CZ-CD1 3.45Å; Y754-I794 WeakPolarHBondContact OH-CD1 3.45Å
755	F	94.8	Very high	88.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.6	166.4	-74.6	21.7	0	0	0	108.6	W650 F659 I673 G674 F675 V753 Y757 R779 S780 I784 L786	W650-F755 HydrophobicContact CD2-CD2 4.33Å; W650-F755 AromaticContact CD2-CE2 3.62Å; W650-F755 HydrophobicContact CD2-CE2 3.62Å; W650-F755 AromaticContact CE2-CE2 3.88Å; W650-F755 HydrophobicContact CE3-CD2 4.05Å; W650-F755 AromaticContact CE3-CE2 3.75Å; W650-F755 HydrophobicContact CE3-CE2 3.75Å; W650-F755 HydrophobicContact CG-CE2 4.05Å; W650-F755 HydrophobicContact CH2-CD2 4.25Å; W650-F755 HydrophobicContact CH2-CE2 4.37Å; W650-F755 HydrophobicContact CZ2-CD2 4.5Å; W650-F755 HydrophobicContact CZ2-CE2 4.24Å; W650-F755 HydrophobicContact CZ3-CD2 4.02Å; W650-F755 HydrophobicContact CZ3-CE2 4.15Å; F659-F755 AromaticContact CE1-CE2 3.77Å; F659-F755 HydrophobicContact CE1-CE2 3.77Å; F659-F755 HydrophobicContact CE1-CZ 4.02Å; F659-F755 HydrophobicContact CZ-CZ 4.39Å; I673-F755 HydrophobicContact CD1-CD2 4.17Å; G674-F755 CarbonylContact O-C 3.45Å; G674-F755 WeakPolarHBondContact O-CA 3.15Å; F675-F755 AromaticContact CD1-CD1 3.89Å; F675-F755 HydrophobicContact CD1-CD1 3.89Å; F675-F755 AromaticContact CD1-CE1 3.78Å; F675-F755 HydrophobicContact CD1-CE1 3.78Å; F675-F755 HydrophobicContact CD1-CG 4.43Å; F675-F755 HydrophobicContact CD1-CZ 4.23Å; F675-F755 HydrophobicContact CE1-CD1 4.32Å; F675-F755 HydrophobicContact CE1-CE1 4.04Å; F675-F755 HydrophobicContact CE1-CE2 4.27Å; F675-F755 HydrophobicContact CE1-CZ 4.01Å; V753-F755 HydrophobicContact CG2-CD1 4.06Å; V753-F755 HydrophobicContact CG2-CE1 3.83Å; F755-Y757 HydrophobicContact CB-CE1 3.91Å; F755-Y757 HydrophobicContact CB-CE2 4.17Å; F755-Y757 WeakPolarHBondContact CB-OH 3.29Å; F755-Y757 HydrophobicContact CD2-CE1 4.24Å; F755-R779 CarbonylContact O-C 3.56Å; F755-R779 WeakPolarHBondContact O-CA 3.34Å; F755-S780 PolarHBondContact N-OG 2.85Å; F755-S780 VanDerWaalsContact N-OG 3.14Å; F755-S780 PolarHBondContact O-N 3.45Å; F755-I784 HydrophobicContact CB-CD1 3.92Å; F755-I784 HydrophobicContact CD1-CB 4.19Å; F755-I784 HydrophobicContact CD1-CD1 3.73Å; F755-I784 HydrophobicContact CD2-CD1 3.58Å; F755-I784 HydrophobicContact CE1-CB 3.95Å; F755-I784 HydrophobicContact CE1-CD1 4.08Å; F755-I784 HydrophobicContact CE1-CG2 3.98Å; F755-I784 HydrophobicContact CE2-CD1 3.94Å; F755-I784 HydrophobicContact CE2-CG2 4.49Å; F755-I784 HydrophobicContact CG-CD1 3.46Å; F755-I784 VanDerWaalsContact CG-CD1 3.46Å; F755-I784 HydrophobicContact CZ-CB 4.32Å; F755-I784 HydrophobicContact CZ-CD1 4.17Å; F755-I784 HydrophobicContact CZ-CG2 3.9Å; F755-L786 HydrophobicContact CZ-CD1 3.99Å; F755-L786 HydrophobicContact CZ-CG 4.29Å
756	L	93.7	Very high	87.3	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.037	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.7	179.5	-56.9	-174.9	0	0	0	108.3	I673 G674 V777 R779	I673-L756 CarbonylContact C-O 3.5Å; I673-L756 VanDerWaalsContact CA-O 3.32Å; I673-L756 WeakPolarHBondContact CA-O 3.32Å; G674-L756 PolarHBondContact N-O 2.9Å; G674-L756 PolarHBondContact O-N 2.8Å; L756-V777 HydrophobicContact CB-CG1 3.74Å; L756-V777 HydrophobicContact CD2-CG1 4.21Å; L756-V777 HydrophobicContact CG-CG1 4.39Å; L756-R779 HydrophobicContact CD2-CB 4.1Å; L756-R779 HydrophobicContact CD2-CG 4.03Å
757	Y	94	Very high	85.7	Confident	5 Å²	5	42.5 Å²	42.5	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.9	-176.8	-50	-70.4	0	0	0	109.8	F633 Y646 A648 W650 I673 F755 I759 V777 M778	F633-Y757 HydrophobicContact CB-CD1 4.1Å; F633-Y757 HydrophobicContact CB-CD2 4.36Å; F633-Y757 HydrophobicContact CB-CE1 3.63Å; F633-Y757 HydrophobicContact CB-CE2 3.93Å; F633-Y757 HydrophobicContact CB-CG 4.44Å; F633-Y757 AromaticContact CD1-CD1 3.69Å; F633-Y757 HydrophobicContact CD1-CD1 3.69Å; F633-Y757 AromaticContact CD1-CD2 3.68Å; F633-Y757 HydrophobicContact CD1-CD2 3.68Å; F633-Y757 HydrophobicContact CD1-CE1 4.11Å; F633-Y757 HydrophobicContact CD1-CE2 4.12Å; F633-Y757 AromaticContact CD1-CG 3.45Å; F633-Y757 HydrophobicContact CD1-CG 3.45Å; F633-Y757 VanDerWaalsContact CD1-CG 3.45Å; F633-Y757 AromaticContact CD2-CD2 3.67Å; F633-Y757 HydrophobicContact CD2-CD2 3.67Å; F633-Y757 AromaticContact CD2-CE2 3.54Å; F633-Y757 HydrophobicContact CD2-CE2 3.54Å; F633-Y757 HydrophobicContact CD2-CG 4.3Å; F633-Y757 HydrophobicContact CE1-CD1 4.33Å; F633-Y757 AromaticContact CE1-CD2 3.79Å; F633-Y757 HydrophobicContact CE1-CD2 3.79Å; F633-Y757 AromaticContact CE1-CG 3.65Å; F633-Y757 HydrophobicContact CE1-CG 3.65Å; F633-Y757 AromaticContact CE2-CD2 3.78Å; F633-Y757 HydrophobicContact CE2-CD2 3.78Å; F633-Y757 HydrophobicContact CE2-CE2 4.05Å; F633-Y757 HydrophobicContact CE2-CG 4.47Å; F633-Y757 AromaticContact CG-CD1 3.94Å; F633-Y757 HydrophobicContact CG-CD1 3.94Å; F633-Y757 AromaticContact CG-CD2 3.61Å; F633-Y757 HydrophobicContact CG-CD2 3.61Å; F633-Y757 AromaticContact CG-CE1 3.89Å; F633-Y757 HydrophobicContact CG-CE1 3.89Å; F633-Y757 AromaticContact CG-CE2 3.57Å; F633-Y757 HydrophobicContact CG-CE2 3.57Å; F633-Y757 AromaticContact CG-CG 3.8Å; F633-Y757 HydrophobicContact CG-CG 3.8Å; F633-Y757 AromaticContact CG-CZ 3.71Å; F633-Y757 AromaticContact CZ-CD2 3.84Å; F633-Y757 HydrophobicContact CZ-CD2 3.84Å; F633-Y757 HydrophobicContact CZ-CG 4.16Å; Y646-Y757 AromaticContact CE1-CD1 3.97Å; Y646-Y757 HydrophobicContact CE1-CD1 3.97Å; Y646-Y757 HydrophobicContact CE1-CG 4.28Å; A648-Y757 HydrophobicContact CB-CD1 4.23Å; A648-Y757 HydrophobicContact CB-CE1 4.2Å; W650-Y757 WeakPolarHBondContact CH2-OH 3.44Å; W650-Y757 HydrophobicContact CZ3-CE1 4.37Å; I673-Y757 HydrophobicContact CD1-CD1 4.39Å; I673-Y757 HydrophobicContact CD1-CE1 4.2Å; I673-Y757 HydrophobicContact CG1-CD1 4.45Å; F755-Y757 HydrophobicContact CB-CE1 3.91Å; F755-Y757 HydrophobicContact CB-CE2 4.17Å; F755-Y757 WeakPolarHBondContact CB-OH 3.29Å; F755-Y757 HydrophobicContact CD2-CE1 4.24Å; Y757-I759 PolarHBondContact O-N 2.78Å; Y757-V777 CarbonylContact O-C 3.49Å; Y757-V777 WeakPolarHBondContact O-CA 3.33Å; Y757-M778 HydrophobicContact CD2-CB 4.48Å; Y757-M778 WeakPolarHBondContact CD2-O 3.48Å; Y757-M778 PolarHBondContact N-O 3.4Å; Y757-M778 PolarHBondContact O-N 2.92Å
758	H	91.3	Very high	84.1	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.019	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	78.3	179.9	-163	-79.3	0	0	0	110.9	W670 S671 A672 K760 N776 V777	W670-H758 AromaticContact CH2-CD2 3.72Å; W670-H758 AromaticContact CH2-CE1 3.44Å; W670-H758 VanDerWaalsContact CH2-CE1 3.44Å; W670-H758 WeakPolarHBondContact CH2-CE1 3.26Å; W670-H758 AromaticContact CH2-ND1 3.91Å; W670-H758 AromaticContact CH2-NE2 3.33Å; W670-H758 VanDerWaalsContact CH2-NE2 3.33Å; W670-H758 WeakPolarHBondContact CH2-NE2 3.48Å; W670-H758 AromaticContact CZ2-CE1 3.99Å; W670-H758 AromaticContact CZ3-CD2 4Å; W670-H758 AromaticContact CZ3-CE1 3.91Å; W670-H758 AromaticContact CZ3-CG 3.96Å; W670-H758 AromaticContact CZ3-ND1 3.9Å; S671-H758 PolarHBondContact OG-O 3.27Å; A672-H758 HydrophobicContact CB-CB 4.05Å; A672-H758 WeakPolarHBondContact O-CB 3.2Å; A672-H758 PolarHBondContact O-N 2.79Å; H758-K760 VanDerWaalsContact C-N 3.3Å; H758-K760 PolarHBondContact CE1-O 2.81Å; H758-K760 PolarHBondContact ND1-O 2.74Å; H758-K760 PolarHBondContact O-N 2.86Å; H758-N776 CarbonylContact C-O 3.58Å; H758-N776 WeakPolarHBondContact CA-O 3.42Å; H758-V777 HydrophobicContact CB-CG2 4.43Å
759	I	89.1	Confident	82.7	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.067	26%	0.257	C	S	.	.			trans	-69.6	-16.4	-165.8	51.8	155.6	0	0	0	115.9	F633 F635 Q645 Y646 Y757 N776 M778	F633-I759 HydrophobicContact CE1-CG2 3.72Å; F633-I759 HydrophobicContact CZ-CG2 4.05Å; F635-I759 HydrophobicContact CB-CB 4.29Å; F635-I759 HydrophobicContact CB-CG2 3.72Å; F635-I759 HydrophobicContact CD1-CB 3.8Å; F635-I759 HydrophobicContact CD1-CD1 4.14Å; F635-I759 HydrophobicContact CD1-CG2 4.16Å; F635-I759 HydrophobicContact CD2-CB 4.4Å; F635-I759 HydrophobicContact CD2-CD1 3.93Å; F635-I759 HydrophobicContact CD2-CG2 4.12Å; F635-I759 HydrophobicContact CE1-CB 4.24Å; F635-I759 HydrophobicContact CE1-CD1 3.81Å; F635-I759 HydrophobicContact CE2-CD1 3.58Å; F635-I759 HydrophobicContact CG-CB 3.89Å; F635-I759 HydrophobicContact CG-CD1 4.2Å; F635-I759 HydrophobicContact CG-CG2 3.73Å; F635-I759 HydrophobicContact CZ-CD1 3.52Å; Q645-I759 PolarHBondContact NE2-O 2.92Å; Y646-I759 HydrophobicContact CD1-CG2 4.34Å; Y646-I759 HydrophobicContact CG-CG2 4.49Å; Y757-I759 PolarHBondContact O-N 2.78Å; I759-N776 WeakPolarHBondContact CG1-O 3.23Å; I759-N776 PolarHBondContact N-O 3.01Å; I759-M778 HydrophobicContact CD1-CG 3.72Å; I759-M778 HydrophobicContact CD1-SD 3.73Å; I759-M778 HydrophobicContact CG1-CG 4.13Å; I759-M778 HydrophobicContact CG2-CB 4.32Å; I759-M778 HydrophobicContact CG2-CG 4.22Å; I759-M778 HydrophobicContact CG2-SD 4.18Å
760	K	86.3	Confident	81.8	Confident	101 Å²	101	48.6 Å²	48.6	44%	0.439	26%	0.258	S	S	.	.	S	Bend	trans	-116.2	142.1	175.2	-73.3	164.7	166.9	-179.3	0	109.3	H758 N776	H758-K760 VanDerWaalsContact C-N 3.3Å; H758-K760 PolarHBondContact CE1-O 2.81Å; H758-K760 PolarHBondContact ND1-O 2.74Å; H758-K760 PolarHBondContact O-N 2.86Å; K760-N776 HydrophobicContact CB-CB 3.98Å; K760-N776 HydrophobicContact CD-CB 4.31Å; K760-N776 WeakPolarHBondContact CD-OD1 3.2Å
761	N	87.2	Confident	81.1	Confident	37 Å²	37	49.5 Å²	49.5	20%	0.198	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-72.4	136.9	-175.4	-47.5	-12.3	0	0	0	110.5	F663 N664 G665 E669 W670	F663-N761 WeakPolarHBondContact CD2-OD1 3.38Å; N664-N761 PolarHBondContact O-ND2 2.99Å; G665-N761 VanDerWaalsContact CA-ND2 3.28Å; G665-N761 WeakPolarHBondContact CA-ND2 3.46Å; E669-N761 HydrophobicContact CB-CB 4.02Å; E669-N761 HydrophobicContact CG-CB 4.32Å; E669-N761 PolarHBondContact OE2-ND2 2.73Å; W670-N761 CarbonylContact O-C 3.55Å; W670-N761 VanDerWaalsContact O-CA 3.25Å; W670-N761 WeakPolarHBondContact O-CA 3.48Å
762	G	86.6	Confident	80.4	Confident	11 Å²	11	46.3 Å²	46.3	11%	0.113	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	162.7	164.9	0	0	0	0	0	110.8	E669 W670	E669-G762 CarbonylContact C-O 3.54Å; E669-G762 WeakPolarHBondContact CA-O 3.39Å; W670-G762 VanDerWaalsContact CD1-C 3.42Å; W670-G762 VanDerWaalsContact CD1-O 3.29Å; W670-G762 PolarHBondContact N-O 2.85Å; W670-G762 VanDerWaalsContact NE1-C 3.29Å; W670-G762 PolarHBondContact O-N 3.43Å
763	K	86.5	Confident	79.6	Confident	158 Å²	158	47.8 Å²	47.8	69%	0.687	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.2	172.8	-65.4	-168.2	175.2	-168.2	0	110.5	T668 W670	T668-K763 CarbonylContact O-C 3.37Å; T668-K763 WeakPolarHBondContact O-CA 3.34Å; W670-K763 PolarHBondContact NE1-O 3.07Å
764	L	79.5	Confident	78.6	Confident	30 Å²	30	48.5 Å²	48.5	16%	0.157	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.5	123.9	166.4	-62.8	173.7	0	0	0	107.5	T668 W670 L692 I770	T668-L764 PolarHBondContact O-N 2.77Å; W670-L764 HydrophobicContact CB-CD2 4.25Å; W670-L764 HydrophobicContact CG-CD2 4.25Å; L692-L764 HydrophobicContact CD2-CD1 4.17Å; L764-I770 HydrophobicContact CD2-CD1 3.87Å; L764-I770 HydrophobicContact CD2-CG1 3.85Å
765	N	70.2	Confident	77.8	Confident	58 Å²	58	51.8 Å²	51.8	31%	0.31	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-81.5	165.2	169	55.6	37.9	0	0	0	110.2	A767 G768 R769	N765-A767 PolarHBondContact O-N 3.45Å; N765-A767 PolarHBondContact OD1-N 2.02Å; N765-G768 PolarHBondContact O-N 3.16Å; N765-G768 PolarHBondContact OD1-N 2.68Å; N765-R769 WeakPolarHBondContact ND2-CB 3.48Å; N765-R769 PolarHBondContact ND2-O 2.73Å; N765-R769 WeakPolarHBondContact OD1-CA 3.21Å; N765-R769 WeakPolarHBondContact OD1-CB 3.27Å; N765-R769 PolarHBondContact OD1-N 3.49Å; N765-R769 PolarHBondContact OD1-O 3.15Å
766	D	57.1	Low	77.3	Confident	184 Å²	184	52.9 Å²	52.9	98%	0.984	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-11.5	-177.7	-55.2	-31.6	0	0	0	114
767	A	54.3	Low	77	Confident	37 Å²	37	53.6 Å²	53.6	31%	0.306	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.3	177.8	0	0	0	0	0	113.9	N765 R769 N1088	N765-A767 PolarHBondContact O-N 3.45Å; N765-A767 PolarHBondContact OD1-N 2.02Å; A767-R769 HydrophobicContact CB-CG 4.23Å; A767-R769 PolarHBondContact O-N 2.8Å; A767-R769 VanDerWaalsContact O-N 3.13Å; A767-N1088 WeakPolarHBondContact CB-ND2 3.47Å
768	G	57.5	Low	76.7	Confident	44 Å²	44	56.2 Å²	56.2	45%	0.454	30%	0.302	S	S	.	.			trans	67.2	6.1	-173.5	0	0	0	0	0	114.6	N765	N765-G768 PolarHBondContact O-N 3.16Å; N765-G768 PolarHBondContact OD1-N 2.68Å
769	R	62.3	Low	76.7	Confident	123 Å²	123	61.1 Å²	61.1	46%	0.464	32%	0.321	S	S	.	.			trans	-74.2	131.3	177.6	-69.9	-179.2	179.6	173.3	0.2	109.8	N765 A767	N765-R769 WeakPolarHBondContact ND2-CB 3.48Å; N765-R769 PolarHBondContact ND2-O 2.73Å; N765-R769 WeakPolarHBondContact OD1-CA 3.21Å; N765-R769 WeakPolarHBondContact OD1-CB 3.27Å; N765-R769 PolarHBondContact OD1-N 3.49Å; N765-R769 PolarHBondContact OD1-O 3.15Å; A767-R769 HydrophobicContact CB-CG 4.23Å; A767-R769 PolarHBondContact O-N 2.8Å; A767-R769 VanDerWaalsContact O-N 3.13Å
770	I	74	Confident	76.7	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.321	C	S	.	.			trans	-102.6	123.3	179.1	-72.6	-176.4	0	0	0	109.1	W670 V688 R702 L764 M772	W670-I770 HydrophobicContact CB-CD1 4.28Å; W670-I770 HydrophobicContact CD2-CD1 3.99Å; W670-I770 HydrophobicContact CD2-CG1 4.32Å; W670-I770 HydrophobicContact CD2-CG2 3.67Å; W670-I770 HydrophobicContact CE3-CD1 4.46Å; W670-I770 HydrophobicContact CE3-CG2 3.93Å; W670-I770 HydrophobicContact CG-CD1 3.85Å; W670-I770 HydrophobicContact CG-CG1 4.24Å; W670-I770 HydrophobicContact CG-CG2 4.45Å; W670-I770 HydrophobicContact CH2-CG2 3.59Å; W670-I770 HydrophobicContact CZ2-CG2 3.29Å; W670-I770 HydrophobicContact CZ3-CG2 3.89Å; V688-I770 HydrophobicContact CG1-CD1 3.42Å; V688-I770 VanDerWaalsContact CG1-CD1 3.42Å; R702-I770 VanDerWaalsContact CZ-CD1 3.49Å; R702-I770 VanDerWaalsContact NH1-CD1 3.31Å; L764-I770 HydrophobicContact CD2-CD1 3.87Å; L764-I770 HydrophobicContact CD2-CG1 3.85Å; I770-M772 HydrophobicContact CG2-CE 4.33Å; I770-M772 HydrophobicContact CG2-CG 4.14Å
771	I	72.9	Confident	76.6	Confident	103 Å²	103	63.6 Å²	63.6	53%	0.528	33%	0.332	S	S	.	.			trans	-101.3	106.6	176.6	-57	175	0	0	0	108.2	W670 R708	W670-I771 WeakPolarHBondContact CZ2-O 3.26Å; R708-I771 WeakPolarHBondContact O-CA 3.26Å
772	M	73.6	Confident	76.5	Confident	9 Å²	9	62.7 Å²	62.7	4%	0.044	33%	0.329	C	S	.	.			trans	-82.5	119.3	176.5	-59.2	-174.1	175.7	0	0	109.6	W670 I681 V686 V688 T704 I770	W670-M772 HydrophobicContact CH2-CB 4.35Å; W670-M772 HydrophobicContact CH2-CG 3.75Å; W670-M772 HydrophobicContact CZ2-CG 4.48Å; W670-M772 HydrophobicContact CZ3-CG 4.38Å; I681-M772 HydrophobicContact CD1-CB 3.59Å; I681-M772 HydrophobicContact CD1-CG 4.38Å; I681-M772 HydrophobicContact CD1-SD 4Å; I681-M772 HydrophobicContact CG1-SD 4.38Å; V686-M772 HydrophobicContact CB-CE 4.13Å; V686-M772 HydrophobicContact CG1-CE 3.59Å; V686-M772 HydrophobicContact CG1-SD 4.3Å; V686-M772 HydrophobicContact CG2-CE 4.49Å; V688-M772 HydrophobicContact CG2-CE 3.58Å; T704-M772 HydrophobicContact CG2-CE 4.19Å; T704-M772 HydrophobicContact CG2-SD 3.55Å; T704-M772 VanDerWaalsContact CG2-SD 3.55Å; I770-M772 HydrophobicContact CG2-CE 4.33Å; I770-M772 HydrophobicContact CG2-CG 4.14Å
773	D	73.2	Confident	76.5	Confident	67 Å²	67	63.8 Å²	63.8	36%	0.358	33%	0.332	S	S	.	.			trans	-100.9	112	172.1	171.8	11.4	0	0	0	108	S775 N776	D773-S775 PolarHBondContact O-N 3.14Å; D773-S775 VanDerWaalsContact O-N 3.14Å; D773-S775 VanDerWaalsContact OD1-CB 3.24Å; D773-S775 WeakPolarHBondContact OD1-CB 3.43Å; D773-S775 PolarHBondContact OD1-N 2.69Å; D773-S775 PolarHBondContact OD1-OG 2.84Å; D773-S775 VanDerWaalsContact OD1-OG 3.12Å; D773-S775 PolarHBondContact OD2-OG 2.83Å; D773-N776 WeakPolarHBondContact O-CA 3.41Å; D773-N776 VanDerWaalsContact O-CB 3.28Å; D773-N776 WeakPolarHBondContact O-CB 3.4Å; D773-N776 PolarHBondContact O-N 3.46Å; D773-N776 PolarHBondContact OD2-ND2 3.06Å
774	S	71.9	Confident	76.8	Confident	15 Å²	15	56.4 Å²	56.4	11%	0.105	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-72.9	-3.7	-178.1	130.7	0	0	0	0	114.6	N776 V777 N910	S774-N776 PolarHBondContact O-N 3.49Å; S774-V777 PolarHBondContact O-N 2.78Å; S774-V777 VanDerWaalsContact O-N 3.15Å; S774-N910 WeakPolarHBondContact CA-ND2 3.04Å; S774-N910 VanDerWaalsContact CB-CB 3.47Å; S774-N910 WeakPolarHBondContact CB-ND2 2.95Å; S774-N910 WeakPolarHBondContact CB-OD1 3.48Å; S774-N910 PolarHBondContact N-ND2 2.93Å; S774-N910 VanDerWaalsContact OG-CB 3.3Å; S774-N910 WeakPolarHBondContact OG-CB 3.32Å; S774-N910 PolarHBondContact OG-ND2 2.95Å; S774-N910 PolarHBondContact OG-OD1 2.94Å
775	S	77.4	Confident	77.4	Confident	80 Å²	80	55 Å²	55	56%	0.559	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-61.2	-20.8	160.8	90.7	0	0	0	0	112.6	D773	D773-S775 PolarHBondContact O-N 3.14Å; D773-S775 VanDerWaalsContact O-N 3.14Å; D773-S775 VanDerWaalsContact OD1-CB 3.24Å; D773-S775 WeakPolarHBondContact OD1-CB 3.43Å; D773-S775 PolarHBondContact OD1-N 2.69Å; D773-S775 PolarHBondContact OD1-OG 2.84Å; D773-S775 VanDerWaalsContact OD1-OG 3.12Å; D773-S775 PolarHBondContact OD2-OG 2.83Å
776	N	84.7	Confident	78.3	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.118	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-99.1	2.7	178.1	-58.3	-33.8	0	0	0	113.5	H758 I759 K760 D773 S774	H758-N776 CarbonylContact C-O 3.58Å; H758-N776 WeakPolarHBondContact CA-O 3.42Å; I759-N776 WeakPolarHBondContact CG1-O 3.23Å; I759-N776 PolarHBondContact N-O 3.01Å; K760-N776 HydrophobicContact CB-CB 3.98Å; K760-N776 HydrophobicContact CD-CB 4.31Å; K760-N776 WeakPolarHBondContact CD-OD1 3.2Å; D773-N776 WeakPolarHBondContact O-CA 3.41Å; D773-N776 VanDerWaalsContact O-CB 3.28Å; D773-N776 WeakPolarHBondContact O-CB 3.4Å; D773-N776 PolarHBondContact O-N 3.46Å; D773-N776 PolarHBondContact OD2-ND2 3.06Å; S774-N776 PolarHBondContact O-N 3.49Å
777	V	86.7	Confident	79.7	Confident	23 Å²	23	44.3 Å²	44.3	14%	0.139	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.4	-179.1	176.5	0	0	0	0	110.4	I681 L756 Y757 H758 S774	I681-V777 HydrophobicContact CD1-CG2 3.86Å; L756-V777 HydrophobicContact CB-CG1 3.74Å; L756-V777 HydrophobicContact CD2-CG1 4.21Å; L756-V777 HydrophobicContact CG-CG1 4.39Å; Y757-V777 CarbonylContact O-C 3.49Å; Y757-V777 WeakPolarHBondContact O-CA 3.33Å; H758-V777 HydrophobicContact CB-CG2 4.43Å; S774-V777 PolarHBondContact O-N 2.78Å; S774-V777 VanDerWaalsContact O-N 3.15Å
778	M	88.8	Confident	81.2	Confident	59 Å²	59	47.9 Å²	47.9	29%	0.291	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.1	168.6	-75.5	-169.4	68.9	0	0	109.9	F633 F635 Y757 I759	F633-M778 HydrophobicContact CE2-CE 4.27Å; F633-M778 HydrophobicContact CZ-CB 4.12Å; F633-M778 HydrophobicContact CZ-CE 4.19Å; F633-M778 HydrophobicContact CZ-SD 3.89Å; F635-M778 HydrophobicContact CD2-SD 3.66Å; F635-M778 HydrophobicContact CE2-SD 3.83Å; Y757-M778 HydrophobicContact CD2-CB 4.48Å; Y757-M778 WeakPolarHBondContact CD2-O 3.48Å; Y757-M778 PolarHBondContact N-O 3.4Å; Y757-M778 PolarHBondContact O-N 2.92Å; I759-M778 HydrophobicContact CD1-CG 3.72Å; I759-M778 HydrophobicContact CD1-SD 3.73Å; I759-M778 HydrophobicContact CG1-CG 4.13Å; I759-M778 HydrophobicContact CG2-CB 4.32Å; I759-M778 HydrophobicContact CG2-CG 4.22Å; I759-M778 HydrophobicContact CG2-SD 4.18Å
779	R	90.1	Very high	82.5	Confident	107 Å²	107	46.6 Å²	46.6	40%	0.404	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.8	172.3	-175.1	-175.6	63.2	-167.4	-3.9	110.4	Y754 F755 L756	Y754-R779 VanDerWaalsContact CD1-CD 3.42Å; Y754-R779 HydrophobicContact CD1-CG 3.49Å; Y754-R779 VanDerWaalsContact CD1-CG 3.49Å; Y754-R779 HydrophobicContact CE1-CG 4.18Å; Y754-R779 HydrophobicContact CG-CG 3.88Å; F755-R779 CarbonylContact O-C 3.56Å; F755-R779 WeakPolarHBondContact O-CA 3.34Å; L756-R779 HydrophobicContact CD2-CB 4.1Å; L756-R779 HydrophobicContact CD2-CG 4.03Å
780	S	90.7	Very high	83.6	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.063	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-54.5	142.6	168.6	61.7	0	0	0	0	111.6	F755 S782	F755-S780 PolarHBondContact N-OG 2.85Å; F755-S780 VanDerWaalsContact N-OG 3.14Å; F755-S780 PolarHBondContact O-N 3.45Å; S780-S782 VanDerWaalsContact C-N 3.26Å; S780-S782 VanDerWaalsContact CB-O 3.28Å; S780-S782 WeakPolarHBondContact CB-O 3.34Å; S780-S782 PolarHBondContact O-N 3.43Å; S780-S782 PolarHBondContact OG-O 3.43Å
781	K	83.7	Confident	83.9	Confident	157 Å²	157	47.8 Å²	47.8	68%	0.683	24%	0.243	S	C	*	.	S	Bend	trans	-71.6	-24.6	178.9	-66.7	177.5	-173.1	163.7	0	112.2	E637	E637-K781 IonicContact OE1-NZ 3.09Å; E637-K781 PolarHBondContact OE1-NZ 2.8Å
782	S	84.7	Confident	84.3	Confident	18 Å²	18	45 Å²	45	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	156.8	177.6	50	0	0	0	0	110.1	S780 V792 D793	S780-S782 VanDerWaalsContact C-N 3.26Å; S780-S782 VanDerWaalsContact CB-O 3.28Å; S780-S782 WeakPolarHBondContact CB-O 3.34Å; S780-S782 PolarHBondContact O-N 3.43Å; S780-S782 PolarHBondContact OG-O 3.43Å; S782-V792 CarbonylContact C-O 3.54Å; S782-V792 WeakPolarHBondContact CA-O 3.31Å; S782-V792 WeakPolarHBondContact CB-O 3.33Å; S782-D793 WeakPolarHBondContact CB-OD1 3.45Å
783	L	87.9	Confident	84.4	Confident	34 Å²	34	49.5 Å²	49.5	18%	0.178	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.5	164.8	-69.4	159.2	0	0	0	108.4	C752 Y754 T791 V792 I794	C752-L783 HydrophobicContact CB-CB 4.07Å; C752-L783 HydrophobicContact CB-CD1 4.46Å; Y754-L783 HydrophobicContact CD1-CD2 4.07Å; Y754-L783 HydrophobicContact CD2-CD2 3.43Å; Y754-L783 VanDerWaalsContact CD2-CD2 3.43Å; Y754-L783 HydrophobicContact CE1-CD2 4.12Å; Y754-L783 HydrophobicContact CE1-CG 4.35Å; Y754-L783 HydrophobicContact CE2-CD2 3.48Å; Y754-L783 VanDerWaalsContact CE2-CD2 3.48Å; Y754-L783 HydrophobicContact CE2-CG 4.32Å; Y754-L783 HydrophobicContact CG-CD2 3.79Å; L783-T791 CarbonylContact O-C 3.59Å; L783-T791 VanDerWaalsContact O-CA 3.3Å; L783-T791 WeakPolarHBondContact O-CA 3.18Å; L783-V792 HydrophobicContact CB-CB 4.17Å; L783-V792 PolarHBondContact N-O 2.77Å; L783-V792 PolarHBondContact O-N 3.09Å; L783-I794 HydrophobicContact CD1-CD1 4.43Å; L783-I794 HydrophobicContact CG-CD1 4.21Å
784	I	91.5	Very high	84	Confident	4 Å²	4	49 Å²	49	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.7	176.7	-62.9	161.1	0	0	0	106.6	W650 V753 F755 L786	W650-I784 HydrophobicContact CH2-CD1 3.8Å; W650-I784 HydrophobicContact CZ2-CD1 3.57Å; W650-I784 HydrophobicContact CZ2-CG1 4.29Å; W650-I784 HydrophobicContact CZ2-CG2 4.41Å; V753-I784 PolarHBondContact N-O 2.84Å; V753-I784 PolarHBondContact O-N 2.77Å; F755-I784 HydrophobicContact CB-CD1 3.92Å; F755-I784 HydrophobicContact CD1-CB 4.19Å; F755-I784 HydrophobicContact CD1-CD1 3.73Å; F755-I784 HydrophobicContact CD2-CD1 3.58Å; F755-I784 HydrophobicContact CE1-CB 3.95Å; F755-I784 HydrophobicContact CE1-CD1 4.08Å; F755-I784 HydrophobicContact CE1-CG2 3.98Å; F755-I784 HydrophobicContact CE2-CD1 3.94Å; F755-I784 HydrophobicContact CE2-CG2 4.49Å; F755-I784 HydrophobicContact CG-CD1 3.46Å; F755-I784 VanDerWaalsContact CG-CD1 3.46Å; F755-I784 HydrophobicContact CZ-CB 4.32Å; F755-I784 HydrophobicContact CZ-CD1 4.17Å; F755-I784 HydrophobicContact CZ-CG2 3.9Å; I784-L786 HydrophobicContact CG2-CD2 3.56Å; I784-L786 HydrophobicContact CG2-CG 3.95Å
785	C	91.8	Very high	82.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	84.6	178.8	-43.9	0	0	0	0	108.5	C752 G787 Q788 C789 R790	C752-C785 HydrophobicContact CB-CB 3.96Å; C752-C785 WeakPolarHBondContact CB-SG 3.34Å; C752-C785 WeakPolarHBondContact SG-CB 3.42Å; C752-C785 CovalentContact SG-SG 2.02Å; C752-C785 PolarHBondContact SG-SG 2.88Å; C785-G787 VanDerWaalsContact C-N 3.34Å; C785-G787 PolarHBondContact O-N 3.03Å; C785-Q788 HydrophobicContact CB-CB 4.06Å; C785-Q788 CarbonylContact O-C 3.55Å; C785-Q788 PolarHBondContact O-N 3.08Å; C785-C789 WeakPolarHBondContact O-CA 3.4Å; C785-C789 PolarHBondContact O-N 2.79Å; C785-R790 WeakPolarHBondContact CA-O 3.47Å; C785-R790 HydrophobicContact CB-CG 3.93Å; C785-R790 WeakPolarHBondContact CB-O 3.37Å; C785-R790 PolarHBondContact N-O 3.26Å; C785-R790 PolarHBondContact O-N 2.9Å; C785-R790 PolarHBondContact SG-O 2.92Å
786	L	90.4	Very high	80.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-38.8	-178.1	-65.4	-171.9	0	0	0	111.6	A628 R652 V657 F659 L738 L749 F755 I784 Q788 C789	A628-L786 WeakPolarHBondContact O-CD2 2.99Å; R652-L786 VanDerWaalsContact CD-O 3.3Å; R652-L786 WeakPolarHBondContact CD-O 3.32Å; R652-L786 PolarHBondContact NH1-O 2.76Å; V657-L786 HydrophobicContact CB-CD1 4.2Å; V657-L786 HydrophobicContact CG1-CD1 3.6Å; V657-L786 HydrophobicContact CG2-CD1 3.64Å; F659-L786 HydrophobicContact CZ-CD1 4.39Å; L738-L786 HydrophobicContact CD2-CB 3.61Å; L749-L786 HydrophobicContact CB-CD1 4.35Å; L749-L786 HydrophobicContact CD1-CD1 4.26Å; F755-L786 HydrophobicContact CZ-CD1 3.99Å; F755-L786 HydrophobicContact CZ-CG 4.29Å; I784-L786 HydrophobicContact CG2-CD2 3.56Å; I784-L786 HydrophobicContact CG2-CG 3.95Å; L786-Q788 VanDerWaalsContact C-N 3.27Å; L786-Q788 PolarHBondContact O-N 3.27Å; L786-C789 PolarHBondContact O-N 3.09Å
787	G	86.3	Confident	78.4	Confident	17 Å²	17	62.4 Å²	62.4	18%	0.175	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.1	174.9	0	0	0	0	0	114.3	R652 L749 N750 C785	R652-G787 PolarHBondContact NH1-O 2.89Å; L749-G787 PolarHBondContact O-N 2.84Å; N750-G787 WeakPolarHBondContact OD1-CA 3.37Å; C785-G787 VanDerWaalsContact C-N 3.34Å; C785-G787 PolarHBondContact O-N 3.03Å
788	Q	85.7	Confident	75.7	Confident	112 Å²	112	65.1 Å²	65.1	52%	0.523	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-0.7	-179.6	-64.7	175	-5.4	0	0	113.6	C785 L786 R790	C785-Q788 HydrophobicContact CB-CB 4.06Å; C785-Q788 CarbonylContact O-C 3.55Å; C785-Q788 PolarHBondContact O-N 3.08Å; L786-Q788 VanDerWaalsContact C-N 3.27Å; L786-Q788 PolarHBondContact O-N 3.27Å; Q788-R790 VanDerWaalsContact C-N 3.28Å; Q788-R790 HydrophobicContact CB-CG 4.09Å; Q788-R790 PolarHBondContact O-N 3.2Å
789	C	84.8	Confident	73.1	Confident	17 Å²	17	68.2 Å²	68.2	12%	0.115	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	44.9	179.9	-96.9	0	0	0	0	112.7	S626 C629 C785 L786	S626-C789 VanDerWaalsContact CB-O 3.29Å; S626-C789 WeakPolarHBondContact CB-O 3.29Å; S626-C789 PolarHBondContact OG-O 3.05Å; C629-C789 HydrophobicContact CB-CB 4.23Å; C629-C789 WeakPolarHBondContact CB-SG 2.99Å; C629-C789 VanDerWaalsContact SG-CA 3.53Å; C629-C789 WeakPolarHBondContact SG-CB 3.21Å; C629-C789 CovalentContact SG-SG 2.01Å; C629-C789 PolarHBondContact SG-SG 3.26Å; C785-C789 WeakPolarHBondContact O-CA 3.4Å; C785-C789 PolarHBondContact O-N 2.79Å; L786-C789 PolarHBondContact O-N 3.09Å
790	R	85	Confident	70.4	Confident	108 Å²	108	69 Å²	69	41%	0.408	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.4	175.3	68.5	-177	-178.3	97.3	11.6	112.9	A628 C785 Q788	A628-R790 VanDerWaalsContact CB-O 3.26Å; A628-R790 WeakPolarHBondContact CB-O 3.19Å; C785-R790 WeakPolarHBondContact CA-O 3.47Å; C785-R790 HydrophobicContact CB-CG 3.93Å; C785-R790 WeakPolarHBondContact CB-O 3.37Å; C785-R790 PolarHBondContact N-O 3.26Å; C785-R790 PolarHBondContact O-N 2.9Å; C785-R790 PolarHBondContact SG-O 2.92Å; Q788-R790 VanDerWaalsContact C-N 3.28Å; Q788-R790 HydrophobicContact CB-CG 4.09Å; Q788-R790 PolarHBondContact O-N 3.2Å
791	T	80.2	Confident	67.9	Low	41 Å²	41	75.6 Å²	75.6	25%	0.252	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.3	169.3	51.5	0	0	0	0	109.2	A628 L783	A628-T791 HydrophobicContact CB-CG2 3.76Å; L783-T791 CarbonylContact O-C 3.59Å; L783-T791 VanDerWaalsContact O-CA 3.3Å; L783-T791 WeakPolarHBondContact O-CA 3.18Å
792	V	81.8	Confident	65.5	Low	45 Å²	45	77 Å²	77	27%	0.273	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	100	171.4	-170	0	0	0	0	107.6	S782 L783 I794	S782-V792 CarbonylContact C-O 3.54Å; S782-V792 WeakPolarHBondContact CA-O 3.31Å; S782-V792 WeakPolarHBondContact CB-O 3.33Å; L783-V792 HydrophobicContact CB-CB 4.17Å; L783-V792 PolarHBondContact N-O 2.77Å; L783-V792 PolarHBondContact O-N 3.09Å; V792-I794 PolarHBondContact O-N 3.02Å
793	D	74.4	Confident	63.2	Low	104 Å²	104	82.1 Å²	82.1	56%	0.556	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	121.6	172.8	-68	-30.9	0	0	0	108.9	S782 E795	S782-D793 WeakPolarHBondContact CB-OD1 3.45Å; D793-E795 HydrophobicContact CB-CG 4.23Å; D793-E795 PolarHBondContact O-N 2.76Å
794	I	64.6	Low	60.8	Low	56 Å²	56	85.8 Å²	85.8	29%	0.287	50%	0.502	S	S	.	.			trans	-86.1	68.1	171.6	-51.2	-177.5	0	0	0	105.4	Y754 L783 V792 T796	Y754-I794 HydrophobicContact CE1-CD1 3.51Å; Y754-I794 VanDerWaalsContact CZ-CD1 3.45Å; Y754-I794 WeakPolarHBondContact OH-CD1 3.45Å; L783-I794 HydrophobicContact CD1-CD1 4.43Å; L783-I794 HydrophobicContact CG-CD1 4.21Å; V792-I794 PolarHBondContact O-N 3.02Å; I794-T796 PolarHBondContact O-N 2.81Å; I794-T796 VanDerWaalsContact O-N 3.14Å
795	E	48.3	Very low	58.4	Low	140 Å²	140	88.9 Å²	88.9	65%	0.654	53%	0.534	S	S	*	.			trans	-58.7	123	176	-82.1	-164.2	157.8	0	0	108.4	D793 T797	D793-E795 HydrophobicContact CB-CG 4.23Å; D793-E795 PolarHBondContact O-N 2.76Å; E795-T797 PolarHBondContact O-N 2.94Å; E795-T797 PolarHBondContact O-OG1 2.75Å
796	T	37.2	Very low	55.8	Low	142 Å²	142	99.2 Å²	99.2	87%	0.871	58%	0.58	S	S	*	*			trans	-66.5	67.5	168.2	-42.7	0	0	0	0	108.6	I794 A798	I794-T796 PolarHBondContact O-N 2.81Å; I794-T796 VanDerWaalsContact O-N 3.14Å; T796-A798 PolarHBondContact O-N 2.82Å
797	T	32.4	Very low	53.3	Low	116 Å²	116	104.7 Å²	104.7	71%	0.712	62%	0.615	S	S	*	*			trans	-81	76.2	177.6	19.8	0	0	0	0	109.8	E795	E795-T797 PolarHBondContact O-N 2.94Å; E795-T797 PolarHBondContact O-OG1 2.75Å
798	A	29.1	Very low	51.1	Low	81 Å²	81	111.6 Å²	111.6	67%	0.669	65%	0.647	S	S	*	*			trans	-78.2	129.4	140.2	0	0	0	0	0	107.6	T796	T796-A798 PolarHBondContact O-N 2.82Å
799	T	35.4	Very low	48.9	Very low	124 Å²	124	111.8 Å²	111.8	76%	0.761	66%	0.658	S	S	*	*			trans	116.1	89.6	161.5	-36.9	0	0	0	0	116.6
800	T	32.1	Very low	46.7	Very low	123 Å²	123	116.4 Å²	116.4	76%	0.755	69%	0.688	S	S	*	*				39.5	111.8	123.2	-32.5	0	0	0	0	119.4
801	V	37.7	Very low	44.7	Very low	148 Å²	148	117 Å²	117	90%	0.897	71%	0.706	S	S	*	*				-170.5	144.6	122.6	167.2	0	0	0	0	109.5
802	Q	35.2	Very low	43	Very low	185 Å²	185	121.3 Å²	121.3	86%	0.864	73%	0.734	S	S	*	*			trans	-74.4	160.8	-154.9	-69.8	177.5	-12.2	0	0	118.4
803	P	35.1	Very low	41.6	Very low	126 Å²	126	121.2 Å²	121.2	82%	0.818	74%	0.743	S	S	*	*			trans	-99.7	154.6	-172.5	38.7	-31.8	0	0	0	114
804	A	38.1	Very low	41	Very low	111 Å²	111	120.4 Å²	120.4	92%	0.917	75%	0.745	S	S	*	*			trans	-131.3	105.4	165.4	0	0	0	0	0	110.7
805	G	41.4	Very low	41.6	Very low	69 Å²	69	121.9 Å²	121.9	71%	0.711	75%	0.753	S	S	*	*	S	Bend	trans	140.3	94.5	175.3	0	0	0	0	0	109.7	P807	G805-P807 WeakPolarHBondContact O-CD 3.41Å
806	K	35.9	Very low	43.2	Very low	218 Å²	218	118.5 Å²	118.5	95%	0.948	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-73.5	124	-177.9	-75.5	173.5	173.7	176.3	0	111.6
807	P	38.7	Very low	45.6	Very low	115 Å²	115	117 Å²	117	75%	0.747	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-97.1	153.4	135.5	3.9	17.2	0	0	0	109	G805	G805-P807 WeakPolarHBondContact O-CD 3.41Å
808	L	39.6	Very low	48.4	Very low	163 Å²	163	111.5 Å²	111.5	85%	0.853	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-51.7	144.6	-175.1	-83.8	87.9	0	0	0	113.2
809	P	39.8	Very low	51.3	Low	116 Å²	116	113.1 Å²	113.1	75%	0.753	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-65.9	135.6	179.3	27.3	-32.1	0	0	0	110.9
810	P	38.4	Very low	54.1	Low	113 Å²	113	107.2 Å²	107.2	73%	0.734	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-63.8	147.7	164.9	27.3	-31.2	0	0	0	109.5
811	P	43.5	Very low	56.9	Low	121 Å²	121	105.8 Å²	105.8	79%	0.786	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62.8	139.5	-174.3	25	-32.3	0	0	0	111.4
812	P	44.3	Very low	59.4	Low	132 Å²	132	98.9 Å²	98.9	86%	0.857	57%	0.572	S	S	*	*	S	Bend	trans	-77.2	131.8	-175.4	30	-32.1	0	0	0	111.8
813	G	53.1	Low	61.9	Low	43 Å²	43	91.3 Å²	91.3	44%	0.443	54%	0.537	S	S	.	.			trans	91	30.8	149.5	0	0	0	0	0	118.4	L815	G813-L815 PolarHBondContact O-N 2.94Å
814	S	61.6	Low	64.4	Low	87 Å²	87	85.3 Å²	85.3	61%	0.608	50%	0.499	S	S	*	.			trans	-65.1	124.8	166.2	57.3	0	0	0	0	109.9	K816	S814-K816 PolarHBondContact O-N 3.26Å
815	L	76.2	Confident	66.7	Low	86 Å²	86	82.9 Å²	82.9	45%	0.45	47%	0.472	S	S	.	.			trans	-59.9	132.5	162.9	-82.4	84.2	0	0	0	106.8	G813 T880 K882	G813-L815 PolarHBondContact O-N 2.94Å; L815-T880 HydrophobicContact CB-CG2 3.9Å; L815-T880 HydrophobicContact CD2-CG2 3.46Å; L815-T880 VanDerWaalsContact CD2-CG2 3.46Å; L815-T880 HydrophobicContact CG-CG2 4.18Å; L815-K882 HydrophobicContact CD1-CD 4.36Å; L815-K882 VanDerWaalsContact CD1-CE 3.44Å; L815-K882 HydrophobicContact CD1-CG 4.04Å; L815-K882 HydrophobicContact CG-CG 3.89Å
816	K	82.9	Confident	68.8	Low	69 Å²	69	83 Å²	83	30%	0.3	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.7	170.5	-69.1	180	178.2	-178.5	0	108.8	S814 Y818 T880 A881 D918	S814-K816 PolarHBondContact O-N 3.26Å; K816-Y818 HydrophobicContact CB-CE2 3.54Å; K816-Y818 VanDerWaalsContact CB-OH 3.25Å; K816-Y818 WeakPolarHBondContact CB-OH 3.46Å; K816-Y818 WeakPolarHBondContact CD-OH 3.49Å; K816-Y818 WeakPolarHBondContact O-CE2 3.06Å; K816-T880 WeakPolarHBondContact O-CA 3.44Å; K816-A881 PolarHBondContact N-O 2.9Å; K816-A881 PolarHBondContact O-N 3.43Å; K816-D918 WeakPolarHBondContact CA-OD2 3.43Å
817	R	87.7	Confident	71	Confident	111 Å²	111	73.6 Å²	73.6	42%	0.419	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.4	175.2	-67	179.4	-64	161.3	0.1	110	E878 I879 T880 L917 D918	R817-E878 WeakPolarHBondContact CD-OE1 3.29Å; R817-E878 IonicContact NH1-OE1 2.71Å; R817-I879 CarbonylContact C-O 3.6Å; R817-I879 WeakPolarHBondContact CA-O 3.11Å; R817-T880 HydrophobicContact CG-CG2 3.85Å; R817-L917 HydrophobicContact CB-CB 3.99Å; R817-L917 HydrophobicContact CB-CD1 4.18Å; R817-L917 PolarHBondContact O-N 2.78Å; R817-D918 WeakPolarHBondContact CB-OD2 3.34Å; R817-D918 IonicContact CZ-OD1 3.64Å; R817-D918 VanDerWaalsContact CZ-OD1 3.28Å; R817-D918 PolarHBondContact N-OD2 3.24Å; R817-D918 IonicContact NE-OD1 2.74Å; R817-D918 PolarHBondContact NE-OD1 2.81Å; R817-D918 IonicContact NE-OD2 3.49Å; R817-D918 IonicContact NH2-OD1 3.4Å; R817-D918 PolarHBondContact NH2-OD1 2.78Å
818	Y	90.7	Very high	73	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.9	-179.8	-54.9	-92.5	0	0	0	108.9	K816 E878 I879 A884 D885 V886 L889 I914 V915 Q916	K816-Y818 HydrophobicContact CB-CE2 3.54Å; K816-Y818 VanDerWaalsContact CB-OH 3.25Å; K816-Y818 WeakPolarHBondContact CB-OH 3.46Å; K816-Y818 WeakPolarHBondContact CD-OH 3.49Å; K816-Y818 WeakPolarHBondContact O-CE2 3.06Å; Y818-E878 CarbonylContact O-C 3.29Å; Y818-E878 WeakPolarHBondContact O-CA 3.06Å; Y818-I879 PolarHBondContact N-O 2.99Å; Y818-I879 PolarHBondContact O-N 3.03Å; Y818-A884 HydrophobicContact CE2-CB 3.84Å; Y818-A884 PolarHBondContact OH-O 3.28Å; Y818-D885 WeakPolarHBondContact OH-CA 3.33Å; Y818-V886 HydrophobicContact CD1-CG2 4.13Å; Y818-V886 HydrophobicContact CE1-CG2 4.04Å; Y818-L889 HydrophobicContact CD1-CD1 3.63Å; Y818-L889 HydrophobicContact CD2-CD1 3.69Å; Y818-L889 HydrophobicContact CE1-CD1 4.02Å; Y818-L889 HydrophobicContact CE2-CD1 4.07Å; Y818-L889 HydrophobicContact CG-CD1 3.47Å; Y818-L889 VanDerWaalsContact CG-CD1 3.47Å; Y818-I914 HydrophobicContact CD1-CG2 4.34Å; Y818-V915 CarbonylContact C-O 3.52Å; Y818-V915 WeakPolarHBondContact CA-O 3.47Å; Y818-Q916 HydrophobicContact CD1-CB 3.81Å; Y818-Q916 HydrophobicContact CD1-CG 4.02Å; Y818-Q916 HydrophobicContact CE1-CB 3.75Å; Y818-Q916 HydrophobicContact CE1-CG 3.65Å
819	R	91.2	Very high	75	Confident	115 Å²	115	62.4 Å²	62.4	43%	0.434	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.4	165.5	-178	174.8	-71.1	157.8	-2.2	108.2	M877 I914 V915 L917	R819-M877 CarbonylContact C-O 3.6Å; R819-M877 WeakPolarHBondContact CA-O 3.42Å; R819-I914 CarbonylContact O-C 3.53Å; R819-I914 VanDerWaalsContact O-CA 3.26Å; R819-I914 WeakPolarHBondContact O-CA 3.46Å; R819-V915 PolarHBondContact N-O 2.82Å; R819-V915 PolarHBondContact O-N 3.42Å; R819-L917 HydrophobicContact CB-CD1 4.23Å; R819-L917 HydrophobicContact CB-CD2 4.21Å; R819-L917 HydrophobicContact CB-CG 4.28Å
820	L	92.7	Very high	76.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.8	172.6	164.3	65.3	0	0	0	108.3	F822 V852 D876 M877 I879 I893 V912 N913 I914	L820-F822 HydrophobicContact CD1-CD1 3.98Å; L820-F822 HydrophobicContact CD2-CD1 3.9Å; L820-F822 HydrophobicContact CD2-CE1 3.76Å; L820-F822 HydrophobicContact CG-CD1 3.73Å; L820-F822 HydrophobicContact CG-CE1 4Å; L820-V852 HydrophobicContact CD2-CG1 3.88Å; L820-D876 CarbonylContact O-C 3.43Å; L820-D876 WeakPolarHBondContact O-CA 3.39Å; L820-M877 PolarHBondContact N-O 2.68Å; L820-M877 PolarHBondContact O-N 2.67Å; L820-I879 HydrophobicContact CB-CD1 3.61Å; L820-I879 HydrophobicContact CB-CG1 4.23Å; L820-I879 HydrophobicContact CD2-CD1 3.8Å; L820-I879 HydrophobicContact CG-CD1 4.29Å; L820-I893 HydrophobicContact CD1-CD1 4.04Å; L820-I893 HydrophobicContact CD1-CG2 4.49Å; L820-I893 HydrophobicContact CD2-CD1 3.87Å; L820-V912 HydrophobicContact CD1-CG1 3.74Å; L820-N913 CarbonylContact C-O 3.55Å; L820-N913 WeakPolarHBondContact CA-O 3.27Å; L820-I914 HydrophobicContact CD1-CD1 4.19Å; L820-I914 HydrophobicContact CD1-CG1 3.78Å
821	R	90.9	Very high	78.6	Confident	93 Å²	93	58.4 Å²	58.4	35%	0.351	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.5	173.6	175.2	172.4	-71.3	-178.5	-4	109.4	Q874 V875 D876 S911 V912 N913	R821-Q874 HydrophobicContact CG-CG 4.02Å; R821-V875 WeakPolarHBondContact CA-O 3.26Å; R821-D876 WeakPolarHBondContact CB-OD1 3.07Å; R821-D876 WeakPolarHBondContact CD-OD1 3.3Å; R821-D876 WeakPolarHBondContact CG-OD1 2.77Å; R821-D876 IonicContact CZ-OD1 3.78Å; R821-D876 IonicContact CZ-OD2 3.41Å; R821-D876 IonicContact NE-OD1 2.95Å; R821-D876 PolarHBondContact NE-OD1 2.59Å; R821-D876 IonicContact NE-OD2 2.87Å; R821-D876 PolarHBondContact NE-OD2 3.39Å; R821-D876 IonicContact NH2-OD1 3.84Å; R821-D876 IonicContact NH2-OD2 2.93Å; R821-D876 PolarHBondContact NH2-OD2 2.83Å; R821-S911 VanDerWaalsContact O-O 3.11Å; R821-V912 CarbonylContact O-C 3.56Å; R821-V912 WeakPolarHBondContact O-CA 3.44Å; R821-N913 HydrophobicContact CB-CB 4.32Å; R821-N913 PolarHBondContact N-O 2.75Å; R821-N913 PolarHBondContact O-N 3.14Å
822	F	91.1	Very high	80.3	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.6	173.5	60.7	-93.5	0	0	0	112	L820 V824 V852 Q874 V875 M877 I907 S911 V912	L820-F822 HydrophobicContact CD1-CD1 3.98Å; L820-F822 HydrophobicContact CD2-CD1 3.9Å; L820-F822 HydrophobicContact CD2-CE1 3.76Å; L820-F822 HydrophobicContact CG-CD1 3.73Å; L820-F822 HydrophobicContact CG-CE1 4Å; F822-V824 HydrophobicContact CD2-CG2 4.15Å; F822-V824 HydrophobicContact CE2-CG2 3.83Å; F822-V852 HydrophobicContact CE1-CG2 4.08Å; F822-V852 HydrophobicContact CZ-CG2 3.86Å; F822-Q874 CarbonylContact O-C 3.44Å; F822-Q874 WeakPolarHBondContact O-CA 3.33Å; F822-V875 HydrophobicContact CD2-CB 4.24Å; F822-V875 HydrophobicContact CD2-CG2 4.49Å; F822-V875 HydrophobicContact CE1-CB 4.37Å; F822-V875 HydrophobicContact CE1-CG1 4.32Å; F822-V875 HydrophobicContact CE2-CB 3.82Å; F822-V875 HydrophobicContact CE2-CG1 4.25Å; F822-V875 HydrophobicContact CE2-CG2 3.98Å; F822-V875 HydrophobicContact CZ-CB 3.91Å; F822-V875 HydrophobicContact CZ-CG1 3.87Å; F822-V875 HydrophobicContact CZ-CG2 4.43Å; F822-V875 PolarHBondContact N-O 2.98Å; F822-V875 PolarHBondContact O-N 3.45Å; F822-M877 HydrophobicContact CE1-CE 4.08Å; F822-M877 HydrophobicContact CE1-CG 4.35Å; F822-M877 HydrophobicContact CE1-SD 4.03Å; F822-M877 HydrophobicContact CZ-CE 3.66Å; F822-M877 HydrophobicContact CZ-SD 4.21Å; F822-I907 HydrophobicContact CB-CG2 3.82Å; F822-I907 HydrophobicContact CD1-CD1 4.46Å; F822-I907 HydrophobicContact CD2-CB 4.3Å; F822-I907 HydrophobicContact CD2-CD1 3.65Å; F822-I907 HydrophobicContact CD2-CG1 3.78Å; F822-I907 HydrophobicContact CD2-CG2 3.72Å; F822-I907 HydrophobicContact CE1-CD1 4.3Å; F822-I907 HydrophobicContact CE2-CD1 3.43Å; F822-I907 VanDerWaalsContact CE2-CD1 3.43Å; F822-I907 HydrophobicContact CE2-CG1 3.78Å; F822-I907 HydrophobicContact CG-CD1 4.16Å; F822-I907 HydrophobicContact CG-CG2 3.9Å; F822-I907 HydrophobicContact CZ-CD1 3.77Å; F822-S911 WeakPolarHBondContact CA-O 3.37Å; F822-S911 WeakPolarHBondContact CA-OG 3.21Å; F822-S911 WeakPolarHBondContact CB-OG 3.29Å; F822-V912 HydrophobicContact CB-CG2 4.22Å
823	D	87.6	Confident	81.6	Confident	26 Å²	26	53 Å²	53	14%	0.139	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.8	176.1	-65.9	-4	0	0	0	110.7	F707 H873 Q874 D908 S911	F707-D823 WeakPolarHBondContact CD2-OD2 3.19Å; D823-H873 CarbonylContact C-O 3.58Å; D823-H873 VanDerWaalsContact CA-O 3.24Å; D823-H873 WeakPolarHBondContact CA-O 3.19Å; D823-Q874 WeakPolarHBondContact OD1-CA 3.25Å; D823-Q874 WeakPolarHBondContact OD1-CB 3.49Å; D823-Q874 PolarHBondContact OD1-NE2 3.32Å; D823-D908 PolarHBondContact O-N 2.71Å; D823-S911 PolarHBondContact N-OG 2.69Å; D823-S911 PolarHBondContact O-OG 3.49Å
824	V	87.8	Confident	82.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-97.6	118.2	173.8	-178	0	0	0	0	108.7	F822 N826 M827 I829 M848 H873 V875 Y905	F822-V824 HydrophobicContact CD2-CG2 4.15Å; F822-V824 HydrophobicContact CE2-CG2 3.83Å; V824-N826 VanDerWaalsContact CG1-OD1 3.27Å; V824-N826 WeakPolarHBondContact CG1-OD1 3.16Å; V824-M827 HydrophobicContact CG1-CB 4.19Å; V824-M827 HydrophobicContact CG1-CE 4.11Å; V824-I829 HydrophobicContact CG2-CD1 4.5Å; V824-M848 HydrophobicContact CG2-CE 4.07Å; V824-H873 PolarHBondContact N-O 3.32Å; V824-V875 HydrophobicContact CG2-CG2 3.83Å; V824-Y905 HydrophobicContact CG1-CD1 4.22Å
825	T	84.9	Confident	83	Confident	59 Å²	59	57.3 Å²	57.3	36%	0.362	29%	0.286	S	S	.	.	S	Bend	trans	-88.3	-18.6	-170	58.3	0	0	0	0	114.8	D906 D908	T825-D906 PolarHBondContact N-O 3.45Å; T825-D906 VanDerWaalsContact OG1-CB 3.28Å; T825-D906 WeakPolarHBondContact OG1-CB 3.28Å; T825-D906 PolarHBondContact OG1-O 2.51Å; T825-D908 HydrophobicContact CG2-CB 3.61Å
826	N	86.9	Confident	82.7	Confident	72 Å²	72	56.3 Å²	56.3	39%	0.385	28%	0.281	S	S	.	.	S	Bend	trans	-104.4	11.7	-173.8	67.9	-16.8	0	0	0	114.1	V824 S904 D906	V824-N826 VanDerWaalsContact CG1-OD1 3.27Å; V824-N826 WeakPolarHBondContact CG1-OD1 3.16Å; N826-S904 PolarHBondContact ND2-O 2.89Å; N826-D906 HydrophobicContact CB-CB 3.96Å; N826-D906 VanDerWaalsContact CG-N 3.34Å; N826-D906 PolarHBondContact ND2-N 2.97Å; N826-D906 PolarHBondContact ND2-OD2 2.83Å; N826-D906 VanDerWaalsContact ND2-OD2 3.09Å; N826-D906 PolarHBondContact OD1-N 3.42Å
827	M	80.8	Confident	81.7	Confident	20 Å²	20	56.9 Å²	56.9	10%	0.099	29%	0.294	C	S	.	.			trans	-154.4	143.7	-177.4	-179.4	174.3	50.8	0	0	110.6	V824 I829 E832 L844 M848 H873 Y905	V824-M827 HydrophobicContact CG1-CB 4.19Å; V824-M827 HydrophobicContact CG1-CE 4.11Å; M827-I829 HydrophobicContact CE-CG1 4.04Å; M827-E832 HydrophobicContact CG-CB 4.4Å; M827-E832 HydrophobicContact CG-CG 4.38Å; M827-E832 WeakPolarHBondContact CG-OE2 3.28Å; M827-E832 HydrophobicContact SD-CB 4.17Å; M827-E832 HydrophobicContact SD-CG 3.78Å; M827-L844 HydrophobicContact SD-CD1 4.49Å; M827-M848 HydrophobicContact CE-CE 4.26Å; M827-H873 PolarHBondContact O-ND1 2.75Å; M827-Y905 HydrophobicContact CE-CD1 3.51Å; M827-Y905 HydrophobicContact CE-CE1 3.31Å; M827-Y905 HydrophobicContact SD-CE1 4.12Å
828	N	82	Confident	80.5	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.23	32%	0.315	C	S	.	.			trans	-98.8	107.3	164.7	-173	1.3	0	0	0	108.6	T830 D831 E832 D872	N828-T830 VanDerWaalsContact C-N 3.34Å; N828-T830 PolarHBondContact O-N 3.25Å; N828-T830 PolarHBondContact OD1-OG1 3.32Å; N828-D831 HydrophobicContact CB-CB 4.06Å; N828-D831 PolarHBondContact ND2-OD2 2.95Å; N828-D831 PolarHBondContact O-N 2.86Å; N828-E832 PolarHBondContact O-N 3.11Å; N828-D872 PolarHBondContact OD1-O 3.45Å
829	I	80.5	Confident	79.1	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-35.5	-170.4	-58	159.2	0	0	0	111	V824 M827 E832 L833 M848 L870 D872 V875	V824-I829 HydrophobicContact CG2-CD1 4.5Å; M827-I829 HydrophobicContact CE-CG1 4.04Å; I829-E832 PolarHBondContact O-N 3.5Å; I829-L833 HydrophobicContact CG2-CD1 3.66Å; I829-L833 HydrophobicContact CG2-CG 4.34Å; I829-L833 VanDerWaalsContact O-CB 3.28Å; I829-L833 WeakPolarHBondContact O-CB 3.3Å; I829-L833 WeakPolarHBondContact O-CD1 3.02Å; I829-L833 WeakPolarHBondContact O-CG 3Å; I829-L833 PolarHBondContact O-N 2.85Å; I829-M848 HydrophobicContact CD1-CE 4.05Å; I829-M848 HydrophobicContact CG1-CE 4.38Å; I829-L870 HydrophobicContact CD1-CD2 4.41Å; I829-L870 HydrophobicContact CG2-CB 4.11Å; I829-L870 HydrophobicContact CG2-CD1 3.91Å; I829-L870 HydrophobicContact CG2-CD2 4.28Å; I829-L870 HydrophobicContact CG2-CG 4.35Å; I829-D872 WeakPolarHBondContact CA-O 3.49Å; I829-D872 WeakPolarHBondContact CB-O 3.32Å; I829-D872 WeakPolarHBondContact CG1-O 3.28Å; I829-D872 PolarHBondContact N-O 2.87Å; I829-V875 HydrophobicContact CD1-CG2 3.44Å; I829-V875 VanDerWaalsContact CD1-CG2 3.44Å
830	T	76.4	Confident	77.8	Confident	56 Å²	56	61.9 Å²	61.9	34%	0.344	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-39.9	175.1	26	0	0	0	0	111.6	N828 S834 D872	N828-T830 VanDerWaalsContact C-N 3.34Å; N828-T830 PolarHBondContact O-N 3.25Å; N828-T830 PolarHBondContact OD1-OG1 3.32Å; T830-S834 WeakPolarHBondContact O-CB 3.49Å; T830-S834 PolarHBondContact O-N 2.85Å; T830-D872 WeakPolarHBondContact CG2-OD1 3.39Å; T830-D872 WeakPolarHBondContact OG1-CA 3.27Å; T830-D872 PolarHBondContact OG1-OD1 3.09Å
831	D	78.3	Confident	76.4	Confident	89 Å²	89	63.5 Å²	63.5	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-43.4	174.2	-68.5	-20.2	0	0	0	110.9	N828 S834 N835	N828-D831 HydrophobicContact CB-CB 4.06Å; N828-D831 PolarHBondContact ND2-OD2 2.95Å; N828-D831 PolarHBondContact O-N 2.86Å; D831-S834 PolarHBondContact O-N 2.98Å; D831-S834 PolarHBondContact O-OG 2.66Å; D831-N835 PolarHBondContact O-N 2.72Å; D831-N835 VanDerWaalsContact O-N 3.15Å; D831-N835 PolarHBondContact O-ND2 2.82Å
832	E	77.8	Confident	75.6	Confident	87 Å²	87	62.8 Å²	62.8	41%	0.407	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-47.2	176.9	-141.5	98.4	173.2	0	0	111	M827 N828 I829 S834 N835 L836 L844	M827-E832 HydrophobicContact CG-CB 4.4Å; M827-E832 HydrophobicContact CG-CG 4.38Å; M827-E832 WeakPolarHBondContact CG-OE2 3.28Å; M827-E832 HydrophobicContact SD-CB 4.17Å; M827-E832 HydrophobicContact SD-CG 3.78Å; N828-E832 PolarHBondContact O-N 3.11Å; I829-E832 PolarHBondContact O-N 3.5Å; E832-S834 VanDerWaalsContact C-N 3.32Å; E832-S834 PolarHBondContact O-N 3.41Å; E832-N835 PolarHBondContact O-N 2.81Å; E832-L836 WeakPolarHBondContact O-CD1 3.31Å; E832-L836 WeakPolarHBondContact O-CG 3.06Å; E832-L836 PolarHBondContact O-N 3Å; E832-L844 HydrophobicContact CB-CD2 4.12Å; E832-L844 HydrophobicContact CG-CD1 4.47Å; E832-L844 HydrophobicContact CG-CD2 4.23Å
833	L	73.2	Confident	74.9	Confident	51 Å²	51	67.8 Å²	67.8	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-37.1	175.8	-82.9	157.6	0	0	0	112.3	I829 N835 L836 L844 L870	I829-L833 HydrophobicContact CG2-CD1 3.66Å; I829-L833 HydrophobicContact CG2-CG 4.34Å; I829-L833 VanDerWaalsContact O-CB 3.28Å; I829-L833 WeakPolarHBondContact O-CB 3.3Å; I829-L833 WeakPolarHBondContact O-CD1 3.02Å; I829-L833 WeakPolarHBondContact O-CG 3Å; I829-L833 PolarHBondContact O-N 2.85Å; L833-N835 VanDerWaalsContact C-N 3.29Å; L833-N835 PolarHBondContact O-N 2.98Å; L833-L836 PolarHBondContact O-N 2.83Å; L833-L844 HydrophobicContact CG-CD2 4.17Å; L833-L870 HydrophobicContact CD1-CB 4.46Å; L833-L870 HydrophobicContact CD1-CD1 3.99Å
834	S	70.7	Confident	74.5	Confident	86 Å²	86	67.1 Å²	67.1	60%	0.601	37%	0.371	S	S	*	.	H	α-helix	trans	-69.5	-26.5	179.2	76.7	0	0	0	0	113.4	T830 D831 E832	T830-S834 WeakPolarHBondContact O-CB 3.49Å; T830-S834 PolarHBondContact O-N 2.85Å; D831-S834 PolarHBondContact O-N 2.98Å; D831-S834 PolarHBondContact O-OG 2.66Å; E832-S834 VanDerWaalsContact C-N 3.32Å; E832-S834 PolarHBondContact O-N 3.41Å
835	N	73.5	Confident	74.2	Confident	136 Å²	136	69.8 Å²	69.8	73%	0.727	39%	0.385	S	S	*	.	H	α-helix	trans	-90	-11	179.5	-72.3	-42	0	0	0	113.4	D831 E832 L833	D831-N835 PolarHBondContact O-N 2.72Å; D831-N835 VanDerWaalsContact O-N 3.15Å; D831-N835 PolarHBondContact O-ND2 2.82Å; E832-N835 PolarHBondContact O-N 2.81Å; L833-N835 VanDerWaalsContact C-N 3.29Å; L833-N835 PolarHBondContact O-N 2.98Å
836	L	69.2	Low	74.1	Confident	64 Å²	64	72.6 Å²	72.6	34%	0.335	39%	0.394	S	S	.	.	S	Bend	trans	-83.9	139.4	179.7	-72.9	163.9	0	0	0	110.5	E832 L833 L844	E832-L836 WeakPolarHBondContact O-CD1 3.31Å; E832-L836 WeakPolarHBondContact O-CG 3.06Å; E832-L836 PolarHBondContact O-N 3Å; L833-L836 PolarHBondContact O-N 2.83Å; L836-L844 HydrophobicContact CD1-CB 3.75Å; L836-L844 HydrophobicContact CD1-CD2 3.73Å; L836-L844 HydrophobicContact CD1-CG 4.3Å
837	S	61.8	Low	74	Confident	81 Å²	81	74 Å²	74	57%	0.566	40%	0.396	S	S	*	.			trans	-61.6	166.1	165.9	58	0	0	0	0	110.4	D839 G840	S837-D839 PolarHBondContact O-N 2.87Å; S837-G840 WeakPolarHBondContact O-CA 3.29Å; S837-G840 PolarHBondContact O-N 2.71Å
838	E	62.3	Low	74.3	Confident	187 Å²	187	73.2 Å²	73.2	87%	0.874	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-34	175	-74.9	-174.3	150.5	0	0	112.8
839	D	61.2	Low	74.6	Confident	139 Å²	139	73 Å²	73	74%	0.743	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.2	176.5	-64.2	-26.5	0	0	0	115	S837 P842	S837-D839 PolarHBondContact O-N 2.87Å; D839-P842 WeakPolarHBondContact O-CD 2.97Å
840	G	63.7	Low	74.9	Confident	5 Å²	5	79.1 Å²	79.1	5%	0.052	42%	0.417	C	S	.	.	H	α-helix	trans	-83.2	-30.7	-174.6	0	0	0	0	0	113.6	S837 E843 L844	S837-G840 WeakPolarHBondContact O-CA 3.29Å; S837-G840 PolarHBondContact O-N 2.71Å; G840-E843 WeakPolarHBondContact O-CB 3.46Å; G840-E843 PolarHBondContact O-N 3.23Å; G840-E843 VanDerWaalsContact O-N 3.12Å; G840-L844 PolarHBondContact O-N 3.11Å
841	S	64.1	Low	75.4	Confident	34 Å²	34	76.6 Å²	76.6	24%	0.238	40%	0.402	C	S	.	.	H	α-helix	trans	-60.2	-44.8	179.8	-41.5	0	0	0	0	113.2	E843 L844 L845	S841-E843 VanDerWaalsContact C-N 3.3Å; S841-E843 PolarHBondContact O-N 2.95Å; S841-L844 PolarHBondContact O-N 3.47Å; S841-L845 WeakPolarHBondContact O-CG 3.41Å; S841-L845 PolarHBondContact O-N 3.08Å; S841-L845 VanDerWaalsContact O-N 3.13Å
842	P	73	Confident	75.9	Confident	78 Å²	78	72.4 Å²	72.4	51%	0.506	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-34.9	172.7	-20	31.6	0	0	0	113.2	D839 H846	D839-P842 WeakPolarHBondContact O-CD 2.97Å; P842-H846 WeakPolarHBondContact O-CB 3.19Å; P842-H846 PolarHBondContact O-N 2.77Å
843	E	77.8	Confident	76.4	Confident	109 Å²	109	72.7 Å²	72.7	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-69.8	-39.5	-179.5	-157.6	-169.7	146.6	0	0	111.6	G840 S841 H846 K847	G840-E843 WeakPolarHBondContact O-CB 3.46Å; G840-E843 PolarHBondContact O-N 3.23Å; G840-E843 VanDerWaalsContact O-N 3.12Å; S841-E843 VanDerWaalsContact C-N 3.3Å; S841-E843 PolarHBondContact O-N 2.95Å; E843-H846 PolarHBondContact O-N 2.67Å; E843-K847 WeakPolarHBondContact O-CG 3.31Å; E843-K847 PolarHBondContact O-N 2.67Å; E843-K847 WeakPolarHBondContact OE1-CE 3.19Å; E843-K847 IonicContact OE1-NZ 3.43Å; E843-K847 PolarHBondContact OE1-NZ 3.23Å
844	L	79.1	Confident	77	Confident	13 Å²	13	75 Å²	75	7%	0.068	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-49.5	173.8	-178.9	64.9	0	0	0	111.2	M827 E832 L833 L836 G840 S841 H846 K847 M848	M827-L844 HydrophobicContact SD-CD1 4.49Å; E832-L844 HydrophobicContact CB-CD2 4.12Å; E832-L844 HydrophobicContact CG-CD1 4.47Å; E832-L844 HydrophobicContact CG-CD2 4.23Å; L833-L844 HydrophobicContact CG-CD2 4.17Å; L836-L844 HydrophobicContact CD1-CB 3.75Å; L836-L844 HydrophobicContact CD1-CD2 3.73Å; L836-L844 HydrophobicContact CD1-CG 4.3Å; G840-L844 PolarHBondContact O-N 3.11Å; S841-L844 PolarHBondContact O-N 3.47Å; L844-H846 VanDerWaalsContact C-N 3.31Å; L844-H846 PolarHBondContact O-N 3.34Å; L844-K847 WeakPolarHBondContact O-CB 3.21Å; L844-K847 PolarHBondContact O-N 2.96Å; L844-K847 VanDerWaalsContact O-N 3.14Å; L844-M848 HydrophobicContact CG-SD 4.39Å; L844-M848 WeakPolarHBondContact O-CG 3.43Å; L844-M848 PolarHBondContact O-N 2.99Å
845	L	80.4	Confident	77.8	Confident	56 Å²	56	71.8 Å²	71.8	29%	0.293	37%	0.368	S	S	.	.	H	α-helix	trans	-54.7	-47.5	176.2	-73.8	166.3	0	0	0	111.4	S841 K847 M848 E849 V867 L870	S841-L845 WeakPolarHBondContact O-CG 3.41Å; S841-L845 PolarHBondContact O-N 3.08Å; S841-L845 VanDerWaalsContact O-N 3.13Å; L845-K847 VanDerWaalsContact C-N 3.34Å; L845-K847 PolarHBondContact O-N 2.78Å; L845-M848 PolarHBondContact O-N 3.36Å; L845-E849 WeakPolarHBondContact O-CG 3.44Å; L845-E849 PolarHBondContact O-N 3.13Å; L845-V867 HydrophobicContact CD2-CB 3.79Å; L845-V867 HydrophobicContact CD2-CG1 3.57Å; L845-V867 HydrophobicContact CD2-CG2 4.14Å; L845-L870 HydrophobicContact CD2-CD1 3.44Å; L845-L870 VanDerWaalsContact CD2-CD1 3.44Å; L845-L870 HydrophobicContact CD2-CG 4.2Å; L845-L870 HydrophobicContact CG-CD1 4.36Å
846	H	84.1	Confident	78.5	Confident	117 Å²	117	65.3 Å²	65.3	54%	0.542	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-37.1	179.1	-169.9	65.1	0	0	0	113	P842 E843 L844 K850	P842-H846 WeakPolarHBondContact O-CB 3.19Å; P842-H846 PolarHBondContact O-N 2.77Å; E843-H846 PolarHBondContact O-N 2.67Å; L844-H846 VanDerWaalsContact C-N 3.31Å; L844-H846 PolarHBondContact O-N 3.34Å; H846-K850 VanDerWaalsContact O-CB 3.31Å; H846-K850 WeakPolarHBondContact O-CB 3.44Å; H846-K850 PolarHBondContact O-N 3.19Å
847	K	84.9	Confident	79	Confident	102 Å²	102	65.7 Å²	65.7	44%	0.443	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-42	174.8	-76.8	170.7	-175.5	161.5	0	111.6	E843 L844 L845 K850 A851 Y905	E843-K847 WeakPolarHBondContact O-CG 3.31Å; E843-K847 PolarHBondContact O-N 2.67Å; E843-K847 WeakPolarHBondContact OE1-CE 3.19Å; E843-K847 IonicContact OE1-NZ 3.43Å; E843-K847 PolarHBondContact OE1-NZ 3.23Å; L844-K847 WeakPolarHBondContact O-CB 3.21Å; L844-K847 PolarHBondContact O-N 2.96Å; L844-K847 VanDerWaalsContact O-N 3.14Å; L845-K847 VanDerWaalsContact C-N 3.34Å; L845-K847 PolarHBondContact O-N 2.78Å; K847-K850 PolarHBondContact O-N 3.14Å; K847-A851 PolarHBondContact O-N 3.48Å; K847-Y905 WeakPolarHBondContact CB-OH 3.41Å
848	M	85.9	Confident	79.7	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.02	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-46.1	178.2	-64.5	-179.7	92.1	0	0	111.9	V824 M827 I829 L844 L845 K850 A851 V852 L870 V875 M877 Y905	V824-M848 HydrophobicContact CG2-CE 4.07Å; M827-M848 HydrophobicContact CE-CE 4.26Å; I829-M848 HydrophobicContact CD1-CE 4.05Å; I829-M848 HydrophobicContact CG1-CE 4.38Å; L844-M848 HydrophobicContact CG-SD 4.39Å; L844-M848 WeakPolarHBondContact O-CG 3.43Å; L844-M848 PolarHBondContact O-N 2.99Å; L845-M848 PolarHBondContact O-N 3.36Å; M848-K850 VanDerWaalsContact C-N 3.28Å; M848-K850 PolarHBondContact O-N 2.78Å; M848-A851 WeakPolarHBondContact O-CB 3.33Å; M848-A851 PolarHBondContact O-N 2.95Å; M848-A851 VanDerWaalsContact O-N 3.17Å; M848-V852 PolarHBondContact O-N 3.35Å; M848-L870 HydrophobicContact CE-CD2 4.34Å; M848-L870 HydrophobicContact SD-CD2 4.18Å; M848-V875 HydrophobicContact CE-CB 4.45Å; M848-V875 HydrophobicContact CE-CG1 4.28Å; M848-V875 HydrophobicContact CE-CG2 3.34Å; M848-M877 HydrophobicContact CB-CE 4.07Å; M848-Y905 HydrophobicContact CG-CE1 4.29Å; M848-Y905 HydrophobicContact CG-CE2 3.98Å
849	E	88.2	Confident	80.6	Confident	39 Å²	39	61.3 Å²	61.3	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-43.4	174.6	-72.2	179.1	172.4	0	0	111.5	L845 A851 V852 K853 H866 V867	L845-E849 WeakPolarHBondContact O-CG 3.44Å; L845-E849 PolarHBondContact O-N 3.13Å; E849-A851 VanDerWaalsContact C-N 3.34Å; E849-A851 PolarHBondContact O-N 3.09Å; E849-V852 PolarHBondContact O-N 3.14Å; E849-K853 VanDerWaalsContact O-CB 3.25Å; E849-K853 WeakPolarHBondContact O-CB 3.5Å; E849-K853 PolarHBondContact O-N 3.16Å; E849-H866 WeakPolarHBondContact OE1-CA 3.44Å; E849-H866 IonicContact OE1-CG 2.73Å; E849-V867 HydrophobicContact CG-CG2 3.72Å; E849-V867 PolarHBondContact OE1-N 3.19Å
850	K	87.2	Confident	81.8	Confident	128 Å²	128	55.2 Å²	55.2	56%	0.557	29%	0.291	S	S	*	.	H	α-helix	trans	-63.9	-38.5	178.8	-170.2	176.3	-178.3	179.8	0	112.2	H846 K847 M848 K853 L854	H846-K850 VanDerWaalsContact O-CB 3.31Å; H846-K850 WeakPolarHBondContact O-CB 3.44Å; H846-K850 PolarHBondContact O-N 3.19Å; K847-K850 PolarHBondContact O-N 3.14Å; M848-K850 VanDerWaalsContact C-N 3.28Å; M848-K850 PolarHBondContact O-N 2.78Å; K850-K853 PolarHBondContact O-N 3.24Å; K850-L854 HydrophobicContact CG-CD1 4.46Å; K850-L854 VanDerWaalsContact O-CG 3.31Å; K850-L854 WeakPolarHBondContact O-CG 3.35Å; K850-L854 PolarHBondContact O-N 2.95Å
851	A	88.2	Confident	82.5	Confident	3 Å²	3	63.3 Å²	63.3	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-45.7	177.9	0	0	0	0	0	111.8	K847 M848 E849 Y905	K847-A851 PolarHBondContact O-N 3.48Å; M848-A851 WeakPolarHBondContact O-CB 3.33Å; M848-A851 PolarHBondContact O-N 2.95Å; M848-A851 VanDerWaalsContact O-N 3.17Å; E849-A851 VanDerWaalsContact C-N 3.34Å; E849-A851 PolarHBondContact O-N 3.09Å; A851-Y905 HydrophobicContact CB-CD2 3.75Å; A851-Y905 HydrophobicContact CB-CE2 4.04Å
852	V	87.8	Confident	83.4	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-72.3	-36.5	177.6	-176.5	0	0	0	0	111.5	L820 F822 M848 E849 L854 V855 L856 I865 M877 F902	L820-V852 HydrophobicContact CD2-CG1 3.88Å; F822-V852 HydrophobicContact CE1-CG2 4.08Å; F822-V852 HydrophobicContact CZ-CG2 3.86Å; M848-V852 PolarHBondContact O-N 3.35Å; E849-V852 PolarHBondContact O-N 3.14Å; V852-L854 VanDerWaalsContact C-N 3.33Å; V852-L854 PolarHBondContact O-N 2.02Å; V852-V855 PolarHBondContact O-N 3.47Å; V852-V855 VanDerWaalsContact O-N 3.16Å; V852-L856 HydrophobicContact CG1-CD1 4.14Å; V852-L856 HydrophobicContact CG1-CG 4.4Å; V852-L856 PolarHBondContact O-N 3.03Å; V852-I865 HydrophobicContact CB-CD1 4.12Å; V852-I865 HydrophobicContact CG1-CD1 3.92Å; V852-M877 HydrophobicContact CB-CE 4.44Å; V852-M877 HydrophobicContact CB-SD 3.91Å; V852-M877 HydrophobicContact CG1-SD 4.2Å; V852-M877 HydrophobicContact CG2-CE 3.64Å; V852-M877 HydrophobicContact CG2-SD 3.56Å; V852-M877 VanDerWaalsContact CG2-SD 3.56Å; V852-F902 HydrophobicContact CB-CD1 4.47Å; V852-F902 HydrophobicContact CB-CE1 4.24Å; V852-F902 HydrophobicContact CG1-CE1 4.23Å; V852-F902 HydrophobicContact CG2-CD1 3.95Å; V852-F902 HydrophobicContact CG2-CE1 3.95Å
853	K	88	Confident	84	Confident	92 Å²	92	62.8 Å²	62.8	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-41.6	176.6	-162.1	171.3	-174.5	172.7	0	112.4	E849 K850 V855 L856 L857 I865	E849-K853 VanDerWaalsContact O-CB 3.25Å; E849-K853 WeakPolarHBondContact O-CB 3.5Å; E849-K853 PolarHBondContact O-N 3.16Å; K850-K853 PolarHBondContact O-N 3.24Å; K853-V855 PolarHBondContact O-N 2.02Å; K853-L856 PolarHBondContact O-N 2.85Å; K853-L857 HydrophobicContact CG-CD1 4Å; K853-L857 HydrophobicContact CG-CG 4.09Å; K853-L857 WeakPolarHBondContact O-CB 3.39Å; K853-L857 WeakPolarHBondContact O-CG 3.33Å; K853-L857 PolarHBondContact O-N 2.73Å; K853-I865 HydrophobicContact CB-CD1 3.71Å; K853-I865 HydrophobicContact CG-CD1 4.16Å; K853-I865 VanDerWaalsContact N-CD1 3.32Å
854	L	87	Confident	84.4	Confident	100 Å²	100	63.7 Å²	63.7	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-36.9	177.3	-76.8	167	0	0	0	112.5	K850 V852	K850-L854 HydrophobicContact CG-CD1 4.46Å; K850-L854 VanDerWaalsContact O-CG 3.31Å; K850-L854 WeakPolarHBondContact O-CG 3.35Å; K850-L854 PolarHBondContact O-N 2.95Å; V852-L854 VanDerWaalsContact C-N 3.33Å; V852-L854 PolarHBondContact O-N 2.02Å
855	V	87.5	Confident	84.8	Confident	19 Å²	19	64 Å²	64	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-72.3	-44.5	177.4	169.3	0	0	0	0	111.2	V852 K853 V892 A896 R901 F902	V852-V855 PolarHBondContact O-N 3.47Å; V852-V855 VanDerWaalsContact O-N 3.16Å; K853-V855 PolarHBondContact O-N 2.02Å; V855-V892 HydrophobicContact CG1-CG1 3.78Å; V855-V892 WeakPolarHBondContact O-CG1 3.09Å; V855-A896 HydrophobicContact CB-CB 4.27Å; V855-A896 HydrophobicContact CG1-CB 3.37Å; V855-A896 HydrophobicContact CG2-CB 3.86Å; V855-R901 HydrophobicContact CG2-CB 4.47Å; V855-F902 HydrophobicContact CB-CD1 4.37Å; V855-F902 HydrophobicContact CB-CE1 3.76Å; V855-F902 HydrophobicContact CB-CZ 4.04Å; V855-F902 HydrophobicContact CG1-CE1 4Å; V855-F902 HydrophobicContact CG1-CZ 3.78Å; V855-F902 HydrophobicContact CG2-CD1 3.75Å; V855-F902 HydrophobicContact CG2-CD2 4.45Å; V855-F902 HydrophobicContact CG2-CE1 3.56Å; V855-F902 HydrophobicContact CG2-CE2 4.29Å; V855-F902 HydrophobicContact CG2-CG 4.2Å; V855-F902 HydrophobicContact CG2-CZ 3.86Å
856	L	86.3	Confident	85.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-71.4	-31.7	-178.8	-68.8	-178.9	0	0	0	113.7	V852 K853 G858 K859 F860 A863 I865 I879 L889 V892 I893	V852-L856 HydrophobicContact CG1-CD1 4.14Å; V852-L856 HydrophobicContact CG1-CG 4.4Å; V852-L856 PolarHBondContact O-N 3.03Å; K853-L856 PolarHBondContact O-N 2.85Å; L856-G858 PolarHBondContact O-N 3.15Å; L856-K859 PolarHBondContact O-N 2.78Å; L856-F860 HydrophobicContact CD2-CD2 4.01Å; L856-F860 HydrophobicContact CD2-CE2 4.32Å; L856-F860 PolarHBondContact O-N 2.87Å; L856-A863 HydrophobicContact CB-CB 4.33Å; L856-I865 HydrophobicContact CD1-CD1 3.67Å; L856-I865 HydrophobicContact CD1-CG1 4.14Å; L856-I879 HydrophobicContact CD1-CD1 3.78Å; L856-I879 HydrophobicContact CD1-CG1 4.13Å; L856-I879 HydrophobicContact CD1-CG2 3.94Å; L856-L889 HydrophobicContact CD2-CD2 3.81Å; L856-V892 HydrophobicContact CD2-CG1 4.06Å; L856-I893 HydrophobicContact CD2-CD1 4.05Å; L856-I893 HydrophobicContact CD2-CG1 3.97Å
857	L	81.1	Confident	85.1	Confident	72 Å²	72	62.4 Å²	62.4	38%	0.377	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.4	-179.5	-80.6	170.1	0	0	0	113.8	K853 K859	K853-L857 HydrophobicContact CG-CD1 4Å; K853-L857 HydrophobicContact CG-CG 4.09Å; K853-L857 WeakPolarHBondContact O-CB 3.39Å; K853-L857 WeakPolarHBondContact O-CG 3.33Å; K853-L857 PolarHBondContact O-N 2.73Å; L857-K859 VanDerWaalsContact C-N 3.33Å; L857-K859 PolarHBondContact O-N 2.91Å
858	G	75.2	Confident	84.8	Confident	74 Å²	74	60.3 Å²	60.3	76%	0.763	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-36.4	173.1	0	0	0	0	0	113.4	L856	L856-G858 PolarHBondContact O-N 3.15Å
859	K	82.3	Confident	84.6	Confident	102 Å²	102	62.6 Å²	62.6	44%	0.443	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-32	-175	-159.9	174.6	-178.2	-179.8	0	112.9	L856 L857 T888 V892	L856-K859 PolarHBondContact O-N 2.78Å; L857-K859 VanDerWaalsContact C-N 3.33Å; L857-K859 PolarHBondContact O-N 2.91Å; K859-T888 PolarHBondContact NZ-O 2.86Å; K859-V892 HydrophobicContact CB-CG2 3.77Å; K859-V892 HydrophobicContact CD-CG2 3.33Å; K859-V892 HydrophobicContact CG-CG2 4.2Å
860	F	86	Confident	84.2	Confident	11 Å²	11	62.7 Å²	62.7	5%	0.048	33%	0.329	C	S	.	.			trans	-121.3	83.7	-174.5	-50.2	-71.7	0	0	0	110.5	L856 D862 A863 A881 A884 L889 V892	L856-F860 HydrophobicContact CD2-CD2 4.01Å; L856-F860 HydrophobicContact CD2-CE2 4.32Å; L856-F860 PolarHBondContact O-N 2.87Å; F860-D862 PolarHBondContact O-N 3.15Å; F860-A863 HydrophobicContact CB-CB 3.89Å; F860-A863 WeakPolarHBondContact O-CB 3.29Å; F860-A863 PolarHBondContact O-N 2.78Å; F860-A863 VanDerWaalsContact O-N 3.17Å; F860-A881 HydrophobicContact CB-CB 4.42Å; F860-A884 HydrophobicContact CD1-CB 3.87Å; F860-A884 HydrophobicContact CE1-CB 3.53Å; F860-A884 HydrophobicContact CZ-CB 4.04Å; F860-L889 HydrophobicContact CD2-CD2 4.05Å; F860-L889 HydrophobicContact CE2-CD2 3.66Å; F860-L889 HydrophobicContact CE2-CG 4.3Å; F860-L889 HydrophobicContact CZ-CD2 4.18Å; F860-L889 HydrophobicContact CZ-CG 4.4Å; F860-V892 HydrophobicContact CE2-CG2 3.99Å
861	K	79.6	Confident	83.6	Confident	175 Å²	175	59.3 Å²	59.3	76%	0.761	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	-175.3	-65.8	-174.5	179.4	-178.4	0	114
862	D	82.7	Confident	83.2	Confident	98 Å²	98	63.5 Å²	63.5	52%	0.524	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	11.9	-176.5	-62	-8.8	0	0	0	112.7	F860 Q864 K882	F860-D862 PolarHBondContact O-N 3.15Å; D862-Q864 PolarHBondContact O-N 2.77Å; D862-K882 IonicContact OD2-NZ 2.67Å
863	A	84.2	Confident	83	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	36%	0.362	C	S	.	.			trans	-66.4	123.2	-177.5	0	0	0	0	0	111.6	L856 F860 T880 A881	L856-A863 HydrophobicContact CB-CB 4.33Å; F860-A863 HydrophobicContact CB-CB 3.89Å; F860-A863 WeakPolarHBondContact O-CB 3.29Å; F860-A863 PolarHBondContact O-N 2.78Å; F860-A863 VanDerWaalsContact O-N 3.17Å; A863-T880 CarbonylContact C-O 3.5Å; A863-T880 WeakPolarHBondContact CA-O 3.23Å; A863-A881 HydrophobicContact CB-CB 4.31Å
864	Q	86.6	Confident	83	Confident	128 Å²	128	65.6 Å²	65.6	60%	0.598	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	142	165.8	-60.5	-172	11.5	0	0	108.7	D862 I879 T880	D862-Q864 PolarHBondContact O-N 2.77Å; Q864-I879 CarbonylContact O-C 3.55Å; Q864-I879 WeakPolarHBondContact O-CA 3.5Å; Q864-T880 PolarHBondContact N-O 2.94Å; Q864-T880 PolarHBondContact O-N 3.18Å
865	I	88.5	Confident	83	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.8	-176.9	-50.9	170.8	0	0	0	106.5	V852 K853 L856 M877 E878 I879	V852-I865 HydrophobicContact CB-CD1 4.12Å; V852-I865 HydrophobicContact CG1-CD1 3.92Å; K853-I865 HydrophobicContact CB-CD1 3.71Å; K853-I865 HydrophobicContact CG-CD1 4.16Å; K853-I865 VanDerWaalsContact N-CD1 3.32Å; L856-I865 HydrophobicContact CD1-CD1 3.67Å; L856-I865 HydrophobicContact CD1-CG1 4.14Å; I865-M877 HydrophobicContact CG2-CB 3.99Å; I865-M877 HydrophobicContact CG2-CG 4.32Å; I865-M877 HydrophobicContact CG2-SD 3.65Å; I865-E878 VanDerWaalsContact CA-O 3.32Å; I865-E878 WeakPolarHBondContact CA-O 2.96Å; I865-I879 HydrophobicContact CG1-CG1 4.44Å
866	H	85.6	Confident	83	Confident	127 Å²	127	60.3 Å²	60.3	59%	0.588	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.2	173.1	-168	-71.1	0	0	0	108.9	E849 S868 M877 E878	E849-H866 WeakPolarHBondContact OE1-CA 3.44Å; E849-H866 IonicContact OE1-CG 2.73Å; H866-S868 PolarHBondContact O-N 2.75Å; H866-M877 CarbonylContact O-C 3.52Å; H866-M877 WeakPolarHBondContact O-CA 2.82Å; H866-E878 PolarHBondContact N-O 2.9Å; H866-E878 PolarHBondContact O-N 2.89Å
867	V	85.2	Confident	83.3	Confident	12 Å²	12	60.3 Å²	60.3	7%	0.073	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.3	172	174.2	0	0	0	0	109.1	L845 E849 L870 D876 M877	L845-V867 HydrophobicContact CD2-CB 3.79Å; L845-V867 HydrophobicContact CD2-CG1 3.57Å; L845-V867 HydrophobicContact CD2-CG2 4.14Å; E849-V867 HydrophobicContact CG-CG2 3.72Å; E849-V867 PolarHBondContact OE1-N 3.19Å; V867-L870 HydrophobicContact CG1-CD1 4.39Å; V867-L870 HydrophobicContact CG1-CD2 3.79Å; V867-L870 HydrophobicContact CG1-CG 3.79Å; V867-D876 CarbonylContact C-O 3.45Å; V867-D876 WeakPolarHBondContact CA-O 3.28Å; V867-M877 HydrophobicContact CG2-CE 3.83Å; V867-M877 HydrophobicContact CG2-CG 4.08Å; V867-M877 HydrophobicContact CG2-SD 4.48Å
868	S	77.2	Confident	83.7	Confident	59 Å²	59	59.8 Å²	59.8	41%	0.413	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-34	179.3	53.8	0	0	0	0	113.2	H866 D876	H866-S868 PolarHBondContact O-N 2.75Å; S868-D876 PolarHBondContact N-O 2.93Å; S868-D876 VanDerWaalsContact OG-C 3.24Å; S868-D876 WeakPolarHBondContact OG-CB 3.27Å; S868-D876 PolarHBondContact OG-O 2.66Å
869	S	81.8	Confident	84.4	Confident	51 Å²	51	56.2 Å²	56.2	36%	0.357	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.6	175.3	71.3	0	0	0	0	111.2	D876	S869-D876 PolarHBondContact N-O 2.68Å; S869-D876 PolarHBondContact O-N 3.04Å; S869-D876 VanDerWaalsContact OG-CB 3.27Å; S869-D876 WeakPolarHBondContact OG-CB 3.41Å; S869-D876 PolarHBondContact OG-OD2 3.16Å
870	L	80.1	Confident	84.8	Confident	42 Å²	42	52.6 Å²	52.6	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.5	174.9	-64	174.8	0	0	0	108.5	I829 L833 L845 M848 V867 Q874 V875	I829-L870 HydrophobicContact CD1-CD2 4.41Å; I829-L870 HydrophobicContact CG2-CB 4.11Å; I829-L870 HydrophobicContact CG2-CD1 3.91Å; I829-L870 HydrophobicContact CG2-CD2 4.28Å; I829-L870 HydrophobicContact CG2-CG 4.35Å; L833-L870 HydrophobicContact CD1-CB 4.46Å; L833-L870 HydrophobicContact CD1-CD1 3.99Å; L845-L870 HydrophobicContact CD2-CD1 3.44Å; L845-L870 VanDerWaalsContact CD2-CD1 3.44Å; L845-L870 HydrophobicContact CD2-CG 4.2Å; L845-L870 HydrophobicContact CG-CD1 4.36Å; M848-L870 HydrophobicContact CE-CD2 4.34Å; M848-L870 HydrophobicContact SD-CD2 4.18Å; V867-L870 HydrophobicContact CG1-CD1 4.39Å; V867-L870 HydrophobicContact CG1-CD2 3.79Å; V867-L870 HydrophobicContact CG1-CG 3.79Å; L870-Q874 WeakPolarHBondContact CA-O 3.06Å; L870-V875 HydrophobicContact CD2-CB 4.05Å; L870-V875 HydrophobicContact CD2-CG1 3.67Å; L870-V875 HydrophobicContact CD2-CG2 3.79Å
871	S	74.3	Confident	84.8	Confident	56 Å²	56	52.1 Å²	52.1	39%	0.392	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	121.7	171.2	62.4	0	0	0	0	111.3	H873 Q874	S871-H873 PolarHBondContact O-N 2.78Å; S871-Q874 PolarHBondContact N-O 3.27Å; S871-Q874 PolarHBondContact O-N 2.94Å
872	D	80.2	Confident	85	Confident	92 Å²	92	47.9 Å²	47.9	49%	0.492	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	-91.6	179.8	-59	-20.6	0	0	0	114	N828 I829 T830	N828-D872 PolarHBondContact OD1-O 3.45Å; I829-D872 WeakPolarHBondContact CA-O 3.49Å; I829-D872 WeakPolarHBondContact CB-O 3.32Å; I829-D872 WeakPolarHBondContact CG1-O 3.28Å; I829-D872 PolarHBondContact N-O 2.87Å; T830-D872 WeakPolarHBondContact CG2-OD1 3.39Å; T830-D872 WeakPolarHBondContact OG1-CA 3.27Å; T830-D872 PolarHBondContact OG1-OD1 3.09Å
873	H	83.9	Confident	85	Confident	84 Å²	84	50 Å²	50	39%	0.389	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-13.8	175.7	-58.8	-64	0	0	0	114	D823 V824 M827 S871	D823-H873 CarbonylContact C-O 3.58Å; D823-H873 VanDerWaalsContact CA-O 3.24Å; D823-H873 WeakPolarHBondContact CA-O 3.19Å; V824-H873 PolarHBondContact N-O 3.32Å; M827-H873 PolarHBondContact O-ND1 2.75Å; S871-H873 PolarHBondContact O-N 2.78Å
874	Q	87.1	Confident	84.9	Confident	53 Å²	53	50.1 Å²	50.1	25%	0.248	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140.7	-172.8	-177	164.4	87.9	0	0	113	R821 F822 D823 L870 S871	R821-Q874 HydrophobicContact CG-CG 4.02Å; F822-Q874 CarbonylContact O-C 3.44Å; F822-Q874 WeakPolarHBondContact O-CA 3.33Å; D823-Q874 WeakPolarHBondContact OD1-CA 3.25Å; D823-Q874 WeakPolarHBondContact OD1-CB 3.49Å; D823-Q874 PolarHBondContact OD1-NE2 3.32Å; L870-Q874 WeakPolarHBondContact CA-O 3.06Å; S871-Q874 PolarHBondContact N-O 3.27Å; S871-Q874 PolarHBondContact O-N 2.94Å
875	V	87.9	Confident	84.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.4	179.4	-175	0	0	0	0	108.9	R821 F822 V824 I829 M848 L870 M877	R821-V875 WeakPolarHBondContact CA-O 3.26Å; F822-V875 HydrophobicContact CD2-CB 4.24Å; F822-V875 HydrophobicContact CD2-CG2 4.49Å; F822-V875 HydrophobicContact CE1-CB 4.37Å; F822-V875 HydrophobicContact CE1-CG1 4.32Å; F822-V875 HydrophobicContact CE2-CB 3.82Å; F822-V875 HydrophobicContact CE2-CG1 4.25Å; F822-V875 HydrophobicContact CE2-CG2 3.98Å; F822-V875 HydrophobicContact CZ-CB 3.91Å; F822-V875 HydrophobicContact CZ-CG1 3.87Å; F822-V875 HydrophobicContact CZ-CG2 4.43Å; F822-V875 PolarHBondContact N-O 2.98Å; F822-V875 PolarHBondContact O-N 3.45Å; V824-V875 HydrophobicContact CG2-CG2 3.83Å; I829-V875 HydrophobicContact CD1-CG2 3.44Å; I829-V875 VanDerWaalsContact CD1-CG2 3.44Å; M848-V875 HydrophobicContact CE-CB 4.45Å; M848-V875 HydrophobicContact CE-CG1 4.28Å; M848-V875 HydrophobicContact CE-CG2 3.34Å; L870-V875 HydrophobicContact CD2-CB 4.05Å; L870-V875 HydrophobicContact CD2-CG1 3.67Å; L870-V875 HydrophobicContact CD2-CG2 3.79Å; V875-M877 HydrophobicContact CG1-CE 3.62Å; V875-M877 HydrophobicContact CG1-CG 3.97Å
876	D	88.4	Confident	84.8	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	134.3	167.2	-68.6	-24.2	0	0	0	109.9	L820 R821 V867 S868 S869	L820-D876 CarbonylContact O-C 3.43Å; L820-D876 WeakPolarHBondContact O-CA 3.39Å; R821-D876 WeakPolarHBondContact CB-OD1 3.07Å; R821-D876 WeakPolarHBondContact CD-OD1 3.3Å; R821-D876 WeakPolarHBondContact CG-OD1 2.77Å; R821-D876 IonicContact CZ-OD1 3.78Å; R821-D876 IonicContact CZ-OD2 3.41Å; R821-D876 IonicContact NE-OD1 2.95Å; R821-D876 PolarHBondContact NE-OD1 2.59Å; R821-D876 IonicContact NE-OD2 2.87Å; R821-D876 PolarHBondContact NE-OD2 3.39Å; R821-D876 IonicContact NH2-OD1 3.84Å; R821-D876 IonicContact NH2-OD2 2.93Å; R821-D876 PolarHBondContact NH2-OD2 2.83Å; V867-D876 CarbonylContact C-O 3.45Å; V867-D876 WeakPolarHBondContact CA-O 3.28Å; S868-D876 PolarHBondContact N-O 2.93Å; S868-D876 VanDerWaalsContact OG-C 3.24Å; S868-D876 WeakPolarHBondContact OG-CB 3.27Å; S868-D876 PolarHBondContact OG-O 2.66Å; S869-D876 PolarHBondContact N-O 2.68Å; S869-D876 PolarHBondContact O-N 3.04Å; S869-D876 VanDerWaalsContact OG-CB 3.27Å; S869-D876 WeakPolarHBondContact OG-CB 3.41Å; S869-D876 PolarHBondContact OG-OD2 3.16Å
877	M	91.3	Very high	84.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	142.2	175.1	-59.5	-172.2	177.8	0	0	111	R819 L820 F822 M848 V852 I865 H866 V867 V875	R819-M877 CarbonylContact C-O 3.6Å; R819-M877 WeakPolarHBondContact CA-O 3.42Å; L820-M877 PolarHBondContact N-O 2.68Å; L820-M877 PolarHBondContact O-N 2.67Å; F822-M877 HydrophobicContact CE1-CE 4.08Å; F822-M877 HydrophobicContact CE1-CG 4.35Å; F822-M877 HydrophobicContact CE1-SD 4.03Å; F822-M877 HydrophobicContact CZ-CE 3.66Å; F822-M877 HydrophobicContact CZ-SD 4.21Å; M848-M877 HydrophobicContact CB-CE 4.07Å; V852-M877 HydrophobicContact CB-CE 4.44Å; V852-M877 HydrophobicContact CB-SD 3.91Å; V852-M877 HydrophobicContact CG1-SD 4.2Å; V852-M877 HydrophobicContact CG2-CE 3.64Å; V852-M877 HydrophobicContact CG2-SD 3.56Å; V852-M877 VanDerWaalsContact CG2-SD 3.56Å; I865-M877 HydrophobicContact CG2-CB 3.99Å; I865-M877 HydrophobicContact CG2-CG 4.32Å; I865-M877 HydrophobicContact CG2-SD 3.65Å; H866-M877 CarbonylContact O-C 3.52Å; H866-M877 WeakPolarHBondContact O-CA 2.82Å; V867-M877 HydrophobicContact CG2-CE 3.83Å; V867-M877 HydrophobicContact CG2-CG 4.08Å; V867-M877 HydrophobicContact CG2-SD 4.48Å; V875-M877 HydrophobicContact CG1-CE 3.62Å; V875-M877 HydrophobicContact CG1-CG 3.97Å
878	E	90	Very high	84.8	Confident	60 Å²	60	45.7 Å²	45.7	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.7	168.1	-170	171.2	169.6	0	0	109.4	R817 Y818 I865 H866 L917	R817-E878 WeakPolarHBondContact CD-OE1 3.29Å; R817-E878 IonicContact NH1-OE1 2.71Å; Y818-E878 CarbonylContact O-C 3.29Å; Y818-E878 WeakPolarHBondContact O-CA 3.06Å; I865-E878 VanDerWaalsContact CA-O 3.32Å; I865-E878 WeakPolarHBondContact CA-O 2.96Å; H866-E878 PolarHBondContact N-O 2.9Å; H866-E878 PolarHBondContact O-N 2.89Å; E878-L917 HydrophobicContact CG-CD1 3.85Å
879	I	90.7	Very high	85.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.5	176.8	-56.4	165.9	0	0	0	108.3	R817 Y818 L820 L856 Q864 I865 A881 L889 I893	R817-I879 CarbonylContact C-O 3.6Å; R817-I879 WeakPolarHBondContact CA-O 3.11Å; Y818-I879 PolarHBondContact N-O 2.99Å; Y818-I879 PolarHBondContact O-N 3.03Å; L820-I879 HydrophobicContact CB-CD1 3.61Å; L820-I879 HydrophobicContact CB-CG1 4.23Å; L820-I879 HydrophobicContact CD2-CD1 3.8Å; L820-I879 HydrophobicContact CG-CD1 4.29Å; L856-I879 HydrophobicContact CD1-CD1 3.78Å; L856-I879 HydrophobicContact CD1-CG1 4.13Å; L856-I879 HydrophobicContact CD1-CG2 3.94Å; Q864-I879 CarbonylContact O-C 3.55Å; Q864-I879 WeakPolarHBondContact O-CA 3.5Å; I865-I879 HydrophobicContact CG1-CG1 4.44Å; I879-A881 HydrophobicContact CG2-CB 4.29Å; I879-L889 HydrophobicContact CD1-CD2 4.4Å; I879-L889 HydrophobicContact CG2-CD2 4.49Å; I879-I893 HydrophobicContact CD1-CD1 4.38Å
880	T	89.6	Confident	85.8	Confident	25 Å²	25	41.1 Å²	41.1	15%	0.153	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117.2	168.3	-44.8	0	0	0	0	108.9	L815 K816 R817 A863 Q864	L815-T880 HydrophobicContact CB-CG2 3.9Å; L815-T880 HydrophobicContact CD2-CG2 3.46Å; L815-T880 VanDerWaalsContact CD2-CG2 3.46Å; L815-T880 HydrophobicContact CG-CG2 4.18Å; K816-T880 WeakPolarHBondContact O-CA 3.44Å; R817-T880 HydrophobicContact CG-CG2 3.85Å; A863-T880 CarbonylContact C-O 3.5Å; A863-T880 WeakPolarHBondContact CA-O 3.23Å; Q864-T880 PolarHBondContact N-O 2.94Å; Q864-T880 PolarHBondContact O-N 3.18Å
881	A	86.5	Confident	86.1	Confident	1 Å²	1	43 Å²	43	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.8	-177.6	0	0	0	0	0	111.9	K816 F860 A863 I879 A884	K816-A881 PolarHBondContact N-O 2.9Å; K816-A881 PolarHBondContact O-N 3.43Å; F860-A881 HydrophobicContact CB-CB 4.42Å; A863-A881 HydrophobicContact CB-CB 4.31Å; I879-A881 HydrophobicContact CG2-CB 4.29Å; A881-A884 HydrophobicContact CB-CB 3.67Å
882	K	84.3	Confident	86.9	Confident	86 Å²	86	41.5 Å²	41.5	37%	0.374	21%	0.213	S	C	.	.	S	Bend	trans	-86.7	144.2	168	-67.6	-179.4	-175.3	165.3	0	109.4	L815 D862 A884	L815-K882 HydrophobicContact CD1-CD 4.36Å; L815-K882 VanDerWaalsContact CD1-CE 3.44Å; L815-K882 HydrophobicContact CD1-CG 4.04Å; L815-K882 HydrophobicContact CG-CG 3.89Å; D862-K882 IonicContact OD2-NZ 2.67Å; K882-A884 PolarHBondContact O-N 2.85Å; K882-A884 VanDerWaalsContact O-N 3.12Å
883	N	80.8	Confident	87.4	Confident	144 Å²	144	37.1 Å²	37.1	77%	0.77	19%	0.19	S	C	*	.	S	Bend	trans	55.3	27.5	177.2	-51.5	-28.8	0	0	0	113.5
884	A	83.8	Confident	87.5	Confident	4 Å²	4	34.5 Å²	34.5	3%	0.033	18%	0.179	C	C	.	.			trans	-96	159.6	167.9	0	0	0	0	0	109.8	Y818 F860 A881 K882 L889	Y818-A884 HydrophobicContact CE2-CB 3.84Å; Y818-A884 PolarHBondContact OH-O 3.28Å; F860-A884 HydrophobicContact CD1-CB 3.87Å; F860-A884 HydrophobicContact CE1-CB 3.53Å; F860-A884 HydrophobicContact CZ-CB 4.04Å; A881-A884 HydrophobicContact CB-CB 3.67Å; K882-A884 PolarHBondContact O-N 2.85Å; K882-A884 VanDerWaalsContact O-N 3.12Å; A884-L889 HydrophobicContact CB-CD1 4.49Å; A884-L889 HydrophobicContact CB-CG 4.32Å
885	D	85.6	Confident	87.4	Confident	67 Å²	67	34.5 Å²	34.5	36%	0.358	18%	0.183	S	C	.	.			trans	-143	170.9	162.8	58.5	47.4	0	0	0	107.5	Y818 Q887 T888 L889	Y818-D885 WeakPolarHBondContact OH-CA 3.33Å; D885-Q887 VanDerWaalsContact C-N 3.27Å; D885-Q887 PolarHBondContact O-N 3.21Å; D885-Q887 PolarHBondContact OD1-N 3.06Å; D885-Q887 VanDerWaalsContact OD1-N 3.15Å; D885-T888 VanDerWaalsContact CG-OG1 3.3Å; D885-T888 PolarHBondContact N-OG1 3.28Å; D885-T888 PolarHBondContact O-N 3.09Å; D885-T888 PolarHBondContact O-OG1 2.91Å; D885-T888 WeakPolarHBondContact OD1-CB 3.45Å; D885-T888 VanDerWaalsContact OD1-CG2 3.26Å; D885-T888 WeakPolarHBondContact OD1-CG2 3.36Å; D885-T888 PolarHBondContact OD1-N 3.12Å; D885-T888 PolarHBondContact OD1-OG1 3.32Å; D885-L889 WeakPolarHBondContact O-CG 3.05Å; D885-L889 PolarHBondContact O-N 2.88Å; D885-L889 VanDerWaalsContact O-N 3.15Å
886	V	85.6	Confident	87.4	Confident	42 Å²	42	34.8 Å²	34.8	26%	0.255	19%	0.186	S	C	.	.	H	α-helix	trans	-58.8	-41.8	-176.3	174.8	0	0	0	0	111.2	Y818 L889 Y890 I914 Q916	Y818-V886 HydrophobicContact CD1-CG2 4.13Å; Y818-V886 HydrophobicContact CE1-CG2 4.04Å; V886-L889 PolarHBondContact O-N 3.31Å; V886-Y890 HydrophobicContact CG1-CD2 3.72Å; V886-Y890 HydrophobicContact CG1-CE2 3.41Å; V886-Y890 VanDerWaalsContact CG1-CE2 3.41Å; V886-Y890 WeakPolarHBondContact O-CD2 3.27Å; V886-Y890 PolarHBondContact O-N 2.94Å; V886-Y890 VanDerWaalsContact O-N 3.1Å; V886-I914 HydrophobicContact CG1-CB 4.36Å; V886-I914 HydrophobicContact CG1-CG2 4.45Å; V886-Q916 HydrophobicContact CG2-CB 4.03Å
887	Q	83	Confident	87.3	Confident	58 Å²	58	34.4 Å²	34.4	27%	0.271	18%	0.184	S	C	.	.	H	α-helix	trans	-65.2	-47.8	-178.5	-169.3	68.3	14.7	0	0	111.7	D885 L889 Y890 D891	D885-Q887 VanDerWaalsContact C-N 3.27Å; D885-Q887 PolarHBondContact O-N 3.21Å; D885-Q887 PolarHBondContact OD1-N 3.06Å; D885-Q887 VanDerWaalsContact OD1-N 3.15Å; Q887-L889 PolarHBondContact O-N 3.49Å; Q887-Y890 WeakPolarHBondContact O-CB 3.16Å; Q887-Y890 PolarHBondContact O-N 3.26Å; Q887-Y890 VanDerWaalsContact O-N 3.14Å; Q887-D891 VanDerWaalsContact O-CG 3.23Å; Q887-D891 PolarHBondContact O-N 2.75Å
888	T	88.5	Confident	87	Confident	27 Å²	27	42 Å²	42	17%	0.166	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-26.4	-178.6	53.2	0	0	0	0	112.8	K859 D885 V892	K859-T888 PolarHBondContact NZ-O 2.86Å; D885-T888 VanDerWaalsContact CG-OG1 3.3Å; D885-T888 PolarHBondContact N-OG1 3.28Å; D885-T888 PolarHBondContact O-N 3.09Å; D885-T888 PolarHBondContact O-OG1 2.91Å; D885-T888 WeakPolarHBondContact OD1-CB 3.45Å; D885-T888 VanDerWaalsContact OD1-CG2 3.26Å; D885-T888 WeakPolarHBondContact OD1-CG2 3.36Å; D885-T888 PolarHBondContact OD1-N 3.12Å; D885-T888 PolarHBondContact OD1-OG1 3.32Å; T888-V892 WeakPolarHBondContact O-CG2 3.37Å
889	L	90.4	Very high	86.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-73.2	-45.6	170.2	-72.4	167	0	0	0	111.6	Y818 L856 F860 I879 A884 D885 V886 Q887 D891 V892 I893 I914	Y818-L889 HydrophobicContact CD1-CD1 3.63Å; Y818-L889 HydrophobicContact CD2-CD1 3.69Å; Y818-L889 HydrophobicContact CE1-CD1 4.02Å; Y818-L889 HydrophobicContact CE2-CD1 4.07Å; Y818-L889 HydrophobicContact CG-CD1 3.47Å; Y818-L889 VanDerWaalsContact CG-CD1 3.47Å; L856-L889 HydrophobicContact CD2-CD2 3.81Å; F860-L889 HydrophobicContact CD2-CD2 4.05Å; F860-L889 HydrophobicContact CE2-CD2 3.66Å; F860-L889 HydrophobicContact CE2-CG 4.3Å; F860-L889 HydrophobicContact CZ-CD2 4.18Å; F860-L889 HydrophobicContact CZ-CG 4.4Å; I879-L889 HydrophobicContact CD1-CD2 4.4Å; I879-L889 HydrophobicContact CG2-CD2 4.49Å; A884-L889 HydrophobicContact CB-CD1 4.49Å; A884-L889 HydrophobicContact CB-CG 4.32Å; D885-L889 WeakPolarHBondContact O-CG 3.05Å; D885-L889 PolarHBondContact O-N 2.88Å; D885-L889 VanDerWaalsContact O-N 3.15Å; V886-L889 PolarHBondContact O-N 3.31Å; Q887-L889 PolarHBondContact O-N 3.49Å; L889-D891 VanDerWaalsContact C-N 3.3Å; L889-D891 PolarHBondContact O-N 2.99Å; L889-V892 PolarHBondContact O-N 3.25Å; L889-V892 VanDerWaalsContact O-N 3.08Å; L889-I893 HydrophobicContact CB-CD1 4.46Å; L889-I893 WeakPolarHBondContact O-CG1 3.11Å; L889-I893 PolarHBondContact O-N 2.99Å; L889-I914 HydrophobicContact CB-CD1 3.66Å; L889-I914 HydrophobicContact CB-CG2 4.39Å; L889-I914 HydrophobicContact CD1-CG2 3.87Å
890	Y	89.5	Confident	86.4	Confident	14 Å²	14	49.9 Å²	49.9	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-42.7	173.8	-81.5	-62	0	0	0	112.1	V886 Q887 V892 I893 I894 P895 V912 I914	V886-Y890 HydrophobicContact CG1-CD2 3.72Å; V886-Y890 HydrophobicContact CG1-CE2 3.41Å; V886-Y890 VanDerWaalsContact CG1-CE2 3.41Å; V886-Y890 WeakPolarHBondContact O-CD2 3.27Å; V886-Y890 PolarHBondContact O-N 2.94Å; V886-Y890 VanDerWaalsContact O-N 3.1Å; Q887-Y890 WeakPolarHBondContact O-CB 3.16Å; Q887-Y890 PolarHBondContact O-N 3.26Å; Q887-Y890 VanDerWaalsContact O-N 3.14Å; Y890-V892 PolarHBondContact O-N 3.13Å; Y890-V892 VanDerWaalsContact O-N 3.11Å; Y890-I893 PolarHBondContact O-N 3.26Å; Y890-I894 HydrophobicContact CD1-CD1 3.73Å; Y890-I894 HydrophobicContact CD1-CG1 4.1Å; Y890-I894 HydrophobicContact CE1-CD1 4.38Å; Y890-I894 PolarHBondContact O-N 3.21Å; Y890-P895 WeakPolarHBondContact O-CD 3.22Å; Y890-V912 HydrophobicContact CD1-CG1 4.09Å; Y890-V912 HydrophobicContact CE1-CG1 3.91Å; Y890-I914 HydrophobicContact CD1-CD1 3.86Å; Y890-I914 HydrophobicContact CD1-CG1 4.2Å; Y890-I914 HydrophobicContact CD2-CD1 4.41Å; Y890-I914 HydrophobicContact CE1-CB 4.29Å; Y890-I914 HydrophobicContact CE1-CD1 4.04Å; Y890-I914 HydrophobicContact CE1-CG1 3.84Å; Y890-I914 HydrophobicContact CE2-CB 4.01Å; Y890-I914 HydrophobicContact CE2-CG1 4.39Å; Y890-I914 HydrophobicContact CG-CD1 4.06Å; Y890-I914 PolarHBondContact OH-N 2.96Å
891	D	86.7	Confident	86.1	Confident	82 Å²	82	56.5 Å²	56.5	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-19.6	177.3	-69.4	-20.1	0	0	0	113.6	Q887 L889 P895	Q887-D891 VanDerWaalsContact O-CG 3.23Å; Q887-D891 PolarHBondContact O-N 2.75Å; L889-D891 VanDerWaalsContact C-N 3.3Å; L889-D891 PolarHBondContact O-N 2.99Å; D891-P895 WeakPolarHBondContact O-CD 3.27Å; D891-P895 VanDerWaalsContact O-CG 3.3Å; D891-P895 WeakPolarHBondContact O-CG 3.26Å
892	V	90.6	Very high	86	Confident	23 Å²	23	56.5 Å²	56.5	14%	0.139	27%	0.271	C	S	.	.	H	α-helix	trans	-98.2	-45.4	177.7	174.7	0	0	0	0	110.9	V855 L856 K859 F860 T888 L889 Y890 A896	V855-V892 HydrophobicContact CG1-CG1 3.78Å; V855-V892 WeakPolarHBondContact O-CG1 3.09Å; L856-V892 HydrophobicContact CD2-CG1 4.06Å; K859-V892 HydrophobicContact CB-CG2 3.77Å; K859-V892 HydrophobicContact CD-CG2 3.33Å; K859-V892 HydrophobicContact CG-CG2 4.2Å; F860-V892 HydrophobicContact CE2-CG2 3.99Å; T888-V892 WeakPolarHBondContact O-CG2 3.37Å; L889-V892 PolarHBondContact O-N 3.25Å; L889-V892 VanDerWaalsContact O-N 3.08Å; Y890-V892 PolarHBondContact O-N 3.13Å; Y890-V892 VanDerWaalsContact O-N 3.11Å; V892-A896 WeakPolarHBondContact O-CB 3.42Å; V892-A896 PolarHBondContact O-N 2.78Å
893	I	90.9	Very high	85.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-77.1	-47.4	-171.1	-68.2	163.4	0	0	0	111.8	L820 L856 I879 L889 Y890 A896 A897 F902 V912 I914	L820-I893 HydrophobicContact CD1-CD1 4.04Å; L820-I893 HydrophobicContact CD1-CG2 4.49Å; L820-I893 HydrophobicContact CD2-CD1 3.87Å; L856-I893 HydrophobicContact CD2-CD1 4.05Å; L856-I893 HydrophobicContact CD2-CG1 3.97Å; I879-I893 HydrophobicContact CD1-CD1 4.38Å; L889-I893 HydrophobicContact CB-CD1 4.46Å; L889-I893 WeakPolarHBondContact O-CG1 3.11Å; L889-I893 PolarHBondContact O-N 2.99Å; Y890-I893 PolarHBondContact O-N 3.26Å; I893-A896 PolarHBondContact O-N 3.25Å; I893-A897 WeakPolarHBondContact O-CB 3.08Å; I893-A897 PolarHBondContact O-N 3.32Å; I893-F902 HydrophobicContact CG2-CZ 3.98Å; I893-V912 HydrophobicContact CB-CG1 4.44Å; I893-V912 HydrophobicContact CG2-CB 4.41Å; I893-V912 HydrophobicContact CG2-CG1 3.62Å; I893-V912 HydrophobicContact CG2-CG2 3.87Å; I893-I914 HydrophobicContact CD1-CD1 3.65Å
894	I	85.7	Confident	85.9	Confident	30 Å²	30	57.8 Å²	57.8	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-63.1	-46.8	-176.8	-69.3	-173.3	0	0	0	111.6	Y890 A896 A897 R898 V912	Y890-I894 HydrophobicContact CD1-CD1 3.73Å; Y890-I894 HydrophobicContact CD1-CG1 4.1Å; Y890-I894 HydrophobicContact CE1-CD1 4.38Å; Y890-I894 PolarHBondContact O-N 3.21Å; I894-A896 VanDerWaalsContact C-N 3.3Å; I894-A896 PolarHBondContact O-N 3.29Å; I894-A897 PolarHBondContact O-N 3.48Å; I894-R898 HydrophobicContact CG2-CG 4.48Å; I894-R898 WeakPolarHBondContact O-CG 3.21Å; I894-R898 PolarHBondContact O-N 2.95Å; I894-V912 HydrophobicContact CG1-CB 4.34Å; I894-V912 HydrophobicContact CG1-CG1 4.44Å
895	P	86.3	Confident	86	Confident	52 Å²	52	58.5 Å²	58.5	34%	0.338	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-36.3	175.8	-26.6	38.5	0	0	0	113.1	Y890 D891 Q899	Y890-P895 WeakPolarHBondContact O-CD 3.22Å; D891-P895 WeakPolarHBondContact O-CD 3.27Å; D891-P895 VanDerWaalsContact O-CG 3.3Å; D891-P895 WeakPolarHBondContact O-CG 3.26Å; P895-Q899 WeakPolarHBondContact O-CB 3.09Å; P895-Q899 WeakPolarHBondContact O-CG 3.06Å; P895-Q899 PolarHBondContact O-N 3.1Å; P895-Q899 VanDerWaalsContact O-N 3.12Å
896	A	88.3	Confident	86.1	Confident	7 Å²	7	57.7 Å²	57.7	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-67.3	-37.3	176.2	0	0	0	0	0	112.4	V855 V892 I893 I894 Q899 H900 R901 F902	V855-A896 HydrophobicContact CB-CB 4.27Å; V855-A896 HydrophobicContact CG1-CB 3.37Å; V855-A896 HydrophobicContact CG2-CB 3.86Å; V892-A896 WeakPolarHBondContact O-CB 3.42Å; V892-A896 PolarHBondContact O-N 2.78Å; I893-A896 PolarHBondContact O-N 3.25Å; I894-A896 VanDerWaalsContact C-N 3.3Å; I894-A896 PolarHBondContact O-N 3.29Å; A896-Q899 CarbonylContact O-C 3.58Å; A896-Q899 PolarHBondContact O-N 2.94Å; A896-H900 PolarHBondContact O-N 2.68Å; A896-R901 HydrophobicContact CB-CB 4.14Å; A896-R901 PolarHBondContact O-N 2.88Å; A896-F902 HydrophobicContact CB-CD2 4.42Å; A896-F902 HydrophobicContact CB-CE2 3.67Å; A896-F902 HydrophobicContact CB-CZ 3.99Å
897	A	86.4	Confident	86.2	Confident	1 Å²	1	56 Å²	56	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-46	177.8	0	0	0	0	0	110.3	I893 I894 Q899 H900 F902 I907 P909	I893-A897 WeakPolarHBondContact O-CB 3.08Å; I893-A897 PolarHBondContact O-N 3.32Å; I894-A897 PolarHBondContact O-N 3.48Å; A897-Q899 PolarHBondContact O-N 2.01Å; A897-Q899 VanDerWaalsContact O-N 3.15Å; A897-H900 PolarHBondContact O-N 2.81Å; A897-F902 HydrophobicContact CB-CD2 4.34Å; A897-F902 HydrophobicContact CB-CE2 3.85Å; A897-I907 HydrophobicContact CB-CB 4.14Å; A897-I907 HydrophobicContact CB-CG2 4.1Å; A897-P909 HydrophobicContact CB-CB 3.74Å
898	R	84.9	Confident	86.3	Confident	159 Å²	159	54 Å²	54	60%	0.6	25%	0.252	S	S	*	.	H	α-helix	trans	-60	-25.1	173.9	-71.2	178.6	175.5	170.1	-2.1	113.9	I894 P909	I894-R898 HydrophobicContact CG2-CG 4.48Å; I894-R898 WeakPolarHBondContact O-CG 3.21Å; I894-R898 PolarHBondContact O-N 2.95Å; R898-P909 HydrophobicContact CG-CB 3.64Å; R898-P909 HydrophobicContact CG-CG 3.88Å
899	Q	84.2	Confident	86	Confident	105 Å²	105	54.1 Å²	54.1	49%	0.491	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	7.7	179.6	-68.6	173.7	4.2	0	0	112.9	P895 A896 A897 R901	P895-Q899 WeakPolarHBondContact O-CB 3.09Å; P895-Q899 WeakPolarHBondContact O-CG 3.06Å; P895-Q899 PolarHBondContact O-N 3.1Å; P895-Q899 VanDerWaalsContact O-N 3.12Å; A896-Q899 CarbonylContact O-C 3.58Å; A896-Q899 PolarHBondContact O-N 2.94Å; A897-Q899 PolarHBondContact O-N 2.01Å; A897-Q899 VanDerWaalsContact O-N 3.15Å; Q899-R901 VanDerWaalsContact C-N 3.29Å; Q899-R901 HydrophobicContact CB-CG 3.88Å; Q899-R901 PolarHBondContact O-N 3.49Å
900	H	83.1	Confident	85.4	Confident	120 Å²	120	54.9 Å²	54.9	56%	0.556	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42	-177.5	-58.2	-83	0	0	0	113.3	A896 A897 D906	A896-H900 PolarHBondContact O-N 2.68Å; A897-H900 PolarHBondContact O-N 2.81Å; H900-D906 IonicContact CE1-OD1 3.76Å; H900-D906 IonicContact CG-OD1 3.8Å; H900-D906 IonicContact ND1-OD1 3.6Å; H900-D906 PolarHBondContact ND1-OD1 2.86Å
901	R	83.5	Confident	85.2	Confident	164 Å²	164	54.2 Å²	54.2	62%	0.619	26%	0.255	S	S	*	.			trans	-92.8	8	-174.4	-71.9	-174	173.6	179.4	3.9	115.1	V855 A896 Q899 Y903	V855-R901 HydrophobicContact CG2-CB 4.47Å; A896-R901 HydrophobicContact CB-CB 4.14Å; A896-R901 PolarHBondContact O-N 2.88Å; Q899-R901 VanDerWaalsContact C-N 3.29Å; Q899-R901 HydrophobicContact CB-CG 3.88Å; Q899-R901 PolarHBondContact O-N 3.49Å; R901-Y903 PolarHBondContact O-N 2.91Å; R901-Y903 VanDerWaalsContact O-N 3.16Å
902	F	83.6	Confident	85.3	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	24%	0.235	C	C	.	.	S	Bend	trans	-90.8	53	178.4	-69.8	-85.8	0	0	0	112	V852 V855 I893 A896 A897 S904 Y905 I907	V852-F902 HydrophobicContact CB-CD1 4.47Å; V852-F902 HydrophobicContact CB-CE1 4.24Å; V852-F902 HydrophobicContact CG1-CE1 4.23Å; V852-F902 HydrophobicContact CG2-CD1 3.95Å; V852-F902 HydrophobicContact CG2-CE1 3.95Å; V855-F902 HydrophobicContact CB-CD1 4.37Å; V855-F902 HydrophobicContact CB-CE1 3.76Å; V855-F902 HydrophobicContact CB-CZ 4.04Å; V855-F902 HydrophobicContact CG1-CE1 4Å; V855-F902 HydrophobicContact CG1-CZ 3.78Å; V855-F902 HydrophobicContact CG2-CD1 3.75Å; V855-F902 HydrophobicContact CG2-CD2 4.45Å; V855-F902 HydrophobicContact CG2-CE1 3.56Å; V855-F902 HydrophobicContact CG2-CE2 4.29Å; V855-F902 HydrophobicContact CG2-CG 4.2Å; V855-F902 HydrophobicContact CG2-CZ 3.86Å; I893-F902 HydrophobicContact CG2-CZ 3.98Å; A896-F902 HydrophobicContact CB-CD2 4.42Å; A896-F902 HydrophobicContact CB-CE2 3.67Å; A896-F902 HydrophobicContact CB-CZ 3.99Å; A897-F902 HydrophobicContact CB-CD2 4.34Å; A897-F902 HydrophobicContact CB-CE2 3.85Å; F902-S904 PolarHBondContact O-N 3.36Å; F902-S904 VanDerWaalsContact O-N 3.15Å; F902-Y905 WeakPolarHBondContact CB-O 3.21Å; F902-Y905 WeakPolarHBondContact O-CB 3.37Å; F902-Y905 WeakPolarHBondContact O-CD2 3.44Å; F902-Y905 PolarHBondContact O-N 2.92Å; F902-I907 HydrophobicContact CB-CD1 3.81Å; F902-I907 HydrophobicContact CB-CG1 3.97Å; F902-I907 HydrophobicContact CD1-CD1 3.4Å; F902-I907 HydrophobicContact CD1-CG1 4.45Å; F902-I907 HydrophobicContact CD2-CB 4.13Å; F902-I907 HydrophobicContact CD2-CD1 3.45Å; F902-I907 VanDerWaalsContact CD2-CD1 3.45Å; F902-I907 HydrophobicContact CD2-CG1 3.86Å; F902-I907 HydrophobicContact CE1-CD1 3.7Å; F902-I907 HydrophobicContact CE2-CB 4.5Å; F902-I907 HydrophobicContact CE2-CD1 3.73Å; F902-I907 HydrophobicContact CE2-CG1 4.45Å; F902-I907 HydrophobicContact CG-CD1 3.25Å; F902-I907 HydrophobicContact CG-CG1 3.85Å; F902-I907 HydrophobicContact CZ-CD1 3.87Å
903	Y	83.2	Confident	85.2	Confident	192 Å²	192	51.1 Å²	51.1	75%	0.753	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	-112	-177.3	-163	-107.6	0	0	0	112.3	R901	R901-Y903 PolarHBondContact O-N 2.91Å; R901-Y903 VanDerWaalsContact O-N 3.16Å
904	S	81	Confident	85.2	Confident	66 Å²	66	51.4 Å²	51.4	46%	0.462	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.5	177.6	59.1	0	0	0	0	113.1	N826 F902	N826-S904 PolarHBondContact ND2-O 2.89Å; F902-S904 PolarHBondContact O-N 3.36Å; F902-S904 VanDerWaalsContact O-N 3.15Å
905	Y	86.5	Confident	85.1	Confident	19 Å²	19	53.6 Å²	53.6	8%	0.075	25%	0.254	C	S	.	.			trans	-102.3	123.1	-177.3	-53.9	-65.8	0	0	0	110.5	V824 M827 K847 M848 A851 F902 I907	V824-Y905 HydrophobicContact CG1-CD1 4.22Å; M827-Y905 HydrophobicContact CE-CD1 3.51Å; M827-Y905 HydrophobicContact CE-CE1 3.31Å; M827-Y905 HydrophobicContact SD-CE1 4.12Å; K847-Y905 WeakPolarHBondContact CB-OH 3.41Å; M848-Y905 HydrophobicContact CG-CE1 4.29Å; M848-Y905 HydrophobicContact CG-CE2 3.98Å; A851-Y905 HydrophobicContact CB-CD2 3.75Å; A851-Y905 HydrophobicContact CB-CE2 4.04Å; F902-Y905 WeakPolarHBondContact CB-O 3.21Å; F902-Y905 WeakPolarHBondContact O-CB 3.37Å; F902-Y905 WeakPolarHBondContact O-CD2 3.44Å; F902-Y905 PolarHBondContact O-N 2.92Å; Y905-I907 PolarHBondContact O-N 2.77Å
906	D	87.4	Confident	85.1	Confident	50 Å²	50	52.8 Å²	52.8	27%	0.267	25%	0.246	S	C	.	.			trans	-89	90.2	174.8	-70.8	-40.3	0	0	0	108.9	T825 N826 H900 D908	T825-D906 PolarHBondContact N-O 3.45Å; T825-D906 VanDerWaalsContact OG1-CB 3.28Å; T825-D906 WeakPolarHBondContact OG1-CB 3.28Å; T825-D906 PolarHBondContact OG1-O 2.51Å; N826-D906 HydrophobicContact CB-CB 3.96Å; N826-D906 VanDerWaalsContact CG-N 3.34Å; N826-D906 PolarHBondContact ND2-N 2.97Å; N826-D906 PolarHBondContact ND2-OD2 2.83Å; N826-D906 VanDerWaalsContact ND2-OD2 3.09Å; N826-D906 PolarHBondContact OD1-N 3.42Å; H900-D906 IonicContact CE1-OD1 3.76Å; H900-D906 IonicContact CG-OD1 3.8Å; H900-D906 IonicContact ND1-OD1 3.6Å; H900-D906 PolarHBondContact ND1-OD1 2.86Å; D906-D908 PolarHBondContact O-N 3.1Å
907	I	87.4	Confident	84.7	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-70.4	125.1	173.8	-60.2	-171.2	0	0	0	108.3	F822 A897 F902 Y905 P909 V912	F822-I907 HydrophobicContact CB-CG2 3.82Å; F822-I907 HydrophobicContact CD1-CD1 4.46Å; F822-I907 HydrophobicContact CD2-CB 4.3Å; F822-I907 HydrophobicContact CD2-CD1 3.65Å; F822-I907 HydrophobicContact CD2-CG1 3.78Å; F822-I907 HydrophobicContact CD2-CG2 3.72Å; F822-I907 HydrophobicContact CE1-CD1 4.3Å; F822-I907 HydrophobicContact CE2-CD1 3.43Å; F822-I907 VanDerWaalsContact CE2-CD1 3.43Å; F822-I907 HydrophobicContact CE2-CG1 3.78Å; F822-I907 HydrophobicContact CG-CD1 4.16Å; F822-I907 HydrophobicContact CG-CG2 3.9Å; F822-I907 HydrophobicContact CZ-CD1 3.77Å; A897-I907 HydrophobicContact CB-CB 4.14Å; A897-I907 HydrophobicContact CB-CG2 4.1Å; F902-I907 HydrophobicContact CB-CD1 3.81Å; F902-I907 HydrophobicContact CB-CG1 3.97Å; F902-I907 HydrophobicContact CD1-CD1 3.4Å; F902-I907 HydrophobicContact CD1-CG1 4.45Å; F902-I907 HydrophobicContact CD2-CB 4.13Å; F902-I907 HydrophobicContact CD2-CD1 3.45Å; F902-I907 VanDerWaalsContact CD2-CD1 3.45Å; F902-I907 HydrophobicContact CD2-CG1 3.86Å; F902-I907 HydrophobicContact CE1-CD1 3.7Å; F902-I907 HydrophobicContact CE2-CB 4.5Å; F902-I907 HydrophobicContact CE2-CD1 3.73Å; F902-I907 HydrophobicContact CE2-CG1 4.45Å; F902-I907 HydrophobicContact CG-CD1 3.25Å; F902-I907 HydrophobicContact CG-CG1 3.85Å; F902-I907 HydrophobicContact CZ-CD1 3.87Å; Y905-I907 PolarHBondContact O-N 2.77Å; I907-P909 WeakPolarHBondContact O-CD 3.25Å; I907-P909 VanDerWaalsContact O-N 3.11Å; I907-V912 HydrophobicContact CG2-CG2 4.14Å
908	D	84.3	Confident	83.9	Confident	17 Å²	17	57.8 Å²	57.8	9%	0.091	27%	0.271	C	S	.	.			trans	-63.5	113	169.5	178.8	-4.9	0	0	0	107.6	F707 D823 T825 D906 N910 S911	F707-D908 WeakPolarHBondContact CB-OD2 3.31Å; D823-D908 PolarHBondContact O-N 2.71Å; T825-D908 HydrophobicContact CG2-CB 3.61Å; D906-D908 PolarHBondContact O-N 3.1Å; D908-N910 PolarHBondContact O-N 2.88Å; D908-N910 VanDerWaalsContact O-N 3.11Å; D908-N910 WeakPolarHBondContact OD1-CA 3.05Å; D908-N910 WeakPolarHBondContact OD1-CB 3.47Å; D908-N910 PolarHBondContact OD1-N 3.02Å; D908-N910 PolarHBondContact OD1-ND2 3.44Å; D908-S911 WeakPolarHBondContact O-CA 3.33Å; D908-S911 VanDerWaalsContact O-CB 3.27Å; D908-S911 WeakPolarHBondContact O-CB 3.1Å; D908-S911 PolarHBondContact O-N 3.43Å; D908-S911 PolarHBondContact O-OG 3.17Å
909	P	83.4	Confident	82.6	Confident	30 Å²	30	57.2 Å²	57.2	20%	0.195	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-62.5	-22.6	-178.1	24.8	-32.8	0	0	0	112.4	A897 R898 I907	A897-P909 HydrophobicContact CB-CB 3.74Å; R898-P909 HydrophobicContact CG-CB 3.64Å; R898-P909 HydrophobicContact CG-CG 3.88Å; I907-P909 WeakPolarHBondContact O-CD 3.25Å; I907-P909 VanDerWaalsContact O-N 3.11Å
910	N	77.9	Confident	81.2	Confident	16 Å²	16	57 Å²	57	9%	0.086	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-69.8	-34	175.6	-41.5	-22.6	0	0	0	107.9	S680 I681 F707 S774 D908 V912	S680-N910 PolarHBondContact OG-O 3.43Å; I681-N910 HydrophobicContact CG2-CB 4.13Å; F707-N910 HydrophobicContact CD1-CB 3.88Å; F707-N910 WeakPolarHBondContact CD1-O 3.42Å; F707-N910 WeakPolarHBondContact CE1-O 3.5Å; S774-N910 WeakPolarHBondContact CA-ND2 3.04Å; S774-N910 VanDerWaalsContact CB-CB 3.47Å; S774-N910 WeakPolarHBondContact CB-ND2 2.95Å; S774-N910 WeakPolarHBondContact CB-OD1 3.48Å; S774-N910 PolarHBondContact N-ND2 2.93Å; S774-N910 VanDerWaalsContact OG-CB 3.3Å; S774-N910 WeakPolarHBondContact OG-CB 3.32Å; S774-N910 PolarHBondContact OG-ND2 2.95Å; S774-N910 PolarHBondContact OG-OD1 2.94Å; D908-N910 PolarHBondContact O-N 2.88Å; D908-N910 VanDerWaalsContact O-N 3.11Å; D908-N910 WeakPolarHBondContact OD1-CA 3.05Å; D908-N910 WeakPolarHBondContact OD1-CB 3.47Å; D908-N910 PolarHBondContact OD1-N 3.02Å; D908-N910 PolarHBondContact OD1-ND2 3.44Å; N910-V912 PolarHBondContact O-N 2.75Å; N910-V912 VanDerWaalsContact O-N 3.12Å
911	S	85.3	Confident	80	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-64.6	-14.2	-171.9	77.5	0	0	0	0	118.2	F707 R821 F822 D823 D908 N913	F707-S911 VanDerWaalsContact CE2-C 3.46Å; F707-S911 WeakPolarHBondContact CE2-O 3.18Å; F707-S911 VanDerWaalsContact CG-CA 3.43Å; F707-S911 WeakPolarHBondContact CZ-O 3.45Å; R821-S911 VanDerWaalsContact O-O 3.11Å; F822-S911 WeakPolarHBondContact CA-O 3.37Å; F822-S911 WeakPolarHBondContact CA-OG 3.21Å; F822-S911 WeakPolarHBondContact CB-OG 3.29Å; D823-S911 PolarHBondContact N-OG 2.69Å; D823-S911 PolarHBondContact O-OG 3.49Å; D908-S911 WeakPolarHBondContact O-CA 3.33Å; D908-S911 VanDerWaalsContact O-CB 3.27Å; D908-S911 WeakPolarHBondContact O-CB 3.1Å; D908-S911 PolarHBondContact O-N 3.43Å; D908-S911 PolarHBondContact O-OG 3.17Å; S911-N913 PolarHBondContact O-N 2.74Å
912	V	88.6	Confident	79	Confident	1 Å²	1	49 Å²	49	1%	0.006	27%	0.266	C	S	.	.			trans	-79.4	119.6	-165.9	179.8	0	0	0	0	110.1	L820 R821 F822 Y890 I893 I894 I907 N910 I914	L820-V912 HydrophobicContact CD1-CG1 3.74Å; R821-V912 CarbonylContact O-C 3.56Å; R821-V912 WeakPolarHBondContact O-CA 3.44Å; F822-V912 HydrophobicContact CB-CG2 4.22Å; Y890-V912 HydrophobicContact CD1-CG1 4.09Å; Y890-V912 HydrophobicContact CE1-CG1 3.91Å; I893-V912 HydrophobicContact CB-CG1 4.44Å; I893-V912 HydrophobicContact CG2-CB 4.41Å; I893-V912 HydrophobicContact CG2-CG1 3.62Å; I893-V912 HydrophobicContact CG2-CG2 3.87Å; I894-V912 HydrophobicContact CG1-CB 4.34Å; I894-V912 HydrophobicContact CG1-CG1 4.44Å; I907-V912 HydrophobicContact CG2-CG2 4.14Å; N910-V912 PolarHBondContact O-N 2.75Å; N910-V912 VanDerWaalsContact O-N 3.12Å; V912-I914 HydrophobicContact CG1-CD1 4.17Å; V912-I914 HydrophobicContact CG1-CG1 4.08Å
913	N	87.3	Confident	78.3	Confident	38 Å²	38	53 Å²	53	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.3	171.2	-175	-53.1	0	0	0	109.9	L820 R821 S911 V915	L820-N913 CarbonylContact C-O 3.55Å; L820-N913 WeakPolarHBondContact CA-O 3.27Å; R821-N913 HydrophobicContact CB-CB 4.32Å; R821-N913 PolarHBondContact N-O 2.75Å; R821-N913 PolarHBondContact O-N 3.14Å; S911-N913 PolarHBondContact O-N 2.74Å; N913-V915 WeakPolarHBondContact OD1-CG2 3.47Å
914	I	90.4	Very high	77.7	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.5	-177.3	-51.2	-179.6	0	0	0	110	Y818 R819 L820 V886 L889 Y890 I893 V912	Y818-I914 HydrophobicContact CD1-CG2 4.34Å; R819-I914 CarbonylContact O-C 3.53Å; R819-I914 VanDerWaalsContact O-CA 3.26Å; R819-I914 WeakPolarHBondContact O-CA 3.46Å; L820-I914 HydrophobicContact CD1-CD1 4.19Å; L820-I914 HydrophobicContact CD1-CG1 3.78Å; V886-I914 HydrophobicContact CG1-CB 4.36Å; V886-I914 HydrophobicContact CG1-CG2 4.45Å; L889-I914 HydrophobicContact CB-CD1 3.66Å; L889-I914 HydrophobicContact CB-CG2 4.39Å; L889-I914 HydrophobicContact CD1-CG2 3.87Å; Y890-I914 HydrophobicContact CD1-CD1 3.86Å; Y890-I914 HydrophobicContact CD1-CG1 4.2Å; Y890-I914 HydrophobicContact CD2-CD1 4.41Å; Y890-I914 HydrophobicContact CE1-CB 4.29Å; Y890-I914 HydrophobicContact CE1-CD1 4.04Å; Y890-I914 HydrophobicContact CE1-CG1 3.84Å; Y890-I914 HydrophobicContact CE2-CB 4.01Å; Y890-I914 HydrophobicContact CE2-CG1 4.39Å; Y890-I914 HydrophobicContact CG-CD1 4.06Å; Y890-I914 PolarHBondContact OH-N 2.96Å; I893-I914 HydrophobicContact CD1-CD1 3.65Å; V912-I914 HydrophobicContact CG1-CD1 4.17Å; V912-I914 HydrophobicContact CG1-CG1 4.08Å
915	V	84.3	Confident	77.2	Confident	75 Å²	75	50.8 Å²	50.8	46%	0.455	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.9	178.2	-175.6	0	0	0	0	109.7	Y818 R819 N913	Y818-V915 CarbonylContact C-O 3.52Å; Y818-V915 WeakPolarHBondContact CA-O 3.47Å; R819-V915 PolarHBondContact N-O 2.82Å; R819-V915 PolarHBondContact O-N 3.42Å; N913-V915 WeakPolarHBondContact OD1-CG2 3.47Å
916	Q	85.8	Confident	76.6	Confident	36 Å²	36	53.1 Å²	53.1	17%	0.168	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.7	173.4	-172.5	-179.5	-54.5	0	0	110	Y818 V886 Q919	Y818-Q916 HydrophobicContact CD1-CB 3.81Å; Y818-Q916 HydrophobicContact CD1-CG 4.02Å; Y818-Q916 HydrophobicContact CE1-CB 3.75Å; Y818-Q916 HydrophobicContact CE1-CG 3.65Å; V886-Q916 HydrophobicContact CG2-CB 4.03Å; Q916-Q919 HydrophobicContact CB-CG 4.48Å
917	L	81.1	Confident	76.2	Confident	62 Å²	62	56.6 Å²	56.6	33%	0.325	32%	0.315	S	S	.	.	S	Bend	trans	-82.3	-24	-177.5	-66.6	168.1	0	0	0	113.1	R817 R819 E878 Q919	R817-L917 HydrophobicContact CB-CB 3.99Å; R817-L917 HydrophobicContact CB-CD1 4.18Å; R817-L917 PolarHBondContact O-N 2.78Å; R819-L917 HydrophobicContact CB-CD1 4.23Å; R819-L917 HydrophobicContact CB-CD2 4.21Å; R819-L917 HydrophobicContact CB-CG 4.28Å; E878-L917 HydrophobicContact CG-CD1 3.85Å; L917-Q919 VanDerWaalsContact C-N 3.35Å; L917-Q919 PolarHBondContact O-N 2.74Å
918	D	69.2	Low	75.9	Confident	50 Å²	50	59.8 Å²	59.8	27%	0.267	33%	0.332	S	S	.	.			trans	-94	34.9	-177.6	-61.1	-37	0	0	0	113.4	K816 R817 S920	K816-D918 WeakPolarHBondContact CA-OD2 3.43Å; R817-D918 WeakPolarHBondContact CB-OD2 3.34Å; R817-D918 IonicContact CZ-OD1 3.64Å; R817-D918 VanDerWaalsContact CZ-OD1 3.28Å; R817-D918 PolarHBondContact N-OD2 3.24Å; R817-D918 IonicContact NE-OD1 2.74Å; R817-D918 PolarHBondContact NE-OD1 2.81Å; R817-D918 IonicContact NE-OD2 3.49Å; R817-D918 IonicContact NH2-OD1 3.4Å; R817-D918 PolarHBondContact NH2-OD1 2.78Å; D918-S920 PolarHBondContact O-N 3.16Å
919	Q	58.1	Low	75.7	Confident	147 Å²	147	66.1 Å²	66.1	69%	0.687	36%	0.355	S	S	*	.			trans	-70.1	113.3	170.3	-75.2	-176.2	-16.8	0	0	108.9	Q916 L917	Q916-Q919 HydrophobicContact CB-CG 4.48Å; L917-Q919 VanDerWaalsContact C-N 3.35Å; L917-Q919 PolarHBondContact O-N 2.74Å
920	S	54.1	Low	75.8	Confident	102 Å²	102	68.7 Å²	68.7	71%	0.713	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-60.6	133	163.7	52	0	0	0	0	107.7	D918 S922	D918-S920 PolarHBondContact O-N 3.16Å; S920-S922 PolarHBondContact O-N 2.72Å
921	P	58.3	Low	76.1	Confident	60 Å²	60	71.8 Å²	71.8	39%	0.39	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-55.1	139.5	-178.2	19.1	-30	0	0	0	110.4	E925 V926 Y929	P921-E925 WeakPolarHBondContact CA-OE2 3.43Å; P921-E925 HydrophobicContact CB-CB 3.7Å; P921-E925 WeakPolarHBondContact CB-OE2 3.37Å; P921-V926 HydrophobicContact CB-CG2 3.98Å; P921-V926 HydrophobicContact CG-CG2 3.75Å; P921-Y929 HydrophobicContact CB-CE2 4.15Å
922	S	61.3	Low	76.2	Confident	54 Å²	54	76.8 Å²	76.8	38%	0.378	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56.8	158.5	177.6	79.1	0	0	0	0	110.3	S920 E924 E925 V926	S920-S922 PolarHBondContact O-N 2.72Å; S922-E924 PolarHBondContact O-N 3.15Å; S922-E924 VanDerWaalsContact O-N 3.08Å; S922-E924 PolarHBondContact OG-N 3.01Å; S922-E925 PolarHBondContact N-OE2 3.06Å; S922-E925 PolarHBondContact O-N 2.65Å; S922-E925 WeakPolarHBondContact OG-CG 2.9Å; S922-E925 PolarHBondContact OG-N 3.01Å; S922-V926 WeakPolarHBondContact O-CG2 3.37Å; S922-V926 PolarHBondContact O-N 3.23Å
923	A	69	Low	76.1	Confident	87 Å²	87	79.2 Å²	79.2	72%	0.719	43%	0.432	S	S	*	.	H	α-helix	trans	-56.2	-29.2	176.6	0	0	0	0	0	112	R927	A923-R927 VanDerWaalsContact O-CB 3.26Å; A923-R927 WeakPolarHBondContact O-CB 3.34Å; A923-R927 PolarHBondContact O-N 3.04Å
924	E	70.6	Confident	76.3	Confident	113 Å²	113	80.8 Å²	80.8	53%	0.528	44%	0.443	S	S	.	.	H	α-helix	trans	-73.6	-40.5	174.1	-56.4	-149	112.4	0	0	112.6	S922 R927 N928	S922-E924 PolarHBondContact O-N 3.15Å; S922-E924 VanDerWaalsContact O-N 3.08Å; S922-E924 PolarHBondContact OG-N 3.01Å; E924-R927 WeakPolarHBondContact O-CB 3.21Å; E924-R927 PolarHBondContact O-N 3.49Å; E924-R927 IonicContact OE1-CZ 3.48Å; E924-R927 IonicContact OE1-NH1 3.52Å; E924-R927 PolarHBondContact OE1-NH1 2.96Å; E924-R927 IonicContact OE1-NH2 2.75Å; E924-R927 PolarHBondContact OE1-NH2 3.07Å; E924-N928 WeakPolarHBondContact O-CB 3.11Å; E924-N928 PolarHBondContact O-N 2.7Å; E924-N928 PolarHBondContact O-ND2 2.83Å; E924-N928 PolarHBondContact O-OD1 2.93Å
925	E	71	Confident	76.3	Confident	97 Å²	97	84.7 Å²	84.7	45%	0.453	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-42.6	173.8	-72.6	170.1	167.7	0	0	111.1	P921 S922 R927 N928 Y929	P921-E925 WeakPolarHBondContact CA-OE2 3.43Å; P921-E925 HydrophobicContact CB-CB 3.7Å; P921-E925 WeakPolarHBondContact CB-OE2 3.37Å; S922-E925 PolarHBondContact N-OE2 3.06Å; S922-E925 PolarHBondContact O-N 2.65Å; S922-E925 WeakPolarHBondContact OG-CG 2.9Å; S922-E925 PolarHBondContact OG-N 3.01Å; E925-R927 PolarHBondContact O-N 3.4Å; E925-N928 CarbonylContact O-C 3.48Å; E925-N928 PolarHBondContact O-N 2.84Å; E925-Y929 HydrophobicContact CB-CE2 4.28Å; E925-Y929 WeakPolarHBondContact O-CB 3.42Å; E925-Y929 WeakPolarHBondContact O-CD2 3.4Å; E925-Y929 PolarHBondContact O-N 3.25Å
926	V	73.9	Confident	76.7	Confident	68 Å²	68	84 Å²	84	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-43.7	172.9	178.1	0	0	0	0	110.7	P921 S922 N928 Y929 V930	P921-V926 HydrophobicContact CB-CG2 3.98Å; P921-V926 HydrophobicContact CG-CG2 3.75Å; S922-V926 WeakPolarHBondContact O-CG2 3.37Å; S922-V926 PolarHBondContact O-N 3.23Å; V926-N928 VanDerWaalsContact C-N 3.31Å; V926-N928 PolarHBondContact O-N 2.81Å; V926-Y929 PolarHBondContact O-N 2.93Å; V926-V930 HydrophobicContact CG1-CG2 4.46Å; V926-V930 VanDerWaalsContact O-CG2 3.29Å; V926-V930 WeakPolarHBondContact O-CG2 3.44Å; V926-V930 PolarHBondContact O-N 3.18Å
927	R	79.8	Confident	77	Confident	124 Å²	124	86.3 Å²	86.3	47%	0.468	48%	0.478	S	S	.	.	H	α-helix	trans	-57.7	-46	174.2	-176.1	-171.5	74.8	-137.7	1.3	110.6	A923 E924 E925 V930 I931	A923-R927 VanDerWaalsContact O-CB 3.26Å; A923-R927 WeakPolarHBondContact O-CB 3.34Å; A923-R927 PolarHBondContact O-N 3.04Å; E924-R927 WeakPolarHBondContact O-CB 3.21Å; E924-R927 PolarHBondContact O-N 3.49Å; E924-R927 IonicContact OE1-CZ 3.48Å; E924-R927 IonicContact OE1-NH1 3.52Å; E924-R927 PolarHBondContact OE1-NH1 2.96Å; E924-R927 IonicContact OE1-NH2 2.75Å; E924-R927 PolarHBondContact OE1-NH2 3.07Å; E925-R927 PolarHBondContact O-N 3.4Å; R927-V930 PolarHBondContact O-N 2.78Å; R927-I931 HydrophobicContact CG-CD1 3.97Å; R927-I931 VanDerWaalsContact O-CG1 3.25Å; R927-I931 WeakPolarHBondContact O-CG1 3.5Å; R927-I931 PolarHBondContact O-N 2.76Å
928	N	79.6	Confident	77.5	Confident	72 Å²	72	90 Å²	90	39%	0.385	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-41.3	179.4	-67.2	-8.8	0	0	0	111.3	E924 E925 V926 V930 I931 I932	E924-N928 WeakPolarHBondContact O-CB 3.11Å; E924-N928 PolarHBondContact O-N 2.7Å; E924-N928 PolarHBondContact O-ND2 2.83Å; E924-N928 PolarHBondContact O-OD1 2.93Å; E925-N928 CarbonylContact O-C 3.48Å; E925-N928 PolarHBondContact O-N 2.84Å; V926-N928 VanDerWaalsContact C-N 3.31Å; V926-N928 PolarHBondContact O-N 2.81Å; N928-V930 VanDerWaalsContact C-N 3.35Å; N928-V930 PolarHBondContact O-N 2.89Å; N928-I931 PolarHBondContact O-N 2.94Å; N928-I932 WeakPolarHBondContact O-CB 3.41Å; N928-I932 WeakPolarHBondContact O-CG1 3.18Å; N928-I932 PolarHBondContact O-N 3.49Å
929	Y	80.9	Confident	78.7	Confident	149 Å²	149	92.1 Å²	92.1	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-38.7	174	-73.5	-52.2	0	0	0	112.5	P921 E925 V926 I932 A933	P921-Y929 HydrophobicContact CB-CE2 4.15Å; E925-Y929 HydrophobicContact CB-CE2 4.28Å; E925-Y929 WeakPolarHBondContact O-CB 3.42Å; E925-Y929 WeakPolarHBondContact O-CD2 3.4Å; E925-Y929 PolarHBondContact O-N 3.25Å; V926-Y929 PolarHBondContact O-N 2.93Å; Y929-I932 PolarHBondContact O-N 2.91Å; Y929-A933 VanDerWaalsContact O-CB 3.31Å; Y929-A933 WeakPolarHBondContact O-CB 3.32Å; Y929-A933 PolarHBondContact O-N 3.46Å
930	V	84.4	Confident	80.4	Confident	85 Å²	85	90.2 Å²	90.2	52%	0.515	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-43.6	173.8	171.7	0	0	0	0	110.7	V926 R927 N928 A933 V934	V926-V930 HydrophobicContact CG1-CG2 4.46Å; V926-V930 VanDerWaalsContact O-CG2 3.29Å; V926-V930 WeakPolarHBondContact O-CG2 3.44Å; V926-V930 PolarHBondContact O-N 3.18Å; R927-V930 PolarHBondContact O-N 2.78Å; N928-V930 VanDerWaalsContact C-N 3.35Å; N928-V930 PolarHBondContact O-N 2.89Å; V930-A933 PolarHBondContact O-N 3.49Å; V930-V934 VanDerWaalsContact O-CG2 3.31Å; V930-V934 WeakPolarHBondContact O-CG2 3.47Å; V930-V934 PolarHBondContact O-N 2.88Å
931	I	85.1	Confident	82.3	Confident	81 Å²	81	89.7 Å²	89.7	42%	0.415	48%	0.484	S	S	.	.	H	α-helix	trans	-61.4	-47.3	176.5	-69.5	165.5	0	0	0	110.5	R927 N928 A933 V934 I935	R927-I931 HydrophobicContact CG-CD1 3.97Å; R927-I931 VanDerWaalsContact O-CG1 3.25Å; R927-I931 WeakPolarHBondContact O-CG1 3.5Å; R927-I931 PolarHBondContact O-N 2.76Å; N928-I931 PolarHBondContact O-N 2.94Å; I931-A933 VanDerWaalsContact C-N 3.35Å; I931-A933 PolarHBondContact O-N 3.03Å; I931-V934 PolarHBondContact O-N 2.73Å; I931-I935 HydrophobicContact CG2-CD1 3.65Å; I931-I935 HydrophobicContact CG2-CG1 4.37Å; I931-I935 VanDerWaalsContact O-CG1 3.29Å; I931-I935 WeakPolarHBondContact O-CG1 3.45Å; I931-I935 PolarHBondContact O-N 2.85Å
932	I	87.5	Confident	83.8	Confident	104 Å²	104	89.2 Å²	89.2	53%	0.533	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-42.9	177.9	-67.5	164.2	0	0	0	110.7	N928 Y929 V934 I935 S936	N928-I932 WeakPolarHBondContact O-CB 3.41Å; N928-I932 WeakPolarHBondContact O-CG1 3.18Å; N928-I932 PolarHBondContact O-N 3.49Å; Y929-I932 PolarHBondContact O-N 2.91Å; I932-V934 PolarHBondContact O-N 2.96Å; I932-I935 PolarHBondContact O-N 2.84Å; I932-S936 WeakPolarHBondContact O-CB 3.34Å; I932-S936 PolarHBondContact O-N 2.83Å; I932-S936 PolarHBondContact O-OG 2.92Å
933	A	87	Confident	85.4	Confident	52 Å²	52	91 Å²	91	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-61.6	-44.1	177.1	0	0	0	0	0	111.7	Y929 V930 I931 S936 V937	Y929-A933 VanDerWaalsContact O-CB 3.31Å; Y929-A933 WeakPolarHBondContact O-CB 3.32Å; Y929-A933 PolarHBondContact O-N 3.46Å; V930-A933 PolarHBondContact O-N 3.49Å; I931-A933 VanDerWaalsContact C-N 3.35Å; I931-A933 PolarHBondContact O-N 3.03Å; A933-S936 PolarHBondContact O-N 2.77Å; A933-S936 PolarHBondContact O-OG 3.22Å; A933-V937 WeakPolarHBondContact O-CG2 3.28Å; A933-V937 PolarHBondContact O-N 3.48Å; A933-V937 VanDerWaalsContact O-N 3.11Å
934	V	91.3	Very high	86.5	Confident	72 Å²	72	91.1 Å²	91.1	44%	0.436	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-46.2	176.9	171.9	0	0	0	0	111.2	V930 I931 I932 S936 V937 F938	V930-V934 VanDerWaalsContact O-CG2 3.31Å; V930-V934 WeakPolarHBondContact O-CG2 3.47Å; V930-V934 PolarHBondContact O-N 2.88Å; I931-V934 PolarHBondContact O-N 2.73Å; I932-V934 PolarHBondContact O-N 2.96Å; V934-S936 VanDerWaalsContact C-N 3.32Å; V934-S936 PolarHBondContact O-N 3.48Å; V934-V937 PolarHBondContact O-N 3.02Å; V934-F938 HydrophobicContact CG1-CD2 3.74Å; V934-F938 HydrophobicContact CG1-CE2 3.55Å; V934-F938 VanDerWaalsContact O-CD2 3.23Å; V934-F938 WeakPolarHBondContact O-CD2 3.35Å; V934-F938 PolarHBondContact O-N 3.04Å; V934-F938 VanDerWaalsContact O-N 3.08Å
935	I	90.8	Very high	87.5	Confident	88 Å²	88	90.8 Å²	90.8	45%	0.451	48%	0.479	S	S	.	.	H	α-helix	trans	-60.4	-42.9	176.7	-68.1	169.4	0	0	0	110.6	I931 I932 V937 F938 I939	I931-I935 HydrophobicContact CG2-CD1 3.65Å; I931-I935 HydrophobicContact CG2-CG1 4.37Å; I931-I935 VanDerWaalsContact O-CG1 3.29Å; I931-I935 WeakPolarHBondContact O-CG1 3.45Å; I931-I935 PolarHBondContact O-N 2.85Å; I932-I935 PolarHBondContact O-N 2.84Å; I935-V937 VanDerWaalsContact C-N 3.32Å; I935-V937 PolarHBondContact O-N 3.42Å; I935-F938 PolarHBondContact O-N 3.41Å; I935-F938 VanDerWaalsContact O-N 3.17Å; I935-I939 HydrophobicContact CG2-CD1 3.71Å; I935-I939 HydrophobicContact CG2-CG1 4.26Å; I935-I939 WeakPolarHBondContact O-CG1 3.41Å; I935-I939 PolarHBondContact O-N 2.81Å
936	S	90.9	Very high	88.4	Confident	60 Å²	60	89.6 Å²	89.6	42%	0.42	48%	0.478	S	S	.	.	H	α-helix	trans	-62	-38.4	178.9	74.6	0	0	0	0	112.5	I932 A933 V934 I939 L940	I932-S936 WeakPolarHBondContact O-CB 3.34Å; I932-S936 PolarHBondContact O-N 2.83Å; I932-S936 PolarHBondContact O-OG 2.92Å; A933-S936 PolarHBondContact O-N 2.77Å; A933-S936 PolarHBondContact O-OG 3.22Å; V934-S936 VanDerWaalsContact C-N 3.32Å; V934-S936 PolarHBondContact O-N 3.48Å; S936-I939 PolarHBondContact O-N 3.26Å; S936-L940 WeakPolarHBondContact O-CB 3.33Å; S936-L940 PolarHBondContact O-N 2.95Å
937	V	92.9	Very high	89.1	Confident	86 Å²	86	90.6 Å²	90.6	52%	0.521	48%	0.484	S	S	.	.	H	α-helix	trans	-66.5	-40.6	175	172.5	0	0	0	0	111.2	A933 V934 I935 L940 L941	A933-V937 WeakPolarHBondContact O-CG2 3.28Å; A933-V937 PolarHBondContact O-N 3.48Å; A933-V937 VanDerWaalsContact O-N 3.11Å; V934-V937 PolarHBondContact O-N 3.02Å; I935-V937 VanDerWaalsContact C-N 3.32Å; I935-V937 PolarHBondContact O-N 3.42Å; V937-L940 PolarHBondContact O-N 3.41Å; V937-L941 HydrophobicContact CG1-CD1 4.2Å; V937-L941 WeakPolarHBondContact O-CG 3.38Å; V937-L941 PolarHBondContact O-N 3.44Å
938	F	92.8	Very high	89.5	Confident	138 Å²	138	87.6 Å²	87.6	61%	0.605	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-41.9	175.4	-82.5	-68	0	0	0	112.5	V934 I935 L940 L941 A942	V934-F938 HydrophobicContact CG1-CD2 3.74Å; V934-F938 HydrophobicContact CG1-CE2 3.55Å; V934-F938 VanDerWaalsContact O-CD2 3.23Å; V934-F938 WeakPolarHBondContact O-CD2 3.35Å; V934-F938 PolarHBondContact O-N 3.04Å; V934-F938 VanDerWaalsContact O-N 3.08Å; I935-F938 PolarHBondContact O-N 3.41Å; I935-F938 VanDerWaalsContact O-N 3.17Å; F938-L940 VanDerWaalsContact C-N 3.35Å; F938-L941 PolarHBondContact O-N 3.32Å; F938-A942 WeakPolarHBondContact O-CB 3.43Å; F938-A942 PolarHBondContact O-N 2.88Å
939	I	93.5	Very high	89.9	Confident	96 Å²	96	89.4 Å²	89.4	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-63	-43.4	175	-67.5	171.4	0	0	0	110.2	I935 S936 L941 A942 I943	I935-I939 HydrophobicContact CG2-CD1 3.71Å; I935-I939 HydrophobicContact CG2-CG1 4.26Å; I935-I939 WeakPolarHBondContact O-CG1 3.41Å; I935-I939 PolarHBondContact O-N 2.81Å; S936-I939 PolarHBondContact O-N 3.26Å; I939-L941 PolarHBondContact O-N 3.11Å; I939-A942 PolarHBondContact O-N 2.82Å; I939-I943 HydrophobicContact CG2-CD1 3.8Å; I939-I943 HydrophobicContact CG2-CG1 4.39Å; I939-I943 VanDerWaalsContact O-CG1 3.29Å; I939-I943 WeakPolarHBondContact O-CG1 3.41Å; I939-I943 PolarHBondContact O-N 3.34Å
940	L	93.4	Very high	90	Very high	107 Å²	107	87.6 Å²	87.6	56%	0.56	49%	0.49	S	S	*	.	H	α-helix	trans	-63.2	-40.8	178.2	-131.6	151.3	0	0	0	111.8	S936 V937 F938 I943 I944	S936-L940 WeakPolarHBondContact O-CB 3.33Å; S936-L940 PolarHBondContact O-N 2.95Å; V937-L940 PolarHBondContact O-N 3.41Å; F938-L940 VanDerWaalsContact C-N 3.35Å; L940-I943 PolarHBondContact O-N 3.17Å; L940-I944 HydrophobicContact CD2-CD1 3.85Å; L940-I944 HydrophobicContact CD2-CG1 4.41Å; L940-I944 VanDerWaalsContact O-CG1 3.24Å; L940-I944 WeakPolarHBondContact O-CG1 3.46Å; L940-I944 PolarHBondContact O-N 3.44Å
941	L	93.7	Very high	89.9	Confident	90 Å²	90	91.9 Å²	91.9	47%	0.471	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-41.5	173.2	-76.5	169.7	0	0	0	112.3	V937 F938 I939 I944 L945	V937-L941 HydrophobicContact CG1-CD1 4.2Å; V937-L941 WeakPolarHBondContact O-CG 3.38Å; V937-L941 PolarHBondContact O-N 3.44Å; F938-L941 PolarHBondContact O-N 3.32Å; I939-L941 PolarHBondContact O-N 3.11Å; L941-I944 PolarHBondContact O-N 3.41Å; L941-L945 WeakPolarHBondContact O-CB 3.27Å; L941-L945 VanDerWaalsContact O-CG 3.3Å; L941-L945 WeakPolarHBondContact O-CG 3.2Å; L941-L945 PolarHBondContact O-N 3.49Å
942	A	91.3	Very high	89.6	Confident	51 Å²	51	93.4 Å²	93.4	42%	0.421	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-40.4	176.4	0	0	0	0	0	111.8	F938 I939 L945 T946	F938-A942 WeakPolarHBondContact O-CB 3.43Å; F938-A942 PolarHBondContact O-N 2.88Å; I939-A942 PolarHBondContact O-N 2.82Å; A942-L945 PolarHBondContact O-N 3.39Å; A942-T946 WeakPolarHBondContact O-CB 3.37Å; A942-T946 VanDerWaalsContact O-CG2 3.28Å; A942-T946 WeakPolarHBondContact O-CG2 3.45Å; A942-T946 PolarHBondContact O-N 3.21Å; A942-T946 PolarHBondContact O-OG1 3.1Å
943	I	93.8	Very high	89	Confident	92 Å²	92	90.7 Å²	90.7	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-44.8	173.8	-66.9	167.8	0	0	0	110.6	I939 L940 L945 T946 V947	I939-I943 HydrophobicContact CG2-CD1 3.8Å; I939-I943 HydrophobicContact CG2-CG1 4.39Å; I939-I943 VanDerWaalsContact O-CG1 3.29Å; I939-I943 WeakPolarHBondContact O-CG1 3.41Å; I939-I943 PolarHBondContact O-N 3.34Å; L940-I943 PolarHBondContact O-N 3.17Å; I943-L945 VanDerWaalsContact C-N 3.32Å; I943-L945 PolarHBondContact O-N 3.28Å; I943-T946 WeakPolarHBondContact CA-OG1 3.48Å; I943-T946 PolarHBondContact O-N 3.33Å; I943-T946 PolarHBondContact O-OG1 3.11Å; I943-V947 HydrophobicContact CG2-CG2 4.37Å; I943-V947 WeakPolarHBondContact O-CB 3.25Å; I943-V947 VanDerWaalsContact O-CG2 3.26Å; I943-V947 WeakPolarHBondContact O-CG2 3.28Å; I943-V947 PolarHBondContact O-N 3.36Å
944	I	93.2	Very high	88.1	Confident	88 Å²	88	98 Å²	98	45%	0.451	51%	0.512	S	S	.	.	H	α-helix	trans	-61.5	-42.3	176.5	-69.3	165.2	0	0	0	111	L940 L941 C948	L940-I944 HydrophobicContact CD2-CD1 3.85Å; L940-I944 HydrophobicContact CD2-CG1 4.41Å; L940-I944 VanDerWaalsContact O-CG1 3.24Å; L940-I944 WeakPolarHBondContact O-CG1 3.46Å; L940-I944 PolarHBondContact O-N 3.44Å; L941-I944 PolarHBondContact O-N 3.41Å; I944-C948 WeakPolarHBondContact O-CB 3.39Å; I944-C948 PolarHBondContact O-N 3.23Å; I944-C948 PolarHBondContact O-SG 2.89Å
945	L	90.7	Very high	87	Confident	107 Å²	107	101.7 Å²	101.7	56%	0.56	52%	0.522	S	S	*	.	H	α-helix	trans	-66.1	-44.6	178.2	-75	170.2	0	0	0	112	L941 A942 I943 C948 I949	L941-L945 WeakPolarHBondContact O-CB 3.27Å; L941-L945 VanDerWaalsContact O-CG 3.3Å; L941-L945 WeakPolarHBondContact O-CG 3.2Å; L941-L945 PolarHBondContact O-N 3.49Å; A942-L945 PolarHBondContact O-N 3.39Å; I943-L945 VanDerWaalsContact C-N 3.32Å; I943-L945 PolarHBondContact O-N 3.28Å; L945-C948 WeakPolarHBondContact O-CB 3.47Å; L945-C948 PolarHBondContact O-N 2.9Å; L945-I949 VanDerWaalsContact O-CG1 3.25Å; L945-I949 WeakPolarHBondContact O-CG1 3.33Å; L945-I949 PolarHBondContact O-N 2.87Å
946	T	89.2	Confident	85.4	Confident	72 Å²	72	107.5 Å²	107.5	44%	0.442	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-42.1	177	51.9	0	0	0	0	111.6	A942 I943 C948 I949 L950	A942-T946 WeakPolarHBondContact O-CB 3.37Å; A942-T946 VanDerWaalsContact O-CG2 3.28Å; A942-T946 WeakPolarHBondContact O-CG2 3.45Å; A942-T946 PolarHBondContact O-N 3.21Å; A942-T946 PolarHBondContact O-OG1 3.1Å; I943-T946 WeakPolarHBondContact CA-OG1 3.48Å; I943-T946 PolarHBondContact O-N 3.33Å; I943-T946 PolarHBondContact O-OG1 3.11Å; T946-C948 VanDerWaalsContact C-N 3.35Å; T946-C948 PolarHBondContact O-N 2.86Å; T946-I949 PolarHBondContact O-N 2.8Å; T946-L950 WeakPolarHBondContact O-CB 3.23Å; T946-L950 VanDerWaalsContact O-CG 3.29Å; T946-L950 WeakPolarHBondContact O-CG 3.25Å; T946-L950 PolarHBondContact O-N 2.76Å
947	V	90.4	Very high	83.6	Confident	88 Å²	88	115.3 Å²	115.3	53%	0.533	56%	0.559	S	S	.	*	H	α-helix	trans	-61.6	-42.4	173	172.6	0	0	0	0	111	I943 L950 W951	I943-V947 HydrophobicContact CG2-CG2 4.37Å; I943-V947 WeakPolarHBondContact O-CB 3.25Å; I943-V947 VanDerWaalsContact O-CG2 3.26Å; I943-V947 WeakPolarHBondContact O-CG2 3.28Å; I943-V947 PolarHBondContact O-N 3.36Å; V947-L950 PolarHBondContact O-N 3.21Å; V947-W951 VanDerWaalsContact O-CB 3.28Å; V947-W951 WeakPolarHBondContact O-CB 3.46Å; V947-W951 PolarHBondContact O-N 2.87Å
948	C	88.1	Confident	81.5	Confident	62 Å²	62	116.1 Å²	116.1	42%	0.419	57%	0.569	S	S	.	*	H	α-helix	trans	-62.4	-42.7	175.2	-72.4	0	0	0	0	112.4	I944 L945 T946 W951 Q952	I944-C948 WeakPolarHBondContact O-CB 3.39Å; I944-C948 PolarHBondContact O-N 3.23Å; I944-C948 PolarHBondContact O-SG 2.89Å; L945-C948 WeakPolarHBondContact O-CB 3.47Å; L945-C948 PolarHBondContact O-N 2.9Å; T946-C948 VanDerWaalsContact C-N 3.35Å; T946-C948 PolarHBondContact O-N 2.86Å; C948-W951 PolarHBondContact O-N 2.77Å; C948-Q952 WeakPolarHBondContact O-CG 3.15Å; C948-Q952 PolarHBondContact O-N 2.77Å
949	I	87.2	Confident	79.2	Confident	110 Å²	110	117.8 Å²	117.8	56%	0.564	58%	0.576	S	S	*	*	H	α-helix	trans	-65.1	-45.9	177.7	-68.8	164.5	0	0	0	110.4	L945 T946 W951 Q952 A953	L945-I949 VanDerWaalsContact O-CG1 3.25Å; L945-I949 WeakPolarHBondContact O-CG1 3.33Å; L945-I949 PolarHBondContact O-N 2.87Å; T946-I949 PolarHBondContact O-N 2.8Å; I949-W951 VanDerWaalsContact C-N 3.32Å; I949-W951 PolarHBondContact O-N 2.83Å; I949-Q952 PolarHBondContact O-N 3.5Å; I949-A953 WeakPolarHBondContact O-CB 3.2Å; I949-A953 PolarHBondContact O-N 2.81Å
950	L	82.7	Confident	76.7	Confident	110 Å²	110	123.9 Å²	123.9	58%	0.576	59%	0.594	S	S	*	*	H	α-helix	trans	-63.4	-37.4	176.5	-72.1	173.6	0	0	0	111.9	T946 V947 A953 R954	T946-L950 WeakPolarHBondContact O-CB 3.23Å; T946-L950 VanDerWaalsContact O-CG 3.29Å; T946-L950 WeakPolarHBondContact O-CG 3.25Å; T946-L950 PolarHBondContact O-N 2.76Å; V947-L950 PolarHBondContact O-N 3.21Å; L950-A953 PolarHBondContact O-N 2.8Å; L950-R954 WeakPolarHBondContact O-CB 3.49Å; L950-R954 PolarHBondContact O-N 3.01Å
951	W	82	Confident	74.2	Confident	175 Å²	175	124.5 Å²	124.5	66%	0.663	60%	0.604	S	S	*	*	H	α-helix	trans	-68.4	-40.5	175.9	-162.5	67	0	0	0	111.9	V947 C948 I949 R954 K955	V947-W951 VanDerWaalsContact O-CB 3.28Å; V947-W951 WeakPolarHBondContact O-CB 3.46Å; V947-W951 PolarHBondContact O-N 2.87Å; C948-W951 PolarHBondContact O-N 2.77Å; I949-W951 VanDerWaalsContact C-N 3.32Å; I949-W951 PolarHBondContact O-N 2.83Å; W951-R954 PolarHBondContact O-N 2.81Å; W951-K955 WeakPolarHBondContact O-CB 3.3Å; W951-K955 PolarHBondContact O-N 2.75Å
952	Q	79.6	Confident	71.6	Confident	114 Å²	114	126.3 Å²	126.3	53%	0.533	62%	0.622	S	S	.	*	H	α-helix	trans	-65.1	-39.9	172.6	-73.8	-172.5	10	0	0	112.3	C948 I949 K955 R956	C948-Q952 WeakPolarHBondContact O-CG 3.15Å; C948-Q952 PolarHBondContact O-N 2.77Å; I949-Q952 PolarHBondContact O-N 3.5Å; Q952-K955 PolarHBondContact O-N 2.99Å; Q952-R956 WeakPolarHBondContact O-CG 3.29Å; Q952-R956 PolarHBondContact O-N 2.79Å; Q952-R956 VanDerWaalsContact O-N 3.12Å
953	A	74.5	Confident	69.1	Low	47 Å²	47	135.9 Å²	135.9	39%	0.388	65%	0.647	S	S	.	*	H	α-helix	trans	-65.7	-41	176.3	0	0	0	0	0	111.8	I949 L950 R956 R957	I949-A953 WeakPolarHBondContact O-CB 3.2Å; I949-A953 PolarHBondContact O-N 2.81Å; L950-A953 PolarHBondContact O-N 2.8Å; A953-R956 PolarHBondContact O-N 3.09Å; A953-R957 PolarHBondContact O-N 3.15Å
954	R	68.9	Low	66.2	Low	204 Å²	204	142.7 Å²	142.7	77%	0.77	67%	0.666	S	S	*	*	H	α-helix	trans	-66.2	-40	173.8	-84.4	-176.3	173.2	161.8	-0.3	112.5	L950 W951 R956 R957	L950-R954 WeakPolarHBondContact O-CB 3.49Å; L950-R954 PolarHBondContact O-N 3.01Å; W951-R954 PolarHBondContact O-N 2.81Å; R954-R956 VanDerWaalsContact C-N 3.3Å; R954-R956 PolarHBondContact O-N 3.05Å; R954-R957 PolarHBondContact O-N 3.05Å
955	K	68.4	Low	63.4	Low	151 Å²	151	145.6 Å²	145.6	66%	0.657	68%	0.682	S	S	*	*	H	α-helix	trans	-66.2	-29.7	177.9	-163.2	173.4	-176.3	176.7	0	112.7	W951 Q952	W951-K955 WeakPolarHBondContact O-CB 3.3Å; W951-K955 PolarHBondContact O-N 2.75Å; Q952-K955 PolarHBondContact O-N 2.99Å
956	R	57.1	Low	60.7	Low	210 Å²	210	148.5 Å²	148.5	79%	0.792	69%	0.694	S	S	*	*	H	α-helix	trans	-79	-21	175.7	-71.8	-174.8	-171.1	-177.3	5.2	114.2	Q952 A953 R954	Q952-R956 WeakPolarHBondContact O-CG 3.29Å; Q952-R956 PolarHBondContact O-N 2.79Å; Q952-R956 VanDerWaalsContact O-N 3.12Å; A953-R956 PolarHBondContact O-N 3.09Å; R954-R956 VanDerWaalsContact C-N 3.3Å; R954-R956 PolarHBondContact O-N 3.05Å
957	R	52.4	Low	58.2	Low	223 Å²	223	150.5 Å²	150.5	84%	0.842	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	5.5	-180	-70.2	-173	-177.2	-174.6	2.6	115.1	A953 R954	A953-R957 PolarHBondContact O-N 3.15Å; R954-R957 PolarHBondContact O-N 3.05Å
958	S	48	Very low	55.6	Low	104 Å²	104	153.5 Å²	153.5	73%	0.727	71%	0.708	S	S	*	*	S	Bend	trans	-98.3	21.9	-177.7	-172.1	0	0	0	0	115.3
959	K	45.9	Very low	53	Low	173 Å²	173	158.9 Å²	158.9	75%	0.752	72%	0.724	S	S	*	*	S	Bend	trans	-124.2	141.6	164.9	-77.9	-179.6	176.7	179.5	0	106.9
960	Y	41.4	Very low	50.4	Low	223 Å²	223	163.3 Å²	163.3	88%	0.875	73%	0.734	S	S	*	*			trans	100.8	106.9	180	-50.8	-65.3	0	0	0	115.9
961	P	40	Very low	48	Very low	120 Å²	120	167 Å²	167	78%	0.779	74%	0.741	S	S	*	*			trans	-87.1	158.6	172.6	35.6	-31	0	0	0	111.6
962	P	38.1	Very low	45.7	Very low	129 Å²	129	164.2 Å²	164.2	84%	0.838	74%	0.744	S	S	*	*			trans	-87.6	141.2	-170.1	34.4	-32	0	0	0	112.5
963	R	38.7	Very low	43.5	Very low	251 Å²	251	165.4 Å²	165.4	95%	0.947	75%	0.754	S	S	*	*			trans	-126.4	134.3	166	-100.4	-172.1	-176.8	-169	1.8	111.4
964	R	33.1	Very low	41.6	Very low	235 Å²	235	170.4 Å²	170.4	89%	0.887	77%	0.769	S	S	*	*			trans	-76.4	168.7	174.5	-66.6	-176.7	-175.8	-158	1	112.2
965	I	36.3	Very low	40.1	Very low	150 Å²	150	166.7 Å²	166.7	77%	0.769	76%	0.764	S	S	*	*			trans	116.1	105.2	143.6	-59.1	178.9	0	0	0	116.4
966	M	33.6	Very low	38.2	Very low	168 Å²	168	169.9 Å²	169.9	83%	0.828	77%	0.774	S	S	*	*			trans	67.9	124.2	131.3	-70.7	-160.5	142.1	0	0	125
967	D	35.4	Very low	37.4	Very low	114 Å²	114	164.7 Å²	164.7	61%	0.61	77%	0.767	S	S	*	*				67.5	123.9	128.6	-108.7	6.3	0	0	0	123.1
968	K	36	Very low	36.3	Very low	151 Å²	151	161.2 Å²	161.2	66%	0.657	77%	0.765	S	S	*	*			trans	77.4	116.4	136.1	-79.2	172.4	-175.7	131.5	0	121.2
969	K	34.6	Very low	35.7	Very low	175 Å²	175	165 Å²	165	76%	0.761	77%	0.771	S	S	*	*				97.5	125.4	119.8	-84.9	-178.8	-178.3	-178	0	119.3
970	R	32.8	Very low	34.9	Very low	202 Å²	202	167.4 Å²	167.4	76%	0.762	78%	0.776	S	S	*	*			trans	95	107.8	133.4	-80.5	-165.8	160.9	167.7	-5.2	120
971	Y	31.6	Very low	34.7	Very low	187 Å²	187	161.6 Å²	161.6	73%	0.733	77%	0.766	S	S	*	*				80.5	126.6	115.3	-82.1	-50.4	0	0	0	122.2
972	V	33.4	Very low	34.3	Very low	117 Å²	117	164.9 Å²	164.9	71%	0.709	77%	0.768	S	S	*	*			trans	85.2	104.4	134.6	176.4	0	0	0	0	114.9
973	N	32.7	Very low	34	Very low	139 Å²	139	165.1 Å²	165.1	74%	0.743	77%	0.767	S	S	*	*				99.8	129.4	68.6	-155.5	6.4	0	0	0	108.9
974	Q	34.9	Very low	33.5	Very low	152 Å²	152	162.2 Å²	162.2	71%	0.71	76%	0.762	S	S	*	*			trans	146.6	124.3	131.7	-82.3	-179.3	-3.2	0	0	115.4
975	N	37.4	Very low	33.6	Very low	126 Å²	126	156.5 Å²	156.5	67%	0.674	76%	0.755	S	S	*	*			trans	98.6	90.7	136.5	-61.5	-10.9	0	0	0	121.4
976	Y	29.4	Very low	33.5	Very low	219 Å²	219	157.2 Å²	157.2	86%	0.859	76%	0.757	S	S	*	*				53.7	156.9	107.8	-85.8	-79.9	0	0	0	121.5
977	P	38.9	Very low	33.6	Very low	101 Å²	101	153.9 Å²	153.9	66%	0.656	75%	0.748	S	S	*	*				-134.1	-151.2	-123.1	34.8	-7.5	0	0	0	112.6
978	L	29.4	Very low	33.2	Very low	149 Å²	149	155.9 Å²	155.9	78%	0.78	76%	0.755	S	S	*	*			trans	107.5	109.2	163.4	-72.8	139.6	0	0	0	117
979	H	35.1	Very low	32.8	Very low	185 Å²	185	158.4 Å²	158.4	86%	0.856	76%	0.762	S	S	*	*				176.7	119.3	115.1	-100.7	-58.2	0	0	0	113.9
980	Y	29.6	Very low	32.5	Very low	222 Å²	222	157.3 Å²	157.3	87%	0.871	76%	0.76	S	S	*	*			trans	-96.3	-178	152.6	-85.6	-87.9	0	0	0	108.4
981	P	37.5	Very low	32.2	Very low	102 Å²	102	155.1 Å²	155.1	66%	0.662	76%	0.758	S	S	*	*			cis	-135.9	-178.6	-17.2	23.5	1.5	0	0	0	114.1
982	K	30.7	Very low	32.1	Very low	188 Å²	188	150.5 Å²	150.5	82%	0.817	76%	0.758	S	S	*	*			trans	135	137.8	131.6	-71.9	-172.4	177.1	-179	0	116.9
983	V	32.4	Very low	31.8	Very low	134 Å²	134	155.9 Å²	155.9	81%	0.812	77%	0.766	S	S	*	*			trans	111.2	109.7	145.2	-159.3	0	0	0	0	118.4
984	F	29.6	Very low	31.6	Very low	191 Å²	191	157.7 Å²	157.7	84%	0.838	77%	0.769	S	S	*	*			trans	-47.7	-178.9	163.2	-76.6	-94	0	0	0	116.7
985	P	34.8	Very low	31.2	Very low	115 Å²	115	160 Å²	160	75%	0.747	77%	0.773	S	S	*	*			cis	-136.9	168.2	2.8	25.3	0.6	0	0	0	118.2
986	M	33.2	Very low	30.9	Very low	165 Å²	165	159.5 Å²	159.5	81%	0.813	78%	0.779	S	S	*	*			trans	-21.1	178.5	154.7	-68.7	-70.6	-89.7	0	0	120.2
987	P	36.5	Very low	30.8	Very low	98 Å²	98	153.1 Å²	153.1	64%	0.636	77%	0.767	S	S	*	*			cis	-136.6	-177.3	-24.1	27.4	-4.2	0	0	0	113.8
988	M	27	Very low	30.4	Very low	155 Å²	155	154.3 Å²	154.3	76%	0.764	78%	0.775	S	S	*	*			trans	141.9	115.9	134.2	-75.1	-170.8	78.1	0	0	114.7
989	Y	27.3	Very low	30.3	Very low	204 Å²	204	152 Å²	152	80%	0.8	77%	0.771	S	S	*	*			trans	46.5	121	130.2	-76.5	-86.2	0	0	0	120.5
990	E	28.4	Very low	29.9	Very low	152 Å²	152	147.5 Å²	147.5	71%	0.71	77%	0.766	S	S	*	*				155	133.6	103.8	-107.3	172.8	175.9	0	0	113.5
991	H	26.7	Very low	30	Very low	157 Å²	157	145.3 Å²	145.3	73%	0.727	77%	0.768	S	S	*	*			trans	59.2	125.8	143.7	-58	-36.6	0	0	0	120.7
992	A	29.7	Very low	29.4	Very low	89 Å²	89	146.5 Å²	146.5	74%	0.736	77%	0.774	S	S	*	*				165.1	138.2	93	0	0	0	0	0	113.2
993	R	26.3	Very low	29.5	Very low	230 Å²	230	143.5 Å²	143.5	87%	0.868	78%	0.776	S	S	*	*			trans	-44	138	168	-58.5	165.6	-178.3	164.1	-2.1	114.1
994	H	28.8	Very low	29.3	Very low	177 Å²	177	146.2 Å²	146.2	82%	0.819	78%	0.777	S	S	*	*			trans	-145.6	102.1	151.3	-79	-61.1	0	0	0	108.2
995	Y	26	Very low	29.4	Very low	201 Å²	201	145.2 Å²	145.2	79%	0.788	78%	0.775	S	S	*	*				51.9	115.1	91.7	-88.4	-84.6	0	0	0	115
996	S	30.5	Very low	29.1	Very low	115 Å²	115	146 Å²	146	80%	0.804	77%	0.773	S	S	*	*			trans	-152.4	85.1	130.9	31.4	0	0	0	0	111.1
997	S	29	Very low	28.9	Very low	86 Å²	86	144 Å²	144	60%	0.601	77%	0.77	S	S	*	*			trans	-69.7	158.9	141.9	-157.8	0	0	0	0	107.6
998	P	30.6	Very low	28.7	Very low	126 Å²	126	143.9 Å²	143.9	82%	0.818	77%	0.771	S	S	*	*				-136	119.1	122	20.6	-1.8	0	0	0	113.1
999	S	27.6	Very low	28.8	Very low	100 Å²	100	144.1 Å²	144.1	70%	0.699	78%	0.776	S	S	*	*			trans	-65.1	149.3	152.2	-45.2	0	0	0	0	111.9
1000	A	25.8	Very low	29	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	77%	0.772	S	S	*	*			trans	51.6	125.6	138.2	0	0	0	0	0	121
1001	L	31.3	Very low	29.1	Very low	176 Å²	176	142.4 Å²	142.4	92%	0.921	78%	0.78	S	S	*	*			trans	-161.3	120.6	134.6	-106.1	146.1	0	0	0	112.8
1002	T	25.7	Very low	29.2	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	79%	0.786	S	S	*	*			trans	-65.6	147.6	168	56.3	0	0	0	0	112.3
1003	S	32.8	Very low	29.4	Very low	124 Å²	124	146.3 Å²	146.3	87%	0.867	79%	0.793	S	S	*	*				-164.6	145.4	129	55.7	0	0	0	0	112.8
1004	K	28.5	Very low	29.4	Very low	191 Å²	191	143 Å²	143	83%	0.83	79%	0.792	S	S	*	*			trans	-72.6	174	-176.2	-75.2	169.1	160.8	174.3	0	113.7
1005	E	30.9	Very low	29.6	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	79%	0.788	S	S	*	*			trans	86.9	140.6	151.4	-79.1	-180	173.9	0	0	116.3
1006	N	27.8	Very low	29.9	Very low	132 Å²	132	136.8 Å²	136.8	71%	0.706	79%	0.79	S	S	*	*			cis	-176.3	148.7	-21	-129.2	-14	0	0	0	104.1
1007	V	29.1	Very low	30.1	Very low	121 Å²	121	140.2 Å²	140.2	73%	0.733	79%	0.793	S	S	*	*			trans	70.1	115.2	147.4	-176.9	0	0	0	0	115.3
1008	S	33.3	Very low	30.2	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	80%	0.803	S	S	*	*				174.7	138.4	56	25.6	0	0	0	0	111.8
1009	N	28.8	Very low	30.2	Very low	161 Å²	161	145.7 Å²	145.7	86%	0.861	80%	0.798	S	S	*	*			trans	28.8	124.7	132.4	-60.5	-27.1	0	0	0	120.8
1010	A	32.3	Very low	30.5	Very low	88 Å²	88	150.9 Å²	150.9	73%	0.727	80%	0.802	S	S	*	*				155	132	90.9	0	0	0	0	0	114.7
1011	R	30.7	Very low	30.7	Very low	232 Å²	232	152.8 Å²	152.8	88%	0.875	80%	0.804	S	S	*	*			trans	64.5	108.3	141.3	-71.2	175.6	172.8	173.7	-2.7	119.4
1012	Q	28.4	Very low	30.6	Very low	181 Å²	181	149.7 Å²	149.7	85%	0.846	80%	0.795	S	S	*	*				45.6	119.1	85.1	-81.4	-162.6	-21.4	0	0	115.6
1013	V	33.1	Very low	30.9	Very low	147 Å²	147	149.4 Å²	149.4	89%	0.891	80%	0.795	S	S	*	*				-164	136.7	122.7	169.8	0	0	0	0	110.5
1014	N	27.4	Very low	30.6	Very low	159 Å²	159	155 Å²	155	85%	0.85	80%	0.797	S	S	*	*			trans	-79.2	164.4	179	-74	-34.8	0	0	0	115.4
1015	G	32.2	Very low	30.6	Very low	71 Å²	71	151.6 Å²	151.6	73%	0.732	80%	0.797	S	S	*	*			trans	162	88.7	151.7	0	0	0	0	0	113.4
1016	H	31.9	Very low	30.5	Very low	178 Å²	178	147.9 Å²	147.9	82%	0.824	80%	0.796	S	S	*	*				64.6	112	94.9	-91.6	-50.4	0	0	0	118.3
1017	H	35.3	Very low	30.4	Very low	186 Å²	186	150.3 Å²	150.3	86%	0.861	81%	0.808	S	S	*	*			trans	-175.8	96.3	138.7	-95.6	-64.1	0	0	0	108.2
1018	Q	30.4	Very low	30.3	Very low	176 Å²	176	151 Å²	151	82%	0.822	81%	0.807	S	S	*	*				69.4	97.5	77.9	-128.5	-179.3	12.1	0	0	116.1
1019	E	31.7	Very low	30	Very low	151 Å²	151	152.8 Å²	152.8	71%	0.706	82%	0.816	S	S	*	*			trans	-160.6	121.6	135.4	-164.2	134.3	-141.1	0	0	113
1020	R	32.4	Very low	29.9	Very low	209 Å²	209	152.8 Å²	152.8	79%	0.789	81%	0.813	S	S	*	*			trans	20.3	143.6	149.9	-65.6	-178.9	-113	-139.8	-1.5	121.3
1021	V	31	Very low	29.7	Very low	132 Å²	132	158.8 Å²	158.8	80%	0.8	82%	0.823	S	S	*	*			cis	-173.4	159.7	9.7	139.5	0	0	0	0	107.3
1022	P	29	Very low	29.7	Very low	110 Å²	110	152.1 Å²	152.1	71%	0.714	81%	0.809	S	S	*	*			trans	-114.6	-163.4	-147.4	45	-32.2	0	0	0	114.6
1023	P	32.5	Very low	30	Very low	121 Å²	121	147.6 Å²	147.6	79%	0.786	79%	0.793	S	S	*	*			cis	-134.3	172.2	-1.2	39.6	-19.4	0	0	0	117.8
1024	R	26.2	Very low	30.1	Very low	243 Å²	243	143.2 Å²	143.2	92%	0.917	77%	0.767	S	S	*	*			trans	-42.4	134.4	175.7	-71.9	170.6	165.9	159.7	-5.7	116.6
1025	S	27.9	Very low	30.3	Very low	119 Å²	119	142.4 Å²	142.4	83%	0.832	75%	0.753	S	S	*	*			trans	-162.3	127	148.3	-68.8	0	0	0	0	109.7
1026	A	28.7	Very low	30.7	Very low	93 Å²	93	140.9 Å²	140.9	77%	0.769	74%	0.738	S	S	*	*			trans	54.1	106.4	165.6	0	0	0	0	0	120	N1028	A1026-N1028 PolarHBondContact O-N 3.3Å
1027	L	26	Very low	31.2	Very low	183 Å²	183	136.2 Å²	136.2	96%	0.958	72%	0.716	S	S	*	*			trans	-70.5	112.7	153.9	-100.1	89.3	0	0	0	108.3
1028	N	27	Very low	31.6	Very low	135 Å²	135	133 Å²	133	72%	0.722	70%	0.696	S	S	*	*			trans	-97.1	132.1	160.5	-89.9	-10.9	0	0	0	108.8	A1026 M1030	A1026-N1028 PolarHBondContact O-N 3.3Å; N1028-M1030 PolarHBondContact O-N 2.95Å
1029	P	28.1	Very low	32.1	Very low	133 Å²	133	130.6 Å²	130.6	86%	0.864	68%	0.68	S	S	*	*			trans	-78.7	98.4	168.1	31.3	-26.6	0	0	0	107.9
1030	M	26.5	Very low	32.6	Very low	161 Å²	161	131 Å²	131	79%	0.793	68%	0.682	S	S	*	*			trans	-113.1	77.1	-176.4	-161.7	179.1	-162.9	0	0	109.8	N1028	N1028-M1030 PolarHBondContact O-N 2.95Å
1031	F	28.1	Very low	33.3	Very low	214 Å²	214	129.4 Å²	129.4	94%	0.939	68%	0.676	S	S	*	*			trans	-150	69.4	163.1	-70.2	-70	0	0	0	109.8
1032	T	30.5	Very low	33.8	Very low	93 Å²	93	128.1 Å²	128.1	57%	0.571	66%	0.663	S	S	*	*			trans	-126.1	105.9	157.5	56.2	0	0	0	0	105.5
1033	T	35.1	Very low	33.9	Very low	85 Å²	85	127.5 Å²	127.5	52%	0.521	66%	0.657	S	S	.	*			trans	-83.1	111.8	164.7	52.4	0	0	0	0	106.5
1034	T	33.9	Very low	34.1	Very low	56 Å²	56	127.8 Å²	127.8	34%	0.344	66%	0.659	S	S	.	*			trans	-65.9	155.4	168.3	57.9	0	0	0	0	109.6	G1036 E1037 W1038	T1034-G1036 PolarHBondContact O-N 3.31Å; T1034-G1036 VanDerWaalsContact O-N 3.15Å; T1034-E1037 PolarHBondContact N-OE2 2.63Å; T1034-E1037 PolarHBondContact O-N 2.91Å; T1034-E1037 WeakPolarHBondContact OG1-CB 3.24Å; T1034-E1037 VanDerWaalsContact OG1-CD 3.26Å; T1034-E1037 WeakPolarHBondContact OG1-CG 2.89Å; T1034-E1037 PolarHBondContact OG1-N 2.98Å; T1034-E1037 PolarHBondContact OG1-OE2 3.07Å; T1034-W1038 PolarHBondContact O-N 3.15Å
1035	Y	32.7	Very low	34.5	Very low	142 Å²	142	125.9 Å²	125.9	56%	0.557	66%	0.661	S	S	*	*	H	α-helix	trans	-52.8	-35.8	176.7	179.1	-103.9	0	0	0	112.1	W1038 R1039	Y1035-W1038 HydrophobicContact CD2-CE3 4.45Å; Y1035-W1038 HydrophobicContact CE2-CE3 4.44Å; Y1035-W1038 HydrophobicContact CE2-CZ3 4.29Å; Y1035-R1039 WeakPolarHBondContact O-CB 3.18Å; Y1035-R1039 PolarHBondContact O-N 3.15Å
1036	G	40	Very low	34.9	Very low	39 Å²	39	123.5 Å²	123.5	40%	0.402	66%	0.655	S	S	.	*	H	α-helix	trans	-65.5	-44.4	172.6	0	0	0	0	0	113.9	T1034 W1038 R1039 E1040	T1034-G1036 PolarHBondContact O-N 3.31Å; T1034-G1036 VanDerWaalsContact O-N 3.15Å; G1036-W1038 VanDerWaalsContact C-N 3.35Å; G1036-W1038 PolarHBondContact O-N 3.23Å; G1036-R1039 WeakPolarHBondContact O-CB 3.32Å; G1036-R1039 PolarHBondContact O-N 3.25Å; G1036-E1040 PolarHBondContact O-N 3.4Å; G1036-E1040 VanDerWaalsContact O-N 3.15Å
1037	E	42.3	Very low	35.1	Very low	79 Å²	79	127.2 Å²	127.2	37%	0.369	66%	0.661	S	S	.	*	H	α-helix	trans	-72.6	-24.9	179	-72.3	168.1	139.3	0	0	113.6	T1034 R1041	T1034-E1037 PolarHBondContact N-OE2 2.63Å; T1034-E1037 PolarHBondContact O-N 2.91Å; T1034-E1037 WeakPolarHBondContact OG1-CB 3.24Å; T1034-E1037 VanDerWaalsContact OG1-CD 3.26Å; T1034-E1037 WeakPolarHBondContact OG1-CG 2.89Å; T1034-E1037 PolarHBondContact OG1-N 2.98Å; T1034-E1037 PolarHBondContact OG1-OE2 3.07Å; E1037-R1041 WeakPolarHBondContact O-CD 3.18Å; E1037-R1041 VanDerWaalsContact O-CG 3.26Å; E1037-R1041 WeakPolarHBondContact O-CG 3.47Å
1038	W	43.6	Very low	35.6	Very low	119 Å²	119	124.1 Å²	124.1	45%	0.451	65%	0.652	S	S	.	*	H	α-helix	trans	-71.2	-46.6	168.5	174.9	79.6	0	0	0	110.4	T1034 Y1035 G1036 E1040 R1041 I1042	T1034-W1038 PolarHBondContact O-N 3.15Å; Y1035-W1038 HydrophobicContact CD2-CE3 4.45Å; Y1035-W1038 HydrophobicContact CE2-CE3 4.44Å; Y1035-W1038 HydrophobicContact CE2-CZ3 4.29Å; G1036-W1038 VanDerWaalsContact C-N 3.35Å; G1036-W1038 PolarHBondContact O-N 3.23Å; W1038-E1040 VanDerWaalsContact C-N 3.28Å; W1038-E1040 PolarHBondContact O-N 2.77Å; W1038-R1041 PolarHBondContact O-N 2.81Å; W1038-I1042 HydrophobicContact CD2-CD1 3.6Å; W1038-I1042 HydrophobicContact CD2-CG1 4.38Å; W1038-I1042 HydrophobicContact CE3-CD1 3.74Å; W1038-I1042 HydrophobicContact CG-CD1 4.39Å; W1038-I1042 HydrophobicContact CH2-CD1 3.45Å; W1038-I1042 VanDerWaalsContact CH2-CD1 3.45Å; W1038-I1042 HydrophobicContact CZ2-CD1 3.3Å; W1038-I1042 HydrophobicContact CZ3-CD1 3.67Å; W1038-I1042 WeakPolarHBondContact O-CG1 3.4Å
1039	R	40.4	Very low	35.9	Very low	125 Å²	125	126.4 Å²	126.4	47%	0.472	66%	0.658	S	S	.	*	H	α-helix	trans	-55.5	-38.9	178.7	-166.8	-177.3	-158	-171.3	2.9	113.6	E132 Y1035 G1036 R1041 T1043	E132-R1039 IonicContact OE1-CZ 3.79Å; E132-R1039 VanDerWaalsContact OE1-CZ 3.25Å; E132-R1039 IonicContact OE1-NE 2.8Å; E132-R1039 PolarHBondContact OE1-NE 3.13Å; E132-R1039 IonicContact OE1-NH2 3.53Å; E132-R1039 PolarHBondContact OE1-NH2 2.91Å; E132-R1039 IonicContact OE2-CZ 3.69Å; E132-R1039 IonicContact OE2-NH1 3.31Å; E132-R1039 IonicContact OE2-NH2 2.71Å; E132-R1039 PolarHBondContact OE2-NH2 2.83Å; Y1035-R1039 WeakPolarHBondContact O-CB 3.18Å; Y1035-R1039 PolarHBondContact O-N 3.15Å; G1036-R1039 WeakPolarHBondContact O-CB 3.32Å; G1036-R1039 PolarHBondContact O-N 3.25Å; R1039-R1041 VanDerWaalsContact C-N 3.33Å; R1039-T1043 PolarHBondContact O-OG1 3.01Å; R1039-T1043 VanDerWaalsContact O-OG1 3.11Å
1040	E	43.1	Very low	36.4	Very low	160 Å²	160	125.9 Å²	125.9	75%	0.748	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-17.9	177.7	-70.5	-171.6	175.6	0	0	114	G1036 W1038	G1036-E1040 PolarHBondContact O-N 3.4Å; G1036-E1040 VanDerWaalsContact O-N 3.15Å; W1038-E1040 VanDerWaalsContact C-N 3.28Å; W1038-E1040 PolarHBondContact O-N 2.77Å
1041	R	45.9	Very low	37	Very low	176 Å²	176	123.5 Å²	123.5	66%	0.664	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-13.7	-177.6	-73.5	177	-166.3	-177	7	114.7	E1037 W1038 R1039	E1037-R1041 WeakPolarHBondContact O-CD 3.18Å; E1037-R1041 VanDerWaalsContact O-CG 3.26Å; E1037-R1041 WeakPolarHBondContact O-CG 3.47Å; W1038-R1041 PolarHBondContact O-N 2.81Å; R1039-R1041 VanDerWaalsContact C-N 3.33Å
1042	I	42.3	Very low	37.2	Very low	105 Å²	105	119 Å²	119	54%	0.538	64%	0.644	S	S	.	*	S	Bend	trans	-106.7	1.2	-179.3	20	165.7	0	0	0	112.9	W1038	W1038-I1042 HydrophobicContact CD2-CD1 3.6Å; W1038-I1042 HydrophobicContact CD2-CG1 4.38Å; W1038-I1042 HydrophobicContact CE3-CD1 3.74Å; W1038-I1042 HydrophobicContact CG-CD1 4.39Å; W1038-I1042 HydrophobicContact CH2-CD1 3.45Å; W1038-I1042 VanDerWaalsContact CH2-CD1 3.45Å; W1038-I1042 HydrophobicContact CZ2-CD1 3.3Å; W1038-I1042 HydrophobicContact CZ3-CD1 3.67Å; W1038-I1042 WeakPolarHBondContact O-CG1 3.4Å
1043	T	31.8	Very low	37.5	Very low	96 Å²	96	126.3 Å²	126.3	59%	0.589	66%	0.663	S	S	*	*	S	Bend	trans	-84.4	129.3	173.1	-2	0	0	0	0	110.5	R1039 E1045	R1039-T1043 PolarHBondContact O-OG1 3.01Å; R1039-T1043 VanDerWaalsContact O-OG1 3.11Å; T1043-E1045 PolarHBondContact O-N 2.55Å
1044	P	36.1	Very low	37.3	Very low	127 Å²	127	127.1 Å²	127.1	83%	0.825	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-70	124.2	175.4	-13.1	26.9	0	0	0	111.5
1045	E	35.6	Very low	37.3	Very low	204 Å²	204	128.2 Å²	128.2	95%	0.953	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-71.2	136	171.1	-79.4	-174.1	143.1	0	0	113.1	T1043	T1043-E1045 PolarHBondContact O-N 2.55Å
1046	G	35.6	Very low	37.3	Very low	69 Å²	69	125 Å²	125	71%	0.711	71%	0.71	S	S	*	*			trans	135.7	130.9	150.2	0	0	0	0	0	114.1
1047	L	33.1	Very low	37	Very low	170 Å²	170	132.2 Å²	132.2	89%	0.89	73%	0.733	S	S	*	*			cis	-172.8	-178.7	14.3	-89.9	156.2	0	0	0	106.2
1048	P	36.2	Very low	36.8	Very low	118 Å²	118	133.9 Å²	133.9	77%	0.766	75%	0.751	S	S	*	*				-120.1	163.4	-74	31.4	-10.7	0	0	0	114.6
1049	Q	32.8	Very low	36.3	Very low	184 Å²	184	132 Å²	132	86%	0.86	76%	0.761	S	S	*	*			trans	-61.5	166.3	-178.9	-66.7	178.1	-20.7	0	0	116.8
1050	P	39.1	Very low	36.1	Very low	121 Å²	121	133.8 Å²	133.8	79%	0.786	77%	0.774	S	S	*	*				-126.8	165.2	129	9.8	12.8	0	0	0	115
1051	P	38.2	Very low	35.7	Very low	112 Å²	112	133.1 Å²	133.1	73%	0.727	78%	0.776	S	S	*	*			trans	-98.6	174.8	-141.9	40	-37.6	0	0	0	116.4
1052	P	33.4	Very low	35	Very low	120 Å²	120	128.3 Å²	128.3	78%	0.779	77%	0.774	S	S	*	*			trans	-96	157.1	-157.5	37.5	-32	0	0	0	114.3
1053	Y	35.5	Very low	34.7	Very low	245 Å²	245	129.8 Å²	129.8	96%	0.961	79%	0.788	S	S	*	*			trans	-121	138.9	166.6	-101.8	-87.2	0	0	0	112.2
1054	A	32.5	Very low	34.5	Very low	103 Å²	103	129.5 Å²	129.5	85%	0.851	80%	0.795	S	S	*	*			trans	-97.4	166.1	-165.2	0	0	0	0	0	114.5
1055	G	33.3	Very low	34.2	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	80%	0.802	S	S	*	*			trans	126.9	105.1	163	0	0	0	0	0	110.9
1056	G	32.3	Very low	33.6	Very low	73 Å²	73	134 Å²	134	75%	0.753	80%	0.796	S	S	*	*				94.9	129.5	66.2	0	0	0	0	0	107.8
1057	H	34.7	Very low	33.4	Very low	191 Å²	191	141.9 Å²	141.9	88%	0.884	81%	0.806	S	S	*	*			cis	-163.3	172.3	15.7	-107.1	-73.5	0	0	0	109
1058	P	36.9	Very low	33	Very low	114 Å²	114	139.9 Å²	139.9	74%	0.74	80%	0.796	S	S	*	*			trans	-114.5	179.8	-158.5	43.3	-35.2	0	0	0	115.8
1059	A	33.3	Very low	32.7	Very low	81 Å²	81	139.2 Å²	139.2	67%	0.669	79%	0.794	S	S	*	*			trans	146.5	125.4	142.3	0	0	0	0	0	110
1060	H	36.9	Very low	32.3	Very low	162 Å²	162	140.6 Å²	140.6	75%	0.75	79%	0.792	S	S	*	*				-170.8	144.3	68.7	-100	-88.4	0	0	0	112.7
1061	D	33.6	Very low	31.8	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	80%	0.795	S	S	*	*			trans	55	134.3	142.1	-68	-38	0	0	0	120.8
1062	A	32.6	Very low	31.1	Very low	75 Å²	75	146 Å²	146	62%	0.62	80%	0.797	S	S	*	*			cis	-167	152.9	17.3	0	0	0	0	0	112.8
1063	T	34.7	Very low	30.8	Very low	135 Å²	135	146.1 Å²	146.1	83%	0.828	80%	0.798	S	S	*	*			trans	57.9	104.3	150.6	56.8	0	0	0	0	120.1
1064	A	27.8	Very low	30.3	Very low	90 Å²	90	141 Å²	141	74%	0.744	78%	0.778	S	S	*	*				78.3	103.9	66.1	0	0	0	0	0	115.8
1065	Y	29.5	Very low	30.1	Very low	247 Å²	247	138.9 Å²	138.9	97%	0.969	75%	0.754	S	S	*	*				-168.6	134.7	124.2	-101.6	-75.8	0	0	0	110.2
1066	Q	24.6	Very low	29.8	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	74%	0.741	S	S	*	*			trans	-103.2	130.1	-176.7	-176.2	-179	0.9	0	0	107.8
1067	Y	29.9	Very low	29.5	Very low	235 Å²	235	137.7 Å²	137.7	92%	0.922	71%	0.712	S	S	*	*			trans	-151.4	133.7	155.6	-133.9	-91.2	0	0	0	111.9
1068	D	25	Very low	29.1	Very low	128 Å²	128	133 Å²	133	68%	0.684	70%	0.698	S	S	*	*			trans	-95.3	129.1	-177	-177.3	14.5	0	0	0	107.9
1069	S	29.3	Very low	28.9	Very low	103 Å²	103	130.7 Å²	130.7	72%	0.72	68%	0.683	S	S	*	*			trans	178.6	118.1	147.3	59.5	0	0	0	0	112.6
1070	W	24.8	Very low	28.8	Very low	214 Å²	214	130 Å²	130	81%	0.811	67%	0.667	S	S	*	*			trans	-46	124.3	159.9	-64.4	74.7	0	0	0	113.5
1071	Q	28.1	Very low	28.4	Very low	183 Å²	183	125 Å²	125	86%	0.855	65%	0.651	S	S	*	*			trans	-165.2	117.8	150.1	-109	169.2	2.2	0	0	109.8
1072	Q	24	Very low	28.1	Very low	162 Å²	162	121.1 Å²	121.1	76%	0.757	63%	0.63	S	S	*	*			trans	-63.4	137.6	178.2	-63.4	173	-33.7	0	0	111.4
1073	P	26.7	Very low	27.9	Very low	124 Å²	124	119.4 Å²	119.4	81%	0.805	61%	0.613	S	S	*	*			trans	-109.5	128.4	161.4	31.6	-18.6	0	0	0	111.2
1074	Y	26	Very low	27.4	Very low	137 Å²	137	121.4 Å²	121.4	54%	0.537	61%	0.607	S	S	.	*			trans	-71.1	149	172.9	-123.2	-96.2	0	0	0	111	M455	M455-Y1074 WeakPolarHBondContact CG-OH 3.27Å; M455-Y1074 HydrophobicContact SD-CE2 3.54Å; M455-Y1074 VanDerWaalsContact SD-CE2 3.54Å; M455-Y1074 VanDerWaalsContact SD-CZ 3.57Å; M455-Y1074 PolarHBondContact SD-OH 3.4Å
1075	V	27.5	Very low	27.3	Very low	58 Å²	58	126.8 Å²	126.8	35%	0.352	61%	0.61	S	S	.	*			trans	-96.6	108.3	169.3	-179.2	0	0	0	0	107.8
1076	T	27.8	Very low	27.2	Very low	87 Å²	87	119 Å²	119	53%	0.534	59%	0.591	S	S	.	*			trans	-88.4	127.4	171.4	46.3	0	0	0	0	109.5
1077	Y	26.6	Very low	27.1	Very low	40 Å²	40	118 Å²	118	16%	0.157	59%	0.59	C	S	.	*			trans	-75.9	143.9	172.5	-69	-87.5	0	0	0	110.1	T1079 D1080	Y1077-T1079 PolarHBondContact O-N 2.79Å; Y1077-D1080 PolarHBondContact O-N 3.42Å; Y1077-D1080 VanDerWaalsContact O-N 3.16Å
1078	P	25.6	Very low	27	Very low	92 Å²	92	111.5 Å²	111.5	60%	0.597	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	9.7	-179.2	-19.4	31.7	0	0	0	116.1
1079	T	32.1	Very low	27.2	Very low	66 Å²	66	108.9 Å²	108.9	41%	0.405	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.2	-0.4	178.4	48.6	0	0	0	0	113.3	V214 Y1077 S1081	V214-T1079 HydrophobicContact CG2-CG2 4Å; Y1077-T1079 PolarHBondContact O-N 2.79Å; T1079-S1081 PolarHBondContact O-N 3.03Å
1080	D	32.6	Very low	27.1	Very low	66 Å²	66	110.2 Å²	110.2	35%	0.353	58%	0.579	S	S	.	*			trans	-91.8	88.1	177.9	-161.4	0.8	0	0	0	110	Y1077 L1082 S1083	Y1077-D1080 PolarHBondContact O-N 3.42Å; Y1077-D1080 VanDerWaalsContact O-N 3.16Å; D1080-L1082 PolarHBondContact O-N 2.8Å; D1080-L1082 PolarHBondContact OD1-N 2.81Å; D1080-S1083 WeakPolarHBondContact OD2-CB 3.44Å; D1080-S1083 PolarHBondContact OD2-OG 3.43Å
1081	S	28.1	Very low	27.3	Very low	58 Å²	58	108.9 Å²	108.9	41%	0.406	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	6.8	176.7	72.2	0	0	0	0	112.8	E714 T1079	E714-S1081 CarbonylContact C-O 3.57Å; E714-S1081 WeakPolarHBondContact CA-O 3.2Å; E714-S1081 CarbonylContact O-C 3.51Å; E714-S1081 WeakPolarHBondContact O-CB 3.49Å; E714-S1081 PolarHBondContact O-OG 2.86Å; T1079-S1081 PolarHBondContact O-N 3.03Å
1082	L	26.5	Very low	27.2	Very low	65 Å²	65	110 Å²	110	34%	0.34	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.5	9.8	-162.2	-88.1	169.8	0	0	0	113.9	K453 E714 D1080	K453-L1082 HydrophobicContact CD-CB 3.88Å; K453-L1082 WeakPolarHBondContact CD-O 3.34Å; K453-L1082 VanDerWaalsContact CE-CD2 3.49Å; K453-L1082 WeakPolarHBondContact CE-O 3.36Å; K453-L1082 VanDerWaalsContact NZ-CB 3.25Å; K453-L1082 PolarHBondContact NZ-O 2.79Å; E714-L1082 HydrophobicContact CB-CD2 3.72Å; E714-L1082 HydrophobicContact CG-CD2 3.94Å; E714-L1082 WeakPolarHBondContact OE2-CD2 2.95Å; D1080-L1082 PolarHBondContact O-N 2.8Å; D1080-L1082 PolarHBondContact OD1-N 2.81Å
1083	S	28.1	Very low	27.5	Very low	38 Å²	38	111.1 Å²	111.1	27%	0.266	59%	0.592	S	S	.	*			trans	-128.3	64.7	-179.1	54.8	0	0	0	0	114.9	D1080	D1080-S1083 WeakPolarHBondContact OD2-CB 3.44Å; D1080-S1083 PolarHBondContact OD2-OG 3.43Å
1084	Y	25.4	Very low	27.8	Very low	177 Å²	177	108.7 Å²	108.7	69%	0.694	59%	0.589	S	S	*	*			trans	-110.1	91.8	160.2	-93.6	-86.9	0	0	0	111.2	I712	I712-Y1084 HydrophobicContact CD1-CD1 4.21Å; I712-Y1084 HydrophobicContact CD1-CD2 4.49Å; I712-Y1084 HydrophobicContact CD1-CG 4.17Å
1085	Y	25	Very low	27.9	Very low	204 Å²	204	111 Å²	111	80%	0.8	61%	0.605	S	S	*	*			trans	-81.4	116.8	156.8	-80.8	-81	0	0	0	109	L1087	Y1085-L1087 PolarHBondContact O-N 3.28Å
1086	S	26.8	Very low	28.1	Very low	83 Å²	83	117.3 Å²	117.3	58%	0.58	63%	0.63	S	S	*	*			trans	-61.4	119.3	169.6	64.7	0	0	0	0	110.3	N1088	S1086-N1088 PolarHBondContact O-N 3.24Å
1087	L	23.7	Very low	28.4	Very low	157 Å²	157	118.5 Å²	118.5	82%	0.822	64%	0.642	S	S	*	*	S	Bend	trans	-62.8	97.7	160.8	-78.7	161.4	0	0	0	108.5	Y1085	Y1085-L1087 PolarHBondContact O-N 3.28Å
1088	N	27.4	Very low	28.7	Very low	99 Å²	99	121.4 Å²	121.4	53%	0.529	67%	0.668	S	S	.	*			trans	-176.3	84.9	148.3	-97.1	-18.3	0	0	0	111.5	A767 S1086	A767-N1088 WeakPolarHBondContact CB-ND2 3.47Å; S1086-N1088 PolarHBondContact O-N 3.24Å
1089	G	28.6	Very low	29.2	Very low	74 Å²	74	121.7 Å²	121.7	76%	0.763	67%	0.672	S	S	*	*			trans	-119.4	83.7	164.5	0	0	0	0	0	109.5	Q1091	G1089-Q1091 PolarHBondContact O-N 3.33Å
1090	T	27.1	Very low	29.3	Very low	130 Å²	130	128.5 Å²	128.5	80%	0.798	70%	0.697	S	S	*	*			trans	-58.8	111.9	170.2	46.4	0	0	0	0	110.1	K1092	T1090-K1092 PolarHBondContact O-N 3.12Å
1091	Q	29.3	Very low	29.6	Very low	186 Å²	186	129 Å²	129	87%	0.869	72%	0.717	S	S	*	*			trans	-80.1	113.8	161.7	-85.3	-169	-10.8	0	0	109.3	G1089 M1093	G1089-Q1091 PolarHBondContact O-N 3.33Å; Q1091-M1093 PolarHBondContact O-N 3.4Å; Q1091-M1093 VanDerWaalsContact O-N 3.14Å
1092	K	27.3	Very low	30	Very low	206 Å²	206	140 Å²	140	90%	0.896	76%	0.758	S	S	*	*			trans	-58.3	107.4	161.1	-74.7	177.6	173.5	176.4	0	108.6	T1090	T1090-K1092 PolarHBondContact O-N 3.12Å
1093	M	30.3	Very low	30.1	Very low	187 Å²	187	143.8 Å²	143.8	92%	0.921	78%	0.779	S	S	*	*			trans	-79.4	118.9	157.6	-100.6	-172.4	-177.2	0	0	108.5	Q1091	Q1091-M1093 PolarHBondContact O-N 3.4Å; Q1091-M1093 VanDerWaalsContact O-N 3.14Å
1094	G	31.5	Very low	30.3	Very low	73 Å²	73	149.3 Å²	149.3	75%	0.753	81%	0.806	S	S	*	*			trans	-63.7	150.6	169.8	0	0	0	0	0	112.1
1095	E	28.3	Very low	30.5	Very low	186 Å²	186	147.8 Å²	147.8	87%	0.869	81%	0.812	S	S	*	*			trans	-40.5	137.1	177	-62.4	163.4	127.1	0	0	114.9
1096	Q	32.7	Very low	30.8	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	81%	0.812	S	S	*	*				-175	113.5	112.4	-98.9	175.5	13.2	0	0	112.9
1097	S	33.3	Very low	31.1	Very low	113 Å²	113	148.3 Å²	148.3	79%	0.79	83%	0.827	S	S	*	*				64.8	112.3	127.9	-168.8	0	0	0	0	121.6
1098	S	33.3	Very low	31.6	Very low	100 Å²	100	147.7 Å²	147.7	70%	0.699	83%	0.827	S	S	*	*				80.3	101.3	125.7	-179.5	0	0	0	0	119.8
1099	S	35.3	Very low	31.9	Very low	98 Å²	98	151.2 Å²	151.2	69%	0.685	85%	0.849	S	S	*	*				154.1	136.3	87.7	54.9	0	0	0	0	112.9
1100	K	35.6	Very low	32.1	Very low	210 Å²	210	157.2 Å²	157.2	91%	0.913	86%	0.855	S	S	*	*			trans	34	123.5	139.9	-59.1	178.4	178.5	178.3	0	116.9
1101	G	38.2	Very low	32.6	Very low	76 Å²	76	159.4 Å²	159.4	78%	0.784	86%	0.86	S	S	*	*			cis	134.8	113	26.9	0	0	0	0	0	108.2
1102	K	35.8	Very low	32.9	Very low	289 Å²	289	157 Å²	157	100%	1.257	86%	0.859	S	S	*	*			trans	-168.2	0	143.6	-114.4	-174	-177.3	-176.6	0	108.6

Retrieved 1,102 of 1,102 residues in 318.6 ms (Link to these results)

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