A0A077Z7J7_TRITR Loading...

PAN 1 and Zona pellucida domain containing protei n

AlphaFold DB , UniProt , Accession A0A077Z7J7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,117 aa.

						>A0A077Z7J7_TRITR|A0A077Z7J7
MTHTQKEEEAEEESSMATEAPPHQVAEENVKPARPGALAIRNLVHLFISAVQSSCSSDETPIFILHQGKSLSESSSAKTQSGKTIEECSYMCKTNKDESGGDISCAGYEYDPQAKMCRLVGDVNLESLRDSSGPAFYQKGCVKSNQACSSPFAFELISQKILVGYAKQIVSSASMQECWKSCLESVQSFGFPCQSAMFYPDDKDCILNTETKYQRPDLFVEENKDSVVYFDSNCAGASCSGDSVMQYTKTEGAKIDQGVKLDGLSFLACEYLCTHRIGREGSYNCKSFMYNEASGSCILSDDRLEPMGRSKVVNAPGFDYYEKQCYTSKATCRQVPSFIRHPQHLLVGYAAYVIENVPSVTKCQDICLSPPVEAGSDFKCMSLMYYYDELDCILNTETHVNKPDLFVQESEGFKVDYFSITCLTKEEDQCPEQTSATSIRMAESQLPVTVNNTLQKISGSAASCLRSCRESFPEKCRSMNFDTTSGSCELLFTNRLSTPLIQSRSTDYFEHICIPGTISGCVYAFDHTMNKASSANVIRKLKEPTALPDCLAECLNEGQCQSVNYDNEIGACHLLEEGGATKESATMSFYSKVCGAGEMQTICNFDGMKVKVTKEEPFTGAVFVKMKYDTCRVEVKDSNTAMLHLGFPLSSIEPHKIPQPCPGGACEANLRDKRQAYQQASSYVSSPAPPVPTGAYGQPSPATQVQSAYAAGKPEVHKKGPHKLLPPPTLPIRDCGLVEFVSLFPTTRTFSIKLFFIKNNGTYKAVVVVQTNNLGIPGLVTSMDEIYEVTCDYSSVQAKKVQTEAQLHAEGPVPSNIHPRGKVELSSPVVMNMAGNGQNVLQAKLGEMLELKWEMMVQDSTLDFFVKQCVAERGDSPKSPYVSKEDGTKELVGGSAYGAKLAGCTAEMCPVERAPIVSTLKLIEDGCPTPAVAEKLMPGTVKVLSNSTKVAPLQAFRFDGSRTVRIICQLDICQGSCKPAVCNIGGREEQSYGRKKRNVLDNDIPVNLVFSSDADKIVTEEYIVPKRSSALTTFVIVDPQEEEIVKQAARQYIPHQVDGTDFIDVTSNGEEKVRVCFPKSTFVGVSSFLGMVAITQCIAIGLIMTRRSKLKKGDRLM
					

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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	39.5	Very low	38.3	Very low	232 Å²	232	150.6 Å²	150.6	100%	1.143	76%	0.757	S	S	*	*				0	128.6	0	-73.1	164.4	172.4	0	0	107.2
2	T	37.9	Very low	38.4	Very low	121 Å²	121	154.3 Å²	154.3	74%	0.742	77%	0.77	S	S	*	*			trans	40	131.6	145	53.7	0	0	0	0	120.4
3	H	39.6	Very low	38.2	Very low	157 Å²	157	156.5 Å²	156.5	73%	0.727	78%	0.777	S	S	*	*			cis	-163.3	137.8	14.5	-125.2	-70.8	0	0	0	111.6
4	T	39.4	Very low	38.1	Very low	98 Å²	98	154.2 Å²	154.2	60%	0.601	78%	0.783	S	S	*	*			trans	34	154.3	134.5	55.3	0	0	0	0	123.6
5	Q	36.8	Very low	37.8	Very low	159 Å²	159	150.9 Å²	150.9	74%	0.743	78%	0.78	S	S	*	*			cis	-179.9	-176	-16	-115.2	179.1	-48.6	0	0	109.3
6	K	42.3	Very low	37.8	Very low	162 Å²	162	153.2 Å²	153.2	70%	0.704	79%	0.789	S	S	*	*			trans	85.4	145.4	160.7	-52.1	-157.8	153.2	-73.6	0	117
7	E	38.4	Very low	37.7	Very low	109 Å²	109	148.4 Å²	148.4	51%	0.509	78%	0.777	S	S	.	*			cis	173.1	168.5	-21	-95.8	143.9	-151.6	0	0	105.1
8	E	40.3	Very low	37.5	Very low	163 Å²	163	148 Å²	148	76%	0.762	78%	0.782	S	S	*	*			cis	-153.9	-169.5	-6.2	-113.2	151.9	178.7	0	0	105.6
9	E	36.7	Very low	37.4	Very low	186 Å²	186	150.2 Å²	150.2	87%	0.869	79%	0.787	S	S	*	*			cis	-155.4	-139.3	20	-151.1	179.3	169.1	0	0	111.4
10	A	37.1	Very low	37.5	Very low	74 Å²	74	147.3 Å²	147.3	61%	0.612	79%	0.786	S	S	*	*			trans	-44.1	150.3	-179.6	0	0	0	0	0	119.6
11	E	33.8	Very low	37.6	Very low	196 Å²	196	146.2 Å²	146.2	92%	0.916	79%	0.787	S	S	*	*			cis	75.4	137.7	48	-61.2	-176.1	143.7	0	0	113.2
12	E	39.3	Very low	37.9	Very low	194 Å²	194	140.3 Å²	140.3	91%	0.907	77%	0.766	S	S	*	*				-155.2	-177.1	54.1	-161.6	175.8	-177.7	0	0	113.7
13	E	35.2	Very low	38	Very low	184 Å²	184	144 Å²	144	86%	0.86	78%	0.775	S	S	*	*			trans	-78	166.3	-173.1	-52.8	-179.5	107.4	0	0	115.6
14	S	37	Very low	37.7	Very low	124 Å²	124	145 Å²	145	87%	0.867	78%	0.78	S	S	*	*				175	177.4	81.8	-171.9	0	0	0	0	113
15	S	33.9	Very low	37.5	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	79%	0.793	S	S	*	*			trans	-123.4	148.7	-161.1	67.8	0	0	0	0	117.1
16	M	37.8	Very low	37.3	Very low	187 Å²	187	144 Å²	144	92%	0.921	79%	0.794	S	S	*	*			trans	171.9	158.4	150.1	-100.4	173.3	65.2	0	0	110.8
17	A	36.4	Very low	36.6	Very low	71 Å²	71	145.9 Å²	145.9	59%	0.587	81%	0.805	S	S	*	*			cis	-174	141.3	-37.8	0	0	0	0	0	110.1
18	T	34.1	Very low	36.4	Very low	142 Å²	142	149.4 Å²	149.4	87%	0.871	82%	0.821	S	S	*	*			trans	61.5	159.4	169	36.2	0	0	0	0	117
19	E	35.8	Very low	35.9	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.883	83%	0.827	S	S	*	*			cis	-147.2	162.5	13.4	-153.4	169.5	-160.9	0	0	111.7
20	A	38.7	Very low	35.8	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	83%	0.827	S	S	*	*			trans	-154.3	156.5	177.4	0	0	0	0	0	112.5
21	P	39.8	Very low	35.5	Very low	125 Å²	125	152.9 Å²	152.9	81%	0.812	84%	0.837	S	S	*	*			trans	-113.8	154	164	28.4	-12.8	0	0	0	113.9
22	P	45.3	Very low	35.3	Very low	109 Å²	109	149.7 Å²	149.7	71%	0.708	83%	0.833	S	S	*	*			trans	-125.1	179.9	-158.7	43.2	-30	0	0	0	115.1
23	H	40.1	Very low	34.9	Very low	198 Å²	198	145.3 Å²	145.3	92%	0.917	83%	0.83	S	S	*	*			trans	-147.9	136.4	139.5	-109	-78.3	0	0	0	111.1
24	Q	33.8	Very low	34.8	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	83%	0.83	S	S	*	*			trans	-110.6	161.4	179.7	-68.3	179.6	-38.3	0	0	111.7
25	V	35	Very low	34.6	Very low	145 Å²	145	147.1 Å²	147.1	88%	0.879	83%	0.825	S	S	*	*			trans	148	130.5	144.8	157.9	0	0	0	0	109
26	A	33.2	Very low	34.7	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	81%	0.807	S	S	*	*			cis	-160.8	149.8	-23.4	0	0	0	0	0	107.7
27	E	27.1	Very low	34.7	Very low	202 Å²	202	137.7 Å²	137.7	94%	0.944	79%	0.787	S	S	*	*			trans	-85.9	139.8	173.7	-69.7	-178.5	102.2	0	0	112
28	E	34.3	Very low	34.7	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	79%	0.791	S	S	*	*			trans	-131.3	144.2	162.9	-169.8	168.8	-157.6	0	0	110.7	V30	E28-V30 PolarHBondContact O-N 3.44Å
29	N	29.5	Very low	35.1	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	77%	0.77	S	S	*	*			trans	-70.2	122.6	-166.3	-81.9	-103.8	0	0	0	113.4
30	V	33.6	Very low	36	Very low	142 Å²	142	129 Å²	129	86%	0.861	74%	0.737	S	S	*	*			trans	-122.9	135.5	163.7	-175.7	0	0	0	0	110.7	E28	E28-V30 PolarHBondContact O-N 3.44Å
31	K	31.9	Very low	36.5	Very low	187 Å²	187	131.7 Å²	131.7	81%	0.813	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-67.1	158.7	-175.1	-75.7	165.1	178.9	168.3	0	112.6
32	P	29.3	Very low	36.9	Very low	129 Å²	129	131 Å²	131	84%	0.838	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-53.6	142.1	177.9	22.1	-35	0	0	0	112.5
33	A	31	Very low	37.3	Very low	103 Å²	103	129.9 Å²	129.9	85%	0.851	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-62.5	152.3	-177.4	0	0	0	0	0	112.6
34	R	34.1	Very low	38.1	Very low	229 Å²	229	120.5 Å²	120.5	86%	0.864	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-71	167.8	-176	-72.5	174.2	171.4	171.3	-4.1	112.4	G36	R34-G36 PolarHBondContact O-N 3.36Å
35	P	32.4	Very low	39.2	Very low	116 Å²	116	115.1 Å²	115.1	75%	0.753	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	17.3	176.6	-24.2	35.6	0	0	0	117.8
36	G	36.2	Very low	40.1	Very low	35 Å²	35	114.1 Å²	114.1	36%	0.361	63%	0.625	S	S	.	*	H	α-helix	trans	-65.7	-39.9	-171.4	0	0	0	0	0	114.5	R34 L38 A39 I40	R34-G36 PolarHBondContact O-N 3.36Å; G36-L38 PolarHBondContact O-N 2.69Å; G36-L38 VanDerWaalsContact O-N 3.17Å; G36-A39 WeakPolarHBondContact O-CB 3.33Å; G36-A39 PolarHBondContact O-N 3.18Å; G36-I40 WeakPolarHBondContact O-CG1 3.31Å; G36-I40 PolarHBondContact O-N 3.03Å
37	A	37.2	Very low	41.2	Very low	59 Å²	59	113.1 Å²	113.1	49%	0.488	60%	0.604	S	S	.	*	H	α-helix	trans	-59.5	-31.3	-177.3	0	0	0	0	0	113.4	R41	A37-R41 PolarHBondContact O-N 3.09Å
38	L	36.9	Very low	42.8	Very low	128 Å²	128	103.9 Å²	103.9	67%	0.67	56%	0.561	S	S	*	*	H	α-helix	trans	-74.1	-34.3	176	-157.9	76.1	0	0	0	112	G36 N42	G36-L38 PolarHBondContact O-N 2.69Å; G36-L38 VanDerWaalsContact O-N 3.17Å; L38-N42 PolarHBondContact O-N 2.99Å
39	A	42.6	Very low	44	Very low	53 Å²	53	95.6 Å²	95.6	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-70.5	-41	175.6	0	0	0	0	0	111.8	G36 N42 L43	G36-A39 WeakPolarHBondContact O-CB 3.33Å; G36-A39 PolarHBondContact O-N 3.18Å; A39-N42 PolarHBondContact O-N 3.16Å; A39-L43 WeakPolarHBondContact O-CG 3.43Å; A39-L43 PolarHBondContact O-N 2.81Å
40	I	52.9	Low	45.3	Very low	38 Å²	38	91.5 Å²	91.5	20%	0.195	51%	0.513	C	S	.	.	H	α-helix	trans	-60.5	-46	176.8	-66.3	166.6	0	0	0	110.6	G36 N42 L43 V44 Q159 N223 K224	G36-I40 WeakPolarHBondContact O-CG1 3.31Å; G36-I40 PolarHBondContact O-N 3.03Å; I40-N42 VanDerWaalsContact C-N 3.33Å; I40-N42 PolarHBondContact O-N 2.62Å; I40-L43 PolarHBondContact O-N 2.67Å; I40-L43 VanDerWaalsContact O-N 3.15Å; I40-V44 PolarHBondContact O-N 3.47Å; I40-Q159 VanDerWaalsContact CG2-NE2 3.27Å; I40-N223 WeakPolarHBondContact CD1-O 3.2Å; I40-K224 WeakPolarHBondContact CD1-O 3.42Å
41	R	50.3	Low	46.9	Very low	150 Å²	150	86.6 Å²	86.6	57%	0.566	48%	0.483	S	S	*	.	H	α-helix	trans	-57.9	-41.5	177.4	-80.3	-174	169.4	-168.8	-4.9	113	A37 H45 E221	A37-R41 PolarHBondContact O-N 3.09Å; R41-H45 PolarHBondContact O-CD2 3.26Å; R41-E221 IonicContact NH2-OE2 2.71Å
42	N	48	Very low	48.9	Very low	111 Å²	111	80.8 Å²	80.8	59%	0.594	46%	0.458	S	S	*	.	H	α-helix	trans	-70.7	-32.7	177.5	-70.8	6.2	0	0	0	112.9	L38 A39 I40	L38-N42 PolarHBondContact O-N 2.99Å; A39-N42 PolarHBondContact O-N 3.16Å; I40-N42 VanDerWaalsContact C-N 3.33Å; I40-N42 PolarHBondContact O-N 2.62Å
43	L	53.7	Low	51.3	Low	85 Å²	85	76.4 Å²	76.4	45%	0.445	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-36.1	179.5	-79.6	164.8	0	0	0	113.1	A39 I40 H45 L46 F47	A39-L43 WeakPolarHBondContact O-CG 3.43Å; A39-L43 PolarHBondContact O-N 2.81Å; I40-L43 PolarHBondContact O-N 2.67Å; I40-L43 VanDerWaalsContact O-N 3.15Å; L43-H45 VanDerWaalsContact C-N 3.28Å; L43-H45 PolarHBondContact O-N 2.87Å; L43-L46 HydrophobicContact CD2-CD1 4.36Å; L43-L46 WeakPolarHBondContact O-CB 3.38Å; L43-L46 PolarHBondContact O-N 2.89Å; L43-L46 VanDerWaalsContact O-N 3.08Å; L43-F47 HydrophobicContact CB-CE2 4.42Å; L43-F47 WeakPolarHBondContact O-CD2 3.32Å
44	V	56.8	Low	53.8	Low	1 Å²	1	75.1 Å²	75.1	1%	0.006	42%	0.416	C	S	.	.	H	α-helix	trans	-59.4	-37.8	-178.2	179.6	0	0	0	0	112.5	I40 L46 F47 I48 Q159 V228	I40-V44 PolarHBondContact O-N 3.47Å; V44-L46 PolarHBondContact O-N 3.07Å; V44-F47 PolarHBondContact O-N 3.22Å; V44-F47 VanDerWaalsContact O-N 3.09Å; V44-I48 PolarHBondContact O-N 2.63Å; V44-Q159 HydrophobicContact CG2-CG 4.04Å; V44-V228 HydrophobicContact CG1-CG2 3.47Å; V44-V228 VanDerWaalsContact CG1-CG2 3.47Å
45	H	56.8	Low	56.4	Low	64 Å²	64	65.8 Å²	65.8	30%	0.296	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-22.3	179.2	-74.4	-89.7	0	0	0	113.7	R41 L43 L125	R41-H45 PolarHBondContact O-CD2 3.26Å; L43-H45 VanDerWaalsContact C-N 3.28Å; L43-H45 PolarHBondContact O-N 2.87Å; H45-L125 PolarHBondContact ND1-O 3.4Å
46	L	54.5	Low	59	Low	124 Å²	124	62.4 Å²	62.4	65%	0.649	36%	0.364	S	S	*	.	H	α-helix	trans	-79.6	-19.5	176.3	-72.2	157.9	0	0	0	113.5	L43 V44	L43-L46 HydrophobicContact CD2-CD1 4.36Å; L43-L46 WeakPolarHBondContact O-CB 3.38Å; L43-L46 PolarHBondContact O-N 2.89Å; L43-L46 VanDerWaalsContact O-N 3.08Å; V44-L46 PolarHBondContact O-N 3.07Å
47	F	57	Low	61.3	Low	71 Å²	71	67.2 Å²	67.2	31%	0.311	39%	0.393	S	S	.	.	H	α-helix	trans	-93.5	-16.7	174.1	-55.4	-66.8	0	0	0	112.7	L43 V44 S49 P200	L43-F47 HydrophobicContact CB-CE2 4.42Å; L43-F47 WeakPolarHBondContact O-CD2 3.32Å; V44-F47 PolarHBondContact O-N 3.22Å; V44-F47 VanDerWaalsContact O-N 3.09Å; F47-S49 PolarHBondContact O-N 2.6Å; F47-P200 HydrophobicContact CB-CB 3.75Å; F47-P200 HydrophobicContact CB-CG 3.85Å; F47-P200 HydrophobicContact CD1-CB 3.61Å; F47-P200 HydrophobicContact CD1-CG 4.24Å; F47-P200 HydrophobicContact CD2-CB 3.9Å; F47-P200 HydrophobicContact CD2-CG 3.57Å; F47-P200 HydrophobicContact CE1-CB 4.11Å; F47-P200 HydrophobicContact CE2-CB 4.38Å; F47-P200 HydrophobicContact CE2-CG 4.12Å; F47-P200 HydrophobicContact CG-CB 3.47Å; F47-P200 VanDerWaalsContact CG-CB 3.47Å; F47-P200 HydrophobicContact CG-CG 3.62Å; F47-P200 HydrophobicContact CZ-CB 4.46Å
48	I	60.3	Low	63.7	Low	8 Å²	8	69 Å²	69	4%	0.041	39%	0.394	C	S	.	.	S	Bend	trans	-25.6	92.1	142.5	24.6	151.4	0	0	0	113.8	V44 A50 L125 L156 M175	V44-I48 PolarHBondContact O-N 2.63Å; I48-A50 PolarHBondContact O-N 2.94Å; I48-L125 HydrophobicContact CB-CD1 4.04Å; I48-L156 HydrophobicContact CD1-CD1 3.91Å; I48-L156 HydrophobicContact CD1-CD2 3.6Å; I48-L156 HydrophobicContact CD1-CG 4.44Å; I48-L156 HydrophobicContact CG1-CD1 4.5Å; I48-L156 HydrophobicContact CG2-CD1 4.01Å; I48-M175 HydrophobicContact CG2-CE 4.49Å
49	S	59	Low	66.2	Low	9 Å²	9	65 Å²	65	6%	0.063	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-47.5	125.4	-177.7	64.6	0	0	0	0	111.5	F47 V51 Q138 W179	F47-S49 PolarHBondContact O-N 2.6Å; S49-V51 PolarHBondContact O-N 3.04Å; S49-Q138 PolarHBondContact O-NE2 3.12Å; S49-W179 VanDerWaalsContact OG-CH2 3.32Å; S49-W179 WeakPolarHBondContact OG-CH2 3.25Å
50	A	58	Low	68.5	Low	80 Å²	80	64.3 Å²	64.3	66%	0.661	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-49.7	131.8	-177.7	0	0	0	0	0	111.3	I48 Q52	I48-A50 PolarHBondContact O-N 2.94Å; A50-Q52 WeakPolarHBondContact O-CG 3.5Å
51	V	65.8	Low	70.3	Confident	38 Å²	38	64 Å²	64	23%	0.23	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-70.8	131.8	-170.2	-164.9	0	0	0	0	110.3	S49 A106 V123 L125 Q138	S49-V51 PolarHBondContact O-N 3.04Å; V51-A106 HydrophobicContact CG1-CB 3.77Å; V51-A106 WeakPolarHBondContact CG1-O 2.92Å; V51-V123 HydrophobicContact CB-CB 4.3Å; V51-V123 HydrophobicContact CG1-CB 4.15Å; V51-V123 HydrophobicContact CG1-CG2 4.3Å; V51-V123 HydrophobicContact CG2-CB 4Å; V51-V123 HydrophobicContact CG2-CG1 3.96Å; V51-L125 HydrophobicContact CG2-CD1 4.32Å; V51-L125 HydrophobicContact CG2-CD2 4.32Å; V51-L125 HydrophobicContact CG2-CG 4.16Å; V51-Q138 HydrophobicContact CG1-CG 4.13Å; V51-Q138 HydrophobicContact CG2-CG 4.27Å
52	Q	75.3	Confident	72.4	Confident	65 Å²	65	57.2 Å²	57.2	30%	0.304	34%	0.337	S	S	.	.			trans	-118.6	127.9	-174.6	-59.4	-174.7	9.6	0	0	110.7	A50 C141	A50-Q52 WeakPolarHBondContact O-CG 3.5Å; Q52-C141 PolarHBondContact OE1-SG 3.03Å
53	S	77.7	Confident	74.5	Confident	38 Å²	38	52.1 Å²	52.1	27%	0.266	31%	0.31	S	S	.	.	S	Bend	trans	-78.9	-21.4	172	57.2	0	0	0	0	113.1	N95 S104 C105 K139	S53-N95 PolarHBondContact O-ND2 3.4Å; S53-N95 PolarHBondContact O-OD1 2.99Å; S53-S104 WeakPolarHBondContact CB-OG 3.3Å; S53-S104 PolarHBondContact OG-OG 3.02Å; S53-C105 WeakPolarHBondContact CA-O 3.29Å; S53-K139 PolarHBondContact O-NZ 2.64Å
54	S	84.1	Confident	76.4	Confident	76 Å²	76	48.1 Å²	48.1	53%	0.531	29%	0.289	S	S	.	.	S	Bend	trans	-141.4	133	178.5	58.6	0	0	0	0	111.3
55	C	88.1	Confident	78.2	Confident	32 Å²	32	48.1 Å²	48.1	22%	0.216	29%	0.289	C	S	.	.			trans	-86.1	163.2	170.9	-52.5	0	0	0	0	111.6	E59 P61 C141	C55-E59 HydrophobicContact CB-CB 3.71Å; C55-P61 VanDerWaalsContact SG-CA 3.55Å; C55-C141 WeakPolarHBondContact CA-SG 3.32Å; C55-C141 HydrophobicContact CB-CB 3.64Å; C55-C141 WeakPolarHBondContact CB-SG 3.27Å; C55-C141 WeakPolarHBondContact SG-CB 3.33Å; C55-C141 CovalentContact SG-SG 2.03Å; C55-C141 PolarHBondContact SG-SG 3.2Å
56	S	88.6	Confident	79.7	Confident	45 Å²	45	45.5 Å²	45.5	32%	0.315	28%	0.277	S	S	.	.			trans	-70.9	165.8	169.3	71.8	0	0	0	0	112.2	D58 E59 K143	S56-D58 WeakPolarHBondContact CB-OD1 3.37Å; S56-D58 PolarHBondContact O-N 2.66Å; S56-D58 VanDerWaalsContact O-N 3.13Å; S56-D58 PolarHBondContact OG-OD1 2.97Å; S56-E59 PolarHBondContact N-OE2 2.62Å; S56-E59 PolarHBondContact O-N 2.77Å; S56-E59 VanDerWaalsContact OG-CG 3.27Å; S56-E59 WeakPolarHBondContact OG-CG 3.39Å; S56-E59 PolarHBondContact OG-OE1 2.78Å; S56-E59 PolarHBondContact OG-OE2 2.73Å; S56-K143 PolarHBondContact OG-NZ 3.08Å
57	S	83.9	Confident	80.8	Confident	137 Å²	137	43 Å²	43	96%	0.958	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11	-178.2	54.6	0	0	0	0	115
58	D	87.9	Confident	81.8	Confident	96 Å²	96	41 Å²	41	51%	0.513	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	12.1	174.3	65.7	-52.2	0	0	0	112.7	S56 K143	S56-D58 WeakPolarHBondContact CB-OD1 3.37Å; S56-D58 PolarHBondContact O-N 2.66Å; S56-D58 VanDerWaalsContact O-N 3.13Å; S56-D58 PolarHBondContact OG-OD1 2.97Å; D58-K143 VanDerWaalsContact CG-NZ 3.31Å; D58-K143 IonicContact OD1-NZ 2.76Å; D58-K143 PolarHBondContact OD1-NZ 3.08Å; D58-K143 IonicContact OD2-NZ 2.76Å; D58-K143 PolarHBondContact OD2-NZ 3.36Å
59	E	90.2	Very high	83.1	Confident	44 Å²	44	43.4 Å²	43.4	21%	0.206	27%	0.272	C	S	.	.			trans	-119.9	133.3	178.3	-77.3	166.4	-177.4	0	0	111.7	C55 S56 C141 K143	C55-E59 HydrophobicContact CB-CB 3.71Å; S56-E59 PolarHBondContact N-OE2 2.62Å; S56-E59 PolarHBondContact O-N 2.77Å; S56-E59 VanDerWaalsContact OG-CG 3.27Å; S56-E59 WeakPolarHBondContact OG-CG 3.39Å; S56-E59 PolarHBondContact OG-OE1 2.78Å; S56-E59 PolarHBondContact OG-OE2 2.73Å; E59-C141 HydrophobicContact CB-CB 4.14Å; E59-C141 HydrophobicContact CG-CB 4.43Å; E59-C141 WeakPolarHBondContact OE2-CB 3.45Å; E59-K143 HydrophobicContact CG-CD 4.32Å; E59-K143 HydrophobicContact CG-CG 3.44Å; E59-K143 VanDerWaalsContact CG-CG 3.44Å; E59-K143 WeakPolarHBondContact OE1-CE 3.37Å; E59-K143 IonicContact OE1-NZ 3.32Å; E59-K143 PolarHBondContact OE1-NZ 3.16Å
60	T	89.8	Confident	84.3	Confident	38 Å²	38	44.1 Å²	44.1	23%	0.233	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127.2	173.2	-57.3	0	0	0	0	109.7	I62 V142 S144 A147	T60-I62 PolarHBondContact O-N 2.84Å; T60-V142 PolarHBondContact N-O 3.04Å; T60-V142 PolarHBondContact O-N 2.85Å; T60-S144 WeakPolarHBondContact CB-O 3.48Å; T60-S144 PolarHBondContact OG1-O 2.9Å; T60-A147 HydrophobicContact CG2-CB 3.89Å
61	P	91.3	Very high	85.5	Confident	33 Å²	33	40.7 Å²	40.7	21%	0.214	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	128	170.2	26.3	-33.3	0	0	0	111.2	C55 K93 G140	C55-P61 VanDerWaalsContact SG-CA 3.55Å; P61-K93 HydrophobicContact CB-CG 4.26Å; P61-K93 HydrophobicContact CG-CG 3.77Å; P61-G140 WeakPolarHBondContact CA-O 3.45Å
62	I	92.9	Very high	85.7	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	163.9	175.7	54.4	166.4	0	0	0	110	T60 I64 G140 V142 A147 A153 F154 W179	T60-I62 PolarHBondContact O-N 2.84Å; I62-I64 HydrophobicContact CD1-CD1 4.29Å; I62-I64 HydrophobicContact CG1-CD1 4.36Å; I62-G140 WeakPolarHBondContact CG1-O 3.21Å; I62-G140 PolarHBondContact N-O 2.82Å; I62-G140 PolarHBondContact O-N 2.82Å; I62-G140 VanDerWaalsContact O-O 3.1Å; I62-V142 HydrophobicContact CD1-CB 4.07Å; I62-V142 HydrophobicContact CD1-CG1 3.98Å; I62-V142 HydrophobicContact CG1-CG1 4.25Å; I62-V142 HydrophobicContact CG2-CG1 3.8Å; I62-A147 HydrophobicContact CG2-CB 3.57Å; I62-A153 HydrophobicContact CB-CB 3.9Å; I62-A153 HydrophobicContact CG2-CB 3.93Å; I62-F154 HydrophobicContact CD1-CD2 3.98Å; I62-F154 HydrophobicContact CD1-CE2 3.81Å; I62-W179 HydrophobicContact CD1-CD2 4.29Å; I62-W179 HydrophobicContact CD1-CE3 3.85Å; I62-W179 HydrophobicContact CD1-CZ3 4.33Å
63	F	93.6	Very high	85.3	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.022	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.7	169.1	-55.9	-77.9	0	0	0	112.1	S89 C92 K93 Y108 Q138 K139 P151 F152 A153 F154	F63-S89 WeakPolarHBondContact CE2-O 3.29Å; F63-S89 WeakPolarHBondContact CZ-O 3.43Å; F63-C92 HydrophobicContact CE1-CB 3.87Å; F63-C92 HydrophobicContact CZ-CB 3.75Å; F63-K93 HydrophobicContact CE2-CB 4.03Å; F63-K93 HydrophobicContact CZ-CB 3.99Å; F63-Y108 HydrophobicContact CD1-CD1 4.21Å; F63-Y108 AromaticContact CD1-CE1 3.84Å; F63-Y108 HydrophobicContact CD1-CE1 3.84Å; F63-Y108 HydrophobicContact CD2-CE1 4.15Å; F63-Y108 HydrophobicContact CE1-CD1 4.09Å; F63-Y108 AromaticContact CE1-CE1 3.97Å; F63-Y108 HydrophobicContact CE1-CE1 3.97Å; F63-Y108 HydrophobicContact CE2-CE1 4.26Å; F63-Y108 AromaticContact CG-CE1 3.95Å; F63-Y108 HydrophobicContact CG-CE1 3.95Å; F63-Y108 HydrophobicContact CZ-CE1 4.19Å; F63-Q138 CarbonylContact C-O 3.56Å; F63-Q138 WeakPolarHBondContact CA-O 3Å; F63-K139 HydrophobicContact CD1-CB 4.05Å; F63-K139 HydrophobicContact CD1-CG 4.28Å; F63-K139 HydrophobicContact CE1-CB 3.87Å; F63-K139 HydrophobicContact CE1-CD 4.24Å; F63-K139 HydrophobicContact CE1-CG 3.81Å; F63-P151 WeakPolarHBondContact CB-O 3.18Å; F63-P151 WeakPolarHBondContact CD2-O 3.38Å; F63-F152 HydrophobicContact CB-CB 4.38Å; F63-A153 PolarHBondContact O-N 3.44Å; F63-F154 PolarHBondContact O-N 3Å
64	I	93.5	Very high	84.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118	179.1	-57	92.6	0	0	0	108.1	I62 Y137 Q138 F154 L156 W179	I62-I64 HydrophobicContact CD1-CD1 4.29Å; I62-I64 HydrophobicContact CG1-CD1 4.36Å; I64-Y137 WeakPolarHBondContact O-CA 3.42Å; I64-Q138 HydrophobicContact CB-CB 4.44Å; I64-Q138 PolarHBondContact N-O 3.19Å; I64-Q138 PolarHBondContact O-N 3.06Å; I64-F154 WeakPolarHBondContact CA-O 3.4Å; I64-F154 HydrophobicContact CG1-CB 4.38Å; I64-F154 HydrophobicContact CG1-CD2 4.49Å; I64-F154 HydrophobicContact CG2-CB 4.44Å; I64-L156 HydrophobicContact CG2-CB 3.61Å; I64-L156 HydrophobicContact CG2-CD1 3.96Å; I64-L156 HydrophobicContact CG2-CG 4.46Å; I64-W179 HydrophobicContact CD1-CH2 3.49Å; I64-W179 VanDerWaalsContact CD1-CH2 3.49Å; I64-W179 HydrophobicContact CD1-CZ2 3.9Å; I64-W179 HydrophobicContact CD1-CZ3 3.91Å; I64-W179 HydrophobicContact CG1-CH2 3.79Å; I64-W179 HydrophobicContact CG1-CZ2 3.62Å; I64-W179 HydrophobicContact CG1-CZ3 4.48Å
65	L	93.2	Very high	83.1	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.8	177.6	170.3	54.7	0	0	0	110.3	Q67 A135 Y137 F152 F154 E155 L156	L65-Q67 HydrophobicContact CD2-CG 4.43Å; L65-Q67 HydrophobicContact CG-CG 4.32Å; L65-A135 HydrophobicContact CD1-CB 3.93Å; L65-Y137 HydrophobicContact CB-CD1 4.1Å; L65-Y137 HydrophobicContact CB-CE1 3.97Å; L65-Y137 HydrophobicContact CD1-CD1 4.23Å; L65-Y137 HydrophobicContact CD1-CE1 3.75Å; L65-Y137 HydrophobicContact CD1-CE2 4.2Å; L65-Y137 HydrophobicContact CD2-CE1 4.07Å; L65-Y137 HydrophobicContact CG-CE1 4.14Å; L65-F152 HydrophobicContact CB-CB 4.31Å; L65-F152 HydrophobicContact CB-CD2 3.97Å; L65-F152 HydrophobicContact CB-CG 4.15Å; L65-F152 HydrophobicContact CD2-CD2 4.35Å; L65-F152 HydrophobicContact CD2-CE2 4.35Å; L65-F154 PolarHBondContact N-O 3.33Å; L65-E155 HydrophobicContact CB-CG 4.39Å; L65-E155 HydrophobicContact CD2-CG 4.22Å; L65-E155 WeakPolarHBondContact CD2-OE2 3.49Å; L65-E155 HydrophobicContact CG-CG 4.22Å; L65-L156 PolarHBondContact O-N 2.62Å
66	H	89.6	Confident	82.3	Confident	9 Å²	9	49.1 Å²	49.1	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	97.9	168.5	-69.5	-99.7	0	0	0	108.8	G68 K69 F136 Q138	H66-G68 PolarHBondContact O-N 2.8Å; H66-K69 HydrophobicContact CB-CB 3.97Å; H66-K69 HydrophobicContact CB-CG 4.13Å; H66-K69 PolarHBondContact O-N 3.15Å; H66-F136 HydrophobicContact CB-CD1 4.4Å; H66-F136 AromaticContact CD2-CD1 3.79Å; H66-F136 PolarHBondContact N-O 2.74Å; H66-Q138 PolarHBondContact NE2-OE1 2.82Å
67	Q	77.6	Confident	81.7	Confident	72 Å²	72	49 Å²	49	34%	0.336	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	134	-172.4	-88.6	-66.6	5.5	0	0	113.2	L65 K69 E155	L65-Q67 HydrophobicContact CD2-CG 4.43Å; L65-Q67 HydrophobicContact CG-CG 4.32Å; Q67-K69 PolarHBondContact O-N 2.79Å; Q67-E155 HydrophobicContact CG-CG 3.56Å; Q67-E155 VanDerWaalsContact CG-OE1 3.25Å; Q67-E155 WeakPolarHBondContact CG-OE1 3.35Å; Q67-E155 PolarHBondContact NE2-OE1 3.42Å; Q67-E155 PolarHBondContact NE2-OE2 2.82Å
68	G	78.6	Confident	81.8	Confident	30 Å²	30	46.8 Å²	46.8	31%	0.309	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	24.3	-179.5	0	0	0	0	0	114.3	H66 D130 S131	H66-G68 PolarHBondContact O-N 2.8Å; G68-D130 CarbonylContact O-C 3.54Å; G68-D130 WeakPolarHBondContact O-CA 3.17Å; G68-S131 CarbonylContact C-O 3.59Å; G68-S131 WeakPolarHBondContact CA-O 3.34Å; G68-S131 PolarHBondContact O-N 3.42Å
69	K	86.3	Confident	81.7	Confident	58 Å²	58	46 Å²	46	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.7	177.8	-58.5	-58.4	-175.4	-177.3	0	113	H66 Q67 L128 R129 D130 A135 F136	H66-K69 HydrophobicContact CB-CB 3.97Å; H66-K69 HydrophobicContact CB-CG 4.13Å; H66-K69 PolarHBondContact O-N 3.15Å; Q67-K69 PolarHBondContact O-N 2.79Å; K69-L128 HydrophobicContact CB-CB 4.31Å; K69-L128 HydrophobicContact CB-CD2 4.06Å; K69-R129 VanDerWaalsContact CA-O 3.27Å; K69-R129 WeakPolarHBondContact CA-O 3.25Å; K69-D130 VanDerWaalsContact NZ-CG 3.3Å; K69-D130 IonicContact NZ-OD1 3.26Å; K69-D130 PolarHBondContact NZ-OD1 2.74Å; K69-D130 IonicContact NZ-OD2 2.7Å; K69-D130 PolarHBondContact NZ-OD2 2.89Å; K69-A135 CarbonylContact O-C 3.58Å; K69-A135 WeakPolarHBondContact O-CA 3.43Å; K69-F136 WeakPolarHBondContact O-CB 3.39Å; K69-F136 PolarHBondContact O-N 2.87Å
70	S	85.5	Confident	81.4	Confident	23 Å²	23	45.1 Å²	45.1	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157.7	165.4	63.2	0	0	0	0	111.4	L128 R129 S131	S70-L128 CarbonylContact O-C 3.48Å; S70-L128 WeakPolarHBondContact O-CA 3.09Å; S70-R129 PolarHBondContact N-O 3.06Å; S70-R129 PolarHBondContact O-N 3.32Å; S70-S131 WeakPolarHBondContact OG-CB 3.34Å; S70-S131 PolarHBondContact OG-OG 3.41Å
71	L	83.2	Confident	81.2	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	126.5	-179.8	-65.3	166.9	0	0	0	110.6	E73 E109 R118 V120 V123 L128 F136	L71-E73 PolarHBondContact O-N 3.3Å; L71-E109 WeakPolarHBondContact CB-OE1 3.49Å; L71-E109 PolarHBondContact N-OE1 2.68Å; L71-R118 PolarHBondContact O-NH2 3.48Å; L71-V120 HydrophobicContact CD1-CG1 4.1Å; L71-V120 HydrophobicContact CD1-CG2 4.39Å; L71-V123 HydrophobicContact CD1-CG1 4.14Å; L71-V123 HydrophobicContact CD1-CG2 4.07Å; L71-V123 HydrophobicContact CD2-CG1 3.95Å; L71-L128 HydrophobicContact CD2-CD2 3.44Å; L71-L128 VanDerWaalsContact CD2-CD2 3.44Å; L71-L128 HydrophobicContact CD2-CG 3.88Å; L71-L128 HydrophobicContact CG-CD2 3.85Å; L71-F136 HydrophobicContact CD1-CD2 3.73Å; L71-F136 HydrophobicContact CD1-CE2 3.54Å; L71-F136 HydrophobicContact CD1-CG 4.38Å; L71-F136 HydrophobicContact CD1-CZ 4.02Å; L71-F136 HydrophobicContact CG-CD2 4.06Å; L71-F136 HydrophobicContact CG-CE2 4.26Å; L71-F136 HydrophobicContact CG-CG 4.25Å
72	S	70	Confident	80.9	Confident	37 Å²	37	48.9 Å²	48.9	26%	0.259	30%	0.302	S	S	.	.	S	Bend	trans	-73.4	103.3	171	66	0	0	0	0	111.9	S127 R129	S72-S127 PolarHBondContact N-O 2.89Å; S72-S127 VanDerWaalsContact N-O 3.15Å; S72-S127 PolarHBondContact OG-O 2.92Å; S72-R129 PolarHBondContact OG-NE 3.1Å; S72-R129 PolarHBondContact OG-NH2 3.15Å
73	E	66.5	Low	80.5	Confident	188 Å²	188	49.9 Å²	49.9	88%	0.879	31%	0.306	S	S	*	.			trans	48.9	75.9	170.4	-63.9	-170.4	150.5	0	0	115.5	L71	L71-E73 PolarHBondContact O-N 3.3Å
74	S	60.8	Low	80.1	Confident	24 Å²	24	51.9 Å²	51.9	17%	0.168	32%	0.319	C	S	.	.			trans	-75.3	126.5	166	48.8	0	0	0	0	111.7	S76 R118 V120	S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.15Å; S74-R118 PolarHBondContact OG-NH1 3.48Å; S74-V120 VanDerWaalsContact OG-CG1 3.3Å; S74-V120 WeakPolarHBondContact OG-CG1 3.36Å; S74-V120 WeakPolarHBondContact OG-CG2 3.4Å
75	S	55.5	Low	79.9	Confident	111 Å²	111	52.3 Å²	52.3	78%	0.776	32%	0.32	S	S	*	.	S	Bend	trans	-67	-23.2	-175	58.6	0	0	0	0	114.7
76	S	69.4	Low	79.6	Confident	67 Å²	67	53.2 Å²	53.2	47%	0.469	33%	0.325	S	S	.	.	S	Bend	trans	-111.1	66.3	-177.9	-60.8	0	0	0	0	110.6	S74 G121	S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 PolarHBondContact O-N 3.15Å; S76-G121 PolarHBondContact O-N 2.99Å
77	A	77.4	Confident	79.4	Confident	41 Å²	41	56 Å²	56	34%	0.339	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.3	-178.4	0	0	0	0	0	112.6	R118 L119 V120	A77-R118 HydrophobicContact CB-CG 3.93Å; A77-L119 CarbonylContact C-O 3.52Å; A77-L119 VanDerWaalsContact CA-O 3.29Å; A77-L119 WeakPolarHBondContact CA-O 2.99Å; A77-V120 HydrophobicContact CB-CG2 4.45Å
78	K	84.6	Confident	80.1	Confident	92 Å²	92	52.6 Å²	52.6	40%	0.4	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.5	168.2	-85.9	-178.5	168.1	-175.7	0	108.9	D97 I103 L119	K78-D97 IonicContact NZ-OD2 2.74Å; K78-D97 PolarHBondContact NZ-OD2 2.81Å; K78-I103 HydrophobicContact CD-CD1 3.38Å; K78-I103 HydrophobicContact CD-CG1 3.78Å; K78-L119 HydrophobicContact CB-CB 4.47Å; K78-L119 PolarHBondContact N-O 3.25Å; K78-L119 PolarHBondContact O-N 2.99Å
79	T	86.3	Confident	80.6	Confident	79 Å²	79	51.7 Å²	51.7	49%	0.485	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.8	175.8	-53.3	0	0	0	0	111.2	M116 C117	T79-M116 HydrophobicContact CG2-CG 3.57Å; T79-M116 HydrophobicContact CG2-SD 3.7Å; T79-C117 CarbonylContact C-O 3.59Å; T79-C117 VanDerWaalsContact CA-O 3.29Å; T79-C117 WeakPolarHBondContact CA-O 3.35Å
80	Q	83.9	Confident	80.8	Confident	25 Å²	25	53.9 Å²	53.9	12%	0.117	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.9	169.3	-57.1	-176.6	30.8	0	0	109.6	K83 M91 C117	Q80-K83 HydrophobicContact CB-CG 4Å; Q80-M91 PolarHBondContact NE2-SD 2.77Å; Q80-M91 PolarHBondContact OE1-SD 2.85Å; Q80-C117 HydrophobicContact CB-CB 4.28Å; Q80-C117 PolarHBondContact N-O 2.89Å; Q80-C117 PolarHBondContact O-N 3.42Å
81	S	86.2	Confident	81	Confident	92 Å²	92	53.4 Å²	53.4	64%	0.643	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.3	-174.5	-57.1	0	0	0	0	111.4	K83	S81-K83 VanDerWaalsContact C-N 3.31Å
82	G	83.9	Confident	81.5	Confident	58 Å²	58	53 Å²	53	60%	0.598	31%	0.312	S	S	*	.	S	Bend	trans	77.9	13.2	-179.9	0	0	0	0	0	114.5	K115	G82-K115 PolarHBondContact N-O 2.98Å
83	K	85.5	Confident	82.4	Confident	28 Å²	28	55.3 Å²	55.3	12%	0.122	32%	0.317	C	S	.	.			trans	-88.4	158.6	179.1	-61.3	-63.2	175.5	-167.8	0	112	Q80 S81 E87 M91 E98 Y110 K115 C117	Q80-K83 HydrophobicContact CB-CG 4Å; S81-K83 VanDerWaalsContact C-N 3.31Å; K83-E87 WeakPolarHBondContact CA-OE2 3.33Å; K83-E87 HydrophobicContact CB-CB 4.44Å; K83-E87 WeakPolarHBondContact CB-OE2 3.41Å; K83-E87 VanDerWaalsContact CD-OE2 3.22Å; K83-E87 WeakPolarHBondContact CD-OE2 3.28Å; K83-M91 HydrophobicContact CD-CE 4.29Å; K83-M91 HydrophobicContact CG-CE 4.15Å; K83-E98 WeakPolarHBondContact CE-OE2 3.41Å; K83-E98 IonicContact NZ-OE1 3.37Å; K83-E98 PolarHBondContact NZ-OE1 3.28Å; K83-E98 IonicContact NZ-OE2 2.91Å; K83-E98 PolarHBondContact NZ-OE2 2.63Å; K83-Y110 WeakPolarHBondContact O-CE2 3.24Å; K83-Y110 PolarHBondContact O-OH 2.8Å; K83-K115 PolarHBondContact N-O 2.88Å; K83-C117 HydrophobicContact CB-CB 4.1Å; K83-C117 HydrophobicContact CG-CB 4.44Å
84	T	85.7	Confident	83.5	Confident	47 Å²	47	48.9 Å²	48.9	29%	0.288	29%	0.291	S	S	.	.			trans	-90.6	168	168.4	86.6	0	0	0	0	111.9	E86 E87 C88	T84-E86 VanDerWaalsContact C-N 3.31Å; T84-E86 WeakPolarHBondContact CB-OE2 3.38Å; T84-E86 PolarHBondContact OG1-N 2.85Å; T84-E86 PolarHBondContact OG1-OE2 3.36Å; T84-E87 PolarHBondContact N-OE2 2.97Å; T84-E87 PolarHBondContact O-N 3.44Å; T84-E87 PolarHBondContact OG1-N 3.12Å; T84-C88 PolarHBondContact O-N 2.86Å; T84-C88 PolarHBondContact O-SG 2.62Å
85	I	88.2	Confident	84.9	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-34	176	-166.3	-170.5	0	0	0	111.8	C88 S89 Y108 Y110 Y137 P151	I85-C88 WeakPolarHBondContact O-CB 3.49Å; I85-C88 PolarHBondContact O-N 2.81Å; I85-S89 PolarHBondContact O-N 2.77Å; I85-Y108 HydrophobicContact CG1-CE2 4.27Å; I85-Y110 HydrophobicContact CB-CD1 3.71Å; I85-Y110 HydrophobicContact CB-CD2 4.38Å; I85-Y110 HydrophobicContact CB-CE1 3.75Å; I85-Y110 HydrophobicContact CB-CE2 4.42Å; I85-Y110 HydrophobicContact CB-CG 4.03Å; I85-Y110 HydrophobicContact CD1-CD1 4.32Å; I85-Y110 HydrophobicContact CG1-CD1 3.89Å; I85-Y110 HydrophobicContact CG1-CE1 4.43Å; I85-Y110 HydrophobicContact CG1-CG 4.05Å; I85-Y137 HydrophobicContact CD1-CE1 3.92Å; I85-Y137 HydrophobicContact CD1-CE2 4.3Å; I85-Y137 VanDerWaalsContact CD1-OH 3.32Å; I85-Y137 WeakPolarHBondContact CD1-OH 3.22Å; I85-P151 HydrophobicContact CD1-CB 3.76Å; I85-P151 HydrophobicContact CD1-CG 4.21Å; I85-P151 HydrophobicContact CG1-CB 3.81Å; I85-P151 HydrophobicContact CG1-CG 4.22Å; I85-P151 HydrophobicContact CG2-CB 4.44Å; I85-P151 HydrophobicContact CG2-CG 3.88Å
86	E	86.4	Confident	86.4	Confident	21 Å²	21	48.5 Å²	48.5	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-51.1	173.4	-58.7	79.4	-175.3	0	0	110.4	T84 C88 S89 Y90 P151 V259 Y283	T84-E86 VanDerWaalsContact C-N 3.31Å; T84-E86 WeakPolarHBondContact CB-OE2 3.38Å; T84-E86 PolarHBondContact OG1-N 2.85Å; T84-E86 PolarHBondContact OG1-OE2 3.36Å; E86-C88 VanDerWaalsContact C-N 3.31Å; E86-C88 PolarHBondContact O-N 2.62Å; E86-S89 WeakPolarHBondContact O-CB 3.21Å; E86-S89 PolarHBondContact O-N 2.92Å; E86-S89 PolarHBondContact O-OG 2.93Å; E86-Y90 PolarHBondContact O-N 2.86Å; E86-P151 HydrophobicContact CG-CG 4.04Å; E86-V259 HydrophobicContact CB-CG2 4.5Å; E86-V259 VanDerWaalsContact CD-CG2 3.49Å; E86-V259 HydrophobicContact CG-CG2 3.62Å; E86-V259 WeakPolarHBondContact OE1-CG2 3.48Å; E86-Y283 HydrophobicContact CG-CE2 4.21Å
87	E	87.1	Confident	87	Confident	67 Å²	67	46.7 Å²	46.7	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-41.4	177.1	-65.6	173.8	159.6	0	0	111.8	K83 T84 S89 Y90 M91	K83-E87 WeakPolarHBondContact CA-OE2 3.33Å; K83-E87 HydrophobicContact CB-CB 4.44Å; K83-E87 WeakPolarHBondContact CB-OE2 3.41Å; K83-E87 VanDerWaalsContact CD-OE2 3.22Å; K83-E87 WeakPolarHBondContact CD-OE2 3.28Å; T84-E87 PolarHBondContact N-OE2 2.97Å; T84-E87 PolarHBondContact O-N 3.44Å; T84-E87 PolarHBondContact OG1-N 3.12Å; E87-S89 PolarHBondContact O-N 3.16Å; E87-Y90 PolarHBondContact O-N 2.56Å; E87-M91 HydrophobicContact CB-CE 4.41Å; E87-M91 WeakPolarHBondContact O-CB 3.28Å; E87-M91 WeakPolarHBondContact O-CE 3.38Å; E87-M91 WeakPolarHBondContact O-CG 3.38Å; E87-M91 PolarHBondContact O-N 3.3Å
88	C	90.5	Very high	87	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.3	-49.5	172.1	-71.9	0	0	0	0	112.5	T84 I85 E86 M91 C92 Y108 C117	T84-C88 PolarHBondContact O-N 2.86Å; T84-C88 PolarHBondContact O-SG 2.62Å; I85-C88 WeakPolarHBondContact O-CB 3.49Å; I85-C88 PolarHBondContact O-N 2.81Å; E86-C88 VanDerWaalsContact C-N 3.31Å; E86-C88 PolarHBondContact O-N 2.62Å; C88-M91 PolarHBondContact O-N 3.48Å; C88-C92 WeakPolarHBondContact O-CB 2.98Å; C88-C92 PolarHBondContact O-N 2.91Å; C88-Y108 HydrophobicContact CB-CD2 3.66Å; C88-Y108 HydrophobicContact CB-CE2 3.7Å; C88-Y108 HydrophobicContact CB-CG 4.2Å; C88-C117 WeakPolarHBondContact CA-SG 3.02Å; C88-C117 HydrophobicContact CB-CB 4.44Å; C88-C117 WeakPolarHBondContact CB-SG 3.47Å; C88-C117 WeakPolarHBondContact SG-CB 3.48Å; C88-C117 CovalentContact SG-SG 2.02Å; C88-C117 PolarHBondContact SG-SG 3.45Å
89	S	91	Very high	86.9	Confident	12 Å²	12	52.4 Å²	52.4	8%	0.084	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-41	-179.6	77.7	0	0	0	0	111.4	F63 I85 E86 E87 C92 K93	F63-S89 WeakPolarHBondContact CE2-O 3.29Å; F63-S89 WeakPolarHBondContact CZ-O 3.43Å; I85-S89 PolarHBondContact O-N 2.77Å; E86-S89 WeakPolarHBondContact O-CB 3.21Å; E86-S89 PolarHBondContact O-N 2.92Å; E86-S89 PolarHBondContact O-OG 2.93Å; E87-S89 PolarHBondContact O-N 3.16Å; S89-C92 PolarHBondContact O-N 3.46Å; S89-K93 WeakPolarHBondContact O-CB 3.36Å; S89-K93 PolarHBondContact O-N 3.01Å
90	Y	89.4	Confident	86.5	Confident	104 Å²	104	50.8 Å²	50.8	41%	0.408	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-48.3	177	-179.3	-89.9	0	0	0	111.5	E86 E87 C92 K93 T94 E280	E86-Y90 PolarHBondContact O-N 2.86Å; E87-Y90 PolarHBondContact O-N 2.56Å; Y90-C92 PolarHBondContact O-N 2.82Å; Y90-K93 PolarHBondContact O-N 2.86Å; Y90-T94 HydrophobicContact CD1-CG2 4.26Å; Y90-T94 HydrophobicContact CD2-CG2 4.3Å; Y90-T94 HydrophobicContact CE1-CG2 3.87Å; Y90-T94 HydrophobicContact CE2-CG2 3.91Å; Y90-T94 HydrophobicContact CG-CG2 4.46Å; Y90-T94 WeakPolarHBondContact O-CB 3.36Å; Y90-T94 WeakPolarHBondContact O-CG2 3.28Å; Y90-T94 PolarHBondContact O-N 3.13Å; Y90-T94 PolarHBondContact O-OG1 2.91Å; Y90-E280 WeakPolarHBondContact CB-OE2 2.97Å; Y90-E280 HydrophobicContact CD2-CB 4.34Å; Y90-E280 WeakPolarHBondContact CD2-OE2 3.37Å; Y90-E280 HydrophobicContact CE2-CB 4.46Å
91	M	90	Very high	86.5	Confident	13 Å²	13	51 Å²	51	6%	0.064	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-44.2	177.6	-74.9	-174	-69.5	0	0	112.1	Q80 K83 E87 C88 T94 N95 K96 L119	Q80-M91 PolarHBondContact NE2-SD 2.77Å; Q80-M91 PolarHBondContact OE1-SD 2.85Å; K83-M91 HydrophobicContact CD-CE 4.29Å; K83-M91 HydrophobicContact CG-CE 4.15Å; E87-M91 HydrophobicContact CB-CE 4.41Å; E87-M91 WeakPolarHBondContact O-CB 3.28Å; E87-M91 WeakPolarHBondContact O-CE 3.38Å; E87-M91 WeakPolarHBondContact O-CG 3.38Å; E87-M91 PolarHBondContact O-N 3.3Å; C88-M91 PolarHBondContact O-N 3.48Å; M91-T94 PolarHBondContact O-OG1 3.11Å; M91-N95 WeakPolarHBondContact O-CA 3.37Å; M91-N95 PolarHBondContact O-N 2.85Å; M91-K96 WeakPolarHBondContact CA-O 3.46Å; M91-K96 WeakPolarHBondContact CB-O 3.3Å; M91-K96 WeakPolarHBondContact CG-O 3.39Å; M91-K96 PolarHBondContact O-N 2.04Å; M91-L119 HydrophobicContact CB-CD1 4.07Å; M91-L119 HydrophobicContact CB-CD2 4.35Å
92	C	92.5	Very high	86.5	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71	-30.1	177.2	-160.6	0	0	0	0	112.9	F63 C88 S89 Y90 N95 C105 Y108 L119 K139	F63-C92 HydrophobicContact CE1-CB 3.87Å; F63-C92 HydrophobicContact CZ-CB 3.75Å; C88-C92 WeakPolarHBondContact O-CB 2.98Å; C88-C92 PolarHBondContact O-N 2.91Å; S89-C92 PolarHBondContact O-N 3.46Å; Y90-C92 PolarHBondContact O-N 2.82Å; C92-N95 PolarHBondContact O-OD1 2.88Å; C92-C105 WeakPolarHBondContact CA-SG 3.39Å; C92-C105 HydrophobicContact CB-CB 3.96Å; C92-C105 WeakPolarHBondContact CB-SG 3.42Å; C92-C105 WeakPolarHBondContact SG-CB 3.39Å; C92-C105 CovalentContact SG-SG 2.04Å; C92-C105 PolarHBondContact SG-SG 3.09Å; C92-Y108 HydrophobicContact CB-CD1 3.85Å; C92-L119 HydrophobicContact CB-CD2 4Å; C92-K139 WeakPolarHBondContact O-CE 3.4Å; C92-K139 PolarHBondContact O-NZ 2.9Å
93	K	90.8	Very high	86.5	Confident	84 Å²	84	51 Å²	51	37%	0.365	28%	0.279	S	S	.	.	H	α-helix	trans	-72.2	-46.6	178.7	-176.9	176.6	-177.6	178.3	0	110.9	P61 F63 S89 Y90 N95	P61-K93 HydrophobicContact CB-CG 4.26Å; P61-K93 HydrophobicContact CG-CG 3.77Å; F63-K93 HydrophobicContact CE2-CB 4.03Å; F63-K93 HydrophobicContact CZ-CB 3.99Å; S89-K93 WeakPolarHBondContact O-CB 3.36Å; S89-K93 PolarHBondContact O-N 3.01Å; Y90-K93 PolarHBondContact O-N 2.86Å; K93-N95 VanDerWaalsContact C-N 3.31Å
94	T	88.4	Confident	86.7	Confident	53 Å²	53	53.1 Å²	53.1	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-79.5	-9.8	178.9	58.2	0	0	0	0	114	Y90 M91	Y90-T94 HydrophobicContact CD1-CG2 4.26Å; Y90-T94 HydrophobicContact CD2-CG2 4.3Å; Y90-T94 HydrophobicContact CE1-CG2 3.87Å; Y90-T94 HydrophobicContact CE2-CG2 3.91Å; Y90-T94 HydrophobicContact CG-CG2 4.46Å; Y90-T94 WeakPolarHBondContact O-CB 3.36Å; Y90-T94 WeakPolarHBondContact O-CG2 3.28Å; Y90-T94 PolarHBondContact O-N 3.13Å; Y90-T94 PolarHBondContact O-OG1 2.91Å; M91-T94 PolarHBondContact O-OG1 3.11Å
95	N	89.5	Confident	86.9	Confident	35 Å²	35	50.9 Å²	50.9	19%	0.187	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	41.9	-174.5	-82.2	-17	0	0	0	112.7	S53 M91 C92 K93 D102 I103 C105 K139	S53-N95 PolarHBondContact O-ND2 3.4Å; S53-N95 PolarHBondContact O-OD1 2.99Å; M91-N95 WeakPolarHBondContact O-CA 3.37Å; M91-N95 PolarHBondContact O-N 2.85Å; C92-N95 PolarHBondContact O-OD1 2.88Å; K93-N95 VanDerWaalsContact C-N 3.31Å; N95-D102 CarbonylContact O-C 3.52Å; N95-D102 WeakPolarHBondContact O-CA 3.43Å; N95-I103 CarbonylContact C-O 3.54Å; N95-I103 WeakPolarHBondContact CA-O 3.24Å; N95-I103 WeakPolarHBondContact CB-O 3.48Å; N95-I103 PolarHBondContact O-N 2.99Å; N95-I103 PolarHBondContact OD1-O 2.93Å; N95-C105 WeakPolarHBondContact OD1-CB 3.42Å; N95-C105 PolarHBondContact OD1-N 3.4Å; N95-K139 PolarHBondContact OD1-NZ 3.15Å
96	K	87.3	Confident	87.1	Confident	92 Å²	92	50.7 Å²	50.7	40%	0.4	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-138.2	147.8	-178.1	-67.7	-176.9	179.7	-172.1	0	112.8	M91 G101	M91-K96 WeakPolarHBondContact CA-O 3.46Å; M91-K96 WeakPolarHBondContact CB-O 3.3Å; M91-K96 WeakPolarHBondContact CG-O 3.39Å; M91-K96 PolarHBondContact O-N 2.04Å; K96-G101 CarbonylContact C-O 3.55Å; K96-G101 VanDerWaalsContact CA-O 3.3Å; K96-G101 WeakPolarHBondContact CA-O 3.42Å
97	D	82.1	Confident	87.4	Confident	30 Å²	30	49.7 Å²	49.7	16%	0.16	28%	0.279	C	S	.	.			trans	-84.7	174	162.1	48	53.3	0	0	0	112.8	K78 S99 G100 G101 I103	K78-D97 IonicContact NZ-OD2 2.74Å; K78-D97 PolarHBondContact NZ-OD2 2.81Å; D97-S99 PolarHBondContact O-N 2.89Å; D97-S99 VanDerWaalsContact O-N 3.13Å; D97-S99 WeakPolarHBondContact OD1-CB 3.47Å; D97-S99 PolarHBondContact OD1-N 3.29Å; D97-S99 VanDerWaalsContact OD1-N 3.16Å; D97-G100 WeakPolarHBondContact O-CA 3.1Å; D97-G100 PolarHBondContact O-N 3.41Å; D97-G101 PolarHBondContact N-O 3.26Å; D97-G101 WeakPolarHBondContact OD1-CA 3.47Å; D97-G101 PolarHBondContact OD1-N 3.27Å; D97-I103 HydrophobicContact CB-CD1 3.67Å
98	E	78	Confident	87.6	Confident	137 Å²	137	46.5 Å²	46.5	64%	0.64	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-23.6	172.2	173.5	165.4	-139.3	0	0	114.4	K83 G100	K83-E98 WeakPolarHBondContact CE-OE2 3.41Å; K83-E98 IonicContact NZ-OE1 3.37Å; K83-E98 PolarHBondContact NZ-OE1 3.28Å; K83-E98 IonicContact NZ-OE2 2.91Å; K83-E98 PolarHBondContact NZ-OE2 2.63Å; E98-G100 PolarHBondContact O-N 2.82Å
99	S	81.9	Confident	87.7	Confident	116 Å²	116	47.1 Å²	47.1	81%	0.811	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1	174.5	-54.5	0	0	0	0	112.8	D97 G101	D97-S99 PolarHBondContact O-N 2.89Å; D97-S99 VanDerWaalsContact O-N 3.13Å; D97-S99 WeakPolarHBondContact OD1-CB 3.47Å; D97-S99 PolarHBondContact OD1-N 3.29Å; D97-S99 VanDerWaalsContact OD1-N 3.16Å; S99-G101 PolarHBondContact O-N 2.75Å
100	G	79.2	Confident	87.7	Confident	44 Å²	44	47.5 Å²	47.5	45%	0.454	27%	0.266	S	S	.	.	S	Bend	trans	74.8	8.5	-173	0	0	0	0	0	114.1	D97 E98	D97-G100 WeakPolarHBondContact O-CA 3.1Å; D97-G100 PolarHBondContact O-N 3.41Å; E98-G100 PolarHBondContact O-N 2.82Å
101	G	84	Confident	87.6	Confident	29 Å²	29	44.2 Å²	44.2	30%	0.299	26%	0.256	S	S	.	.			trans	-81.9	142.4	-179	0	0	0	0	0	112.3	K96 D97 S99	K96-G101 CarbonylContact C-O 3.55Å; K96-G101 VanDerWaalsContact CA-O 3.3Å; K96-G101 WeakPolarHBondContact CA-O 3.42Å; D97-G101 PolarHBondContact N-O 3.26Å; D97-G101 WeakPolarHBondContact OD1-CA 3.47Å; D97-G101 PolarHBondContact OD1-N 3.27Å; S99-G101 PolarHBondContact O-N 2.75Å
102	D	84.9	Confident	87.2	Confident	136 Å²	136	46.3 Å²	46.3	73%	0.727	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-67.6	143	-172.6	-58.8	-49.7	0	0	0	113.2	N95	N95-D102 CarbonylContact O-C 3.52Å; N95-D102 WeakPolarHBondContact O-CA 3.43Å
103	I	85.3	Confident	86.6	Confident	16 Å²	16	54.6 Å²	54.6	8%	0.082	31%	0.309	C	S	.	.			trans	-135.7	123.5	176.3	-64.1	-179.9	0	0	0	108.7	K78 N95 D97 C105 L119	K78-I103 HydrophobicContact CD-CD1 3.38Å; K78-I103 HydrophobicContact CD-CG1 3.78Å; N95-I103 CarbonylContact C-O 3.54Å; N95-I103 WeakPolarHBondContact CA-O 3.24Å; N95-I103 WeakPolarHBondContact CB-O 3.48Å; N95-I103 PolarHBondContact O-N 2.99Å; N95-I103 PolarHBondContact OD1-O 2.93Å; D97-I103 HydrophobicContact CB-CD1 3.67Å; I103-C105 HydrophobicContact CG2-CB 4Å; I103-C105 PolarHBondContact O-N 2.59Å; I103-L119 HydrophobicContact CD1-CD1 3.69Å
104	S	88	Confident	86.3	Confident	71 Å²	71	53 Å²	53	50%	0.497	31%	0.312	S	S	.	.			trans	-67.7	100	159.3	177.6	0	0	0	0	108	S53 G121	S53-S104 WeakPolarHBondContact CB-OG 3.3Å; S53-S104 PolarHBondContact OG-OG 3.02Å; S104-G121 WeakPolarHBondContact O-CA 3.38Å
105	C	91.2	Very high	86.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.322	C	S	.	.			trans	-109.8	111.8	179.6	-163.4	0	0	0	0	110.5	S53 C92 N95 I103 G107 K139	S53-C105 WeakPolarHBondContact CA-O 3.29Å; C92-C105 WeakPolarHBondContact CA-SG 3.39Å; C92-C105 HydrophobicContact CB-CB 3.96Å; C92-C105 WeakPolarHBondContact CB-SG 3.42Å; C92-C105 WeakPolarHBondContact SG-CB 3.39Å; C92-C105 CovalentContact SG-SG 2.04Å; C92-C105 PolarHBondContact SG-SG 3.09Å; N95-C105 WeakPolarHBondContact OD1-CB 3.42Å; N95-C105 PolarHBondContact OD1-N 3.4Å; I103-C105 HydrophobicContact CG2-CB 4Å; I103-C105 PolarHBondContact O-N 2.59Å; C105-G107 PolarHBondContact SG-O 2.92Å; C105-K139 WeakPolarHBondContact O-CD 3.28Å; C105-K139 PolarHBondContact O-NZ 3.12Å
106	A	91.6	Very high	86	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.041	33%	0.331	C	S	.	.	S	Bend	trans	-93.2	-14.9	178.2	0	0	0	0	0	112.4	V51 V120 V123 K139	V51-A106 HydrophobicContact CG1-CB 3.77Å; V51-A106 WeakPolarHBondContact CG1-O 2.92Å; A106-V120 WeakPolarHBondContact CA-O 3.49Å; A106-V120 PolarHBondContact N-O 2.86Å; A106-V123 HydrophobicContact CB-CG2 4.05Å; A106-K139 WeakPolarHBondContact O-CB 3.43Å; A106-K139 PolarHBondContact O-N 3.37Å
107	G	92.3	Very high	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-178.5	174.9	0	0	0	0	0	110	C105 V120 Y137	C105-G107 PolarHBondContact SG-O 2.92Å; G107-V120 PolarHBondContact N-O 3.48Å; G107-V120 VanDerWaalsContact N-O 3.13Å; G107-V120 PolarHBondContact O-N 3.29Å; G107-V120 VanDerWaalsContact O-O 3.11Å; G107-Y137 CarbonylContact C-O 3.12Å; G107-Y137 WeakPolarHBondContact CA-O 3.46Å
108	Y	92.4	Very high	86.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.6	173.7	66.5	-88.7	0	0	0	111.7	F63 I85 C88 C92 R118 F136 Y137 P151	F63-Y108 HydrophobicContact CD1-CD1 4.21Å; F63-Y108 AromaticContact CD1-CE1 3.84Å; F63-Y108 HydrophobicContact CD1-CE1 3.84Å; F63-Y108 HydrophobicContact CD2-CE1 4.15Å; F63-Y108 HydrophobicContact CE1-CD1 4.09Å; F63-Y108 AromaticContact CE1-CE1 3.97Å; F63-Y108 HydrophobicContact CE1-CE1 3.97Å; F63-Y108 HydrophobicContact CE2-CE1 4.26Å; F63-Y108 AromaticContact CG-CE1 3.95Å; F63-Y108 HydrophobicContact CG-CE1 3.95Å; F63-Y108 HydrophobicContact CZ-CE1 4.19Å; I85-Y108 HydrophobicContact CG1-CE2 4.27Å; C88-Y108 HydrophobicContact CB-CD2 3.66Å; C88-Y108 HydrophobicContact CB-CE2 3.7Å; C88-Y108 HydrophobicContact CB-CG 4.2Å; C92-Y108 HydrophobicContact CB-CD1 3.85Å; Y108-R118 CarbonylContact C-O 3.49Å; Y108-R118 WeakPolarHBondContact CA-O 3.32Å; Y108-F136 WeakPolarHBondContact O-CD2 3.24Å; Y108-Y137 AromaticContact CD2-CD2 3.84Å; Y108-Y137 HydrophobicContact CD2-CD2 3.84Å; Y108-Y137 HydrophobicContact CD2-CG 4.18Å; Y108-Y137 HydrophobicContact CE1-CG 4.11Å; Y108-Y137 HydrophobicContact CE2-CD1 4.25Å; Y108-Y137 AromaticContact CE2-CD2 3.37Å; Y108-Y137 HydrophobicContact CE2-CD2 3.37Å; Y108-Y137 HydrophobicContact CE2-CE2 4.03Å; Y108-Y137 AromaticContact CE2-CG 3.52Å; Y108-Y137 HydrophobicContact CE2-CG 3.52Å; Y108-Y137 VanDerWaalsContact CZ-CB 3.49Å; Y108-Y137 AromaticContact CZ-CD1 3.93Å; Y108-Y137 AromaticContact CZ-CD2 3.86Å; Y108-Y137 AromaticContact CZ-CG 3.48Å; Y108-Y137 VanDerWaalsContact CZ-CG 3.48Å; Y108-Y137 PolarHBondContact N-O 2.74Å; Y108-Y137 WeakPolarHBondContact O-CB 3.43Å; Y108-Y137 PolarHBondContact O-N 3.11Å; Y108-P151 PolarHBondContact OH-O 3.26Å
109	E	91.8	Very high	87.3	Confident	13 Å²	13	48 Å²	48	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.5	162.9	-63.4	171.7	168.9	0	0	109.7	L71 R118 P134 A135 F136	L71-E109 WeakPolarHBondContact CB-OE1 3.49Å; L71-E109 PolarHBondContact N-OE1 2.68Å; E109-R118 HydrophobicContact CB-CB 4.25Å; E109-R118 PolarHBondContact N-O 3.38Å; E109-R118 PolarHBondContact O-N 2.97Å; E109-R118 IonicContact OE1-CZ 2.91Å; E109-R118 IonicContact OE1-NH2 3.93Å; E109-R118 PolarHBondContact OE1-NH2 2.8Å; E109-R118 IonicContact OE2-CZ 3.2Å; E109-R118 IonicContact OE2-NE 3.68Å; E109-R118 PolarHBondContact OE2-NE 2.03Å; E109-R118 IonicContact OE2-NH2 2.74Å; E109-R118 PolarHBondContact OE2-NH2 3.2Å; E109-P134 HydrophobicContact CB-CB 4.4Å; E109-A135 VanDerWaalsContact CA-O 3.29Å; E109-A135 WeakPolarHBondContact CA-O 3.31Å; E109-F136 HydrophobicContact CG-CB 4.26Å; E109-F136 HydrophobicContact CG-CD2 3.95Å
110	Y	90.6	Very high	87.7	Confident	19 Å²	19	42.5 Å²	42.5	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.6	173	-176.3	-109.7	0	0	0	110.7	K83 I85 P112 M116 P134 A135	K83-Y110 WeakPolarHBondContact O-CE2 3.24Å; K83-Y110 PolarHBondContact O-OH 2.8Å; I85-Y110 HydrophobicContact CB-CD1 3.71Å; I85-Y110 HydrophobicContact CB-CD2 4.38Å; I85-Y110 HydrophobicContact CB-CE1 3.75Å; I85-Y110 HydrophobicContact CB-CE2 4.42Å; I85-Y110 HydrophobicContact CB-CG 4.03Å; I85-Y110 HydrophobicContact CD1-CD1 4.32Å; I85-Y110 HydrophobicContact CG1-CD1 3.89Å; I85-Y110 HydrophobicContact CG1-CE1 4.43Å; I85-Y110 HydrophobicContact CG1-CG 4.05Å; Y110-P112 HydrophobicContact CD1-CB 4.35Å; Y110-P112 HydrophobicContact CE1-CB 3.83Å; Y110-M116 WeakPolarHBondContact CA-O 3.04Å; Y110-P134 WeakPolarHBondContact O-CA 3.03Å; Y110-A135 PolarHBondContact N-O 3.48Å; Y110-A135 VanDerWaalsContact N-O 3.1Å; Y110-A135 PolarHBondContact O-N 3.49Å; Y110-A135 VanDerWaalsContact O-N 3.14Å
111	D	88.1	Confident	88	Confident	36 Å²	36	41.4 Å²	41.4	19%	0.193	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	112.2	167.4	-174.4	-37.4	0	0	0	108.8	Q113 A114 K115 M116 P134	D111-Q113 VanDerWaalsContact C-N 3.34Å; D111-Q113 PolarHBondContact O-N 3.21Å; D111-Q113 WeakPolarHBondContact OD1-CA 3.33Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.22Å; D111-Q113 PolarHBondContact OD1-N 3.42Å; D111-A114 HydrophobicContact CB-CB 4.07Å; D111-A114 PolarHBondContact OD1-N 2.04Å; D111-K115 VanDerWaalsContact O-CA 3.25Å; D111-K115 WeakPolarHBondContact O-CA 3.22Å; D111-K115 PolarHBondContact O-N 3.03Å; D111-M116 HydrophobicContact CB-CB 4.17Å; D111-M116 PolarHBondContact N-O 3.02Å; D111-M116 PolarHBondContact O-N 3.25Å; D111-M116 VanDerWaalsContact O-N 3.13Å; D111-P134 HydrophobicContact CB-CB 4.22Å
112	P	80.9	Confident	87.9	Confident	56 Å²	56	45 Å²	45	36%	0.364	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-24.1	-178.7	29.7	-34.8	0	0	0	113.6	Y110	Y110-P112 HydrophobicContact CD1-CB 4.35Å; Y110-P112 HydrophobicContact CE1-CB 3.83Å
113	Q	81.3	Confident	87.6	Confident	175 Å²	175	39.2 Å²	39.2	82%	0.818	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-45.1	179.7	-59.1	-174.6	12.4	0	0	110.6	D111 K115	D111-Q113 VanDerWaalsContact C-N 3.34Å; D111-Q113 PolarHBondContact O-N 3.21Å; D111-Q113 WeakPolarHBondContact OD1-CA 3.33Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.22Å; D111-Q113 PolarHBondContact OD1-N 3.42Å; Q113-K115 VanDerWaalsContact C-N 3.32Å
114	A	83.8	Confident	87.4	Confident	51 Å²	51	42.4 Å²	42.4	42%	0.421	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11	177.1	0	0	0	0	0	113.7	D111 M116	D111-A114 HydrophobicContact CB-CB 4.07Å; D111-A114 PolarHBondContact OD1-N 2.04Å; A114-M116 HydrophobicContact CB-CB 3.94Å; A114-M116 HydrophobicContact CB-CE 4.25Å; A114-M116 PolarHBondContact O-N 2.93Å
115	K	83.7	Confident	86.9	Confident	122 Å²	122	39.6 Å²	39.6	53%	0.53	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	46.1	-167.8	-61.3	-170.4	177.7	-171	0	111.3	G82 K83 D111 Q113	G82-K115 PolarHBondContact N-O 2.98Å; K83-K115 PolarHBondContact N-O 2.88Å; D111-K115 VanDerWaalsContact O-CA 3.25Å; D111-K115 WeakPolarHBondContact O-CA 3.22Å; D111-K115 PolarHBondContact O-N 3.03Å; Q113-K115 VanDerWaalsContact C-N 3.32Å
116	M	88.8	Confident	86.2	Confident	78 Å²	78	46.4 Å²	46.4	38%	0.384	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.6	-172.7	-167.2	-178.7	-58.3	0	0	109.9	T79 Y110 D111 A114	T79-M116 HydrophobicContact CG2-CG 3.57Å; T79-M116 HydrophobicContact CG2-SD 3.7Å; Y110-M116 WeakPolarHBondContact CA-O 3.04Å; D111-M116 HydrophobicContact CB-CB 4.17Å; D111-M116 PolarHBondContact N-O 3.02Å; D111-M116 PolarHBondContact O-N 3.25Å; D111-M116 VanDerWaalsContact O-N 3.13Å; A114-M116 HydrophobicContact CB-CB 3.94Å; A114-M116 HydrophobicContact CB-CE 4.25Å; A114-M116 PolarHBondContact O-N 2.93Å
117	C	90.9	Very high	85.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.9	-178.4	-163.8	0	0	0	0	108.8	T79 Q80 K83 C88	T79-C117 CarbonylContact C-O 3.59Å; T79-C117 VanDerWaalsContact CA-O 3.29Å; T79-C117 WeakPolarHBondContact CA-O 3.35Å; Q80-C117 HydrophobicContact CB-CB 4.28Å; Q80-C117 PolarHBondContact N-O 2.89Å; Q80-C117 PolarHBondContact O-N 3.42Å; K83-C117 HydrophobicContact CB-CB 4.1Å; K83-C117 HydrophobicContact CG-CB 4.44Å; C88-C117 WeakPolarHBondContact CA-SG 3.02Å; C88-C117 HydrophobicContact CB-CB 4.44Å; C88-C117 WeakPolarHBondContact CB-SG 3.47Å; C88-C117 WeakPolarHBondContact SG-CB 3.48Å; C88-C117 CovalentContact SG-SG 2.02Å; C88-C117 PolarHBondContact SG-SG 3.45Å
118	R	91.9	Very high	85.1	Confident	40 Å²	40	48.7 Å²	48.7	15%	0.151	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	96	175.9	-166.1	168.8	78	98.5	-1.2	109.2	L71 S74 A77 Y108 E109 V120	L71-R118 PolarHBondContact O-NH2 3.48Å; S74-R118 PolarHBondContact OG-NH1 3.48Å; A77-R118 HydrophobicContact CB-CG 3.93Å; Y108-R118 CarbonylContact C-O 3.49Å; Y108-R118 WeakPolarHBondContact CA-O 3.32Å; E109-R118 HydrophobicContact CB-CB 4.25Å; E109-R118 PolarHBondContact N-O 3.38Å; E109-R118 PolarHBondContact O-N 2.97Å; E109-R118 IonicContact OE1-CZ 2.91Å; E109-R118 IonicContact OE1-NH2 3.93Å; E109-R118 PolarHBondContact OE1-NH2 2.8Å; E109-R118 IonicContact OE2-CZ 3.2Å; E109-R118 IonicContact OE2-NE 3.68Å; E109-R118 PolarHBondContact OE2-NE 2.03Å; E109-R118 IonicContact OE2-NH2 2.74Å; E109-R118 PolarHBondContact OE2-NH2 3.2Å; R118-V120 HydrophobicContact CG-CG2 4.39Å
119	L	90.9	Very high	84.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.3	174.7	-57.4	177.3	0	0	0	108.5	A77 K78 M91 C92 I103	A77-L119 CarbonylContact C-O 3.52Å; A77-L119 VanDerWaalsContact CA-O 3.29Å; A77-L119 WeakPolarHBondContact CA-O 2.99Å; K78-L119 HydrophobicContact CB-CB 4.47Å; K78-L119 PolarHBondContact N-O 3.25Å; K78-L119 PolarHBondContact O-N 2.99Å; M91-L119 HydrophobicContact CB-CD1 4.07Å; M91-L119 HydrophobicContact CB-CD2 4.35Å; C92-L119 HydrophobicContact CB-CD2 4Å; I103-L119 HydrophobicContact CD1-CD1 3.69Å
120	V	89.8	Confident	84.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.1	-173.3	178	0	0	0	0	110.1	L71 S74 A77 A106 G107 R118 D122 V123	L71-V120 HydrophobicContact CD1-CG1 4.1Å; L71-V120 HydrophobicContact CD1-CG2 4.39Å; S74-V120 VanDerWaalsContact OG-CG1 3.3Å; S74-V120 WeakPolarHBondContact OG-CG1 3.36Å; S74-V120 WeakPolarHBondContact OG-CG2 3.4Å; A77-V120 HydrophobicContact CB-CG2 4.45Å; A106-V120 WeakPolarHBondContact CA-O 3.49Å; A106-V120 PolarHBondContact N-O 2.86Å; G107-V120 PolarHBondContact N-O 3.48Å; G107-V120 VanDerWaalsContact N-O 3.13Å; G107-V120 PolarHBondContact O-N 3.29Å; G107-V120 VanDerWaalsContact O-O 3.11Å; R118-V120 HydrophobicContact CG-CG2 4.39Å; V120-D122 WeakPolarHBondContact CG1-O 3.27Å; V120-V123 HydrophobicContact CB-CG2 4.44Å; V120-V123 HydrophobicContact CG1-CG2 3.69Å
121	G	86.6	Confident	83.9	Confident	20 Å²	20	62.3 Å²	62.3	21%	0.206	32%	0.321	C	S	.	.	S	Bend	trans	-96.4	-12.2	-177	0	0	0	0	0	116.4	S76 S104	S76-G121 PolarHBondContact O-N 2.99Å; S104-G121 WeakPolarHBondContact O-CA 3.38Å
122	D	81.5	Confident	83.5	Confident	105 Å²	105	67 Å²	67	56%	0.561	36%	0.356	S	S	*	.			trans	-146.4	138.3	174.8	-176.3	22.1	0	0	0	110.1	V120	V120-D122 WeakPolarHBondContact CG1-O 3.27Å
123	V	78.8	Confident	83.4	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.085	36%	0.355	C	S	.	.			trans	-144.3	110.8	-164.7	177.4	0	0	0	0	110.1	V51 L71 A106 V120 L125 F136	V51-V123 HydrophobicContact CB-CB 4.3Å; V51-V123 HydrophobicContact CG1-CB 4.15Å; V51-V123 HydrophobicContact CG1-CG2 4.3Å; V51-V123 HydrophobicContact CG2-CB 4Å; V51-V123 HydrophobicContact CG2-CG1 3.96Å; L71-V123 HydrophobicContact CD1-CG1 4.14Å; L71-V123 HydrophobicContact CD1-CG2 4.07Å; L71-V123 HydrophobicContact CD2-CG1 3.95Å; A106-V123 HydrophobicContact CB-CG2 4.05Å; V120-V123 HydrophobicContact CB-CG2 4.44Å; V120-V123 HydrophobicContact CG1-CG2 3.69Å; V123-L125 HydrophobicContact CG1-CD2 4Å; V123-F136 HydrophobicContact CB-CZ 4.48Å; V123-F136 HydrophobicContact CG1-CE1 4.03Å; V123-F136 HydrophobicContact CG1-CZ 3.66Å; V123-F136 HydrophobicContact CG2-CE2 4.28Å; V123-F136 HydrophobicContact CG2-CZ 3.95Å
124	N	81	Confident	83.5	Confident	83 Å²	83	59.3 Å²	59.3	44%	0.444	33%	0.327	S	S	.	.			trans	-90.2	118.1	160.1	-174.8	-1.9	0	0	0	109.2	E126 S127	N124-E126 PolarHBondContact ND2-OE2 2.89Å; N124-E126 PolarHBondContact O-N 3.47Å; N124-E126 WeakPolarHBondContact OD1-CB 3.23Å; N124-E126 WeakPolarHBondContact OD1-CG 3.32Å; N124-E126 PolarHBondContact OD1-N 2.83Å; N124-S127 PolarHBondContact O-N 2.87Å; N124-S127 VanDerWaalsContact O-N 3.09Å; N124-S127 PolarHBondContact O-OG 3.31Å
125	L	77.7	Confident	83.7	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.063	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-67.3	-18	177.7	-64.7	174.5	0	0	0	113.2	H45 I48 V51 V123 S127 L128 F136	H45-L125 PolarHBondContact ND1-O 3.4Å; I48-L125 HydrophobicContact CB-CD1 4.04Å; V51-L125 HydrophobicContact CG2-CD1 4.32Å; V51-L125 HydrophobicContact CG2-CD2 4.32Å; V51-L125 HydrophobicContact CG2-CG 4.16Å; V123-L125 HydrophobicContact CG1-CD2 4Å; L125-S127 VanDerWaalsContact C-N 3.26Å; L125-S127 PolarHBondContact O-N 2.89Å; L125-L128 HydrophobicContact CB-CD1 4.44Å; L125-L128 HydrophobicContact CD2-CD1 3.88Å; L125-F136 HydrophobicContact CD2-CE1 4.2Å
126	E	75.9	Confident	84.1	Confident	143 Å²	143	51.9 Å²	51.9	67%	0.668	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-72.7	-16.1	172.1	-55.4	174.2	141.8	0	0	112.9	N124 L128	N124-E126 PolarHBondContact ND2-OE2 2.89Å; N124-E126 PolarHBondContact O-N 3.47Å; N124-E126 WeakPolarHBondContact OD1-CB 3.23Å; N124-E126 WeakPolarHBondContact OD1-CG 3.32Å; N124-E126 PolarHBondContact OD1-N 2.83Å; E126-L128 VanDerWaalsContact C-N 3.34Å
127	S	79.5	Confident	84.3	Confident	31 Å²	31	48.6 Å²	48.6	22%	0.217	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-90.9	4.5	178.3	80.6	0	0	0	0	114.1	S72 N124 L125 R129	S72-S127 PolarHBondContact N-O 2.89Å; S72-S127 VanDerWaalsContact N-O 3.15Å; S72-S127 PolarHBondContact OG-O 2.92Å; N124-S127 PolarHBondContact O-N 2.87Å; N124-S127 VanDerWaalsContact O-N 3.09Å; N124-S127 PolarHBondContact O-OG 3.31Å; L125-S127 VanDerWaalsContact C-N 3.26Å; L125-S127 PolarHBondContact O-N 2.89Å; S127-R129 PolarHBondContact O-N 3.39Å
128	L	80.8	Confident	84.3	Confident	23 Å²	23	48.6 Å²	48.6	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	121.9	174.4	-71.4	172	0	0	0	111	K69 S70 L71 L125 E126 F136	K69-L128 HydrophobicContact CB-CB 4.31Å; K69-L128 HydrophobicContact CB-CD2 4.06Å; S70-L128 CarbonylContact O-C 3.48Å; S70-L128 WeakPolarHBondContact O-CA 3.09Å; L71-L128 HydrophobicContact CD2-CD2 3.44Å; L71-L128 VanDerWaalsContact CD2-CD2 3.44Å; L71-L128 HydrophobicContact CD2-CG 3.88Å; L71-L128 HydrophobicContact CG-CD2 3.85Å; L125-L128 HydrophobicContact CB-CD1 4.44Å; L125-L128 HydrophobicContact CD2-CD1 3.88Å; E126-L128 VanDerWaalsContact C-N 3.34Å; L128-F136 HydrophobicContact CD1-CD1 4.36Å; L128-F136 HydrophobicContact CD2-CB 4.08Å; L128-F136 HydrophobicContact CD2-CD1 3.55Å; L128-F136 HydrophobicContact CD2-CE1 4.27Å; L128-F136 HydrophobicContact CD2-CG 3.96Å
129	R	84.8	Confident	84.3	Confident	157 Å²	157	46.9 Å²	46.9	59%	0.592	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	155.5	177.1	-57.4	-172.3	-169.4	173.5	9	110.6	K69 S70 S72 S127	K69-R129 VanDerWaalsContact CA-O 3.27Å; K69-R129 WeakPolarHBondContact CA-O 3.25Å; S70-R129 PolarHBondContact N-O 3.06Å; S70-R129 PolarHBondContact O-N 3.32Å; S72-R129 PolarHBondContact OG-NE 3.1Å; S72-R129 PolarHBondContact OG-NH2 3.15Å; S127-R129 PolarHBondContact O-N 3.39Å
130	D	83.3	Confident	84.3	Confident	133 Å²	133	46.9 Å²	46.9	71%	0.711	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	134.1	172.6	-62.1	-74.2	0	0	0	111.3	G68 K69	G68-D130 CarbonylContact O-C 3.54Å; G68-D130 WeakPolarHBondContact O-CA 3.17Å; K69-D130 VanDerWaalsContact NZ-CG 3.3Å; K69-D130 IonicContact NZ-OD1 3.26Å; K69-D130 PolarHBondContact NZ-OD1 2.74Å; K69-D130 IonicContact NZ-OD2 2.7Å; K69-D130 PolarHBondContact NZ-OD2 2.89Å
131	S	81.7	Confident	84.4	Confident	28 Å²	28	47.2 Å²	47.2	20%	0.196	27%	0.269	C	S	.	.			trans	-142.3	126	-168.4	-176.9	0	0	0	0	110.1	G68 S70 G133 P134	G68-S131 CarbonylContact C-O 3.59Å; G68-S131 WeakPolarHBondContact CA-O 3.34Å; G68-S131 PolarHBondContact O-N 3.42Å; S70-S131 WeakPolarHBondContact OG-CB 3.34Å; S70-S131 PolarHBondContact OG-OG 3.41Å; S131-G133 PolarHBondContact OG-N 2.95Å; S131-P134 WeakPolarHBondContact CB-O 3.37Å; S131-P134 PolarHBondContact OG-O 3.08Å
132	S	79.9	Confident	84.7	Confident	133 Å²	133	46.3 Å²	46.3	93%	0.93	26%	0.26	S	S	*	.	S	Bend	trans	-95.7	1.3	169.7	54.3	0	0	0	0	113.3
133	G	78.2	Confident	85.2	Confident	34 Å²	34	45.8 Å²	45.8	35%	0.351	25%	0.252	S	S	.	.	S	Bend	trans	-113.6	-108.3	-178.7	0	0	0	0	0	111.6	S131	S131-G133 PolarHBondContact OG-N 2.95Å
134	P	84.1	Confident	85.6	Confident	36 Å²	36	45.2 Å²	45.2	23%	0.234	25%	0.249	C	C	.	.			trans	-63.9	141.7	178.6	26.7	-34.1	0	0	0	111.9	E109 Y110 D111 S131	E109-P134 HydrophobicContact CB-CB 4.4Å; Y110-P134 WeakPolarHBondContact O-CA 3.03Å; D111-P134 HydrophobicContact CB-CB 4.22Å; S131-P134 WeakPolarHBondContact CB-O 3.37Å; S131-P134 PolarHBondContact OG-O 3.08Å
135	A	88.3	Confident	85.8	Confident	17 Å²	17	48.2 Å²	48.2	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	145.6	173.2	0	0	0	0	0	111	L65 K69 E109 Y110 Y137	L65-A135 HydrophobicContact CD1-CB 3.93Å; K69-A135 CarbonylContact O-C 3.58Å; K69-A135 WeakPolarHBondContact O-CA 3.43Å; E109-A135 VanDerWaalsContact CA-O 3.29Å; E109-A135 WeakPolarHBondContact CA-O 3.31Å; Y110-A135 PolarHBondContact N-O 3.48Å; Y110-A135 VanDerWaalsContact N-O 3.1Å; Y110-A135 PolarHBondContact O-N 3.49Å; Y110-A135 VanDerWaalsContact O-N 3.14Å; A135-Y137 HydrophobicContact CB-CE2 4.05Å; A135-Y137 WeakPolarHBondContact O-CD2 3.38Å; A135-Y137 WeakPolarHBondContact O-CE2 3.5Å
136	F	91.7	Very high	86.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.5	-177.7	177	-114.1	0	0	0	113.7	H66 K69 L71 Y108 E109 V123 L125 L128 Q138	H66-F136 HydrophobicContact CB-CD1 4.4Å; H66-F136 AromaticContact CD2-CD1 3.79Å; H66-F136 PolarHBondContact N-O 2.74Å; K69-F136 WeakPolarHBondContact O-CB 3.39Å; K69-F136 PolarHBondContact O-N 2.87Å; L71-F136 HydrophobicContact CD1-CD2 3.73Å; L71-F136 HydrophobicContact CD1-CE2 3.54Å; L71-F136 HydrophobicContact CD1-CG 4.38Å; L71-F136 HydrophobicContact CD1-CZ 4.02Å; L71-F136 HydrophobicContact CG-CD2 4.06Å; L71-F136 HydrophobicContact CG-CE2 4.26Å; L71-F136 HydrophobicContact CG-CG 4.25Å; Y108-F136 WeakPolarHBondContact O-CD2 3.24Å; E109-F136 HydrophobicContact CG-CB 4.26Å; E109-F136 HydrophobicContact CG-CD2 3.95Å; V123-F136 HydrophobicContact CB-CZ 4.48Å; V123-F136 HydrophobicContact CG1-CE1 4.03Å; V123-F136 HydrophobicContact CG1-CZ 3.66Å; V123-F136 HydrophobicContact CG2-CE2 4.28Å; V123-F136 HydrophobicContact CG2-CZ 3.95Å; L125-F136 HydrophobicContact CD2-CE1 4.2Å; L128-F136 HydrophobicContact CD1-CD1 4.36Å; L128-F136 HydrophobicContact CD2-CB 4.08Å; L128-F136 HydrophobicContact CD2-CD1 3.55Å; L128-F136 HydrophobicContact CD2-CE1 4.27Å; L128-F136 HydrophobicContact CD2-CG 3.96Å; F136-Q138 HydrophobicContact CE1-CB 3.73Å; F136-Q138 HydrophobicContact CZ-CB 4.02Å
137	Y	92.8	Very high	86.9	Confident	9 Å²	9	46.2 Å²	46.2	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	101.1	-178.5	-61.4	-96	0	0	0	109.3	I64 L65 I85 G107 Y108 A135 F152	I64-Y137 WeakPolarHBondContact O-CA 3.42Å; L65-Y137 HydrophobicContact CB-CD1 4.1Å; L65-Y137 HydrophobicContact CB-CE1 3.97Å; L65-Y137 HydrophobicContact CD1-CD1 4.23Å; L65-Y137 HydrophobicContact CD1-CE1 3.75Å; L65-Y137 HydrophobicContact CD1-CE2 4.2Å; L65-Y137 HydrophobicContact CD2-CE1 4.07Å; L65-Y137 HydrophobicContact CG-CE1 4.14Å; I85-Y137 HydrophobicContact CD1-CE1 3.92Å; I85-Y137 HydrophobicContact CD1-CE2 4.3Å; I85-Y137 VanDerWaalsContact CD1-OH 3.32Å; I85-Y137 WeakPolarHBondContact CD1-OH 3.22Å; G107-Y137 CarbonylContact C-O 3.12Å; G107-Y137 WeakPolarHBondContact CA-O 3.46Å; Y108-Y137 AromaticContact CD2-CD2 3.84Å; Y108-Y137 HydrophobicContact CD2-CD2 3.84Å; Y108-Y137 HydrophobicContact CD2-CG 4.18Å; Y108-Y137 HydrophobicContact CE1-CG 4.11Å; Y108-Y137 HydrophobicContact CE2-CD1 4.25Å; Y108-Y137 AromaticContact CE2-CD2 3.37Å; Y108-Y137 HydrophobicContact CE2-CD2 3.37Å; Y108-Y137 HydrophobicContact CE2-CE2 4.03Å; Y108-Y137 AromaticContact CE2-CG 3.52Å; Y108-Y137 HydrophobicContact CE2-CG 3.52Å; Y108-Y137 VanDerWaalsContact CZ-CB 3.49Å; Y108-Y137 AromaticContact CZ-CD1 3.93Å; Y108-Y137 AromaticContact CZ-CD2 3.86Å; Y108-Y137 AromaticContact CZ-CG 3.48Å; Y108-Y137 VanDerWaalsContact CZ-CG 3.48Å; Y108-Y137 PolarHBondContact N-O 2.74Å; Y108-Y137 WeakPolarHBondContact O-CB 3.43Å; Y108-Y137 PolarHBondContact O-N 3.11Å; A135-Y137 HydrophobicContact CB-CE2 4.05Å; A135-Y137 WeakPolarHBondContact O-CD2 3.38Å; A135-Y137 WeakPolarHBondContact O-CE2 3.5Å; Y137-F152 HydrophobicContact CD1-CB 4.09Å; Y137-F152 HydrophobicContact CE1-CB 4.27Å; Y137-F152 HydrophobicContact CE1-CD1 4.18Å; Y137-F152 HydrophobicContact CE1-CG 4.36Å
138	Q	91.4	Very high	87.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	134.6	177.7	177.7	-179.2	-11.5	0	0	110.4	S49 V51 F63 I64 H66 F136	S49-Q138 PolarHBondContact O-NE2 3.12Å; V51-Q138 HydrophobicContact CG1-CG 4.13Å; V51-Q138 HydrophobicContact CG2-CG 4.27Å; F63-Q138 CarbonylContact C-O 3.56Å; F63-Q138 WeakPolarHBondContact CA-O 3Å; I64-Q138 HydrophobicContact CB-CB 4.44Å; I64-Q138 PolarHBondContact N-O 3.19Å; I64-Q138 PolarHBondContact O-N 3.06Å; H66-Q138 PolarHBondContact NE2-OE1 2.82Å; F136-Q138 HydrophobicContact CE1-CB 3.73Å; F136-Q138 HydrophobicContact CZ-CB 4.02Å
139	K	92	Very high	87.3	Confident	4 Å²	4	47 Å²	47	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.7	168.9	-164.6	174.7	-179.4	175.6	0	110.4	S53 F63 C92 N95 C105 A106	S53-K139 PolarHBondContact O-NZ 2.64Å; F63-K139 HydrophobicContact CD1-CB 4.05Å; F63-K139 HydrophobicContact CD1-CG 4.28Å; F63-K139 HydrophobicContact CE1-CB 3.87Å; F63-K139 HydrophobicContact CE1-CD 4.24Å; F63-K139 HydrophobicContact CE1-CG 3.81Å; C92-K139 WeakPolarHBondContact O-CE 3.4Å; C92-K139 PolarHBondContact O-NZ 2.9Å; N95-K139 PolarHBondContact OD1-NZ 3.15Å; C105-K139 WeakPolarHBondContact O-CD 3.28Å; C105-K139 PolarHBondContact O-NZ 3.12Å; A106-K139 WeakPolarHBondContact O-CB 3.43Å; A106-K139 PolarHBondContact O-N 3.37Å
140	G	90.6	Very high	87.4	Confident	3 Å²	3	40.3 Å²	40.3	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	168.6	173.6	0	0	0	0	0	111.1	P61 I62	P61-G140 WeakPolarHBondContact CA-O 3.45Å; I62-G140 WeakPolarHBondContact CG1-O 3.21Å; I62-G140 PolarHBondContact N-O 2.82Å; I62-G140 PolarHBondContact O-N 2.82Å; I62-G140 VanDerWaalsContact O-O 3.1Å
141	C	91.9	Very high	87.7	Confident	7 Å²	7	34 Å²	34	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.4	-176	-60.5	0	0	0	0	109.1	Q52 C55 E59	Q52-C141 PolarHBondContact OE1-SG 3.03Å; C55-C141 WeakPolarHBondContact CA-SG 3.32Å; C55-C141 HydrophobicContact CB-CB 3.64Å; C55-C141 WeakPolarHBondContact CB-SG 3.27Å; C55-C141 WeakPolarHBondContact SG-CB 3.33Å; C55-C141 CovalentContact SG-SG 2.03Å; C55-C141 PolarHBondContact SG-SG 3.2Å; E59-C141 HydrophobicContact CB-CB 4.14Å; E59-C141 HydrophobicContact CG-CB 4.43Å; E59-C141 WeakPolarHBondContact OE2-CB 3.45Å
142	V	92.4	Very high	88.2	Confident	1 Å²	1	33 Å²	33	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.2	-176.5	68	0	0	0	0	111.4	T60 I62 S144 A147 W179 K180 L183	T60-V142 PolarHBondContact N-O 3.04Å; T60-V142 PolarHBondContact O-N 2.85Å; I62-V142 HydrophobicContact CD1-CB 4.07Å; I62-V142 HydrophobicContact CD1-CG1 3.98Å; I62-V142 HydrophobicContact CG1-CG1 4.25Å; I62-V142 HydrophobicContact CG2-CG1 3.8Å; V142-S144 PolarHBondContact O-N 3.23Å; V142-A147 HydrophobicContact CG1-CB 4.39Å; V142-W179 HydrophobicContact CG2-CB 4.34Å; V142-K180 HydrophobicContact CG2-CB 3.88Å; V142-L183 HydrophobicContact CG1-CD1 4.12Å; V142-L183 HydrophobicContact CG2-CD1 4.35Å
143	K	91.9	Very high	88.9	Confident	94 Å²	94	26.8 Å²	26.8	41%	0.409	16%	0.159	S	C	.	.	S	Bend	trans	-81.4	62.4	177.6	-63.8	-172.7	-169.7	-69.3	0	111.1	S56 D58 E59 K180	S56-K143 PolarHBondContact OG-NZ 3.08Å; D58-K143 VanDerWaalsContact CG-NZ 3.31Å; D58-K143 IonicContact OD1-NZ 2.76Å; D58-K143 PolarHBondContact OD1-NZ 3.08Å; D58-K143 IonicContact OD2-NZ 2.76Å; D58-K143 PolarHBondContact OD2-NZ 3.36Å; E59-K143 HydrophobicContact CG-CD 4.32Å; E59-K143 HydrophobicContact CG-CG 3.44Å; E59-K143 VanDerWaalsContact CG-CG 3.44Å; E59-K143 WeakPolarHBondContact OE1-CE 3.37Å; E59-K143 IonicContact OE1-NZ 3.32Å; E59-K143 PolarHBondContact OE1-NZ 3.16Å; K143-K180 WeakPolarHBondContact O-CD 3.34Å; K143-K180 WeakPolarHBondContact O-CE 3.29Å
144	S	88.6	Confident	89.6	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.014	14%	0.142	C	C	.	.			trans	-147.8	142.1	178	-168.5	0	0	0	0	112.6	T60 V142 Q146 E184	T60-S144 WeakPolarHBondContact CB-O 3.48Å; T60-S144 PolarHBondContact OG1-O 2.9Å; V142-S144 PolarHBondContact O-N 3.23Å; S144-Q146 VanDerWaalsContact C-N 3.31Å; S144-Q146 PolarHBondContact OG-N 3.31Å; S144-Q146 VanDerWaalsContact OG-N 3.17Å; S144-E184 WeakPolarHBondContact CA-OE1 3.05Å; S144-E184 WeakPolarHBondContact CB-OE1 3.17Å; S144-E184 WeakPolarHBondContact OG-CG 3.35Å; S144-E184 PolarHBondContact OG-OE1 3.46Å
145	N	85.1	Confident	90.1	Very high	146 Å²	146	23.6 Å²	23.6	78%	0.781	13%	0.132	S	C	*	.	S	Bend	trans	-92.8	14.3	171	-62.6	-7.6	0	0	0	112
146	Q	87.7	Confident	90.3	Very high	88 Å²	88	23.1 Å²	23.1	41%	0.411	13%	0.127	S	C	.	.			trans	-105.5	3.6	179.3	-60	-61.9	-96.6	0	0	113.4	S144 C148 L183 E184	S144-Q146 VanDerWaalsContact C-N 3.31Å; S144-Q146 PolarHBondContact OG-N 3.31Å; S144-Q146 VanDerWaalsContact OG-N 3.17Å; Q146-C148 PolarHBondContact O-N 3.1Å; Q146-L183 HydrophobicContact CB-CB 4.07Å; Q146-E184 HydrophobicContact CG-CG 4.12Å
147	A	87.7	Confident	90.3	Very high	24 Å²	24	25.1 Å²	25.1	20%	0.198	14%	0.137	C	C	.	.			trans	-63.7	124.7	171.1	0	0	0	0	0	110.7	T60 I62 V142 L183	T60-A147 HydrophobicContact CG2-CB 3.89Å; I62-A147 HydrophobicContact CG2-CB 3.57Å; V142-A147 HydrophobicContact CG1-CB 4.39Å; A147-L183 HydrophobicContact CB-CD1 4.22Å
148	C	87.6	Confident	90.1	Very high	25 Å²	25	26.4 Å²	26.4	17%	0.169	15%	0.148	C	C	.	.			trans	-73	156.7	179.1	60.4	0	0	0	0	112.6	Q146 S150 C234 N284	Q146-C148 PolarHBondContact O-N 3.1Å; C148-S150 PolarHBondContact O-N 2.93Å; C148-C234 HydrophobicContact CB-CB 3.56Å; C148-C234 WeakPolarHBondContact CB-SG 3.43Å; C148-C234 PolarHBondContact N-SG 2.7Å; C148-C234 WeakPolarHBondContact SG-CA 3.48Å; C148-C234 WeakPolarHBondContact SG-CB 3.31Å; C148-C234 CovalentContact SG-SG 2.04Å; C148-C234 PolarHBondContact SG-SG 3.4Å; C148-N284 HydrophobicContact CB-CB 4.26Å
149	S	81.6	Confident	90.1	Very high	46 Å²	46	26.9 Å²	26.9	32%	0.322	15%	0.15	S	C	.	.	S	Bend	trans	-86.9	100.4	168.9	-177.2	0	0	0	0	109.6	S282 N284	S149-S282 WeakPolarHBondContact CB-O 3.41Å; S149-S282 PolarHBondContact OG-O 2.77Å; S149-N284 VanDerWaalsContact O-CB 3.32Å; S149-N284 WeakPolarHBondContact O-CB 3.45Å; S149-N284 PolarHBondContact O-N 3.48Å; S149-N284 VanDerWaalsContact O-N 3.07Å
150	S	87.1	Confident	90.2	Very high	17 Å²	17	28.4 Å²	28.4	12%	0.119	16%	0.156	C	C	.	.	S	Bend	trans	-154.1	158.7	-179.3	156.6	0	0	0	0	107.8	C148 F152 N233 D301	C148-S150 PolarHBondContact O-N 2.93Å; S150-F152 PolarHBondContact O-N 3.09Å; S150-F152 VanDerWaalsContact O-N 3.15Å; S150-F152 PolarHBondContact OG-N 3.07Å; S150-F152 PolarHBondContact OG-O 2.96Å; S150-N233 PolarHBondContact OG-ND2 3.29Å; S150-D301 WeakPolarHBondContact CB-OD2 3.05Å; S150-D301 PolarHBondContact OG-OD2 3.35Å
151	P	89.5	Confident	90.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.161	C	C	.	.	S	Bend	trans	-54.1	-24.4	167.6	-22.8	31.8	0	0	0	114.9	F63 I85 E86 Y108	F63-P151 WeakPolarHBondContact CB-O 3.18Å; F63-P151 WeakPolarHBondContact CD2-O 3.38Å; I85-P151 HydrophobicContact CD1-CB 3.76Å; I85-P151 HydrophobicContact CD1-CG 4.21Å; I85-P151 HydrophobicContact CG1-CB 3.81Å; I85-P151 HydrophobicContact CG1-CG 4.22Å; I85-P151 HydrophobicContact CG2-CB 4.44Å; I85-P151 HydrophobicContact CG2-CG 3.88Å; E86-P151 HydrophobicContact CG-CG 4.04Å; Y108-P151 PolarHBondContact OH-O 3.26Å
152	F	92.3	Very high	90.5	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	16%	0.159	C	C	.	.			trans	-150.9	139.8	176	66.1	-70	0	0	0	112	F63 L65 Y137 S150 E155 N233 R309	F63-F152 HydrophobicContact CB-CB 4.38Å; L65-F152 HydrophobicContact CB-CB 4.31Å; L65-F152 HydrophobicContact CB-CD2 3.97Å; L65-F152 HydrophobicContact CB-CG 4.15Å; L65-F152 HydrophobicContact CD2-CD2 4.35Å; L65-F152 HydrophobicContact CD2-CE2 4.35Å; Y137-F152 HydrophobicContact CD1-CB 4.09Å; Y137-F152 HydrophobicContact CE1-CB 4.27Å; Y137-F152 HydrophobicContact CE1-CD1 4.18Å; Y137-F152 HydrophobicContact CE1-CG 4.36Å; S150-F152 PolarHBondContact O-N 3.09Å; S150-F152 VanDerWaalsContact O-N 3.15Å; S150-F152 PolarHBondContact OG-N 3.07Å; S150-F152 PolarHBondContact OG-O 2.96Å; F152-E155 HydrophobicContact CD2-CB 4.44Å; F152-E155 HydrophobicContact CE2-CB 4.18Å; F152-N233 HydrophobicContact CD2-CB 3.88Å; F152-N233 WeakPolarHBondContact CE1-ND2 3.47Å; F152-N233 HydrophobicContact CE2-CB 3.51Å; F152-N233 HydrophobicContact CZ-CB 3.95Å; F152-N233 VanDerWaalsContact CZ-ND2 3.28Å; F152-N233 WeakPolarHBondContact CZ-ND2 3.48Å; F152-N233 WeakPolarHBondContact CZ-OD1 3.47Å; F152-N233 VanDerWaalsContact O-CB 3.3Å; F152-N233 WeakPolarHBondContact O-CB 3.42Å; F152-N233 PolarHBondContact O-ND2 2.86Å; F152-R309 VanDerWaalsContact CZ-CZ 3.41Å
153	A	94.1	Very high	90.4	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	18%	0.179	C	C	.	.	S	Bend	trans	-87.3	-32.1	176.8	0	0	0	0	0	112	I62 F63 N233	I62-A153 HydrophobicContact CB-CB 3.9Å; I62-A153 HydrophobicContact CG2-CB 3.93Å; F63-A153 PolarHBondContact O-N 3.44Å; A153-N233 WeakPolarHBondContact O-CB 3.44Å; A153-N233 PolarHBondContact O-N 3.25Å
154	F	94.5	Very high	90	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.2	-176.6	-60	-69.7	0	0	0	112.4	I62 F63 I64 L65 W179 C182 L183 F230 D231	I62-F154 HydrophobicContact CD1-CD2 3.98Å; I62-F154 HydrophobicContact CD1-CE2 3.81Å; F63-F154 PolarHBondContact O-N 3Å; I64-F154 WeakPolarHBondContact CA-O 3.4Å; I64-F154 HydrophobicContact CG1-CB 4.38Å; I64-F154 HydrophobicContact CG1-CD2 4.49Å; I64-F154 HydrophobicContact CG2-CB 4.44Å; L65-F154 PolarHBondContact N-O 3.33Å; F154-W179 HydrophobicContact CD2-CB 4.4Å; F154-W179 AromaticContact CD2-CD1 3.57Å; F154-W179 HydrophobicContact CD2-CD2 4.14Å; F154-W179 AromaticContact CD2-CG 3.81Å; F154-W179 HydrophobicContact CD2-CG 3.81Å; F154-W179 AromaticContact CD2-NE1 3.82Å; F154-W179 HydrophobicContact CE2-CB 3.51Å; F154-W179 AromaticContact CE2-CD1 3.47Å; F154-W179 VanDerWaalsContact CE2-CD1 3.47Å; F154-W179 HydrophobicContact CE2-CD2 4.06Å; F154-W179 AromaticContact CE2-CG 3.4Å; F154-W179 HydrophobicContact CE2-CG 3.4Å; F154-W179 AromaticContact CG-CD1 3.95Å; F154-W179 HydrophobicContact CZ-CB 3.69Å; F154-W179 AromaticContact CZ-CD1 3.74Å; F154-W179 AromaticContact CZ-CG 3.86Å; F154-W179 HydrophobicContact CZ-CG 3.86Å; F154-C182 HydrophobicContact CE1-CB 4.49Å; F154-L183 HydrophobicContact CE2-CD1 4.32Å; F154-L183 HydrophobicContact CZ-CD1 4.04Å; F154-L183 HydrophobicContact CZ-CD2 4.1Å; F154-L183 HydrophobicContact CZ-CG 3.81Å; F154-F230 HydrophobicContact CB-CB 4.44Å; F154-F230 HydrophobicContact CB-CD2 4.43Å; F154-F230 AromaticContact CD1-CD2 3.4Å; F154-F230 HydrophobicContact CD1-CD2 3.4Å; F154-F230 AromaticContact CD1-CE2 3.72Å; F154-F230 HydrophobicContact CD1-CE2 3.72Å; F154-F230 HydrophobicContact CD1-CG 4.37Å; F154-F230 AromaticContact CE1-CD2 3.83Å; F154-F230 HydrophobicContact CE1-CD2 3.83Å; F154-F230 AromaticContact CE1-CE2 3.62Å; F154-F230 HydrophobicContact CE1-CE2 3.62Å; F154-F230 HydrophobicContact CG-CD2 4.09Å; F154-F230 HydrophobicContact CZ-CE2 4.37Å; F154-D231 VanDerWaalsContact CA-O 3.31Å; F154-D231 WeakPolarHBondContact CA-O 3.06Å
155	E	93.3	Very high	90	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.019	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.3	171.1	-175.3	175.8	115.2	0	0	109.6	L65 Q67 F152 K212 Y213 F230 D231 R309	L65-E155 HydrophobicContact CB-CG 4.39Å; L65-E155 HydrophobicContact CD2-CG 4.22Å; L65-E155 WeakPolarHBondContact CD2-OE2 3.49Å; L65-E155 HydrophobicContact CG-CG 4.22Å; Q67-E155 HydrophobicContact CG-CG 3.56Å; Q67-E155 VanDerWaalsContact CG-OE1 3.25Å; Q67-E155 WeakPolarHBondContact CG-OE1 3.35Å; Q67-E155 PolarHBondContact NE2-OE1 3.42Å; Q67-E155 PolarHBondContact NE2-OE2 2.82Å; F152-E155 HydrophobicContact CD2-CB 4.44Å; F152-E155 HydrophobicContact CE2-CB 4.18Å; E155-K212 IonicContact OE1-NZ 2.75Å; E155-K212 PolarHBondContact OE1-NZ 3.18Å; E155-Y213 PolarHBondContact OE1-OH 3.2Å; E155-F230 CarbonylContact O-C 2.92Å; E155-F230 WeakPolarHBondContact O-CA 3.37Å; E155-F230 WeakPolarHBondContact O-CB 3.41Å; E155-D231 HydrophobicContact CB-CB 4.45Å; E155-D231 PolarHBondContact N-O 2.81Å; E155-D231 VanDerWaalsContact N-O 3.09Å; E155-D231 PolarHBondContact O-N 3.1Å; E155-R309 WeakPolarHBondContact OE2-CD 3.02Å; E155-R309 IonicContact OE2-CZ 2.87Å; E155-R309 IonicContact OE2-NE 3.69Å; E155-R309 IonicContact OE2-NH1 3.11Å; E155-R309 PolarHBondContact OE2-NH1 2.79Å
156	L	93	Very high	90.2	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.1	-165	-175.1	153.7	0	0	0	112.2	I48 I64 L65 V228	I48-L156 HydrophobicContact CD1-CD1 3.91Å; I48-L156 HydrophobicContact CD1-CD2 3.6Å; I48-L156 HydrophobicContact CD1-CG 4.44Å; I48-L156 HydrophobicContact CG1-CD1 4.5Å; I48-L156 HydrophobicContact CG2-CD1 4.01Å; I64-L156 HydrophobicContact CG2-CB 3.61Å; I64-L156 HydrophobicContact CG2-CD1 3.96Å; I64-L156 HydrophobicContact CG2-CG 4.46Å; L65-L156 PolarHBondContact O-N 2.62Å; L156-V228 HydrophobicContact CD1-CG1 3.73Å; L156-V228 HydrophobicContact CD2-CG1 3.89Å; L156-V228 HydrophobicContact CG-CG1 3.56Å
157	I	90.9	Very high	90.4	Very high	42 Å²	42	31 Å²	31	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.5	171.2	-53.5	179.7	0	0	0	110.3	K160 K212 F219 Y229	I157-K160 HydrophobicContact CB-CG 4.44Å; I157-K160 HydrophobicContact CG2-CB 4.15Å; I157-K160 HydrophobicContact CG2-CG 3.56Å; I157-K212 HydrophobicContact CD1-CD 3.75Å; I157-F219 HydrophobicContact CB-CZ 4.41Å; I157-F219 HydrophobicContact CD1-CE1 4.01Å; I157-F219 HydrophobicContact CD1-CZ 3.9Å; I157-F219 HydrophobicContact CG2-CZ 4.5Å; I157-Y229 PolarHBondContact N-O 3.14Å; I157-Y229 WeakPolarHBondContact O-CB 3.25Å; I157-Y229 PolarHBondContact O-N 3.44Å
158	S	88.6	Confident	90.6	Very high	37 Å²	37	33.7 Å²	33.7	26%	0.259	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	147.5	175.5	-58.9	0	0	0	0	112.5	K160	S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 2.77Å
159	Q	91.2	Very high	91	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.047	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	34.2	173.7	-69.8	-62.3	-26.8	0	0	115.3	I40 V44 E221 E222 D225 V227	I40-Q159 VanDerWaalsContact CG2-NE2 3.27Å; V44-Q159 HydrophobicContact CG2-CG 4.04Å; Q159-E221 WeakPolarHBondContact O-CA 3.3Å; Q159-E222 PolarHBondContact O-N 3.37Å; Q159-E222 PolarHBondContact OE1-O 2.93Å; Q159-E222 VanDerWaalsContact OE1-O 3.05Å; Q159-D225 PolarHBondContact NE2-O 2.86Å; Q159-D225 PolarHBondContact OE1-O 3.32Å; Q159-V227 PolarHBondContact N-O 2.95Å
160	K	93.8	Very high	91.6	Very high	35 Å²	35	35.6 Å²	35.6	15%	0.152	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150	172.2	-79.1	-64.9	-156.6	-174.4	0	111.1	I157 S158 F219 V220 E221	I157-K160 HydrophobicContact CB-CG 4.44Å; I157-K160 HydrophobicContact CG2-CB 4.15Å; I157-K160 HydrophobicContact CG2-CG 3.56Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 2.77Å; K160-F219 HydrophobicContact CB-CD2 4.5Å; K160-F219 HydrophobicContact CB-CE1 4.17Å; K160-F219 HydrophobicContact CB-CE2 3.64Å; K160-F219 HydrophobicContact CB-CZ 3.44Å; K160-F219 VanDerWaalsContact CB-CZ 3.44Å; K160-F219 HydrophobicContact CD-CD1 4.12Å; K160-F219 HydrophobicContact CD-CE1 3.77Å; K160-F219 HydrophobicContact CD-CE2 4.42Å; K160-F219 HydrophobicContact CD-CZ 3.94Å; K160-F219 HydrophobicContact CG-CE1 3.71Å; K160-F219 HydrophobicContact CG-CE2 4.13Å; K160-F219 HydrophobicContact CG-CZ 3.48Å; K160-F219 VanDerWaalsContact CG-CZ 3.48Å; K160-F219 PolarHBondContact NZ-O 3.05Å; K160-V220 WeakPolarHBondContact CA-O 3.26Å; K160-V220 WeakPolarHBondContact CD-O 3.3Å; K160-E221 WeakPolarHBondContact CD-OE1 3.39Å; K160-E221 WeakPolarHBondContact CE-OE1 3.35Å; K160-E221 IonicContact NZ-OE1 2.67Å; K160-E221 PolarHBondContact NZ-OE1 2.86Å
161	I	95.3	Very high	91.9	Very high	24 Å²	24	39.4 Å²	39.4	12%	0.123	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154	170.6	59.7	173.3	0	0	0	110.6	V163 M197 Y199 F219 V220 E222 V227	I161-V163 HydrophobicContact CD1-CG2 4.23Å; I161-V163 HydrophobicContact CG1-CG2 4.44Å; I161-M197 VanDerWaalsContact CA-SD 3.54Å; I161-M197 HydrophobicContact CB-SD 3.61Å; I161-M197 HydrophobicContact CG2-SD 3.85Å; I161-Y199 WeakPolarHBondContact CG2-OH 3.01Å; I161-F219 CarbonylContact O-C 3.53Å; I161-F219 WeakPolarHBondContact O-CA 3.34Å; I161-V220 HydrophobicContact CD1-CG2 3.85Å; I161-V220 HydrophobicContact CG1-CG2 3.52Å; I161-V220 PolarHBondContact N-O 2.74Å; I161-V220 PolarHBondContact O-N 2.79Å; I161-V220 VanDerWaalsContact O-N 3.14Å; I161-E222 HydrophobicContact CG2-CB 4.1Å; I161-V227 HydrophobicContact CG2-CG1 3.94Å; I161-V227 HydrophobicContact CG2-CG2 4.02Å
162	L	94.3	Very high	92	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109	170.6	179.5	60.9	0	0	0	108.8	Y165 M197 E210 R215 L218 Y229	L162-Y165 HydrophobicContact CD1-CD2 4.4Å; L162-Y165 HydrophobicContact CG-CD2 4.32Å; L162-M197 PolarHBondContact N-SD 2.66Å; L162-E210 HydrophobicContact CD2-CB 4.34Å; L162-E210 WeakPolarHBondContact CD2-O 3.3Å; L162-R215 HydrophobicContact CD1-CB 4Å; L162-L218 HydrophobicContact CD1-CB 4.09Å; L162-Y229 HydrophobicContact CB-CD2 4.37Å; L162-Y229 HydrophobicContact CB-CE2 3.67Å; L162-Y229 HydrophobicContact CD2-CE2 4.29Å
163	V	90.6	Very high	91.9	Very high	71 Å²	71	42.8 Å²	42.8	43%	0.43	26%	0.262	S	S	.	.			trans	-74.7	147	-174.9	-175.2	0	0	0	0	110.8	I161 Y165 L218 V220	I161-V163 HydrophobicContact CD1-CG2 4.23Å; I161-V163 HydrophobicContact CG1-CG2 4.44Å; V163-Y165 VanDerWaalsContact C-N 3.29Å; V163-Y165 WeakPolarHBondContact O-CD2 3.44Å; V163-Y165 PolarHBondContact O-N 2.86Å; V163-Y165 VanDerWaalsContact O-N 3.11Å; V163-L218 HydrophobicContact CB-CB 4.15Å; V163-L218 HydrophobicContact CB-CD1 4.35Å; V163-L218 PolarHBondContact N-O 2.82Å; V163-L218 VanDerWaalsContact O-CD1 3.26Å; V163-L218 WeakPolarHBondContact O-CD1 3.32Å; V163-V220 HydrophobicContact CG2-CG2 3.95Å
164	G	83.5	Confident	91.7	Very high	70 Å²	70	44.7 Å²	44.7	72%	0.722	28%	0.275	S	S	*	.	S	Bend	trans	82.1	-25	167.8	0	0	0	0	0	117.3
165	Y	87.8	Confident	91.6	Very high	48 Å²	48	44.8 Å²	44.8	19%	0.188	28%	0.276	C	S	.	.			trans	-98.5	10.6	-171.7	-66.2	-74	0	0	0	115.9	L162 V163 K167 N208 T209 E210 R215 L218	L162-Y165 HydrophobicContact CD1-CD2 4.4Å; L162-Y165 HydrophobicContact CG-CD2 4.32Å; V163-Y165 VanDerWaalsContact C-N 3.29Å; V163-Y165 WeakPolarHBondContact O-CD2 3.44Å; V163-Y165 PolarHBondContact O-N 2.86Å; V163-Y165 VanDerWaalsContact O-N 3.11Å; Y165-K167 PolarHBondContact O-N 2.84Å; Y165-N208 VanDerWaalsContact O-CA 3.22Å; Y165-N208 WeakPolarHBondContact O-CA 3.41Å; Y165-T209 PolarHBondContact O-N 3.23Å; Y165-E210 HydrophobicContact CD1-CB 4.16Å; Y165-E210 HydrophobicContact CD1-CG 3.32Å; Y165-E210 HydrophobicContact CD2-CB 4.44Å; Y165-E210 HydrophobicContact CD2-CG 4.36Å; Y165-E210 HydrophobicContact CE1-CG 3.74Å; Y165-E210 HydrophobicContact CG-CB 3.97Å; Y165-E210 HydrophobicContact CG-CG 3.67Å; Y165-R215 HydrophobicContact CD2-CB 4.38Å; Y165-R215 HydrophobicContact CD2-CG 4.1Å; Y165-R215 HydrophobicContact CE2-CB 3.99Å; Y165-R215 HydrophobicContact CE2-CG 3.46Å; Y165-R215 VanDerWaalsContact CE2-CG 3.46Å; Y165-R215 VanDerWaalsContact OH-CZ 3.29Å; Y165-R215 PolarHBondContact OH-NE 2.82Å; Y165-R215 PolarHBondContact OH-NH1 2.81Å; Y165-L218 HydrophobicContact CD2-CD1 4.4Å; Y165-L218 HydrophobicContact CE2-CD1 3.82Å
166	A	89.8	Confident	91.5	Very high	56 Å²	56	47.3 Å²	47.3	46%	0.463	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	118.1	173.1	0	0	0	0	0	111.5	I206 N208	A166-I206 HydrophobicContact CB-CG2 3.4Å; A166-N208 WeakPolarHBondContact CA-OD1 3.46Å
167	K	91.4	Very high	91.6	Very high	125 Å²	125	51 Å²	51	54%	0.543	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-36.1	-175.6	-176.2	60.4	174	-176.9	0	113.7	Y165 F191 L207 T209	Y165-K167 PolarHBondContact O-N 2.84Å; K167-F191 HydrophobicContact CB-CD2 4.27Å; K167-F191 HydrophobicContact CB-CE1 4.32Å; K167-F191 HydrophobicContact CB-CE2 3.76Å; K167-F191 HydrophobicContact CB-CZ 3.78Å; K167-F191 HydrophobicContact CG-CD1 3.75Å; K167-F191 HydrophobicContact CG-CD2 3.72Å; K167-F191 HydrophobicContact CG-CE1 3.63Å; K167-F191 HydrophobicContact CG-CE2 3.62Å; K167-F191 HydrophobicContact CG-CG 3.8Å; K167-F191 HydrophobicContact CG-CZ 3.57Å; K167-L207 WeakPolarHBondContact CB-O 3.22Å; K167-L207 PolarHBondContact N-O 3Å; K167-T209 HydrophobicContact CB-CG2 3.83Å; K167-T209 HydrophobicContact CD-CG2 4.13Å; K167-T209 HydrophobicContact CG-CG2 3.75Å
168	Q	93.5	Very high	91.8	Very high	80 Å²	80	49 Å²	49	37%	0.374	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.5	175.8	-179.5	63	59.2	0	0	109.1	V170 F189 F191 L207	Q168-V170 HydrophobicContact CG-CG1 3.77Å; Q168-F189 HydrophobicContact CG-CD1 4.15Å; Q168-F189 HydrophobicContact CG-CD2 4.41Å; Q168-F189 HydrophobicContact CG-CE1 4.4Å; Q168-F189 HydrophobicContact CG-CG 4.19Å; Q168-F191 HydrophobicContact CB-CE1 3.75Å; Q168-F191 HydrophobicContact CB-CZ 3.78Å; Q168-L207 PolarHBondContact N-O 2.86Å; Q168-L207 PolarHBondContact O-N 3Å
169	I	95.1	Very high	92.1	Very high	89 Å²	89	47.2 Å²	47.2	46%	0.456	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133	168.7	-53	178.9	0	0	0	107.5	D204 I206	I169-D204 HydrophobicContact CG2-CB 4.03Å; I169-I206 HydrophobicContact CG1-CG1 4.18Å; I169-I206 HydrophobicContact CG1-CG2 4.35Å; I169-I206 HydrophobicContact CG2-CG1 4.36Å
170	V	94.9	Very high	92.3	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.127	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.1	174.9	-55.6	0	0	0	0	109.6	Q168 S172 F189 C205	Q168-V170 HydrophobicContact CG-CG1 3.77Å; V170-S172 PolarHBondContact O-N 2.81Å; V170-F189 HydrophobicContact CG1-CE1 4.1Å; V170-F189 HydrophobicContact CG1-CE2 4.1Å; V170-F189 HydrophobicContact CG1-CZ 3.6Å; V170-C205 HydrophobicContact CG2-CB 3.8Å; V170-C205 PolarHBondContact N-O 2.95Å; V170-C205 WeakPolarHBondContact O-CA 3.03Å; V170-C205 WeakPolarHBondContact O-CB 3.37Å; V170-C205 PolarHBondContact O-N 3.14Å
171	S	93.5	Very high	92.4	Very high	97 Å²	97	49.7 Å²	49.7	68%	0.678	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.6	172.8	-51.5	0	0	0	0	109.8	K203 D204	S171-K203 CarbonylContact C-O 3.55Å; S171-K203 VanDerWaalsContact CA-O 3.3Å; S171-K203 WeakPolarHBondContact CA-O 3.31Å; S171-D204 VanDerWaalsContact CA-OD1 3.29Å; S171-D204 WeakPolarHBondContact CA-OD1 3.44Å; S171-D204 WeakPolarHBondContact CB-OD1 3.12Å; S171-D204 PolarHBondContact OG-OD1 3.35Å
172	S	90.6	Very high	92.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	29%	0.29	C	S	.	.			trans	-141.2	116.6	-174.4	-71.4	0	0	0	0	108.7	V170 S174 F198 K203 C205	V170-S172 PolarHBondContact O-N 2.81Å; S172-S174 PolarHBondContact O-N 2.88Å; S172-S174 VanDerWaalsContact O-N 3.16Å; S172-F198 VanDerWaalsContact O-CE2 3.29Å; S172-F198 WeakPolarHBondContact O-CE2 2.98Å; S172-K203 PolarHBondContact N-O 2.85Å; S172-K203 CarbonylContact O-C 3.35Å; S172-K203 WeakPolarHBondContact O-CB 3.24Å; S172-C205 WeakPolarHBondContact OG-CB 3.49Å
173	A	89.6	Confident	92.5	Very high	77 Å²	77	49.2 Å²	49.2	64%	0.636	29%	0.293	S	S	*	.	S	Bend	trans	-71.6	-7	-178.3	0	0	0	0	0	113.6	E177	A173-E177 PolarHBondContact N-OE2 3.43Å
174	S	91.5	Very high	92.6	Very high	42 Å²	42	47.8 Å²	47.8	29%	0.294	28%	0.282	S	S	.	.	S	Bend	trans	-157.5	162.2	-178.8	64	0	0	0	0	112.4	S172 Q176 E177 C178	S172-S174 PolarHBondContact O-N 2.88Å; S172-S174 VanDerWaalsContact O-N 3.16Å; S174-Q176 PolarHBondContact O-N 2.96Å; S174-E177 PolarHBondContact O-N 3Å; S174-E177 VanDerWaalsContact O-N 3.15Å; S174-E177 PolarHBondContact OG-N 2.82Å; S174-C178 PolarHBondContact O-N 3.15Å
175	M	90.8	Very high	93	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-40.4	172.2	-170.9	68.3	73.7	0	0	112.1	I48 E177 C178 W179 F198 V228 F230	I48-M175 HydrophobicContact CG2-CE 4.49Å; M175-E177 VanDerWaalsContact C-N 3.28Å; M175-E177 PolarHBondContact O-N 3.2Å; M175-C178 WeakPolarHBondContact O-CB 3.43Å; M175-C178 PolarHBondContact O-N 3.24Å; M175-C178 VanDerWaalsContact O-N 3.16Å; M175-W179 HydrophobicContact CG-CD2 4.01Å; M175-W179 VanDerWaalsContact CG-CE2 3.42Å; M175-W179 HydrophobicContact CG-CE3 4.48Å; M175-W179 HydrophobicContact CG-CH2 3.93Å; M175-W179 HydrophobicContact CG-CZ2 3.37Å; M175-W179 HydrophobicContact CG-CZ3 4.46Å; M175-W179 PolarHBondContact O-N 2.04Å; M175-W179 HydrophobicContact SD-CZ2 4.41Å; M175-F198 HydrophobicContact CB-CD1 4.39Å; M175-F198 HydrophobicContact CB-CE1 4.46Å; M175-F198 HydrophobicContact CE-CB 4.28Å; M175-F198 HydrophobicContact CE-CD1 3.65Å; M175-F198 HydrophobicContact CE-CG 4.37Å; M175-F198 HydrophobicContact SD-CB 3.93Å; M175-F198 HydrophobicContact SD-CD1 3.87Å; M175-F198 HydrophobicContact SD-CG 4.14Å; M175-V228 HydrophobicContact CE-CB 3.73Å; M175-V228 HydrophobicContact CE-CG1 3.74Å; M175-V228 HydrophobicContact CE-CG2 3.8Å; M175-F230 HydrophobicContact SD-CD1 4.29Å; M175-F230 HydrophobicContact SD-CE1 4.01Å
176	Q	92.2	Very high	92.8	Very high	56 Å²	56	46.2 Å²	46.2	26%	0.262	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-30	-179.5	-59	94.2	-53.7	0	0	112.8	S174 W179 K180	S174-Q176 PolarHBondContact O-N 2.96Å; Q176-W179 HydrophobicContact CB-CE3 4.3Å; Q176-W179 HydrophobicContact CG-CE3 3.99Å; Q176-W179 HydrophobicContact CG-CZ3 3.91Å; Q176-K180 WeakPolarHBondContact O-CB 3.4Å; Q176-K180 PolarHBondContact O-N 2.95Å; Q176-K180 VanDerWaalsContact O-N 3.07Å
177	E	94.4	Very high	92.5	Very high	84 Å²	84	50 Å²	50	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-73.4	-40.6	172.7	-169.2	162.7	-142.3	0	0	111	A173 S174 M175 K180 S181	A173-E177 PolarHBondContact N-OE2 3.43Å; S174-E177 PolarHBondContact O-N 3Å; S174-E177 VanDerWaalsContact O-N 3.15Å; S174-E177 PolarHBondContact OG-N 2.82Å; M175-E177 VanDerWaalsContact C-N 3.28Å; M175-E177 PolarHBondContact O-N 3.2Å; E177-K180 WeakPolarHBondContact O-CB 3.48Å; E177-K180 PolarHBondContact O-N 2.94Å; E177-S181 PolarHBondContact O-N 3.02Å; E177-S181 PolarHBondContact O-OG 3.2Å
178	C	96.2	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-43.2	173.5	-173.5	0	0	0	0	112.5	S174 M175 K180 S181 C182 F198 C205 F230	S174-C178 PolarHBondContact O-N 3.15Å; M175-C178 WeakPolarHBondContact O-CB 3.43Å; M175-C178 PolarHBondContact O-N 3.24Å; M175-C178 VanDerWaalsContact O-N 3.16Å; C178-K180 PolarHBondContact O-N 2.91Å; C178-S181 PolarHBondContact O-N 3.01Å; C178-C182 PolarHBondContact O-N 3.29Å; C178-F198 HydrophobicContact CB-CB 4.41Å; C178-F198 HydrophobicContact CB-CD2 3.9Å; C178-F198 HydrophobicContact CB-CG 4.28Å; C178-C205 WeakPolarHBondContact CA-SG 3.41Å; C178-C205 HydrophobicContact CB-CB 3.58Å; C178-C205 WeakPolarHBondContact CB-SG 3.49Å; C178-C205 WeakPolarHBondContact SG-CB 3.39Å; C178-C205 CovalentContact SG-SG 2.03Å; C178-C205 PolarHBondContact SG-SG 3.05Å; C178-F230 HydrophobicContact CB-CZ 4.47Å
179	W	95.1	Very high	92	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.3	-47.3	170.8	-72.2	-23.4	0	0	0	112	S49 I62 I64 V142 F154 M175 Q176 C182 L183 F230	S49-W179 VanDerWaalsContact OG-CH2 3.32Å; S49-W179 WeakPolarHBondContact OG-CH2 3.25Å; I62-W179 HydrophobicContact CD1-CD2 4.29Å; I62-W179 HydrophobicContact CD1-CE3 3.85Å; I62-W179 HydrophobicContact CD1-CZ3 4.33Å; I64-W179 HydrophobicContact CD1-CH2 3.49Å; I64-W179 VanDerWaalsContact CD1-CH2 3.49Å; I64-W179 HydrophobicContact CD1-CZ2 3.9Å; I64-W179 HydrophobicContact CD1-CZ3 3.91Å; I64-W179 HydrophobicContact CG1-CH2 3.79Å; I64-W179 HydrophobicContact CG1-CZ2 3.62Å; I64-W179 HydrophobicContact CG1-CZ3 4.48Å; V142-W179 HydrophobicContact CG2-CB 4.34Å; F154-W179 HydrophobicContact CD2-CB 4.4Å; F154-W179 AromaticContact CD2-CD1 3.57Å; F154-W179 HydrophobicContact CD2-CD2 4.14Å; F154-W179 AromaticContact CD2-CG 3.81Å; F154-W179 HydrophobicContact CD2-CG 3.81Å; F154-W179 AromaticContact CD2-NE1 3.82Å; F154-W179 HydrophobicContact CE2-CB 3.51Å; F154-W179 AromaticContact CE2-CD1 3.47Å; F154-W179 VanDerWaalsContact CE2-CD1 3.47Å; F154-W179 HydrophobicContact CE2-CD2 4.06Å; F154-W179 AromaticContact CE2-CG 3.4Å; F154-W179 HydrophobicContact CE2-CG 3.4Å; F154-W179 AromaticContact CG-CD1 3.95Å; F154-W179 HydrophobicContact CZ-CB 3.69Å; F154-W179 AromaticContact CZ-CD1 3.74Å; F154-W179 AromaticContact CZ-CG 3.86Å; F154-W179 HydrophobicContact CZ-CG 3.86Å; M175-W179 HydrophobicContact CG-CD2 4.01Å; M175-W179 VanDerWaalsContact CG-CE2 3.42Å; M175-W179 HydrophobicContact CG-CE3 4.48Å; M175-W179 HydrophobicContact CG-CH2 3.93Å; M175-W179 HydrophobicContact CG-CZ2 3.37Å; M175-W179 HydrophobicContact CG-CZ3 4.46Å; M175-W179 PolarHBondContact O-N 2.04Å; M175-W179 HydrophobicContact SD-CZ2 4.41Å; Q176-W179 HydrophobicContact CB-CE3 4.3Å; Q176-W179 HydrophobicContact CG-CE3 3.99Å; Q176-W179 HydrophobicContact CG-CZ3 3.91Å; W179-C182 PolarHBondContact O-N 2.82Å; W179-L183 WeakPolarHBondContact O-CG 3.06Å; W179-L183 PolarHBondContact O-N 3.23Å; W179-F230 AromaticContact CD1-CE1 3.73Å; W179-F230 AromaticContact CD1-CE2 3.69Å; W179-F230 AromaticContact CD1-CZ 3.45Å; W179-F230 VanDerWaalsContact CD1-CZ 3.45Å; W179-F230 AromaticContact NE1-CD1 3.93Å; W179-F230 AromaticContact NE1-CE1 3.85Å
180	K	95.4	Very high	91.3	Very high	74 Å²	74	45.7 Å²	45.7	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-49.5	175.5	178.1	-178.2	177.6	177.6	0	111.3	V142 K143 Q176 E177 C178 C182 L183 E184	V142-K180 HydrophobicContact CG2-CB 3.88Å; K143-K180 WeakPolarHBondContact O-CD 3.34Å; K143-K180 WeakPolarHBondContact O-CE 3.29Å; Q176-K180 WeakPolarHBondContact O-CB 3.4Å; Q176-K180 PolarHBondContact O-N 2.95Å; Q176-K180 VanDerWaalsContact O-N 3.07Å; E177-K180 WeakPolarHBondContact O-CB 3.48Å; E177-K180 PolarHBondContact O-N 2.94Å; C178-K180 PolarHBondContact O-N 2.91Å; K180-C182 VanDerWaalsContact C-N 3.27Å; K180-C182 PolarHBondContact O-N 2.83Å; K180-L183 PolarHBondContact O-N 3.22Å; K180-E184 VanDerWaalsContact CE-OE1 3.32Å; K180-E184 WeakPolarHBondContact CE-OE1 3.49Å; K180-E184 WeakPolarHBondContact CE-OE2 3.41Å; K180-E184 HydrophobicContact CG-CG 4.42Å; K180-E184 IonicContact NZ-OE2 2.95Å; K180-E184 WeakPolarHBondContact O-CB 3.28Å; K180-E184 PolarHBondContact O-N 3.03Å
181	S	96.2	Very high	90.7	Very high	22 Å²	22	45.6 Å²	45.6	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-32.4	-179.7	-65.7	0	0	0	0	113.3	E177 C178 S185	E177-S181 PolarHBondContact O-N 3.02Å; E177-S181 PolarHBondContact O-OG 3.2Å; C178-S181 PolarHBondContact O-N 3.01Å; S181-S185 WeakPolarHBondContact O-CA 3.37Å; S181-S185 PolarHBondContact O-N 3.21Å
182	C	96.1	Very high	90.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-70.4	-47	172.3	-174.1	0	0	0	0	111.9	F154 C178 W179 K180 E184 S185 C193 L207 F230	F154-C182 HydrophobicContact CE1-CB 4.49Å; C178-C182 PolarHBondContact O-N 3.29Å; W179-C182 PolarHBondContact O-N 2.82Å; K180-C182 VanDerWaalsContact C-N 3.27Å; K180-C182 PolarHBondContact O-N 2.83Å; C182-E184 VanDerWaalsContact C-N 3.34Å; C182-E184 PolarHBondContact O-N 2.04Å; C182-S185 VanDerWaalsContact O-CB 3.24Å; C182-S185 WeakPolarHBondContact O-CB 3.4Å; C182-S185 PolarHBondContact O-N 3.5Å; C182-S185 PolarHBondContact O-OG 2.68Å; C182-C193 VanDerWaalsContact CA-SG 3.57Å; C182-C193 HydrophobicContact CB-CB 3.93Å; C182-C193 WeakPolarHBondContact CB-SG 3.48Å; C182-C193 WeakPolarHBondContact O-CB 3.06Å; C182-C193 WeakPolarHBondContact SG-CB 3.3Å; C182-C193 CovalentContact SG-SG 2.05Å; C182-C193 PolarHBondContact SG-SG 3.38Å; C182-L207 HydrophobicContact CB-CD2 3.9Å; C182-F230 HydrophobicContact CB-CE2 4.18Å
183	L	93.8	Very high	90.4	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-36.3	178	-67.8	169.9	0	0	0	113	V142 Q146 A147 F154 W179 K180 C234	V142-L183 HydrophobicContact CG1-CD1 4.12Å; V142-L183 HydrophobicContact CG2-CD1 4.35Å; Q146-L183 HydrophobicContact CB-CB 4.07Å; A147-L183 HydrophobicContact CB-CD1 4.22Å; F154-L183 HydrophobicContact CE2-CD1 4.32Å; F154-L183 HydrophobicContact CZ-CD1 4.04Å; F154-L183 HydrophobicContact CZ-CD2 4.1Å; F154-L183 HydrophobicContact CZ-CG 3.81Å; W179-L183 WeakPolarHBondContact O-CG 3.06Å; W179-L183 PolarHBondContact O-N 3.23Å; K180-L183 PolarHBondContact O-N 3.22Å; L183-C234 HydrophobicContact CD2-CB 4.03Å
184	E	92.6	Very high	90.6	Very high	40 Å²	40	42.1 Å²	42.1	19%	0.187	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.7	-178.7	-65.5	177.8	-173.5	0	0	113.1	S144 Q146 K180 C182 V186 Q187 S188	S144-E184 WeakPolarHBondContact CA-OE1 3.05Å; S144-E184 WeakPolarHBondContact CB-OE1 3.17Å; S144-E184 WeakPolarHBondContact OG-CG 3.35Å; S144-E184 PolarHBondContact OG-OE1 3.46Å; Q146-E184 HydrophobicContact CG-CG 4.12Å; K180-E184 VanDerWaalsContact CE-OE1 3.32Å; K180-E184 WeakPolarHBondContact CE-OE1 3.49Å; K180-E184 WeakPolarHBondContact CE-OE2 3.41Å; K180-E184 HydrophobicContact CG-CG 4.42Å; K180-E184 IonicContact NZ-OE2 2.95Å; K180-E184 WeakPolarHBondContact O-CB 3.28Å; K180-E184 PolarHBondContact O-N 3.03Å; C182-E184 VanDerWaalsContact C-N 3.34Å; C182-E184 PolarHBondContact O-N 2.04Å; E184-V186 PolarHBondContact O-N 2.87Å; E184-Q187 PolarHBondContact O-N 2.65Å; E184-Q187 VanDerWaalsContact O-N 3.12Å; E184-S188 WeakPolarHBondContact O-CB 3.28Å; E184-S188 PolarHBondContact O-N 2.92Å; E184-S188 PolarHBondContact O-OG 2.85Å
185	S	92	Very high	90.8	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-40.4	-175.1	52.8	0	0	0	0	114.1	S181 C182 Q187 S188 F189 G190 F191 C193	S181-S185 WeakPolarHBondContact O-CA 3.37Å; S181-S185 PolarHBondContact O-N 3.21Å; C182-S185 VanDerWaalsContact O-CB 3.24Å; C182-S185 WeakPolarHBondContact O-CB 3.4Å; C182-S185 PolarHBondContact O-N 3.5Å; C182-S185 PolarHBondContact O-OG 2.68Å; S185-Q187 VanDerWaalsContact C-N 3.33Å; S185-Q187 PolarHBondContact O-N 3.17Å; S185-S188 PolarHBondContact O-N 2.97Å; S185-F189 CarbonylContact O-C 3.46Å; S185-F189 WeakPolarHBondContact O-CA 3.35Å; S185-F189 PolarHBondContact O-N 2.86Å; S185-G190 PolarHBondContact O-N 3.3Å; S185-F191 CarbonylContact C-O 3.58Å; S185-F191 WeakPolarHBondContact CB-O 3.37Å; S185-F191 PolarHBondContact OG-O 2.92Å; S185-C193 VanDerWaalsContact OG-CB 3.27Å; S185-C193 WeakPolarHBondContact OG-CB 3.47Å; S185-C193 PolarHBondContact OG-N 2.82Å
186	V	83.6	Confident	91.1	Very high	81 Å²	81	40 Å²	40	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-40.2	178.2	-179.1	0	0	0	0	111.1	E184 G190 F191 P192	E184-V186 PolarHBondContact O-N 2.87Å; V186-G190 WeakPolarHBondContact O-CA 2.9Å; V186-G190 PolarHBondContact O-N 2.62Å; V186-F191 WeakPolarHBondContact CA-O 3.4Å; V186-F191 PolarHBondContact N-O 2.83Å; V186-P192 HydrophobicContact CG2-CB 4.04Å
187	Q	83.3	Confident	91.3	Very high	136 Å²	136	37.6 Å²	37.6	64%	0.636	21%	0.212	S	C	*	.	H	α-helix	trans	-78.6	-35.4	-179.9	-54.5	-169.2	19.8	0	0	112.5	E184 S185	E184-Q187 PolarHBondContact O-N 2.65Å; E184-Q187 VanDerWaalsContact O-N 3.12Å; S185-Q187 VanDerWaalsContact C-N 3.33Å; S185-Q187 PolarHBondContact O-N 3.17Å
188	S	89.1	Confident	91.4	Very high	63 Å²	63	33.9 Å²	33.9	44%	0.441	20%	0.195	S	C	.	.	H	α-helix	trans	-87.3	-35.4	-173.2	-52.2	0	0	0	0	113.4	E184 S185	E184-S188 WeakPolarHBondContact O-CB 3.28Å; E184-S188 PolarHBondContact O-N 2.92Å; E184-S188 PolarHBondContact O-OG 2.85Å; S185-S188 PolarHBondContact O-N 2.97Å
189	F	87.1	Confident	91.4	Very high	76 Å²	76	35.6 Å²	35.6	33%	0.333	20%	0.201	S	C	.	.	H	α-helix	trans	-131.8	-5.4	-169.4	-44.2	-58.6	0	0	0	113.7	Q168 V170 S185 F191 L207	Q168-F189 HydrophobicContact CG-CD1 4.15Å; Q168-F189 HydrophobicContact CG-CD2 4.41Å; Q168-F189 HydrophobicContact CG-CE1 4.4Å; Q168-F189 HydrophobicContact CG-CG 4.19Å; V170-F189 HydrophobicContact CG1-CE1 4.1Å; V170-F189 HydrophobicContact CG1-CE2 4.1Å; V170-F189 HydrophobicContact CG1-CZ 3.6Å; S185-F189 CarbonylContact O-C 3.46Å; S185-F189 WeakPolarHBondContact O-CA 3.35Å; S185-F189 PolarHBondContact O-N 2.86Å; F189-F191 HydrophobicContact CB-CD1 3.7Å; F189-F191 HydrophobicContact CB-CE1 3.46Å; F189-F191 VanDerWaalsContact CB-CE1 3.46Å; F189-F191 HydrophobicContact CD2-CE1 4.28Å; F189-F191 HydrophobicContact CG-CE1 4.18Å; F189-L207 HydrophobicContact CD2-CD1 3.81Å; F189-L207 HydrophobicContact CE2-CD1 3.6Å
190	G	80	Confident	91.2	Very high	65 Å²	65	36.1 Å²	36.1	67%	0.67	20%	0.204	S	C	*	.	S	Bend	trans	77.2	17.2	174.7	0	0	0	0	0	115.6	S185 V186	S185-G190 PolarHBondContact O-N 3.3Å; V186-G190 WeakPolarHBondContact O-CA 2.9Å; V186-G190 PolarHBondContact O-N 2.62Å
191	F	81.9	Confident	91	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.083	22%	0.215	C	C	.	.	S	Bend	trans	-140.5	152.5	174.6	74.1	-88.6	0	0	0	111.3	K167 Q168 S185 V186 F189 L207 T209	K167-F191 HydrophobicContact CB-CD2 4.27Å; K167-F191 HydrophobicContact CB-CE1 4.32Å; K167-F191 HydrophobicContact CB-CE2 3.76Å; K167-F191 HydrophobicContact CB-CZ 3.78Å; K167-F191 HydrophobicContact CG-CD1 3.75Å; K167-F191 HydrophobicContact CG-CD2 3.72Å; K167-F191 HydrophobicContact CG-CE1 3.63Å; K167-F191 HydrophobicContact CG-CE2 3.62Å; K167-F191 HydrophobicContact CG-CG 3.8Å; K167-F191 HydrophobicContact CG-CZ 3.57Å; Q168-F191 HydrophobicContact CB-CE1 3.75Å; Q168-F191 HydrophobicContact CB-CZ 3.78Å; S185-F191 CarbonylContact C-O 3.58Å; S185-F191 WeakPolarHBondContact CB-O 3.37Å; S185-F191 PolarHBondContact OG-O 2.92Å; V186-F191 WeakPolarHBondContact CA-O 3.4Å; V186-F191 PolarHBondContact N-O 2.83Å; F189-F191 HydrophobicContact CB-CD1 3.7Å; F189-F191 HydrophobicContact CB-CE1 3.46Å; F189-F191 VanDerWaalsContact CB-CE1 3.46Å; F189-F191 HydrophobicContact CD2-CE1 4.28Å; F189-F191 HydrophobicContact CG-CE1 4.18Å; F191-L207 HydrophobicContact CE2-CB 4.29Å; F191-L207 HydrophobicContact CZ-CB 3.94Å; F191-L207 HydrophobicContact CZ-CD1 4.37Å; F191-T209 HydrophobicContact CD2-CG2 3.97Å; F191-T209 HydrophobicContact CE2-CG2 4.45Å
192	P	85.2	Confident	90.9	Very high	59 Å²	59	41.8 Å²	41.8	38%	0.383	24%	0.237	S	C	.	.			trans	-80.1	123.4	174.1	31.2	-32.7	0	0	0	111.8	V186 Q194	V186-P192 HydrophobicContact CG2-CB 4.04Å; P192-Q194 PolarHBondContact O-N 3.4Å
193	C	93.3	Very high	90.8	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.02	26%	0.26	C	S	.	.			trans	-69.8	113.4	167.1	177.2	0	0	0	0	110.3	C182 S185 S195 S232	C182-C193 VanDerWaalsContact CA-SG 3.57Å; C182-C193 HydrophobicContact CB-CB 3.93Å; C182-C193 WeakPolarHBondContact CB-SG 3.48Å; C182-C193 WeakPolarHBondContact O-CB 3.06Å; C182-C193 WeakPolarHBondContact SG-CB 3.3Å; C182-C193 CovalentContact SG-SG 2.05Å; C182-C193 PolarHBondContact SG-SG 3.38Å; S185-C193 VanDerWaalsContact OG-CB 3.27Å; S185-C193 WeakPolarHBondContact OG-CB 3.47Å; S185-C193 PolarHBondContact OG-N 2.82Å; C193-S195 PolarHBondContact SG-O 2.59Å; C193-S232 WeakPolarHBondContact O-CB 3.36Å
194	Q	93.1	Very high	90.8	Very high	39 Å²	39	48.9 Å²	48.9	18%	0.182	27%	0.269	C	S	.	.	S	Bend	trans	-89.3	-35.4	173.7	-71.4	-153	86.5	0	0	112.1	P192 N208 T209 E210 T211 Q214 S232 A235	P192-Q194 PolarHBondContact O-N 3.4Å; Q194-N208 PolarHBondContact N-O 2.85Å; Q194-T209 WeakPolarHBondContact CB-O 3.45Å; Q194-T209 VanDerWaalsContact CG-O 3.25Å; Q194-T209 WeakPolarHBondContact CG-O 3.27Å; Q194-T209 PolarHBondContact NE2-O 2.85Å; Q194-E210 PolarHBondContact NE2-OE2 2.86Å; Q194-T211 HydrophobicContact CB-CG2 3.95Å; Q194-Q214 VanDerWaalsContact NE2-NE2 3.11Å; Q194-S232 WeakPolarHBondContact O-CB 3.24Å; Q194-S232 PolarHBondContact O-N 3.12Å; Q194-A235 HydrophobicContact CG-CB 4.31Å
195	S	95.7	Very high	91.1	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	170.4	169.6	71.6	0	0	0	0	110.6	C193 N208 E210 Y229 F230	C193-S195 PolarHBondContact SG-O 2.59Å; S195-N208 WeakPolarHBondContact O-CA 3.1Å; S195-N208 WeakPolarHBondContact O-CB 3.38Å; S195-N208 PolarHBondContact O-N 2.76Å; S195-N208 WeakPolarHBondContact OG-CB 3.18Å; S195-N208 PolarHBondContact OG-ND2 2.87Å; S195-E210 WeakPolarHBondContact CB-O 3.29Å; S195-E210 PolarHBondContact OG-O 2.89Å; S195-Y229 VanDerWaalsContact CB-CZ 3.47Å; S195-Y229 WeakPolarHBondContact CB-OH 3.46Å; S195-Y229 WeakPolarHBondContact OG-CE2 3.35Å; S195-Y229 PolarHBondContact OG-OH 3.03Å; S195-F230 CarbonylContact C-O 3.28Å; S195-F230 WeakPolarHBondContact CA-O 3.46Å; S195-F230 VanDerWaalsContact CB-O 3.27Å; S195-F230 WeakPolarHBondContact CB-O 3.35Å
196	A	97.4	Very high	91.3	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.3	171.2	0	0	0	0	0	112.7	I206 L207 Y229 F230	A196-I206 CarbonylContact C-O 3.5Å; A196-I206 WeakPolarHBondContact CA-O 3.45Å; A196-I206 VanDerWaalsContact CB-O 3.28Å; A196-I206 WeakPolarHBondContact CB-O 3.4Å; A196-L207 HydrophobicContact CB-CD2 3.88Å; A196-Y229 WeakPolarHBondContact O-CA 3.38Å; A196-F230 HydrophobicContact CB-CD2 4.39Å; A196-F230 HydrophobicContact CB-CE1 4.2Å; A196-F230 HydrophobicContact CB-CE2 3.73Å; A196-F230 HydrophobicContact CB-CZ 3.62Å; A196-F230 PolarHBondContact N-O 3.3Å; A196-F230 PolarHBondContact O-N 2.86Å
197	M	96.5	Very high	92	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.034	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.6	173.7	-63.7	170.9	-67.1	0	0	109.3	I161 L162 Y199 C205 I206 V227 V228 Y229	I161-M197 VanDerWaalsContact CA-SD 3.54Å; I161-M197 HydrophobicContact CB-SD 3.61Å; I161-M197 HydrophobicContact CG2-SD 3.85Å; L162-M197 PolarHBondContact N-SD 2.66Å; M197-Y199 HydrophobicContact CB-CE2 3.9Å; M197-C205 CarbonylContact O-C 3.54Å; M197-C205 WeakPolarHBondContact O-CA 3.22Å; M197-I206 HydrophobicContact CB-CB 4.35Å; M197-I206 HydrophobicContact CE-CB 3.99Å; M197-I206 HydrophobicContact CE-CD1 4.32Å; M197-I206 HydrophobicContact CE-CG2 3.79Å; M197-I206 PolarHBondContact N-O 3.36Å; M197-I206 PolarHBondContact O-N 3.49Å; M197-V227 HydrophobicContact CB-CG2 4.21Å; M197-V228 CarbonylContact C-O 3.59Å; M197-V228 WeakPolarHBondContact CA-O 3.29Å; M197-Y229 HydrophobicContact CG-CD2 3.77Å
198	F	96.6	Very high	92.5	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.8	174.9	-176.3	-121	0	0	0	111.1	S172 M175 C178 P200 D204 C205 V227 V228	S172-F198 VanDerWaalsContact O-CE2 3.29Å; S172-F198 WeakPolarHBondContact O-CE2 2.98Å; M175-F198 HydrophobicContact CB-CD1 4.39Å; M175-F198 HydrophobicContact CB-CE1 4.46Å; M175-F198 HydrophobicContact CE-CB 4.28Å; M175-F198 HydrophobicContact CE-CD1 3.65Å; M175-F198 HydrophobicContact CE-CG 4.37Å; M175-F198 HydrophobicContact SD-CB 3.93Å; M175-F198 HydrophobicContact SD-CD1 3.87Å; M175-F198 HydrophobicContact SD-CG 4.14Å; C178-F198 HydrophobicContact CB-CB 4.41Å; C178-F198 HydrophobicContact CB-CD2 3.9Å; C178-F198 HydrophobicContact CB-CG 4.28Å; F198-P200 HydrophobicContact CD1-CB 4.3Å; F198-P200 HydrophobicContact CE1-CB 3.74Å; F198-P200 HydrophobicContact CZ-CB 4.34Å; F198-P200 VanDerWaalsContact O-CD 3.26Å; F198-P200 WeakPolarHBondContact O-CD 3.41Å; F198-D204 WeakPolarHBondContact CD2-O 3.34Å; F198-C205 HydrophobicContact CD2-CB 4.29Å; F198-V227 WeakPolarHBondContact O-CA 3.29Å; F198-V228 PolarHBondContact N-O 2.71Å; F198-V228 PolarHBondContact O-N 2.88Å
199	Y	95.3	Very high	92.5	Very high	36 Å²	36	36.6 Å²	36.6	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	91.6	176.4	-69	-98.8	0	0	0	108.7	I161 M197 D201 D202 K203 D204 I206 V227	I161-Y199 WeakPolarHBondContact CG2-OH 3.01Å; M197-Y199 HydrophobicContact CB-CE2 3.9Å; Y199-D201 VanDerWaalsContact C-N 3.29Å; Y199-D201 PolarHBondContact O-N 3.14Å; Y199-D202 PolarHBondContact O-N 3.33Å; Y199-K203 VanDerWaalsContact O-CA 3.31Å; Y199-K203 WeakPolarHBondContact O-CA 3.33Å; Y199-K203 PolarHBondContact O-N 3.37Å; Y199-D204 PolarHBondContact N-O 3.34Å; Y199-D204 PolarHBondContact O-N 3.38Å; Y199-I206 HydrophobicContact CD2-CD1 4.26Å; Y199-I206 HydrophobicContact CD2-CG1 4.39Å; Y199-I206 HydrophobicContact CE2-CD1 3.68Å; Y199-I206 HydrophobicContact CE2-CG1 4.16Å; Y199-V227 HydrophobicContact CD1-CB 4.01Å; Y199-V227 HydrophobicContact CD1-CG2 4.02Å; Y199-V227 HydrophobicContact CD2-CG2 4.06Å; Y199-V227 HydrophobicContact CE1-CB 3.82Å; Y199-V227 HydrophobicContact CE1-CG2 3.71Å; Y199-V227 HydrophobicContact CE2-CG2 3.73Å; Y199-V227 HydrophobicContact CG-CG2 4.19Å
200	P	91.2	Very high	92.5	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.065	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.2	-173.6	20.4	-34.6	0	0	0	115.5	F47 F198 K203 S226	F47-P200 HydrophobicContact CB-CB 3.75Å; F47-P200 HydrophobicContact CB-CG 3.85Å; F47-P200 HydrophobicContact CD1-CB 3.61Å; F47-P200 HydrophobicContact CD1-CG 4.24Å; F47-P200 HydrophobicContact CD2-CB 3.9Å; F47-P200 HydrophobicContact CD2-CG 3.57Å; F47-P200 HydrophobicContact CE1-CB 4.11Å; F47-P200 HydrophobicContact CE2-CB 4.38Å; F47-P200 HydrophobicContact CE2-CG 4.12Å; F47-P200 HydrophobicContact CG-CB 3.47Å; F47-P200 VanDerWaalsContact CG-CB 3.47Å; F47-P200 HydrophobicContact CG-CG 3.62Å; F47-P200 HydrophobicContact CZ-CB 4.46Å; F198-P200 HydrophobicContact CD1-CB 4.3Å; F198-P200 HydrophobicContact CE1-CB 3.74Å; F198-P200 HydrophobicContact CZ-CB 4.34Å; F198-P200 VanDerWaalsContact O-CD 3.26Å; F198-P200 WeakPolarHBondContact O-CD 3.41Å; P200-K203 WeakPolarHBondContact O-CG 3.4Å; P200-S226 WeakPolarHBondContact CD-O 3.31Å; P200-S226 WeakPolarHBondContact CG-OG 3.33Å
201	D	91.4	Very high	93	Very high	100 Å²	100	32.4 Å²	32.4	54%	0.535	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-48.1	-179.1	-66.9	-47.6	0	0	0	111.5	Y199 S226	Y199-D201 VanDerWaalsContact C-N 3.29Å; Y199-D201 PolarHBondContact O-N 3.14Å; D201-S226 WeakPolarHBondContact OD2-CB 3.45Å
202	D	92.9	Very high	93.4	Very high	116 Å²	116	32.5 Å²	32.5	62%	0.62	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-22.6	175.8	-64.3	-54.8	0	0	0	113.3	Y199	Y199-D202 PolarHBondContact O-N 3.33Å
203	K	94.3	Very high	93.5	Very high	114 Å²	114	32.5 Å²	32.5	50%	0.496	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	36.9	-174.3	-56.9	171.7	-173.1	170.9	0	113.6	S171 S172 Y199 P200	S171-K203 CarbonylContact C-O 3.55Å; S171-K203 VanDerWaalsContact CA-O 3.3Å; S171-K203 WeakPolarHBondContact CA-O 3.31Å; S172-K203 PolarHBondContact N-O 2.85Å; S172-K203 CarbonylContact O-C 3.35Å; S172-K203 WeakPolarHBondContact O-CB 3.24Å; Y199-K203 VanDerWaalsContact O-CA 3.31Å; Y199-K203 WeakPolarHBondContact O-CA 3.33Å; Y199-K203 PolarHBondContact O-N 3.37Å; P200-K203 WeakPolarHBondContact O-CG 3.4Å
204	D	95.4	Very high	93	Very high	53 Å²	53	34.5 Å²	34.5	28%	0.283	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141	173	-85.9	-18.5	0	0	0	112	I169 S171 F198 Y199	I169-D204 HydrophobicContact CG2-CB 4.03Å; S171-D204 VanDerWaalsContact CA-OD1 3.29Å; S171-D204 WeakPolarHBondContact CA-OD1 3.44Å; S171-D204 WeakPolarHBondContact CB-OD1 3.12Å; S171-D204 PolarHBondContact OG-OD1 3.35Å; F198-D204 WeakPolarHBondContact CD2-O 3.34Å; Y199-D204 PolarHBondContact N-O 3.34Å; Y199-D204 PolarHBondContact O-N 3.38Å
205	C	97.1	Very high	92.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.9	176.5	177.4	0	0	0	0	108.3	V170 S172 C178 M197 F198	V170-C205 HydrophobicContact CG2-CB 3.8Å; V170-C205 PolarHBondContact N-O 2.95Å; V170-C205 WeakPolarHBondContact O-CA 3.03Å; V170-C205 WeakPolarHBondContact O-CB 3.37Å; V170-C205 PolarHBondContact O-N 3.14Å; S172-C205 WeakPolarHBondContact OG-CB 3.49Å; C178-C205 WeakPolarHBondContact CA-SG 3.41Å; C178-C205 HydrophobicContact CB-CB 3.58Å; C178-C205 WeakPolarHBondContact CB-SG 3.49Å; C178-C205 WeakPolarHBondContact SG-CB 3.39Å; C178-C205 CovalentContact SG-SG 2.03Å; C178-C205 PolarHBondContact SG-SG 3.05Å; M197-C205 CarbonylContact O-C 3.54Å; M197-C205 WeakPolarHBondContact O-CA 3.22Å; F198-C205 HydrophobicContact CD2-CB 4.29Å
206	I	97.3	Very high	92	Very high	26 Å²	26	37.2 Å²	37.2	13%	0.133	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	112.2	-179.8	-51.8	-171.7	0	0	0	108.3	A166 I169 A196 M197 Y199	A166-I206 HydrophobicContact CB-CG2 3.4Å; I169-I206 HydrophobicContact CG1-CG1 4.18Å; I169-I206 HydrophobicContact CG1-CG2 4.35Å; I169-I206 HydrophobicContact CG2-CG1 4.36Å; A196-I206 CarbonylContact C-O 3.5Å; A196-I206 WeakPolarHBondContact CA-O 3.45Å; A196-I206 VanDerWaalsContact CB-O 3.28Å; A196-I206 WeakPolarHBondContact CB-O 3.4Å; M197-I206 HydrophobicContact CB-CB 4.35Å; M197-I206 HydrophobicContact CE-CB 3.99Å; M197-I206 HydrophobicContact CE-CD1 4.32Å; M197-I206 HydrophobicContact CE-CG2 3.79Å; M197-I206 PolarHBondContact N-O 3.36Å; M197-I206 PolarHBondContact O-N 3.49Å; Y199-I206 HydrophobicContact CD2-CD1 4.26Å; Y199-I206 HydrophobicContact CD2-CG1 4.39Å; Y199-I206 HydrophobicContact CE2-CD1 3.68Å; Y199-I206 HydrophobicContact CE2-CG1 4.16Å
207	L	97	Very high	91.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.8	179.3	-53.7	-179.1	0	0	0	109.8	K167 Q168 C182 F189 F191 A196	K167-L207 WeakPolarHBondContact CB-O 3.22Å; K167-L207 PolarHBondContact N-O 3Å; Q168-L207 PolarHBondContact N-O 2.86Å; Q168-L207 PolarHBondContact O-N 3Å; C182-L207 HydrophobicContact CB-CD2 3.9Å; F189-L207 HydrophobicContact CD2-CD1 3.81Å; F189-L207 HydrophobicContact CE2-CD1 3.6Å; F191-L207 HydrophobicContact CE2-CB 4.29Å; F191-L207 HydrophobicContact CZ-CB 3.94Å; F191-L207 HydrophobicContact CZ-CD1 4.37Å; A196-L207 HydrophobicContact CB-CD2 3.88Å
208	N	94	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	151.6	-175.4	-52.6	-42.6	0	0	0	112.3	Y165 A166 Q194 S195	Y165-N208 VanDerWaalsContact O-CA 3.22Å; Y165-N208 WeakPolarHBondContact O-CA 3.41Å; A166-N208 WeakPolarHBondContact CA-OD1 3.46Å; Q194-N208 PolarHBondContact N-O 2.85Å; S195-N208 WeakPolarHBondContact O-CA 3.1Å; S195-N208 WeakPolarHBondContact O-CB 3.38Å; S195-N208 PolarHBondContact O-N 2.76Å; S195-N208 WeakPolarHBondContact OG-CB 3.18Å; S195-N208 PolarHBondContact OG-ND2 2.87Å
209	T	88.9	Confident	90.6	Very high	39 Å²	39	44.3 Å²	44.3	24%	0.239	23%	0.225	C	C	.	.	S	Bend	trans	-85.7	-10.3	171.3	49.5	0	0	0	0	114.5	Y165 K167 F191 Q194	Y165-T209 PolarHBondContact O-N 3.23Å; K167-T209 HydrophobicContact CB-CG2 3.83Å; K167-T209 HydrophobicContact CD-CG2 4.13Å; K167-T209 HydrophobicContact CG-CG2 3.75Å; F191-T209 HydrophobicContact CD2-CG2 3.97Å; F191-T209 HydrophobicContact CE2-CG2 4.45Å; Q194-T209 WeakPolarHBondContact CB-O 3.45Å; Q194-T209 VanDerWaalsContact CG-O 3.25Å; Q194-T209 WeakPolarHBondContact CG-O 3.27Å; Q194-T209 PolarHBondContact NE2-O 2.85Å
210	E	87.3	Confident	90.5	Very high	37 Å²	37	45.7 Å²	45.7	17%	0.173	24%	0.237	C	C	.	.	S	Bend	trans	-126	167.8	-179.6	-53.8	-52.6	143.4	0	0	112.3	L162 Y165 Q194 S195 Q214 R215	L162-E210 HydrophobicContact CD2-CB 4.34Å; L162-E210 WeakPolarHBondContact CD2-O 3.3Å; Y165-E210 HydrophobicContact CD1-CB 4.16Å; Y165-E210 HydrophobicContact CD1-CG 3.32Å; Y165-E210 HydrophobicContact CD2-CB 4.44Å; Y165-E210 HydrophobicContact CD2-CG 4.36Å; Y165-E210 HydrophobicContact CE1-CG 3.74Å; Y165-E210 HydrophobicContact CG-CB 3.97Å; Y165-E210 HydrophobicContact CG-CG 3.67Å; Q194-E210 PolarHBondContact NE2-OE2 2.86Å; S195-E210 WeakPolarHBondContact CB-O 3.29Å; S195-E210 PolarHBondContact OG-O 2.89Å; E210-Q214 HydrophobicContact CB-CB 4.32Å; E210-Q214 VanDerWaalsContact OE2-CD 3.3Å; E210-Q214 PolarHBondContact OE2-OE1 2.87Å; E210-R215 HydrophobicContact CB-CG 4.46Å
211	T	91	Very high	90.6	Very high	17 Å²	17	49.5 Å²	49.5	10%	0.104	25%	0.254	C	S	.	.			trans	-108.3	166.9	174.4	63	0	0	0	0	111.7	Q194 Y213 Q214 R215 Y229 D231	Q194-T211 HydrophobicContact CB-CG2 3.95Å; T211-Y213 PolarHBondContact O-N 3Å; T211-Y213 PolarHBondContact OG1-N 2.86Å; T211-Q214 PolarHBondContact O-N 2.82Å; T211-Q214 PolarHBondContact OG1-N 2.96Å; T211-Q214 PolarHBondContact OG1-OE1 2.99Å; T211-R215 PolarHBondContact O-N 3.29Å; T211-R215 VanDerWaalsContact O-N 3.07Å; T211-Y229 WeakPolarHBondContact CA-OH 3.37Å; T211-D231 WeakPolarHBondContact CA-OD1 3.22Å; T211-D231 WeakPolarHBondContact CB-OD1 3.23Å; T211-D231 WeakPolarHBondContact CG2-OD1 3.36Å
212	K	90.9	Very high	90.6	Very high	20 Å²	20	46.2 Å²	46.2	9%	0.087	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.4	169.7	70.4	179.2	-169.5	-84.9	0	114.3	E155 I157 R215 P216 F219 Y229 D231	E155-K212 IonicContact OE1-NZ 2.75Å; E155-K212 PolarHBondContact OE1-NZ 3.18Å; I157-K212 HydrophobicContact CD1-CD 3.75Å; K212-R215 CarbonylContact O-C 3.58Å; K212-P216 VanDerWaalsContact O-CA 3.28Å; K212-P216 WeakPolarHBondContact O-CA 3.3Å; K212-F219 HydrophobicContact CB-CB 4.17Å; K212-F219 HydrophobicContact CB-CD1 3.82Å; K212-F219 HydrophobicContact CB-CD2 3.6Å; K212-F219 HydrophobicContact CB-CE1 4.08Å; K212-F219 HydrophobicContact CB-CE2 3.88Å; K212-F219 HydrophobicContact CB-CG 3.57Å; K212-F219 HydrophobicContact CB-CZ 4.11Å; K212-F219 HydrophobicContact CD-CD1 4.04Å; K212-F219 HydrophobicContact CD-CE1 3.53Å; K212-F219 HydrophobicContact CD-CE2 4.19Å; K212-F219 HydrophobicContact CD-CZ 3.61Å; K212-F219 HydrophobicContact CG-CE1 4.45Å; K212-F219 HydrophobicContact CG-CZ 4.5Å; K212-Y229 HydrophobicContact CB-CE1 4.15Å; K212-Y229 HydrophobicContact CD-CE1 4.13Å; K212-Y229 HydrophobicContact CG-CE1 4.24Å; K212-Y229 PolarHBondContact N-OH 3.47Å; K212-D231 WeakPolarHBondContact CG-OD2 3.08Å; K212-D231 IonicContact NZ-OD2 3.49Å; K212-D231 PolarHBondContact NZ-OD2 2.05Å
213	Y	87	Confident	90.5	Very high	60 Å²	60	45.6 Å²	45.6	24%	0.235	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-36.5	176.4	-62.4	-77	0	0	0	112.1	E155 T211 R309	E155-Y213 PolarHBondContact OE1-OH 3.2Å; T211-Y213 PolarHBondContact O-N 3Å; T211-Y213 PolarHBondContact OG1-N 2.86Å; Y213-R309 HydrophobicContact CE1-CG 3.84Å; Y213-R309 HydrophobicContact CE2-CG 4.1Å; Y213-R309 WeakPolarHBondContact OH-CG 3.38Å
214	Q	83.1	Confident	90.2	Very high	45 Å²	45	47.8 Å²	47.8	21%	0.21	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-39.1	169.9	-78.7	133.8	-19.2	0	0	111.2	Q194 E210 T211	Q194-Q214 VanDerWaalsContact NE2-NE2 3.11Å; E210-Q214 HydrophobicContact CB-CB 4.32Å; E210-Q214 VanDerWaalsContact OE2-CD 3.3Å; E210-Q214 PolarHBondContact OE2-OE1 2.87Å; T211-Q214 PolarHBondContact O-N 2.82Å; T211-Q214 PolarHBondContact OG1-N 2.96Å; T211-Q214 PolarHBondContact OG1-OE1 2.99Å
215	R	82.7	Confident	89.9	Confident	20 Å²	20	49 Å²	49	8%	0.075	25%	0.248	C	C	.	.			trans	-134.7	68.5	-172	-64.1	-60.3	-51.5	-143.7	-1.4	113.1	L162 Y165 E210 T211 K212 D217 L218	L162-R215 HydrophobicContact CD1-CB 4Å; Y165-R215 HydrophobicContact CD2-CB 4.38Å; Y165-R215 HydrophobicContact CD2-CG 4.1Å; Y165-R215 HydrophobicContact CE2-CB 3.99Å; Y165-R215 HydrophobicContact CE2-CG 3.46Å; Y165-R215 VanDerWaalsContact CE2-CG 3.46Å; Y165-R215 VanDerWaalsContact OH-CZ 3.29Å; Y165-R215 PolarHBondContact OH-NE 2.82Å; Y165-R215 PolarHBondContact OH-NH1 2.81Å; E210-R215 HydrophobicContact CB-CG 4.46Å; T211-R215 PolarHBondContact O-N 3.29Å; T211-R215 VanDerWaalsContact O-N 3.07Å; K212-R215 CarbonylContact O-C 3.58Å; R215-D217 WeakPolarHBondContact CA-OD1 3.32Å; R215-D217 IonicContact CZ-OD1 2.69Å; R215-D217 IonicContact CZ-OD2 2.8Å; R215-D217 IonicContact NE-OD1 2.69Å; R215-D217 PolarHBondContact NE-OD1 3.07Å; R215-D217 IonicContact NE-OD2 3.9Å; R215-D217 IonicContact NH2-OD1 2.61Å; R215-D217 PolarHBondContact NH2-OD1 3.07Å; R215-D217 IonicContact NH2-OD2 3.4Å; R215-D217 PolarHBondContact NH2-OD2 2.9Å; R215-D217 PolarHBondContact O-N 2.9Å; R215-L218 PolarHBondContact O-N 2.89Å
216	P	84.2	Confident	89.6	Confident	76 Å²	76	49.3 Å²	49.3	49%	0.494	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-67.6	-26.7	179	28.7	-35.4	0	0	0	112.5	K212 L218 F219	K212-P216 VanDerWaalsContact O-CA 3.28Å; K212-P216 WeakPolarHBondContact O-CA 3.3Å; P216-L218 VanDerWaalsContact C-N 3.32Å; P216-L218 PolarHBondContact O-N 3Å; P216-F219 PolarHBondContact O-N 2.88Å
217	D	80.4	Confident	89.4	Confident	85 Å²	85	48 Å²	48	46%	0.455	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-62.1	-35.1	177.9	69.4	-53.2	0	0	0	113.1	R215	R215-D217 WeakPolarHBondContact CA-OD1 3.32Å; R215-D217 IonicContact CZ-OD1 2.69Å; R215-D217 IonicContact CZ-OD2 2.8Å; R215-D217 IonicContact NE-OD1 2.69Å; R215-D217 PolarHBondContact NE-OD1 3.07Å; R215-D217 IonicContact NE-OD2 3.9Å; R215-D217 IonicContact NH2-OD1 2.61Å; R215-D217 PolarHBondContact NH2-OD1 3.07Å; R215-D217 IonicContact NH2-OD2 3.4Å; R215-D217 PolarHBondContact NH2-OD2 2.9Å; R215-D217 PolarHBondContact O-N 2.9Å
218	L	88.7	Confident	89.2	Confident	48 Å²	48	48 Å²	48	25%	0.251	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-97.8	11	179.7	-59.4	-160.6	0	0	0	113.5	L162 V163 Y165 R215 P216 V220	L162-L218 HydrophobicContact CD1-CB 4.09Å; V163-L218 HydrophobicContact CB-CB 4.15Å; V163-L218 HydrophobicContact CB-CD1 4.35Å; V163-L218 PolarHBondContact N-O 2.82Å; V163-L218 VanDerWaalsContact O-CD1 3.26Å; V163-L218 WeakPolarHBondContact O-CD1 3.32Å; Y165-L218 HydrophobicContact CD2-CD1 4.4Å; Y165-L218 HydrophobicContact CE2-CD1 3.82Å; R215-L218 PolarHBondContact O-N 2.89Å; P216-L218 VanDerWaalsContact C-N 3.32Å; P216-L218 PolarHBondContact O-N 3Å; L218-V220 PolarHBondContact O-N 2.88Å
219	F	92.5	Very high	89.3	Confident	28 Å²	28	48 Å²	48	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	67.4	-176.1	-168.6	-117.5	0	0	0	113.6	I157 K160 I161 K212 P216 Y229	I157-F219 HydrophobicContact CB-CZ 4.41Å; I157-F219 HydrophobicContact CD1-CE1 4.01Å; I157-F219 HydrophobicContact CD1-CZ 3.9Å; I157-F219 HydrophobicContact CG2-CZ 4.5Å; K160-F219 HydrophobicContact CB-CD2 4.5Å; K160-F219 HydrophobicContact CB-CE1 4.17Å; K160-F219 HydrophobicContact CB-CE2 3.64Å; K160-F219 HydrophobicContact CB-CZ 3.44Å; K160-F219 VanDerWaalsContact CB-CZ 3.44Å; K160-F219 HydrophobicContact CD-CD1 4.12Å; K160-F219 HydrophobicContact CD-CE1 3.77Å; K160-F219 HydrophobicContact CD-CE2 4.42Å; K160-F219 HydrophobicContact CD-CZ 3.94Å; K160-F219 HydrophobicContact CG-CE1 3.71Å; K160-F219 HydrophobicContact CG-CE2 4.13Å; K160-F219 HydrophobicContact CG-CZ 3.48Å; K160-F219 VanDerWaalsContact CG-CZ 3.48Å; K160-F219 PolarHBondContact NZ-O 3.05Å; I161-F219 CarbonylContact O-C 3.53Å; I161-F219 WeakPolarHBondContact O-CA 3.34Å; K212-F219 HydrophobicContact CB-CB 4.17Å; K212-F219 HydrophobicContact CB-CD1 3.82Å; K212-F219 HydrophobicContact CB-CD2 3.6Å; K212-F219 HydrophobicContact CB-CE1 4.08Å; K212-F219 HydrophobicContact CB-CE2 3.88Å; K212-F219 HydrophobicContact CB-CG 3.57Å; K212-F219 HydrophobicContact CB-CZ 4.11Å; K212-F219 HydrophobicContact CD-CD1 4.04Å; K212-F219 HydrophobicContact CD-CE1 3.53Å; K212-F219 HydrophobicContact CD-CE2 4.19Å; K212-F219 HydrophobicContact CD-CZ 3.61Å; K212-F219 HydrophobicContact CG-CE1 4.45Å; K212-F219 HydrophobicContact CG-CZ 4.5Å; P216-F219 PolarHBondContact O-N 2.88Å; F219-Y229 HydrophobicContact CD2-CE1 4.4Å; F219-Y229 HydrophobicContact CD2-CE2 4.5Å; F219-Y229 AromaticContact CE2-CD1 3.44Å; F219-Y229 HydrophobicContact CE2-CD1 3.44Å; F219-Y229 VanDerWaalsContact CE2-CD1 3.44Å; F219-Y229 AromaticContact CE2-CD2 3.92Å; F219-Y229 HydrophobicContact CE2-CD2 3.92Å; F219-Y229 AromaticContact CE2-CE1 3.55Å; F219-Y229 HydrophobicContact CE2-CE1 3.55Å; F219-Y229 HydrophobicContact CE2-CE2 4.04Å; F219-Y229 AromaticContact CE2-CG 3.61Å; F219-Y229 HydrophobicContact CE2-CG 3.61Å; F219-Y229 AromaticContact CE2-CZ 3.84Å; F219-Y229 AromaticContact CZ-CD1 3.72Å; F219-Y229 HydrophobicContact CZ-CD1 3.72Å; F219-Y229 HydrophobicContact CZ-CE1 4.01Å; F219-Y229 HydrophobicContact CZ-CG 4.18Å
220	V	94	Very high	89.6	Confident	66 Å²	66	46.2 Å²	46.2	40%	0.4	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	159.4	-168.2	-57.8	0	0	0	0	113.9	K160 I161 V163 L218	K160-V220 WeakPolarHBondContact CA-O 3.26Å; K160-V220 WeakPolarHBondContact CD-O 3.3Å; I161-V220 HydrophobicContact CD1-CG2 3.85Å; I161-V220 HydrophobicContact CG1-CG2 3.52Å; I161-V220 PolarHBondContact N-O 2.74Å; I161-V220 PolarHBondContact O-N 2.79Å; I161-V220 VanDerWaalsContact O-N 3.14Å; V163-V220 HydrophobicContact CG2-CG2 3.95Å; L218-V220 PolarHBondContact O-N 2.88Å
221	E	92.6	Very high	90	Very high	90 Å²	90	44.9 Å²	44.9	42%	0.421	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.8	170.3	-56.1	-74.6	115.4	0	0	110.4	R41 Q159 K160 N223	R41-E221 IonicContact NH2-OE2 2.71Å; Q159-E221 WeakPolarHBondContact O-CA 3.3Å; K160-E221 WeakPolarHBondContact CD-OE1 3.39Å; K160-E221 WeakPolarHBondContact CE-OE1 3.35Å; K160-E221 IonicContact NZ-OE1 2.67Å; K160-E221 PolarHBondContact NZ-OE1 2.86Å; E221-N223 PolarHBondContact O-ND2 2.85Å
222	E	91.8	Very high	90.1	Very high	30 Å²	30	44.6 Å²	44.6	14%	0.14	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-92.5	150.5	159.2	-173.3	48.1	-104.4	0	0	109.6	Q159 I161 K224 V227	Q159-E222 PolarHBondContact O-N 3.37Å; Q159-E222 PolarHBondContact OE1-O 2.93Å; Q159-E222 VanDerWaalsContact OE1-O 3.05Å; I161-E222 HydrophobicContact CG2-CB 4.1Å; E222-K224 WeakPolarHBondContact OE1-CB 3.33Å; E222-K224 PolarHBondContact OE1-N 3.01Å; E222-V227 HydrophobicContact CB-CG1 3.66Å; E222-V227 HydrophobicContact CG-CG1 4.02Å
223	N	89.9	Confident	90.2	Very high	104 Å²	104	44.1 Å²	44.1	56%	0.556	22%	0.224	S	C	*	.			trans	-140.6	-6.7	-171	-74.3	-94.5	0	0	0	113.7	I40 E221	I40-N223 WeakPolarHBondContact CD1-O 3.2Å; E221-N223 PolarHBondContact O-ND2 2.85Å
224	K	88.5	Confident	90.4	Very high	159 Å²	159	42.1 Å²	42.1	69%	0.691	22%	0.218	S	C	*	.	S	Bend	trans	-102.5	-51	-179.7	-59.9	165.6	-168.4	153.7	0	112	I40 E222	I40-K224 WeakPolarHBondContact CD1-O 3.42Å; E222-K224 WeakPolarHBondContact OE1-CB 3.33Å; E222-K224 PolarHBondContact OE1-N 3.01Å
225	D	89.8	Confident	90.6	Very high	78 Å²	78	40.7 Å²	40.7	42%	0.417	21%	0.214	S	C	.	.	S	Bend	trans	-111.2	156.5	-164.3	-52.4	-48.1	0	0	0	110.7	Q159 V227	Q159-D225 PolarHBondContact NE2-O 2.86Å; Q159-D225 PolarHBondContact OE1-O 3.32Å; D225-V227 PolarHBondContact O-N 3.32Å
226	S	90.6	Very high	90.4	Very high	7 Å²	7	41 Å²	41	5%	0.049	22%	0.224	C	C	.	.			trans	-76.1	118.2	174.6	-165.1	0	0	0	0	109.3	P200 D201	P200-S226 WeakPolarHBondContact CD-O 3.31Å; P200-S226 WeakPolarHBondContact CG-OG 3.33Å; D201-S226 WeakPolarHBondContact OD2-CB 3.45Å
227	V	92.9	Very high	90.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.			trans	-143.6	145.4	179	69.1	0	0	0	0	112.6	Q159 I161 M197 F198 Y199 E222 D225	Q159-V227 PolarHBondContact N-O 2.95Å; I161-V227 HydrophobicContact CG2-CG1 3.94Å; I161-V227 HydrophobicContact CG2-CG2 4.02Å; M197-V227 HydrophobicContact CB-CG2 4.21Å; F198-V227 WeakPolarHBondContact O-CA 3.29Å; Y199-V227 HydrophobicContact CD1-CB 4.01Å; Y199-V227 HydrophobicContact CD1-CG2 4.02Å; Y199-V227 HydrophobicContact CD2-CG2 4.06Å; Y199-V227 HydrophobicContact CE1-CB 3.82Å; Y199-V227 HydrophobicContact CE1-CG2 3.71Å; Y199-V227 HydrophobicContact CE2-CG2 3.73Å; Y199-V227 HydrophobicContact CG-CG2 4.19Å; E222-V227 HydrophobicContact CB-CG1 3.66Å; E222-V227 HydrophobicContact CG-CG1 4.02Å; D225-V227 PolarHBondContact O-N 3.32Å
228	V	92.6	Very high	90.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.4	173.3	-180	0	0	0	0	109.1	V44 L156 M175 M197 F198	V44-V228 HydrophobicContact CG1-CG2 3.47Å; V44-V228 VanDerWaalsContact CG1-CG2 3.47Å; L156-V228 HydrophobicContact CD1-CG1 3.73Å; L156-V228 HydrophobicContact CD2-CG1 3.89Å; L156-V228 HydrophobicContact CG-CG1 3.56Å; M175-V228 HydrophobicContact CE-CB 3.73Å; M175-V228 HydrophobicContact CE-CG1 3.74Å; M175-V228 HydrophobicContact CE-CG2 3.8Å; M197-V228 CarbonylContact C-O 3.59Å; M197-V228 WeakPolarHBondContact CA-O 3.29Å; F198-V228 PolarHBondContact N-O 2.71Å; F198-V228 PolarHBondContact O-N 2.88Å
229	Y	95.7	Very high	90.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	146.6	169.7	-178.3	-99.3	0	0	0	110.7	I157 L162 S195 A196 M197 T211 K212 F219 D231	I157-Y229 PolarHBondContact N-O 3.14Å; I157-Y229 WeakPolarHBondContact O-CB 3.25Å; I157-Y229 PolarHBondContact O-N 3.44Å; L162-Y229 HydrophobicContact CB-CD2 4.37Å; L162-Y229 HydrophobicContact CB-CE2 3.67Å; L162-Y229 HydrophobicContact CD2-CE2 4.29Å; S195-Y229 VanDerWaalsContact CB-CZ 3.47Å; S195-Y229 WeakPolarHBondContact CB-OH 3.46Å; S195-Y229 WeakPolarHBondContact OG-CE2 3.35Å; S195-Y229 PolarHBondContact OG-OH 3.03Å; A196-Y229 WeakPolarHBondContact O-CA 3.38Å; M197-Y229 HydrophobicContact CG-CD2 3.77Å; T211-Y229 WeakPolarHBondContact CA-OH 3.37Å; K212-Y229 HydrophobicContact CB-CE1 4.15Å; K212-Y229 HydrophobicContact CD-CE1 4.13Å; K212-Y229 HydrophobicContact CG-CE1 4.24Å; K212-Y229 PolarHBondContact N-OH 3.47Å; F219-Y229 HydrophobicContact CD2-CE1 4.4Å; F219-Y229 HydrophobicContact CD2-CE2 4.5Å; F219-Y229 AromaticContact CE2-CD1 3.44Å; F219-Y229 HydrophobicContact CE2-CD1 3.44Å; F219-Y229 VanDerWaalsContact CE2-CD1 3.44Å; F219-Y229 AromaticContact CE2-CD2 3.92Å; F219-Y229 HydrophobicContact CE2-CD2 3.92Å; F219-Y229 AromaticContact CE2-CE1 3.55Å; F219-Y229 HydrophobicContact CE2-CE1 3.55Å; F219-Y229 HydrophobicContact CE2-CE2 4.04Å; F219-Y229 AromaticContact CE2-CG 3.61Å; F219-Y229 HydrophobicContact CE2-CG 3.61Å; F219-Y229 AromaticContact CE2-CZ 3.84Å; F219-Y229 AromaticContact CZ-CD1 3.72Å; F219-Y229 HydrophobicContact CZ-CD1 3.72Å; F219-Y229 HydrophobicContact CZ-CE1 4.01Å; F219-Y229 HydrophobicContact CZ-CG 4.18Å; Y229-D231 PolarHBondContact OH-OD1 3.35Å
230	F	95.5	Very high	89.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	139.3	163.4	58	-95.8	0	0	0	113.9	F154 E155 M175 C178 W179 C182 S195 A196	F154-F230 HydrophobicContact CB-CB 4.44Å; F154-F230 HydrophobicContact CB-CD2 4.43Å; F154-F230 AromaticContact CD1-CD2 3.4Å; F154-F230 HydrophobicContact CD1-CD2 3.4Å; F154-F230 AromaticContact CD1-CE2 3.72Å; F154-F230 HydrophobicContact CD1-CE2 3.72Å; F154-F230 HydrophobicContact CD1-CG 4.37Å; F154-F230 AromaticContact CE1-CD2 3.83Å; F154-F230 HydrophobicContact CE1-CD2 3.83Å; F154-F230 AromaticContact CE1-CE2 3.62Å; F154-F230 HydrophobicContact CE1-CE2 3.62Å; F154-F230 HydrophobicContact CG-CD2 4.09Å; F154-F230 HydrophobicContact CZ-CE2 4.37Å; E155-F230 CarbonylContact O-C 2.92Å; E155-F230 WeakPolarHBondContact O-CA 3.37Å; E155-F230 WeakPolarHBondContact O-CB 3.41Å; M175-F230 HydrophobicContact SD-CD1 4.29Å; M175-F230 HydrophobicContact SD-CE1 4.01Å; C178-F230 HydrophobicContact CB-CZ 4.47Å; W179-F230 AromaticContact CD1-CE1 3.73Å; W179-F230 AromaticContact CD1-CE2 3.69Å; W179-F230 AromaticContact CD1-CZ 3.45Å; W179-F230 VanDerWaalsContact CD1-CZ 3.45Å; W179-F230 AromaticContact NE1-CD1 3.93Å; W179-F230 AromaticContact NE1-CE1 3.85Å; C182-F230 HydrophobicContact CB-CE2 4.18Å; S195-F230 CarbonylContact C-O 3.28Å; S195-F230 WeakPolarHBondContact CA-O 3.46Å; S195-F230 VanDerWaalsContact CB-O 3.27Å; S195-F230 WeakPolarHBondContact CB-O 3.35Å; A196-F230 HydrophobicContact CB-CD2 4.39Å; A196-F230 HydrophobicContact CB-CE1 4.2Å; A196-F230 HydrophobicContact CB-CE2 3.73Å; A196-F230 HydrophobicContact CB-CZ 3.62Å; A196-F230 PolarHBondContact N-O 3.3Å; A196-F230 PolarHBondContact O-N 2.86Å
231	D	94.7	Very high	88.4	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.053	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	142.2	167.2	-67.9	-62.9	0	0	0	110.5	F154 E155 T211 K212 Y229 N233	F154-D231 VanDerWaalsContact CA-O 3.31Å; F154-D231 WeakPolarHBondContact CA-O 3.06Å; E155-D231 HydrophobicContact CB-CB 4.45Å; E155-D231 PolarHBondContact N-O 2.81Å; E155-D231 VanDerWaalsContact N-O 3.09Å; E155-D231 PolarHBondContact O-N 3.1Å; T211-D231 WeakPolarHBondContact CA-OD1 3.22Å; T211-D231 WeakPolarHBondContact CB-OD1 3.23Å; T211-D231 WeakPolarHBondContact CG2-OD1 3.36Å; K212-D231 WeakPolarHBondContact CG-OD2 3.08Å; K212-D231 IonicContact NZ-OD2 3.49Å; K212-D231 PolarHBondContact NZ-OD2 2.05Å; Y229-D231 PolarHBondContact OH-OD1 3.35Å; D231-N233 PolarHBondContact O-N 3.01Å
232	S	94.6	Very high	87.8	Confident	10 Å²	10	32 Å²	32	7%	0.07	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	101	175.1	-177.8	0	0	0	0	109.8	C193 Q194 C234 A235	C193-S232 WeakPolarHBondContact O-CB 3.36Å; Q194-S232 WeakPolarHBondContact O-CB 3.24Å; Q194-S232 PolarHBondContact O-N 3.12Å; S232-C234 PolarHBondContact O-N 3.21Å; S232-A235 WeakPolarHBondContact O-CB 3.07Å; S232-A235 PolarHBondContact O-N 3.13Å; S232-A235 VanDerWaalsContact O-N 3.13Å
233	N	92.7	Very high	87.5	Confident	10 Å²	10	31.1 Å²	31.1	5%	0.053	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.9	179.2	-166.4	43	0	0	0	112	S150 F152 A153 D231 A235 N284 K286 D301	S150-N233 PolarHBondContact OG-ND2 3.29Å; F152-N233 HydrophobicContact CD2-CB 3.88Å; F152-N233 WeakPolarHBondContact CE1-ND2 3.47Å; F152-N233 HydrophobicContact CE2-CB 3.51Å; F152-N233 HydrophobicContact CZ-CB 3.95Å; F152-N233 VanDerWaalsContact CZ-ND2 3.28Å; F152-N233 WeakPolarHBondContact CZ-ND2 3.48Å; F152-N233 WeakPolarHBondContact CZ-OD1 3.47Å; F152-N233 VanDerWaalsContact O-CB 3.3Å; F152-N233 WeakPolarHBondContact O-CB 3.42Å; F152-N233 PolarHBondContact O-ND2 2.86Å; A153-N233 WeakPolarHBondContact O-CB 3.44Å; A153-N233 PolarHBondContact O-N 3.25Å; D231-N233 PolarHBondContact O-N 3.01Å; N233-A235 PolarHBondContact O-N 3.46Å; N233-N284 PolarHBondContact O-ND2 3.04Å; N233-K286 WeakPolarHBondContact O-CE 3.38Å; N233-K286 PolarHBondContact O-NZ 2.76Å; N233-K286 PolarHBondContact OD1-NZ 2.77Å; N233-D301 PolarHBondContact ND2-OD2 2.94Å
234	C	90.9	Very high	87.4	Confident	18 Å²	18	26.3 Å²	26.3	12%	0.122	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.1	176.6	-57	0	0	0	0	114.4	C148 L183 S232	C148-C234 HydrophobicContact CB-CB 3.56Å; C148-C234 WeakPolarHBondContact CB-SG 3.43Å; C148-C234 PolarHBondContact N-SG 2.7Å; C148-C234 WeakPolarHBondContact SG-CA 3.48Å; C148-C234 WeakPolarHBondContact SG-CB 3.31Å; C148-C234 CovalentContact SG-SG 2.04Å; C148-C234 PolarHBondContact SG-SG 3.4Å; L183-C234 HydrophobicContact CD2-CB 4.03Å; S232-C234 PolarHBondContact O-N 3.21Å
235	A	86.8	Confident	87.5	Confident	16 Å²	16	19.6 Å²	19.6	13%	0.132	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	161.8	173.4	0	0	0	0	0	112.4	Q194 S232 N233 A237 K286	Q194-A235 HydrophobicContact CG-CB 4.31Å; S232-A235 WeakPolarHBondContact O-CB 3.07Å; S232-A235 PolarHBondContact O-N 3.13Å; S232-A235 VanDerWaalsContact O-N 3.13Å; N233-A235 PolarHBondContact O-N 3.46Å; A235-A237 VanDerWaalsContact C-N 3.25Å; A235-A237 PolarHBondContact O-N 3.05Å; A235-A237 VanDerWaalsContact O-N 3.11Å; A235-K286 VanDerWaalsContact O-CE 3.28Å; A235-K286 WeakPolarHBondContact O-CE 3.05Å
236	G	78.5	Confident	87.6	Confident	27 Å²	27	16.1 Å²	16.1	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	5.3	168.1	0	0	0	0	0	117.3	R303	G236-R303 PolarHBondContact O-NH2 3.1Å
237	A	81.8	Confident	87.8	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-96	-4.5	174	0	0	0	0	0	113.9	A235 N284 C285 K286 K323	A235-A237 VanDerWaalsContact C-N 3.25Å; A235-A237 PolarHBondContact O-N 3.05Å; A235-A237 VanDerWaalsContact O-N 3.11Å; A237-N284 WeakPolarHBondContact CB-OD1 3Å; A237-C285 WeakPolarHBondContact CB-O 3.11Å; A237-K286 HydrophobicContact CB-CG 4Å; A237-K323 PolarHBondContact O-NZ 3.24Å
238	S	83.5	Confident	87.9	Confident	57 Å²	57	16 Å²	16	40%	0.399	12%	0.115	S	C	.	.	S	Bend	trans	-149.6	148	171.4	50.2	0	0	0	0	110.8	R276	S238-R276 PolarHBondContact OG-NH2 3.28Å
239	C	82.5	Confident	88.1	Confident	11 Å²	11	17.2 Å²	17.2	7%	0.074	12%	0.12	C	C	.	.			trans	-79.5	176.9	173	-54.4	0	0	0	0	112.6	S243 M245 C325	C239-S243 WeakPolarHBondContact CB-OG 3.4Å; C239-M245 HydrophobicContact CB-CG 4.16Å; C239-M245 HydrophobicContact CB-SD 4.37Å; C239-M245 WeakPolarHBondContact SG-CE 3.13Å; C239-M245 WeakPolarHBondContact SG-CG 3.49Å; C239-C325 WeakPolarHBondContact CA-SG 3.43Å; C239-C325 HydrophobicContact CB-CB 3.91Å; C239-C325 WeakPolarHBondContact CB-SG 3.47Å; C239-C325 WeakPolarHBondContact SG-CA 3.46Å; C239-C325 WeakPolarHBondContact SG-CB 3.31Å; C239-C325 CovalentContact SG-SG 2.04Å; C239-C325 PolarHBondContact SG-SG 3.12Å
240	S	75.3	Confident	88.1	Confident	66 Å²	66	17.6 Å²	17.6	46%	0.462	12%	0.122	S	C	.	.			trans	-147.3	134.4	-176.2	59.9	0	0	0	0	113	S243 S497	S240-S243 PolarHBondContact N-OG 2.8Å; S240-S243 PolarHBondContact O-OG 2.95Å; S240-S497 CarbonylContact C-O 3.59Å
241	G	75.5	Confident	88	Confident	31 Å²	31	22.3 Å²	22.3	32%	0.32	14%	0.144	S	C	.	.	S	Bend	trans	72.2	-129.1	174.9	0	0	0	0	0	112.8	S243 S497 T498	G241-S243 PolarHBondContact O-N 2.77Å; G241-S243 VanDerWaalsContact O-N 3.11Å; G241-S497 PolarHBondContact N-O 2.8Å; G241-S497 WeakPolarHBondContact O-CB 2.98Å; G241-S497 PolarHBondContact O-OG 3.24Å; G241-T498 WeakPolarHBondContact CA-OG1 3.3Å; G241-T498 PolarHBondContact O-OG1 3.15Å
242	D	79.9	Confident	88	Confident	39 Å²	39	23.1 Å²	23.1	21%	0.209	15%	0.154	C	C	.	.	S	Bend	trans	-85.3	50.7	179.2	-59.2	-36.8	0	0	0	111.6	T449 N451 N452	D242-T449 PolarHBondContact OD1-OG1 3.18Å; D242-T449 PolarHBondContact OD2-OG1 2.95Å; D242-N451 HydrophobicContact CB-CB 3.88Å; D242-N451 WeakPolarHBondContact OD2-CB 3.46Å; D242-N451 PolarHBondContact OD2-ND2 2.04Å; D242-N452 WeakPolarHBondContact OD1-CB 3.33Å; D242-N452 PolarHBondContact OD1-ND2 2.78Å
243	S	85.8	Confident	87.9	Confident	11 Å²	11	22.8 Å²	22.8	8%	0.077	15%	0.152	C	C	.	.			trans	-135.2	145.4	177.1	55.9	0	0	0	0	112.5	C239 S240 G241 Y326 S497	C239-S243 WeakPolarHBondContact CB-OG 3.4Å; S240-S243 PolarHBondContact N-OG 2.8Å; S240-S243 PolarHBondContact O-OG 2.95Å; G241-S243 PolarHBondContact O-N 2.77Å; G241-S243 VanDerWaalsContact O-N 3.11Å; S243-Y326 CarbonylContact C-O 3.51Å; S243-Y326 VanDerWaalsContact CA-O 3.25Å; S243-Y326 WeakPolarHBondContact CA-O 3.34Å; S243-Y326 WeakPolarHBondContact CB-O 3.5Å; S243-S497 WeakPolarHBondContact O-CB 3.22Å
244	V	87.4	Confident	87.8	Confident	3 Å²	3	24.6 Å²	24.6	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.2	-173.1	154.9	0	0	0	0	111.6	Q246 C325 Y326 T331 R477 F492	V244-Q246 HydrophobicContact CG1-CG 4.26Å; V244-C325 WeakPolarHBondContact O-CA 3.36Å; V244-Y326 PolarHBondContact N-O 2.66Å; V244-Y326 PolarHBondContact O-N 3.14Å; V244-Y326 VanDerWaalsContact O-N 3.11Å; V244-T331 HydrophobicContact CG1-CG2 3.89Å; V244-R477 VanDerWaalsContact CG1-CZ 3.48Å; V244-F492 HydrophobicContact CB-CE2 4.41Å; V244-F492 HydrophobicContact CG2-CD2 3.64Å; V244-F492 HydrophobicContact CG2-CE2 3.66Å
245	M	90.8	Very high	87.8	Confident	17 Å²	17	23.9 Å²	23.9	8%	0.084	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	125.7	171.7	-65	-99	38.3	0	0	110.6	C239 K323	C239-M245 HydrophobicContact CB-CG 4.16Å; C239-M245 HydrophobicContact CB-SD 4.37Å; C239-M245 WeakPolarHBondContact SG-CE 3.13Å; C239-M245 WeakPolarHBondContact SG-CG 3.49Å; M245-K323 HydrophobicContact CE-CB 3.81Å; M245-K323 HydrophobicContact CE-CD 3.74Å; M245-K323 HydrophobicContact CE-CG 3.87Å; M245-K323 HydrophobicContact SD-CD 4.41Å
246	Q	91.9	Very high	87.5	Confident	5 Å²	5	28.8 Å²	28.8	2%	0.023	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	177.4	171.4	-91.6	-58.2	-61.3	0	0	110.7	V244 K323 Q324 Y326 T331 Q334 S337	V244-Q246 HydrophobicContact CG1-CG 4.26Å; Q246-K323 CarbonylContact O-C 3.55Å; Q246-K323 WeakPolarHBondContact O-CA 3.21Å; Q246-Q324 PolarHBondContact N-O 2.69Å; Q246-Q324 VanDerWaalsContact N-O 3.07Å; Q246-Q324 PolarHBondContact O-N 2.91Å; Q246-Y326 HydrophobicContact CB-CD2 3.74Å; Q246-Y326 HydrophobicContact CB-CE2 3.58Å; Q246-Y326 HydrophobicContact CG-CD2 4.35Å; Q246-Y326 HydrophobicContact CG-CE2 4.46Å; Q246-T331 HydrophobicContact CB-CG2 4.26Å; Q246-T331 HydrophobicContact CG-CG2 3.47Å; Q246-T331 VanDerWaalsContact CG-CG2 3.47Å; Q246-Q334 PolarHBondContact OE1-O 3.11Å; Q246-S337 VanDerWaalsContact CG-OG 3.23Å; Q246-S337 WeakPolarHBondContact CG-OG 3.22Å; Q246-S337 PolarHBondContact OE1-OG 3.4Å
247	Y	94.7	Very high	87.6	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.2	177.1	-62.3	-100.7	0	0	0	113	E270 C273 T274 F288 E322 K323 V335 P336 S337	Y247-E270 HydrophobicContact CD2-CG 4.23Å; Y247-E270 HydrophobicContact CE2-CG 3.81Å; Y247-C273 WeakPolarHBondContact OH-CB 3.4Å; Y247-C273 PolarHBondContact OH-SG 2.89Å; Y247-T274 WeakPolarHBondContact CE2-OG1 3.42Å; Y247-T274 PolarHBondContact OH-N 3.01Å; Y247-T274 PolarHBondContact OH-OG1 2.84Å; Y247-F288 HydrophobicContact CD1-CD1 4.11Å; Y247-F288 AromaticContact CD1-CE1 3.75Å; Y247-F288 HydrophobicContact CD1-CE1 3.75Å; Y247-F288 HydrophobicContact CD2-CE1 4.35Å; Y247-F288 AromaticContact CE1-CD1 3.53Å; Y247-F288 HydrophobicContact CE1-CD1 3.53Å; Y247-F288 AromaticContact CE1-CE1 3.45Å; Y247-F288 HydrophobicContact CE1-CE1 3.45Å; Y247-F288 VanDerWaalsContact CE1-CE1 3.45Å; Y247-F288 HydrophobicContact CE2-CE1 4.12Å; Y247-F288 HydrophobicContact CG-CE1 4.2Å; Y247-F288 AromaticContact CZ-CD1 3.96Å; Y247-F288 AromaticContact CZ-CE1 3.67Å; Y247-E322 VanDerWaalsContact CA-O 3.23Å; Y247-E322 WeakPolarHBondContact CA-O 3.18Å; Y247-E322 VanDerWaalsContact CD1-C 3.5Å; Y247-K323 HydrophobicContact CD1-CG 4.11Å; Y247-K323 HydrophobicContact CE1-CB 4.32Å; Y247-K323 HydrophobicContact CE1-CG 3.38Å; Y247-K323 VanDerWaalsContact OH-CE 3.28Å; Y247-K323 WeakPolarHBondContact OH-CE 3.4Å; Y247-V335 HydrophobicContact CD2-CG1 3.68Å; Y247-V335 HydrophobicContact CD2-CG2 4.38Å; Y247-V335 HydrophobicContact CG-CG1 4.06Å; Y247-P336 WeakPolarHBondContact O-CA 3.3Å; Y247-P336 WeakPolarHBondContact O-CB 3.36Å; Y247-S337 PolarHBondContact O-N 2.54Å
248	T	95.7	Very high	87.8	Confident	5 Å²	5	31 Å²	31	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132	159.7	-58.3	0	0	0	0	108.7	Y321 E322 Q324 Y326 F338 R340 Q364 F418	T248-Y321 WeakPolarHBondContact O-CA 3.45Å; T248-E322 PolarHBondContact N-O 3.33Å; T248-E322 PolarHBondContact O-N 3.02Å; T248-Q324 WeakPolarHBondContact OG1-CG 3.48Å; T248-Y326 PolarHBondContact OG1-OH 3.31Å; T248-F338 CarbonylContact C-O 3.57Å; T248-F338 WeakPolarHBondContact CA-O 3.48Å; T248-F338 HydrophobicContact CG2-CB 4.07Å; T248-R340 HydrophobicContact CG2-CB 3.66Å; T248-Q364 PolarHBondContact OG1-NE2 2.85Å; T248-Q364 VanDerWaalsContact OG1-NE2 3.09Å; T248-F418 HydrophobicContact CG2-CD1 3.9Å; T248-F418 HydrophobicContact CG2-CE1 4.02Å
249	K	96	Very high	88	Confident	25 Å²	25	29.4 Å²	29.4	11%	0.109	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	148	176.6	-175.1	-173.3	-173.3	-164.1	0	111.3	E251 D319 Y320 Y321 P336 F338 R340	K249-E251 HydrophobicContact CD-CG 4.04Å; K249-E251 WeakPolarHBondContact CE-OE1 3.48Å; K249-E251 HydrophobicContact CG-CG 4.32Å; K249-E251 IonicContact NZ-OE1 3.86Å; K249-E251 PolarHBondContact NZ-OE1 3.44Å; K249-D319 WeakPolarHBondContact CE-OD2 3.2Å; K249-D319 HydrophobicContact CG-CB 4.43Å; K249-D319 IonicContact NZ-OD2 2.69Å; K249-D319 PolarHBondContact NZ-OD2 2.87Å; K249-Y320 CarbonylContact C-O 3.02Å; K249-Y320 VanDerWaalsContact CA-O 3.24Å; K249-Y320 WeakPolarHBondContact CA-O 3.38Å; K249-Y321 HydrophobicContact CB-CD1 4.14Å; K249-Y321 HydrophobicContact CB-CE1 4.01Å; K249-Y321 HydrophobicContact CD-CE1 4.08Å; K249-Y321 WeakPolarHBondContact CE-OH 3.33Å; K249-Y321 HydrophobicContact CG-CD1 4.3Å; K249-Y321 HydrophobicContact CG-CE1 3.86Å; K249-Y321 HydrophobicContact CG-CE2 4.42Å; K249-P336 HydrophobicContact CB-CB 3.84Å; K249-P336 HydrophobicContact CB-CG 3.68Å; K249-P336 HydrophobicContact CD-CG 4.32Å; K249-F338 PolarHBondContact N-O 3.4Å; K249-R340 PolarHBondContact O-N 2.89Å
250	T	95.4	Very high	88.5	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.043	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.3	161.5	-58.5	0	0	0	0	108.1	A253 Y320 P342	T250-A253 HydrophobicContact CG2-CB 3.93Å; T250-Y320 PolarHBondContact N-O 3.05Å; T250-Y320 PolarHBondContact O-N 3.42Å; T250-P342 HydrophobicContact CG2-CG 3.8Å
251	E	94	Very high	89.3	Confident	100 Å²	100	30.4 Å²	30.4	47%	0.467	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	147.6	-167.3	-47.4	-158.4	122.2	0	0	112.9	K249 A253 D319 I339	K249-E251 HydrophobicContact CD-CG 4.04Å; K249-E251 WeakPolarHBondContact CE-OE1 3.48Å; K249-E251 HydrophobicContact CG-CG 4.32Å; K249-E251 IonicContact NZ-OE1 3.86Å; K249-E251 PolarHBondContact NZ-OE1 3.44Å; E251-A253 PolarHBondContact O-N 2.83Å; E251-D319 WeakPolarHBondContact CA-OD1 3.38Å; E251-I339 HydrophobicContact CG-CG2 4Å
252	G	93.8	Very high	90	Very high	26 Å²	26	32.9 Å²	32.9	27%	0.268	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	22.7	178.2	0	0	0	0	0	114.3	A315 F318 D319	G252-A315 CarbonylContact C-O 3.59Å; G252-A315 CarbonylContact O-C 3.6Å; G252-A315 PolarHBondContact O-N 2.94Å; G252-F318 CarbonylContact C-O 3.36Å; G252-F318 WeakPolarHBondContact CA-O 3.29Å; G252-F318 PolarHBondContact N-O 3.27Å; G252-D319 PolarHBondContact N-OD1 2.03Å
253	A	92.4	Very high	90.4	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	-168.7	0	0	0	0	0	112.2	T250 E251 V312 F318 D319 Y320	T250-A253 HydrophobicContact CG2-CB 3.93Å; E251-A253 PolarHBondContact O-N 2.83Å; A253-V312 HydrophobicContact CB-CG2 3.86Å; A253-F318 PolarHBondContact N-O 2.91Å; A253-D319 CarbonylContact O-C 3.52Å; A253-Y320 PolarHBondContact O-N 2.87Å
254	K	91.8	Very high	90.7	Very high	49 Å²	49	35 Å²	35	21%	0.213	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	174.7	167.7	73.7	-179.6	-176.9	114.9	0	110.9	D256 M289 V313 A315 F318	K254-D256 IonicContact NZ-OD1 2.77Å; K254-D256 PolarHBondContact NZ-OD1 2.92Å; K254-M289 HydrophobicContact CB-CB 4.49Å; K254-M289 HydrophobicContact CB-CG 3.88Å; K254-V313 HydrophobicContact CG-CB 3.92Å; K254-V313 HydrophobicContact CG-CG1 4.31Å; K254-V313 PolarHBondContact N-O 3.34Å; K254-V313 PolarHBondContact O-N 3.17Å; K254-A315 HydrophobicContact CB-CB 4.12Å; K254-A315 HydrophobicContact CD-CB 3.6Å; K254-A315 HydrophobicContact CG-CB 3.63Å; K254-F318 HydrophobicContact CB-CB 4.36Å
255	I	90.4	Very high	90.9	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	22%	0.218	C	C	.	.			trans	-112.9	157.5	157.4	56.5	172.1	0	0	0	109.8	M289 S300 D302 L304 S310 Y320	I255-M289 HydrophobicContact CD1-CE 4.43Å; I255-M289 HydrophobicContact CD1-SD 4.29Å; I255-M289 HydrophobicContact CG1-CE 3.64Å; I255-M289 HydrophobicContact CG1-SD 3.58Å; I255-M289 VanDerWaalsContact CG1-SD 3.58Å; I255-S300 WeakPolarHBondContact CD1-OG 3.46Å; I255-D302 HydrophobicContact CD1-CB 4.41Å; I255-L304 HydrophobicContact CG2-CD1 3.73Å; I255-S310 VanDerWaalsContact CG2-CB 3.49Å; I255-Y320 HydrophobicContact CD1-CE2 4.23Å; I255-Y320 HydrophobicContact CG1-CE2 4.31Å; I255-Y320 HydrophobicContact CG2-CE2 4.32Å
256	D	80.3	Confident	90.9	Very high	119 Å²	119	39 Å²	39	64%	0.636	23%	0.226	S	C	*	.	S	Bend	trans	-81.5	-15.7	-175.2	-82.9	-30.7	0	0	0	114.7	K254	K254-D256 IonicContact NZ-OD1 2.77Å; K254-D256 PolarHBondContact NZ-OD1 2.92Å
257	Q	80.1	Confident	90.9	Very high	50 Å²	50	40.6 Å²	40.6	23%	0.234	23%	0.234	C	C	.	.			trans	-102.3	129.5	-178	-60.2	-172.7	13	0	0	111.6	S300	Q257-S300 WeakPolarHBondContact O-CB 3.45Å; Q257-S300 PolarHBondContact O-OG 3.14Å
258	G	86.1	Confident	90.8	Very high	22 Å²	22	40.6 Å²	40.6	23%	0.227	23%	0.234	C	C	.	.	S	Bend	trans	155.5	166	173.3	0	0	0	0	0	114.9	L299	G258-L299 CarbonylContact C-O 3.58Å; G258-L299 WeakPolarHBondContact CA-O 3.37Å
259	V	88.5	Confident	90.8	Very high	25 Å²	25	40.4 Å²	40.4	15%	0.152	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	111.1	-179.3	-178.7	0	0	0	0	110.5	E86 L261 Y283 I298 L299	E86-V259 HydrophobicContact CB-CG2 4.5Å; E86-V259 VanDerWaalsContact CD-CG2 3.49Å; E86-V259 HydrophobicContact CG-CG2 3.62Å; E86-V259 WeakPolarHBondContact OE1-CG2 3.48Å; V259-L261 HydrophobicContact CG1-CD2 4.16Å; V259-Y283 HydrophobicContact CG2-CE2 3.98Å; V259-I298 WeakPolarHBondContact O-CA 3.46Å; V259-L299 PolarHBondContact N-O 3.12Å; V259-L299 PolarHBondContact O-N 2.85Å
260	K	91.7	Very high	90.8	Very high	91 Å²	91	40.7 Å²	40.7	40%	0.396	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.7	177.7	-176.6	164.7	-178	-80.9	0	112.7	D262 R279 S296 C297 I298	K260-D262 IonicContact NZ-OD1 3.39Å; K260-D262 PolarHBondContact NZ-OD1 2.93Å; K260-D262 IonicContact NZ-OD2 3.91Å; K260-D262 PolarHBondContact NZ-OD2 2.99Å; K260-R279 PolarHBondContact O-NH2 3.33Å; K260-S296 WeakPolarHBondContact CE-OG 3.28Å; K260-C297 WeakPolarHBondContact CA-O 3.49Å; K260-I298 HydrophobicContact CB-CG1 4.15Å; K260-I298 HydrophobicContact CD-CG1 4.48Å; K260-I298 HydrophobicContact CG-CG1 4.12Å
261	L	92.3	Very high	90.8	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.6	177.3	-54.8	179.4	0	0	0	109.6	V259 L264 L272 R279 C297 L299 P544	V259-L261 HydrophobicContact CG1-CD2 4.16Å; L261-L264 HydrophobicContact CB-CD1 3.68Å; L261-L264 HydrophobicContact CB-CG 4.45Å; L261-L264 HydrophobicContact CD1-CD1 3.8Å; L261-L264 HydrophobicContact CG-CD1 4.41Å; L261-L272 HydrophobicContact CD1-CD1 3.74Å; L261-R279 HydrophobicContact CD2-CG 4.26Å; L261-C297 HydrophobicContact CB-CB 4.19Å; L261-C297 PolarHBondContact N-O 3.27Å; L261-C297 PolarHBondContact O-N 2.79Å; L261-C297 VanDerWaalsContact O-O 3.11Å; L261-L299 HydrophobicContact CD1-CD1 3.81Å; L261-L299 HydrophobicContact CD1-CG 4.12Å; L261-P544 HydrophobicContact CD1-CG 3.99Å; L261-P544 HydrophobicContact CD2-CG 4.21Å
262	D	91	Very high	90.9	Very high	82 Å²	82	36.3 Å²	36.3	44%	0.439	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135	-175.6	-75.7	-76.4	0	0	0	113.3	K260 K542	K260-D262 IonicContact NZ-OD1 3.39Å; K260-D262 PolarHBondContact NZ-OD1 2.93Å; K260-D262 IonicContact NZ-OD2 3.91Å; K260-D262 PolarHBondContact NZ-OD2 2.99Å; D262-K542 PolarHBondContact O-NZ 2.82Å
263	G	88.5	Confident	90.9	Very high	65 Å²	65	35.1 Å²	35.1	67%	0.67	20%	0.2	S	C	*	.	S	Bend	trans	84.4	38	175.9	0	0	0	0	0	113.5	G295	G263-G295 PolarHBondContact N-O 3.04Å
264	L	91.1	Very high	91	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.157	20%	0.204	C	C	.	.			trans	-109.6	152.9	175.2	-66.2	-177.3	0	0	0	110.9	L261 A268 L272 Y290 G295 C297	L261-L264 HydrophobicContact CB-CD1 3.68Å; L261-L264 HydrophobicContact CB-CG 4.45Å; L261-L264 HydrophobicContact CD1-CD1 3.8Å; L261-L264 HydrophobicContact CG-CD1 4.41Å; L264-A268 HydrophobicContact CB-CB 4.23Å; L264-A268 HydrophobicContact CD2-CB 4.29Å; L264-L272 HydrophobicContact CD1-CD1 3.6Å; L264-Y290 PolarHBondContact O-OH 2.79Å; L264-G295 PolarHBondContact N-O 2.84Å; L264-G295 WeakPolarHBondContact O-CA 3.25Å; L264-C297 HydrophobicContact CB-CB 4.33Å; L264-C297 HydrophobicContact CD1-CB 4.07Å
265	S	91.7	Very high	91	Very high	51 Å²	51	35.3 Å²	35.3	36%	0.357	20%	0.203	S	C	.	.			trans	-77.7	165.8	167.3	69.1	0	0	0	0	111.2	L267 A268 C269	S265-L267 PolarHBondContact O-N 2.91Å; S265-A268 PolarHBondContact O-N 3.05Å; S265-A268 VanDerWaalsContact OG-CB 3.31Å; S265-A268 WeakPolarHBondContact OG-CB 3.35Å; S265-A268 PolarHBondContact OG-N 2.7Å; S265-C269 PolarHBondContact O-N 2.73Å
266	F	92.4	Very high	91.1	Very high	54 Å²	54	37.8 Å²	37.8	24%	0.237	21%	0.212	C	C	.	.	H	α-helix	trans	-56.4	-49.8	172	174	-108.3	0	0	0	111.3	A268 C269 E270 F288 Y290 Y321 V335	F266-A268 VanDerWaalsContact C-N 3.28Å; F266-A268 PolarHBondContact O-N 3.42Å; F266-C269 WeakPolarHBondContact O-CB 3.25Å; F266-C269 PolarHBondContact O-N 3.13Å; F266-C269 VanDerWaalsContact O-N 3.13Å; F266-E270 WeakPolarHBondContact O-CB 3.43Å; F266-E270 PolarHBondContact O-N 3.18Å; F266-F288 HydrophobicContact CD2-CE2 4.18Å; F266-F288 HydrophobicContact CD2-CZ 4.43Å; F266-F288 AromaticContact CE2-CE2 3.72Å; F266-F288 HydrophobicContact CE2-CE2 3.72Å; F266-F288 AromaticContact CE2-CZ 3.66Å; F266-F288 HydrophobicContact CE2-CZ 3.66Å; F266-F288 HydrophobicContact CZ-CZ 4.18Å; F266-Y290 HydrophobicContact CB-CD1 4.04Å; F266-Y290 HydrophobicContact CB-CE1 3.66Å; F266-Y290 HydrophobicContact CB-CE2 4.49Å; F266-Y290 AromaticContact CD2-CD1 3.82Å; F266-Y290 HydrophobicContact CD2-CD1 3.82Å; F266-Y290 HydrophobicContact CD2-CE1 4.33Å; F266-Y290 HydrophobicContact CD2-CG 4.1Å; F266-Y290 HydrophobicContact CG-CD1 4.4Å; F266-Y290 HydrophobicContact CG-CE1 4.47Å; F266-Y290 VanDerWaalsContact N-CZ 3.29Å; F266-Y290 PolarHBondContact N-OH 3.4Å; F266-Y321 HydrophobicContact CE2-CD1 4.16Å; F266-Y321 HydrophobicContact CE2-CD2 4.41Å; F266-Y321 AromaticContact CE2-CE1 3.58Å; F266-Y321 HydrophobicContact CE2-CE1 3.58Å; F266-Y321 AromaticContact CE2-CE2 3.88Å; F266-Y321 HydrophobicContact CE2-CE2 3.88Å; F266-Y321 AromaticContact CE2-CZ 3.42Å; F266-Y321 VanDerWaalsContact CE2-CZ 3.42Å; F266-Y321 HydrophobicContact CZ-CD1 4.32Å; F266-Y321 AromaticContact CZ-CE1 3.74Å; F266-Y321 HydrophobicContact CZ-CE1 3.74Å; F266-V335 HydrophobicContact CE1-CB 4.43Å; F266-V335 HydrophobicContact CZ-CB 4.34Å; F266-V335 HydrophobicContact CZ-CG1 4.01Å
267	L	90.4	Very high	91.7	Very high	38 Å²	38	32.3 Å²	32.3	20%	0.199	18%	0.182	C	C	.	.	H	α-helix	trans	-58.9	-37.6	178.5	-177.4	64.4	0	0	0	112.1	S265 Y271 T434 P548	S265-L267 PolarHBondContact O-N 2.91Å; L267-Y271 WeakPolarHBondContact O-CB 3.28Å; L267-Y271 PolarHBondContact O-N 3.28Å; L267-T434 HydrophobicContact CD2-CG2 4.4Å; L267-P548 HydrophobicContact CD2-CB 4.43Å
268	A	94.1	Very high	92.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-44.6	175.2	0	0	0	0	0	112	L264 S265 F266 Y271 L272 A546 D549	L264-A268 HydrophobicContact CB-CB 4.23Å; L264-A268 HydrophobicContact CD2-CB 4.29Å; S265-A268 PolarHBondContact O-N 3.05Å; S265-A268 VanDerWaalsContact OG-CB 3.31Å; S265-A268 WeakPolarHBondContact OG-CB 3.35Å; S265-A268 PolarHBondContact OG-N 2.7Å; F266-A268 VanDerWaalsContact C-N 3.28Å; F266-A268 PolarHBondContact O-N 3.42Å; A268-Y271 PolarHBondContact O-N 3.15Å; A268-L272 VanDerWaalsContact O-CG 3.26Å; A268-L272 WeakPolarHBondContact O-CG 3.21Å; A268-L272 PolarHBondContact O-N 2.97Å; A268-A546 HydrophobicContact CB-CB 3.91Å; A268-D549 WeakPolarHBondContact CB-OD2 3.19Å
269	C	95.8	Very high	92.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-46.9	177.2	-168.4	0	0	0	0	111.8	S265 F266 L272 C273 F288 Y290 C297	S265-C269 PolarHBondContact O-N 2.73Å; F266-C269 WeakPolarHBondContact O-CB 3.25Å; F266-C269 PolarHBondContact O-N 3.13Å; F266-C269 VanDerWaalsContact O-N 3.13Å; C269-L272 PolarHBondContact O-N 3.35Å; C269-C273 PolarHBondContact O-N 3.01Å; C269-C273 VanDerWaalsContact O-N 3.11Å; C269-F288 HydrophobicContact CB-CD2 4.43Å; C269-F288 WeakPolarHBondContact SG-CD2 3.42Å; C269-Y290 HydrophobicContact CB-CD2 4.02Å; C269-C297 WeakPolarHBondContact CA-SG 3.42Å; C269-C297 HydrophobicContact CB-CB 3.65Å; C269-C297 WeakPolarHBondContact CB-SG 3.34Å; C269-C297 WeakPolarHBondContact SG-CB 3.39Å; C269-C297 CovalentContact SG-SG 2.03Å; C269-C297 PolarHBondContact SG-SG 3.41Å
270	E	95.1	Very high	91.6	Very high	32 Å²	32	40.4 Å²	40.4	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-48.1	175.3	-168.1	-113.3	116.7	0	0	111.1	Y247 F266 L272 C273 T274 F288 V335	Y247-E270 HydrophobicContact CD2-CG 4.23Å; Y247-E270 HydrophobicContact CE2-CG 3.81Å; F266-E270 WeakPolarHBondContact O-CB 3.43Å; F266-E270 PolarHBondContact O-N 3.18Å; E270-L272 PolarHBondContact O-N 3.06Å; E270-C273 PolarHBondContact O-N 2.8Å; E270-T274 VanDerWaalsContact O-CB 3.27Å; E270-T274 WeakPolarHBondContact O-CB 3.48Å; E270-T274 PolarHBondContact O-N 2.82Å; E270-T274 PolarHBondContact O-OG1 2.86Å; E270-T274 VanDerWaalsContact O-OG1 3.06Å; E270-T274 PolarHBondContact OE1-OG1 2.97Å; E270-T274 VanDerWaalsContact OE1-OG1 3.11Å; E270-F288 HydrophobicContact CB-CE1 4.01Å; E270-F288 HydrophobicContact CB-CZ 3.82Å; E270-F288 HydrophobicContact CG-CE1 3.93Å; E270-F288 HydrophobicContact CG-CZ 4.03Å; E270-V335 HydrophobicContact CG-CG1 4.27Å; E270-V335 HydrophobicContact CG-CG2 4.36Å
271	Y	94.6	Very high	91.2	Very high	15 Å²	15	36.6 Å²	36.6	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-57.2	-48.8	178.1	-176.6	-84.1	0	0	0	112.3	L267 A268 C273 T274 H275 I277 A546 L547 P548	L267-Y271 WeakPolarHBondContact O-CB 3.28Å; L267-Y271 PolarHBondContact O-N 3.28Å; A268-Y271 PolarHBondContact O-N 3.15Å; Y271-C273 PolarHBondContact O-N 3.1Å; Y271-T274 PolarHBondContact O-N 2.86Å; Y271-H275 AromaticContact CD1-ND1 3.87Å; Y271-H275 AromaticContact CD2-CE1 3.36Å; Y271-H275 WeakPolarHBondContact CD2-CE1 3.41Å; Y271-H275 AromaticContact CD2-ND1 3.43Å; Y271-H275 WeakPolarHBondContact CD2-ND1 3.39Å; Y271-H275 HydrophobicContact CE1-CB 4.09Å; Y271-H275 AromaticContact CE1-CG 3.78Å; Y271-H275 AromaticContact CE1-ND1 3.77Å; Y271-H275 AromaticContact CE2-CD2 3.92Å; Y271-H275 AromaticContact CE2-CE1 3.07Å; Y271-H275 WeakPolarHBondContact CE2-CE1 3.34Å; Y271-H275 AromaticContact CE2-CG 3.86Å; Y271-H275 AromaticContact CE2-ND1 3.32Å; Y271-H275 VanDerWaalsContact CE2-ND1 3.32Å; Y271-H275 WeakPolarHBondContact CE2-ND1 3.33Å; Y271-H275 AromaticContact CE2-NE2 3.46Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.45Å; Y271-H275 AromaticContact CG-ND1 3.68Å; Y271-H275 AromaticContact CZ-CD2 3.64Å; Y271-H275 AromaticContact CZ-CE1 3.57Å; Y271-H275 AromaticContact CZ-CG 3.51Å; Y271-H275 AromaticContact CZ-ND1 3.45Å; Y271-H275 AromaticContact CZ-NE2 3.69Å; Y271-H275 WeakPolarHBondContact O-CB 3.16Å; Y271-H275 PolarHBondContact O-N 2.95Å; Y271-H275 PolarHBondContact O-ND1 2.86Å; Y271-H275 PolarHBondContact OH-CD2 3.27Å; Y271-I277 HydrophobicContact CD1-CD1 4.4Å; Y271-I277 HydrophobicContact CE1-CD1 3.81Å; Y271-A546 HydrophobicContact CD1-CB 3.59Å; Y271-A546 HydrophobicContact CE1-CB 4.46Å; Y271-A546 HydrophobicContact CG-CB 3.86Å; Y271-L547 HydrophobicContact CE1-CB 3.83Å; Y271-L547 HydrophobicContact CE2-CB 3.93Å; Y271-L547 WeakPolarHBondContact OH-CB 3.4Å; Y271-P548 HydrophobicContact CD2-CG 3.94Å; Y271-P548 HydrophobicContact CE2-CG 4.36Å; Y271-P548 HydrophobicContact CG-CG 4.48Å
272	L	95.8	Very high	90.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-43.2	-179.7	-67.4	175.4	0	0	0	111.4	L261 L264 A268 C269 E270 R276 I277 L299 P544	L261-L272 HydrophobicContact CD1-CD1 3.74Å; L264-L272 HydrophobicContact CD1-CD1 3.6Å; A268-L272 VanDerWaalsContact O-CG 3.26Å; A268-L272 WeakPolarHBondContact O-CG 3.21Å; A268-L272 PolarHBondContact O-N 2.97Å; C269-L272 PolarHBondContact O-N 3.35Å; E270-L272 PolarHBondContact O-N 3.06Å; L272-R276 PolarHBondContact O-N 3.12Å; L272-I277 HydrophobicContact CB-CB 4.47Å; L272-I277 HydrophobicContact CD2-CB 3.7Å; L272-I277 HydrophobicContact CD2-CD1 4.15Å; L272-I277 HydrophobicContact CD2-CG1 4.5Å; L272-I277 HydrophobicContact CD2-CG2 3.52Å; L272-I277 PolarHBondContact O-N 2.03Å; L272-L299 HydrophobicContact CB-CD1 4.14Å; L272-P544 HydrophobicContact CD1-CB 4.2Å; L272-P544 HydrophobicContact CD1-CG 4Å; L272-P544 HydrophobicContact CD2-CB 4Å
273	C	95.6	Very high	90.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-50.9	175.1	-169.5	0	0	0	0	111.7	Y247 C269 E270 Y271 H275 R276 C285 F288 L299 K323	Y247-C273 WeakPolarHBondContact OH-CB 3.4Å; Y247-C273 PolarHBondContact OH-SG 2.89Å; C269-C273 PolarHBondContact O-N 3.01Å; C269-C273 VanDerWaalsContact O-N 3.11Å; E270-C273 PolarHBondContact O-N 2.8Å; Y271-C273 PolarHBondContact O-N 3.1Å; C273-H275 VanDerWaalsContact C-N 3.31Å; C273-H275 PolarHBondContact O-N 2.85Å; C273-R276 PolarHBondContact O-N 2.84Å; C273-C285 WeakPolarHBondContact CA-SG 3.31Å; C273-C285 HydrophobicContact CB-CB 3.98Å; C273-C285 WeakPolarHBondContact CB-SG 3.09Å; C273-C285 WeakPolarHBondContact SG-CB 3.38Å; C273-C285 CovalentContact SG-SG 2.04Å; C273-C285 PolarHBondContact SG-SG 2.98Å; C273-F288 HydrophobicContact CB-CB 4.28Å; C273-F288 HydrophobicContact CB-CD1 3.84Å; C273-F288 HydrophobicContact CB-CG 4.41Å; C273-L299 HydrophobicContact CB-CD2 3.88Å; C273-K323 VanDerWaalsContact O-CE 3.29Å; C273-K323 WeakPolarHBondContact O-CE 3.04Å; C273-K323 PolarHBondContact O-NZ 2.88Å
274	T	93.8	Very high	90.9	Very high	15 Å²	15	31.6 Å²	31.6	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-55	-45.6	-179.9	-70.2	0	0	0	0	111.3	Y247 E270 Y271 R276 L496	Y247-T274 WeakPolarHBondContact CE2-OG1 3.42Å; Y247-T274 PolarHBondContact OH-N 3.01Å; Y247-T274 PolarHBondContact OH-OG1 2.84Å; E270-T274 VanDerWaalsContact O-CB 3.27Å; E270-T274 WeakPolarHBondContact O-CB 3.48Å; E270-T274 PolarHBondContact O-N 2.82Å; E270-T274 PolarHBondContact O-OG1 2.86Å; E270-T274 VanDerWaalsContact O-OG1 3.06Å; E270-T274 PolarHBondContact OE1-OG1 2.97Å; E270-T274 VanDerWaalsContact OE1-OG1 3.11Å; Y271-T274 PolarHBondContact O-N 2.86Å; T274-R276 PolarHBondContact O-N 2.91Å; T274-L496 HydrophobicContact CG2-CD1 3.56Å
275	H	91.9	Very high	91	Very high	42 Å²	42	30.1 Å²	30.1	19%	0.194	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	6.4	-175.4	-64.6	76.1	0	0	0	114.5	Y271 C273 I277	Y271-H275 AromaticContact CD1-ND1 3.87Å; Y271-H275 AromaticContact CD2-CE1 3.36Å; Y271-H275 WeakPolarHBondContact CD2-CE1 3.41Å; Y271-H275 AromaticContact CD2-ND1 3.43Å; Y271-H275 WeakPolarHBondContact CD2-ND1 3.39Å; Y271-H275 HydrophobicContact CE1-CB 4.09Å; Y271-H275 AromaticContact CE1-CG 3.78Å; Y271-H275 AromaticContact CE1-ND1 3.77Å; Y271-H275 AromaticContact CE2-CD2 3.92Å; Y271-H275 AromaticContact CE2-CE1 3.07Å; Y271-H275 WeakPolarHBondContact CE2-CE1 3.34Å; Y271-H275 AromaticContact CE2-CG 3.86Å; Y271-H275 AromaticContact CE2-ND1 3.32Å; Y271-H275 VanDerWaalsContact CE2-ND1 3.32Å; Y271-H275 WeakPolarHBondContact CE2-ND1 3.33Å; Y271-H275 AromaticContact CE2-NE2 3.46Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.45Å; Y271-H275 AromaticContact CG-ND1 3.68Å; Y271-H275 AromaticContact CZ-CD2 3.64Å; Y271-H275 AromaticContact CZ-CE1 3.57Å; Y271-H275 AromaticContact CZ-CG 3.51Å; Y271-H275 AromaticContact CZ-ND1 3.45Å; Y271-H275 AromaticContact CZ-NE2 3.69Å; Y271-H275 WeakPolarHBondContact O-CB 3.16Å; Y271-H275 PolarHBondContact O-N 2.95Å; Y271-H275 PolarHBondContact O-ND1 2.86Å; Y271-H275 PolarHBondContact OH-CD2 3.27Å; C273-H275 VanDerWaalsContact C-N 3.31Å; C273-H275 PolarHBondContact O-N 2.85Å; H275-I277 HydrophobicContact CB-CD1 3.99Å; H275-I277 HydrophobicContact CB-CG1 4.03Å; H275-I277 PolarHBondContact O-N 2.84Å
276	R	93.2	Very high	91.1	Very high	55 Å²	55	28.6 Å²	28.6	21%	0.208	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	42.8	-179.8	-59.3	170.8	165.5	-92.7	10	113.1	S238 L272 C273 T274 S282 Y283 N284	S238-R276 PolarHBondContact OG-NH2 3.28Å; L272-R276 PolarHBondContact O-N 3.12Å; C273-R276 PolarHBondContact O-N 2.84Å; T274-R276 PolarHBondContact O-N 2.91Å; R276-S282 WeakPolarHBondContact CB-OG 3.31Å; R276-S282 CarbonylContact O-C 3.59Å; R276-S282 WeakPolarHBondContact O-CA 3.05Å; R276-S282 WeakPolarHBondContact O-CB 3.45Å; R276-S282 PolarHBondContact O-OG 2.91Å; R276-Y283 CarbonylContact C-O 3.54Å; R276-Y283 WeakPolarHBondContact CA-O 3.45Å; R276-Y283 VanDerWaalsContact CB-O 3.22Å; R276-Y283 WeakPolarHBondContact CB-O 3Å; R276-Y283 PolarHBondContact O-N 2.99Å; R276-N284 PolarHBondContact NH1-OD1 2.91Å
277	I	93	Very high	91.2	Very high	3 Å²	3	26 Å²	26	2%	0.015	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-96.7	135.5	-178.5	-61.1	179.2	0	0	0	110.5	Y271 L272 H275 P544 Y565 E568	Y271-I277 HydrophobicContact CD1-CD1 4.4Å; Y271-I277 HydrophobicContact CE1-CD1 3.81Å; L272-I277 HydrophobicContact CB-CB 4.47Å; L272-I277 HydrophobicContact CD2-CB 3.7Å; L272-I277 HydrophobicContact CD2-CD1 4.15Å; L272-I277 HydrophobicContact CD2-CG1 4.5Å; L272-I277 HydrophobicContact CD2-CG2 3.52Å; L272-I277 PolarHBondContact O-N 2.03Å; H275-I277 HydrophobicContact CB-CD1 3.99Å; H275-I277 HydrophobicContact CB-CG1 4.03Å; H275-I277 PolarHBondContact O-N 2.84Å; I277-P544 HydrophobicContact CG2-CB 4.26Å; I277-Y565 HydrophobicContact CD1-CE1 4.28Å; I277-Y565 VanDerWaalsContact CD1-OH 3.32Å; I277-Y565 WeakPolarHBondContact CD1-OH 3.21Å; I277-E568 WeakPolarHBondContact CA-O 3.13Å; I277-E568 WeakPolarHBondContact CG2-O 3.36Å
278	G	88.4	Confident	91.5	Very high	8 Å²	8	24.2 Å²	24.2	8%	0.082	11%	0.113	C	C	.	.			trans	-130.6	-169.8	-178.6	0	0	0	0	0	113.9	G281 E568 I569	G278-G281 CarbonylContact C-O 3.45Å; G278-G281 WeakPolarHBondContact CA-O 3.49Å; G278-G281 PolarHBondContact N-O 2.83Å; G278-E568 PolarHBondContact N-O 2.98Å; G278-I569 WeakPolarHBondContact O-CA 3.33Å
279	R	84.6	Confident	91.6	Very high	149 Å²	149	24.2 Å²	24.2	56%	0.562	11%	0.113	S	C	*	.	S	Bend	trans	-86	-32.8	174.1	-76.3	-174.2	175.9	152.8	5.6	113.7	K260 L261	K260-R279 PolarHBondContact O-NH2 3.33Å; L261-R279 HydrophobicContact CD2-CG 4.26Å
280	E	78.4	Confident	91.6	Very high	111 Å²	111	25.2 Å²	25.2	52%	0.519	12%	0.117	S	C	.	.	S	Bend	trans	-118.1	21.9	-168.7	-58.2	-173.6	146.2	0	0	112.5	Y90	Y90-E280 WeakPolarHBondContact CB-OE2 2.97Å; Y90-E280 HydrophobicContact CD2-CB 4.34Å; Y90-E280 WeakPolarHBondContact CD2-OE2 3.37Å; Y90-E280 HydrophobicContact CE2-CB 4.46Å
281	G	83.1	Confident	91.7	Very high	10 Å²	10	24.7 Å²	24.7	10%	0.103	12%	0.115	C	C	.	.	S	Bend	trans	124	-170.3	-168.8	0	0	0	0	0	110.4	G278 E568 I569	G278-G281 CarbonylContact C-O 3.45Å; G278-G281 WeakPolarHBondContact CA-O 3.49Å; G278-G281 PolarHBondContact N-O 2.83Å; G281-E568 CarbonylContact C-O 3.49Å; G281-E568 VanDerWaalsContact C-O 3.31Å; G281-E568 VanDerWaalsContact O-O 3.13Å; G281-I569 VanDerWaalsContact N-CG2 3.28Å
282	S	85.4	Confident	91.5	Very high	35 Å²	35	31.8 Å²	31.8	25%	0.245	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-55.2	152.6	175.9	-175.5	0	0	0	0	112.1	S149 R276	S149-S282 WeakPolarHBondContact CB-O 3.41Å; S149-S282 PolarHBondContact OG-O 2.77Å; R276-S282 WeakPolarHBondContact CB-OG 3.31Å; R276-S282 CarbonylContact O-C 3.59Å; R276-S282 WeakPolarHBondContact O-CA 3.05Å; R276-S282 WeakPolarHBondContact O-CB 3.45Å; R276-S282 PolarHBondContact O-OG 2.91Å
283	Y	89.2	Confident	91.4	Very high	14 Å²	14	36.7 Å²	36.7	6%	0.055	19%	0.189	C	C	.	.			trans	-128	131.2	179.6	-173.5	-110.3	0	0	0	111.6	E86 V259 R276 C285 L299 S300 D301	E86-Y283 HydrophobicContact CG-CE2 4.21Å; V259-Y283 HydrophobicContact CG2-CE2 3.98Å; R276-Y283 CarbonylContact C-O 3.54Å; R276-Y283 WeakPolarHBondContact CA-O 3.45Å; R276-Y283 VanDerWaalsContact CB-O 3.22Å; R276-Y283 WeakPolarHBondContact CB-O 3Å; R276-Y283 PolarHBondContact O-N 2.99Å; Y283-C285 HydrophobicContact CD1-CB 3.83Å; Y283-C285 HydrophobicContact CE1-CB 4.17Å; Y283-C285 PolarHBondContact O-N 3.39Å; Y283-L299 HydrophobicContact CD1-CB 3.96Å; Y283-L299 HydrophobicContact CD1-CD1 4.41Å; Y283-L299 HydrophobicContact CE1-CB 3.63Å; Y283-L299 PolarHBondContact OH-O 3.42Å; Y283-S300 VanDerWaalsContact OH-CA 3.32Å; Y283-S300 WeakPolarHBondContact OH-CA 3.38Å; Y283-D301 PolarHBondContact OH-N 3.47Å
284	N	91	Very high	91.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.			trans	-75.8	43.5	-175.2	-166.1	59.1	0	0	0	114.3	C148 S149 N233 A237 R276 K286 D301	C148-N284 HydrophobicContact CB-CB 4.26Å; S149-N284 VanDerWaalsContact O-CB 3.32Å; S149-N284 WeakPolarHBondContact O-CB 3.45Å; S149-N284 PolarHBondContact O-N 3.48Å; S149-N284 VanDerWaalsContact O-N 3.07Å; N233-N284 PolarHBondContact O-ND2 3.04Å; A237-N284 WeakPolarHBondContact CB-OD1 3Å; R276-N284 PolarHBondContact NH1-OD1 2.91Å; N284-K286 PolarHBondContact O-N 3.4Å; N284-D301 HydrophobicContact CB-CB 4.25Å; N284-D301 WeakPolarHBondContact O-CA 3.44Å; N284-D301 WeakPolarHBondContact O-CB 3.44Å
285	C	93.2	Very high	91.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.			trans	-55.3	125.8	-172.4	-160.1	0	0	0	0	112.8	A237 C273 Y283 S287 S300 K323	A237-C285 WeakPolarHBondContact CB-O 3.11Å; C273-C285 WeakPolarHBondContact CA-SG 3.31Å; C273-C285 HydrophobicContact CB-CB 3.98Å; C273-C285 WeakPolarHBondContact CB-SG 3.09Å; C273-C285 WeakPolarHBondContact SG-CB 3.38Å; C273-C285 CovalentContact SG-SG 2.04Å; C273-C285 PolarHBondContact SG-SG 2.98Å; Y283-C285 HydrophobicContact CD1-CB 3.83Å; Y283-C285 HydrophobicContact CE1-CB 4.17Å; Y283-C285 PolarHBondContact O-N 3.39Å; C285-S287 PolarHBondContact SG-O 3.09Å; C285-S300 CarbonylContact C-O 3.59Å; C285-S300 WeakPolarHBondContact CA-O 3.28Å; C285-K323 WeakPolarHBondContact O-CD 3.15Å; C285-K323 WeakPolarHBondContact O-CE 3.39Å; C285-K323 PolarHBondContact O-NZ 3.39Å
286	K	93.5	Very high	91.3	Very high	19 Å²	19	37.9 Å²	37.9	8%	0.083	21%	0.205	C	C	.	.	S	Bend	trans	-112.3	-28.2	171.2	-64.4	-173.7	-159.5	160.9	0	112.4	N233 A235 A237 N284 S300 D301 R303 K323	N233-K286 WeakPolarHBondContact O-CE 3.38Å; N233-K286 PolarHBondContact O-NZ 2.76Å; N233-K286 PolarHBondContact OD1-NZ 2.77Å; A235-K286 VanDerWaalsContact O-CE 3.28Å; A235-K286 WeakPolarHBondContact O-CE 3.05Å; A237-K286 HydrophobicContact CB-CG 4Å; N284-K286 PolarHBondContact O-N 3.4Å; K286-S300 PolarHBondContact N-O 2.94Å; K286-D301 WeakPolarHBondContact CD-O 3.33Å; K286-D301 WeakPolarHBondContact CE-O 3.38Å; K286-D301 WeakPolarHBondContact CG-O 3.26Å; K286-D301 PolarHBondContact NZ-O 2.71Å; K286-R303 HydrophobicContact CB-CG 4.09Å; K286-R303 HydrophobicContact CD-CG 4.32Å; K286-K323 VanDerWaalsContact O-CB 3.28Å; K286-K323 WeakPolarHBondContact O-CB 3.47Å; K286-K323 WeakPolarHBondContact O-CG 3.48Å; K286-K323 PolarHBondContact O-N 3.33Å
287	S	95.1	Very high	91.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.6	176	59.2	0	0	0	0	111	C285 S300 D302 Y320 Y321	C285-S287 PolarHBondContact SG-O 3.09Å; S287-S300 PolarHBondContact N-O 2.88Å; S287-S300 VanDerWaalsContact N-O 3.13Å; S287-S300 PolarHBondContact O-N 3.07Å; S287-D302 PolarHBondContact OG-O 3.17Å; S287-Y320 VanDerWaalsContact CB-CE2 3.42Å; S287-Y320 VanDerWaalsContact CB-OH 3.3Å; S287-Y320 WeakPolarHBondContact CB-OH 3.24Å; S287-Y321 CarbonylContact C-O 3.49Å; S287-Y321 WeakPolarHBondContact CA-O 3.46Å; S287-Y321 WeakPolarHBondContact CB-O 3.46Å
288	F	95.9	Very high	91.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	157.3	167.4	71.8	-94.4	0	0	0	110.7	Y247 F266 C269 E270 C273 I298 L299 Y321	Y247-F288 HydrophobicContact CD1-CD1 4.11Å; Y247-F288 AromaticContact CD1-CE1 3.75Å; Y247-F288 HydrophobicContact CD1-CE1 3.75Å; Y247-F288 HydrophobicContact CD2-CE1 4.35Å; Y247-F288 AromaticContact CE1-CD1 3.53Å; Y247-F288 HydrophobicContact CE1-CD1 3.53Å; Y247-F288 AromaticContact CE1-CE1 3.45Å; Y247-F288 HydrophobicContact CE1-CE1 3.45Å; Y247-F288 VanDerWaalsContact CE1-CE1 3.45Å; Y247-F288 HydrophobicContact CE2-CE1 4.12Å; Y247-F288 HydrophobicContact CG-CE1 4.2Å; Y247-F288 AromaticContact CZ-CD1 3.96Å; Y247-F288 AromaticContact CZ-CE1 3.67Å; F266-F288 HydrophobicContact CD2-CE2 4.18Å; F266-F288 HydrophobicContact CD2-CZ 4.43Å; F266-F288 AromaticContact CE2-CE2 3.72Å; F266-F288 HydrophobicContact CE2-CE2 3.72Å; F266-F288 AromaticContact CE2-CZ 3.66Å; F266-F288 HydrophobicContact CE2-CZ 3.66Å; F266-F288 HydrophobicContact CZ-CZ 4.18Å; C269-F288 HydrophobicContact CB-CD2 4.43Å; C269-F288 WeakPolarHBondContact SG-CD2 3.42Å; E270-F288 HydrophobicContact CB-CE1 4.01Å; E270-F288 HydrophobicContact CB-CZ 3.82Å; E270-F288 HydrophobicContact CG-CE1 3.93Å; E270-F288 HydrophobicContact CG-CZ 4.03Å; C273-F288 HydrophobicContact CB-CB 4.28Å; C273-F288 HydrophobicContact CB-CD1 3.84Å; C273-F288 HydrophobicContact CB-CG 4.41Å; F288-I298 CarbonylContact C-O 3.55Å; F288-I298 VanDerWaalsContact CA-O 3.23Å; F288-I298 WeakPolarHBondContact CA-O 3.38Å; F288-I298 WeakPolarHBondContact CB-O 3.37Å; F288-L299 HydrophobicContact CB-CD2 3.9Å; F288-Y321 AromaticContact CD2-CD2 3.98Å; F288-Y321 HydrophobicContact CD2-CD2 3.98Å; F288-Y321 HydrophobicContact CD2-CG 4.3Å; F288-Y321 HydrophobicContact CE1-CG 4.11Å; F288-Y321 HydrophobicContact CE2-CD1 4.4Å; F288-Y321 AromaticContact CE2-CD2 3.47Å; F288-Y321 HydrophobicContact CE2-CD2 3.47Å; F288-Y321 VanDerWaalsContact CE2-CD2 3.47Å; F288-Y321 HydrophobicContact CE2-CE2 4.07Å; F288-Y321 AromaticContact CE2-CG 3.67Å; F288-Y321 HydrophobicContact CE2-CG 3.67Å; F288-Y321 AromaticContact CZ-CD1 3.99Å; F288-Y321 HydrophobicContact CZ-CD1 3.99Å; F288-Y321 AromaticContact CZ-CD2 3.89Å; F288-Y321 HydrophobicContact CZ-CD2 3.89Å; F288-Y321 AromaticContact CZ-CG 3.56Å; F288-Y321 HydrophobicContact CZ-CG 3.56Å; F288-Y321 PolarHBondContact N-O 2.9Å; F288-Y321 PolarHBondContact O-N 2.94Å
289	M	96.6	Very high	91.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.1	172.4	-64	69.9	64	0	0	108.3	K254 I255 C297 I298 F318 D319 Y320	K254-M289 HydrophobicContact CB-CB 4.49Å; K254-M289 HydrophobicContact CB-CG 3.88Å; I255-M289 HydrophobicContact CD1-CE 4.43Å; I255-M289 HydrophobicContact CD1-SD 4.29Å; I255-M289 HydrophobicContact CG1-CE 3.64Å; I255-M289 HydrophobicContact CG1-SD 3.58Å; I255-M289 VanDerWaalsContact CG1-SD 3.58Å; M289-C297 CarbonylContact O-C 3.4Å; M289-I298 HydrophobicContact CB-CB 4.32Å; M289-I298 HydrophobicContact CE-CB 3.8Å; M289-I298 HydrophobicContact CE-CG2 3.57Å; M289-I298 PolarHBondContact N-O 2.97Å; M289-I298 PolarHBondContact O-N 3.03Å; M289-F318 HydrophobicContact CB-CD1 4.14Å; M289-D319 CarbonylContact C-O 3.54Å; M289-D319 VanDerWaalsContact CA-O 3.27Å; M289-D319 WeakPolarHBondContact CA-O 3.29Å; M289-Y320 HydrophobicContact CG-CD2 3.94Å; M289-Y320 HydrophobicContact SD-CD2 3.63Å; M289-Y320 HydrophobicContact SD-CE2 4.08Å
290	Y	97.1	Very high	92.2	Very high	22 Å²	22	28.8 Å²	28.8	9%	0.086	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.4	-179.7	-176.1	-106.6	0	0	0	110.8	L264 F266 C269 E292 C297 F318 D319	L264-Y290 PolarHBondContact O-OH 2.79Å; F266-Y290 HydrophobicContact CB-CD1 4.04Å; F266-Y290 HydrophobicContact CB-CE1 3.66Å; F266-Y290 HydrophobicContact CB-CE2 4.49Å; F266-Y290 AromaticContact CD2-CD1 3.82Å; F266-Y290 HydrophobicContact CD2-CD1 3.82Å; F266-Y290 HydrophobicContact CD2-CE1 4.33Å; F266-Y290 HydrophobicContact CD2-CG 4.1Å; F266-Y290 HydrophobicContact CG-CD1 4.4Å; F266-Y290 HydrophobicContact CG-CE1 4.47Å; F266-Y290 VanDerWaalsContact N-CZ 3.29Å; F266-Y290 PolarHBondContact N-OH 3.4Å; C269-Y290 HydrophobicContact CB-CD2 4.02Å; Y290-E292 HydrophobicContact CD1-CB 4.37Å; Y290-E292 VanDerWaalsContact CE1-CA 3.42Å; Y290-E292 HydrophobicContact CE1-CB 3.76Å; Y290-E292 HydrophobicContact CE1-CG 4.22Å; Y290-C297 HydrophobicContact CD2-CB 4.43Å; Y290-F318 WeakPolarHBondContact O-CA 3.4Å; Y290-D319 PolarHBondContact N-O 3.26Å; Y290-D319 PolarHBondContact O-N 2.74Å
291	N	96	Very high	92.8	Very high	20 Å²	20	23.8 Å²	23.8	11%	0.107	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	107.2	171.8	175.6	-56.5	0	0	0	108.7	A293 S294 G295 S296 G317 F318	N291-A293 PolarHBondContact OD1-N 3.33Å; N291-S294 PolarHBondContact O-N 3.08Å; N291-S294 PolarHBondContact O-OG 3.38Å; N291-S294 WeakPolarHBondContact OD1-CB 3.48Å; N291-S294 PolarHBondContact OD1-N 3.34Å; N291-S294 PolarHBondContact OD1-OG 2.88Å; N291-G295 PolarHBondContact O-N 3.11Å; N291-S296 PolarHBondContact N-O 3.12Å; N291-S296 PolarHBondContact O-N 2.64Å; N291-G317 VanDerWaalsContact CA-O 3.25Å; N291-G317 WeakPolarHBondContact CA-O 3.4Å; N291-G317 VanDerWaalsContact CB-O 3.26Å; N291-G317 WeakPolarHBondContact CB-O 3.36Å; N291-G317 VanDerWaalsContact ND2-C 3.35Å; N291-G317 PolarHBondContact ND2-O 3.45Å; N291-F318 HydrophobicContact CB-CD1 3.64Å; N291-F318 HydrophobicContact CB-CD2 3.94Å; N291-F318 HydrophobicContact CB-CE1 3.53Å; N291-F318 HydrophobicContact CB-CE2 3.83Å; N291-F318 HydrophobicContact CB-CG 3.85Å; N291-F318 HydrophobicContact CB-CZ 3.62Å
292	E	91.9	Very high	93.1	Very high	164 Å²	164	23.6 Å²	23.6	77%	0.766	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-63.7	-44.1	-173.3	-174.1	175.1	-156	0	0	112.6	Y290 S294 G295	Y290-E292 HydrophobicContact CD1-CB 4.37Å; Y290-E292 VanDerWaalsContact CE1-CA 3.42Å; Y290-E292 HydrophobicContact CE1-CB 3.76Å; Y290-E292 HydrophobicContact CE1-CG 4.22Å; E292-S294 PolarHBondContact O-N 3Å; E292-G295 PolarHBondContact O-N 2.7Å
293	A	92.4	Very high	93.4	Very high	104 Å²	104	23.6 Å²	23.6	86%	0.86	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-63.9	-13.4	-178.3	0	0	0	0	0	114.4	N291	N291-A293 PolarHBondContact OD1-N 3.33Å
294	S	93.2	Very high	93.5	Very high	67 Å²	67	23 Å²	23	47%	0.469	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-124.7	-5.7	178.6	61	0	0	0	0	114.9	N291 E292 S296	N291-S294 PolarHBondContact O-N 3.08Å; N291-S294 PolarHBondContact O-OG 3.38Å; N291-S294 WeakPolarHBondContact OD1-CB 3.48Å; N291-S294 PolarHBondContact OD1-N 3.34Å; N291-S294 PolarHBondContact OD1-OG 2.88Å; E292-S294 PolarHBondContact O-N 3Å; S294-S296 PolarHBondContact O-N 3.06Å; S294-S296 VanDerWaalsContact OG-CB 3.27Å; S294-S296 WeakPolarHBondContact OG-CB 3.39Å
295	G	91.9	Very high	93.3	Very high	12 Å²	12	27 Å²	27	12%	0.124	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	29.4	-171.2	0	0	0	0	0	113	G263 L264 N291 E292	G263-G295 PolarHBondContact N-O 3.04Å; L264-G295 PolarHBondContact N-O 2.84Å; L264-G295 WeakPolarHBondContact O-CA 3.25Å; N291-G295 PolarHBondContact O-N 3.11Å; E292-G295 PolarHBondContact O-N 2.7Å
296	S	95.2	Very high	92.8	Very high	3 Å²	3	28 Å²	28	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	106.1	-177.6	167.8	0	0	0	0	110	K260 N291 S294 F318	K260-S296 WeakPolarHBondContact CE-OG 3.28Å; N291-S296 PolarHBondContact N-O 3.12Å; N291-S296 PolarHBondContact O-N 2.64Å; S294-S296 PolarHBondContact O-N 3.06Å; S294-S296 VanDerWaalsContact OG-CB 3.27Å; S294-S296 WeakPolarHBondContact OG-CB 3.39Å; S296-F318 WeakPolarHBondContact OG-CZ 3.24Å
297	C	95.8	Very high	92.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.2	171.4	178.2	0	0	0	0	110.3	K260 L261 L264 C269 M289 Y290	K260-C297 WeakPolarHBondContact CA-O 3.49Å; L261-C297 HydrophobicContact CB-CB 4.19Å; L261-C297 PolarHBondContact N-O 3.27Å; L261-C297 PolarHBondContact O-N 2.79Å; L261-C297 VanDerWaalsContact O-O 3.11Å; L264-C297 HydrophobicContact CB-CB 4.33Å; L264-C297 HydrophobicContact CD1-CB 4.07Å; C269-C297 WeakPolarHBondContact CA-SG 3.42Å; C269-C297 HydrophobicContact CB-CB 3.65Å; C269-C297 WeakPolarHBondContact CB-SG 3.34Å; C269-C297 WeakPolarHBondContact SG-CB 3.39Å; C269-C297 CovalentContact SG-SG 2.03Å; C269-C297 PolarHBondContact SG-SG 3.41Å; M289-C297 CarbonylContact O-C 3.4Å; Y290-C297 HydrophobicContact CD2-CB 4.43Å
298	I	94.7	Very high	91.7	Very high	22 Å²	22	28.8 Å²	28.8	11%	0.113	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	118.6	169.7	-51	174.8	0	0	0	107.6	V259 K260 F288 M289 F318	V259-I298 WeakPolarHBondContact O-CA 3.46Å; K260-I298 HydrophobicContact CB-CG1 4.15Å; K260-I298 HydrophobicContact CD-CG1 4.48Å; K260-I298 HydrophobicContact CG-CG1 4.12Å; F288-I298 CarbonylContact C-O 3.55Å; F288-I298 VanDerWaalsContact CA-O 3.23Å; F288-I298 WeakPolarHBondContact CA-O 3.38Å; F288-I298 WeakPolarHBondContact CB-O 3.37Å; M289-I298 HydrophobicContact CB-CB 4.32Å; M289-I298 HydrophobicContact CE-CB 3.8Å; M289-I298 HydrophobicContact CE-CG2 3.57Å; M289-I298 PolarHBondContact N-O 2.97Å; M289-I298 PolarHBondContact O-N 3.03Å; I298-F318 HydrophobicContact CD1-CE1 3.82Å; I298-F318 HydrophobicContact CD1-CZ 4.24Å; I298-F318 HydrophobicContact CG1-CE1 4.24Å
299	L	94.2	Very high	91.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	140.6	177.7	-55.1	-177.5	0	0	0	109.9	G258 V259 L261 L272 C273 Y283 F288	G258-L299 CarbonylContact C-O 3.58Å; G258-L299 WeakPolarHBondContact CA-O 3.37Å; V259-L299 PolarHBondContact N-O 3.12Å; V259-L299 PolarHBondContact O-N 2.85Å; L261-L299 HydrophobicContact CD1-CD1 3.81Å; L261-L299 HydrophobicContact CD1-CG 4.12Å; L272-L299 HydrophobicContact CB-CD1 4.14Å; C273-L299 HydrophobicContact CB-CD2 3.88Å; Y283-L299 HydrophobicContact CD1-CB 3.96Å; Y283-L299 HydrophobicContact CD1-CD1 4.41Å; Y283-L299 HydrophobicContact CE1-CB 3.63Å; Y283-L299 PolarHBondContact OH-O 3.42Å; F288-L299 HydrophobicContact CB-CD2 3.9Å
300	S	92.7	Very high	90.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.8	178.3	-163.2	0	0	0	0	112.9	I255 Q257 Y283 C285 K286 S287	I255-S300 WeakPolarHBondContact CD1-OG 3.46Å; Q257-S300 WeakPolarHBondContact O-CB 3.45Å; Q257-S300 PolarHBondContact O-OG 3.14Å; Y283-S300 VanDerWaalsContact OH-CA 3.32Å; Y283-S300 WeakPolarHBondContact OH-CA 3.38Å; C285-S300 CarbonylContact C-O 3.59Å; C285-S300 WeakPolarHBondContact CA-O 3.28Å; K286-S300 PolarHBondContact N-O 2.94Å; S287-S300 PolarHBondContact N-O 2.88Å; S287-S300 VanDerWaalsContact N-O 3.13Å; S287-S300 PolarHBondContact O-N 3.07Å
301	D	90.9	Very high	90.3	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	20%	0.201	C	C	.	.	S	Bend	trans	-96.2	6	175.4	78.1	-41.6	0	0	0	113.7	S150 N233 Y283 N284 K286	S150-D301 WeakPolarHBondContact CB-OD2 3.05Å; S150-D301 PolarHBondContact OG-OD2 3.35Å; N233-D301 PolarHBondContact ND2-OD2 2.94Å; Y283-D301 PolarHBondContact OH-N 3.47Å; N284-D301 HydrophobicContact CB-CB 4.25Å; N284-D301 WeakPolarHBondContact O-CA 3.44Å; N284-D301 WeakPolarHBondContact O-CB 3.44Å; K286-D301 WeakPolarHBondContact CD-O 3.33Å; K286-D301 WeakPolarHBondContact CE-O 3.38Å; K286-D301 WeakPolarHBondContact CG-O 3.26Å; K286-D301 PolarHBondContact NZ-O 2.71Å
302	D	90.1	Very high	89.8	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.037	22%	0.217	C	C	.	.	S	Bend	trans	-105.3	174.4	174.7	-152.3	-14.8	0	0	0	112.1	I255 S287 R309 S310	I255-D302 HydrophobicContact CD1-CB 4.41Å; S287-D302 PolarHBondContact OG-O 3.17Å; D302-R309 PolarHBondContact OD1-N 2.59Å; D302-R309 IonicContact OD1-NE 3.54Å; D302-R309 PolarHBondContact OD1-NE 3.4Å; D302-R309 IonicContact OD2-CZ 2.71Å; D302-R309 VanDerWaalsContact OD2-CZ 3.29Å; D302-R309 IonicContact OD2-NE 3.51Å; D302-R309 PolarHBondContact OD2-NE 2.97Å; D302-R309 IonicContact OD2-NH2 3.75Å; D302-R309 PolarHBondContact OD2-NH2 2.85Å; D302-S310 PolarHBondContact OD2-OG 3.32Å
303	R	91.4	Very high	89.7	Confident	34 Å²	34	33.3 Å²	33.3	13%	0.128	19%	0.192	C	C	.	.			trans	-124.1	163.5	174.8	-68.9	173.7	176.4	-93.6	-6.1	110.6	G236 K286 G308 R309 S310 Y320 E322 K323	G236-R303 PolarHBondContact O-NH2 3.1Å; K286-R303 HydrophobicContact CB-CG 4.09Å; K286-R303 HydrophobicContact CD-CG 4.32Å; R303-G308 CarbonylContact O-C 3.53Å; R303-G308 WeakPolarHBondContact O-CA 3.3Å; R303-R309 PolarHBondContact O-N 3.41Å; R303-S310 PolarHBondContact O-N 3.3Å; R303-Y320 WeakPolarHBondContact CA-OH 3.42Å; R303-E322 WeakPolarHBondContact CD-OE1 3.48Å; R303-E322 HydrophobicContact CG-CG 4.08Å; R303-E322 WeakPolarHBondContact CG-OE1 3.43Å; R303-E322 IonicContact CZ-OE1 3.82Å; R303-E322 IonicContact NE-OE1 2.7Å; R303-E322 VanDerWaalsContact NH1-CG 3.33Å; R303-E322 IonicContact NH1-OE1 2.79Å; R303-E322 PolarHBondContact NH1-OE1 2.92Å; R303-K323 VanDerWaalsContact CZ-O 3.26Å; R303-K323 PolarHBondContact NH1-O 2.99Å; R303-K323 PolarHBondContact NH2-O 3.36Å
304	L	91.1	Very high	89.5	Confident	3 Å²	3	35 Å²	35	2%	0.016	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-80.4	144.7	-179.4	-172.8	55.7	0	0	0	110.2	I255 M307 G308 S310 V312 Y320 E322 R340	I255-L304 HydrophobicContact CG2-CD1 3.73Å; L304-M307 PolarHBondContact O-N 2.81Å; L304-G308 PolarHBondContact O-N 3.19Å; L304-S310 WeakPolarHBondContact CA-O 3.31Å; L304-S310 WeakPolarHBondContact CD1-O 3.45Å; L304-V312 HydrophobicContact CD1-CB 3.81Å; L304-V312 HydrophobicContact CD1-CG2 4.3Å; L304-Y320 HydrophobicContact CB-CD1 4.34Å; L304-Y320 HydrophobicContact CB-CE1 3.53Å; L304-Y320 HydrophobicContact CB-CE2 4.28Å; L304-Y320 HydrophobicContact CD2-CD1 3.63Å; L304-Y320 HydrophobicContact CD2-CE1 3.66Å; L304-Y320 HydrophobicContact CD2-CG 4.26Å; L304-Y320 HydrophobicContact CG-CE1 4.24Å; L304-Y320 PolarHBondContact N-OH 2.81Å; L304-E322 PolarHBondContact N-OE2 3.23Å; L304-R340 VanDerWaalsContact CD2-NH1 3.31Å
305	E	86.9	Confident	89.4	Confident	84 Å²	84	32.4 Å²	32.4	39%	0.393	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.5	172.7	-78.6	-175.2	176.9	0	0	111	S310 K311 R340	E305-S310 PolarHBondContact N-O 2.94Å; E305-K311 HydrophobicContact CG-CG 4.38Å; E305-K311 WeakPolarHBondContact OE1-CE 3.38Å; E305-K311 WeakPolarHBondContact OE1-CG 3.49Å; E305-K311 WeakPolarHBondContact OE2-CE 3.38Å; E305-R340 PolarHBondContact O-NH1 3.44Å; E305-R340 PolarHBondContact O-NH2 2.81Å
306	P	82.4	Confident	89.2	Confident	19 Å²	19	37.7 Å²	37.7	12%	0.123	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.4	-5.5	4.4	37.4	-36.7	0	0	0	115.4	G308 Y387	P306-G308 VanDerWaalsContact C-N 3.27Å; P306-G308 PolarHBondContact O-N 2.97Å; P306-Y387 HydrophobicContact CB-CE1 4.5Å; P306-Y387 HydrophobicContact CG-CD1 3.61Å; P306-Y387 HydrophobicContact CG-CD2 4.25Å; P306-Y387 HydrophobicContact CG-CE1 3.21Å; P306-Y387 HydrophobicContact CG-CE2 3.89Å; P306-Y387 HydrophobicContact CG-CG 4.11Å
307	M	81.1	Confident	89	Confident	31 Å²	31	39.8 Å²	39.8	15%	0.153	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.3	-176.3	-67.7	-176	65.3	0	0	113.9	L304 V360	L304-M307 PolarHBondContact O-N 2.81Å; M307-V360 HydrophobicContact SD-CB 3.87Å; M307-V360 HydrophobicContact SD-CG1 4.34Å; M307-V360 HydrophobicContact SD-CG2 4.04Å
308	G	85.1	Confident	88.9	Confident	5 Å²	5	41.4 Å²	41.4	5%	0.052	23%	0.231	C	C	.	.	S	Bend	trans	-143.3	-158.6	166	0	0	0	0	0	111.9	R303 L304 P306	R303-G308 CarbonylContact O-C 3.53Å; R303-G308 WeakPolarHBondContact O-CA 3.3Å; L304-G308 PolarHBondContact O-N 3.19Å; P306-G308 VanDerWaalsContact C-N 3.27Å; P306-G308 PolarHBondContact O-N 2.97Å
309	R	85.4	Confident	89	Confident	40 Å²	40	42.2 Å²	42.2	15%	0.151	24%	0.235	C	C	.	.	S	Bend	trans	-105.9	-18.5	-165.7	-45.2	168	-58.2	167.5	10.5	112.9	F152 E155 Y213 D302 R303	F152-R309 VanDerWaalsContact CZ-CZ 3.41Å; E155-R309 WeakPolarHBondContact OE2-CD 3.02Å; E155-R309 IonicContact OE2-CZ 2.87Å; E155-R309 IonicContact OE2-NE 3.69Å; E155-R309 IonicContact OE2-NH1 3.11Å; E155-R309 PolarHBondContact OE2-NH1 2.79Å; Y213-R309 HydrophobicContact CE1-CG 3.84Å; Y213-R309 HydrophobicContact CE2-CG 4.1Å; Y213-R309 WeakPolarHBondContact OH-CG 3.38Å; D302-R309 PolarHBondContact OD1-N 2.59Å; D302-R309 IonicContact OD1-NE 3.54Å; D302-R309 PolarHBondContact OD1-NE 3.4Å; D302-R309 IonicContact OD2-CZ 2.71Å; D302-R309 VanDerWaalsContact OD2-CZ 3.29Å; D302-R309 IonicContact OD2-NE 3.51Å; D302-R309 PolarHBondContact OD2-NE 2.97Å; D302-R309 IonicContact OD2-NH2 3.75Å; D302-R309 PolarHBondContact OD2-NH2 2.85Å; R303-R309 PolarHBondContact O-N 3.41Å
310	S	87.3	Confident	89.1	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.063	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-83.4	125.9	-174.3	-75.6	0	0	0	0	109.6	I255 D302 R303 L304 E305	I255-S310 VanDerWaalsContact CG2-CB 3.49Å; D302-S310 PolarHBondContact OD2-OG 3.32Å; R303-S310 PolarHBondContact O-N 3.3Å; L304-S310 WeakPolarHBondContact CA-O 3.31Å; L304-S310 WeakPolarHBondContact CD1-O 3.45Å; E305-S310 PolarHBondContact N-O 2.94Å
311	K	86.3	Confident	89.3	Confident	138 Å²	138	43 Å²	43	60%	0.6	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-75	148.8	178.9	-69.4	-170.7	170.1	-174	0	111.3	E305 V313	E305-K311 HydrophobicContact CG-CG 4.38Å; E305-K311 WeakPolarHBondContact OE1-CE 3.38Å; E305-K311 WeakPolarHBondContact OE1-CG 3.49Å; E305-K311 WeakPolarHBondContact OE2-CE 3.38Å; K311-V313 PolarHBondContact O-N 2.9Å
312	V	85.8	Confident	89.5	Confident	73 Å²	73	43.2 Å²	43.2	44%	0.442	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-64.5	128.9	174.5	72.6	0	0	0	0	109.8	A253 L304	A253-V312 HydrophobicContact CB-CG2 3.86Å; L304-V312 HydrophobicContact CD1-CB 3.81Å; L304-V312 HydrophobicContact CD1-CG2 4.3Å
313	V	88.8	Confident	89.7	Confident	42 Å²	42	42.9 Å²	42.9	26%	0.255	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.1	170.9	-178	0	0	0	0	107.5	K254 K311 A315	K254-V313 HydrophobicContact CG-CB 3.92Å; K254-V313 HydrophobicContact CG-CG1 4.31Å; K254-V313 PolarHBondContact N-O 3.34Å; K254-V313 PolarHBondContact O-N 3.17Å; K311-V313 PolarHBondContact O-N 2.9Å; V313-A315 PolarHBondContact O-N 2.86Å; V313-A315 VanDerWaalsContact O-N 3.16Å
314	N	89.5	Confident	89.7	Confident	138 Å²	138	41.6 Å²	41.6	74%	0.738	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	117.5	176.6	-65.3	-4.8	0	0	0	108.9
315	A	90.8	Very high	89.6	Confident	13 Å²	13	43.5 Å²	43.5	11%	0.107	25%	0.245	C	C	.	.			trans	-140.9	82.9	-173	0	0	0	0	0	109.6	G252 K254 V313 G317 F318	G252-A315 CarbonylContact C-O 3.59Å; G252-A315 CarbonylContact O-C 3.6Å; G252-A315 PolarHBondContact O-N 2.94Å; K254-A315 HydrophobicContact CB-CB 4.12Å; K254-A315 HydrophobicContact CD-CB 3.6Å; K254-A315 HydrophobicContact CG-CB 3.63Å; V313-A315 PolarHBondContact O-N 2.86Å; V313-A315 VanDerWaalsContact O-N 3.16Å; A315-G317 PolarHBondContact O-N 2.85Å; A315-F318 HydrophobicContact CB-CB 4.1Å; A315-F318 HydrophobicContact CB-CD2 4.43Å; A315-F318 PolarHBondContact O-N 3.33Å
316	P	86.7	Confident	89.8	Confident	124 Å²	124	39.5 Å²	39.5	81%	0.805	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	124.2	-179	-28.8	36.2	0	0	0	112.5
317	G	91.1	Very high	89.9	Confident	46 Å²	46	42.5 Å²	42.5	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-5.6	-176.8	0	0	0	0	0	115.7	N291 A315	N291-G317 VanDerWaalsContact CA-O 3.25Å; N291-G317 WeakPolarHBondContact CA-O 3.4Å; N291-G317 VanDerWaalsContact CB-O 3.26Å; N291-G317 WeakPolarHBondContact CB-O 3.36Å; N291-G317 VanDerWaalsContact ND2-C 3.35Å; N291-G317 PolarHBondContact ND2-O 3.45Å; A315-G317 PolarHBondContact O-N 2.85Å
318	F	95.3	Very high	90.1	Very high	35 Å²	35	41.3 Å²	41.3	15%	0.154	24%	0.24	C	C	.	.			trans	-98.1	138.3	160.1	-83.5	-88.8	0	0	0	109.9	G252 A253 K254 M289 Y290 N291 S296 I298 A315	G252-F318 CarbonylContact C-O 3.36Å; G252-F318 WeakPolarHBondContact CA-O 3.29Å; G252-F318 PolarHBondContact N-O 3.27Å; A253-F318 PolarHBondContact N-O 2.91Å; K254-F318 HydrophobicContact CB-CB 4.36Å; M289-F318 HydrophobicContact CB-CD1 4.14Å; Y290-F318 WeakPolarHBondContact O-CA 3.4Å; N291-F318 HydrophobicContact CB-CD1 3.64Å; N291-F318 HydrophobicContact CB-CD2 3.94Å; N291-F318 HydrophobicContact CB-CE1 3.53Å; N291-F318 HydrophobicContact CB-CE2 3.83Å; N291-F318 HydrophobicContact CB-CG 3.85Å; N291-F318 HydrophobicContact CB-CZ 3.62Å; S296-F318 WeakPolarHBondContact OG-CZ 3.24Å; I298-F318 HydrophobicContact CD1-CE1 3.82Å; I298-F318 HydrophobicContact CD1-CZ 4.24Å; I298-F318 HydrophobicContact CG1-CE1 4.24Å; A315-F318 HydrophobicContact CB-CB 4.1Å; A315-F318 HydrophobicContact CB-CD2 4.43Å; A315-F318 PolarHBondContact O-N 3.33Å
319	D	96	Very high	89.9	Confident	38 Å²	38	44.8 Å²	44.8	20%	0.203	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139	169.6	-67.8	-30.9	0	0	0	109.8	K249 E251 G252 A253 M289 Y290 Y321	K249-D319 WeakPolarHBondContact CE-OD2 3.2Å; K249-D319 HydrophobicContact CG-CB 4.43Å; K249-D319 IonicContact NZ-OD2 2.69Å; K249-D319 PolarHBondContact NZ-OD2 2.87Å; E251-D319 WeakPolarHBondContact CA-OD1 3.38Å; G252-D319 PolarHBondContact N-OD1 2.03Å; A253-D319 CarbonylContact O-C 3.52Å; M289-D319 CarbonylContact C-O 3.54Å; M289-D319 VanDerWaalsContact CA-O 3.27Å; M289-D319 WeakPolarHBondContact CA-O 3.29Å; Y290-D319 PolarHBondContact N-O 3.26Å; Y290-D319 PolarHBondContact O-N 2.74Å; D319-Y321 HydrophobicContact CB-CD2 4.49Å; D319-Y321 HydrophobicContact CB-CE2 3.66Å; D319-Y321 WeakPolarHBondContact O-CD2 3.32Å
320	Y	96.8	Very high	89.8	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136	-178.4	170.4	-95.7	0	0	0	110.7	K249 T250 A253 I255 S287 M289 R303 L304 E322	K249-Y320 CarbonylContact C-O 3.02Å; K249-Y320 VanDerWaalsContact CA-O 3.24Å; K249-Y320 WeakPolarHBondContact CA-O 3.38Å; T250-Y320 PolarHBondContact N-O 3.05Å; T250-Y320 PolarHBondContact O-N 3.42Å; A253-Y320 PolarHBondContact O-N 2.87Å; I255-Y320 HydrophobicContact CD1-CE2 4.23Å; I255-Y320 HydrophobicContact CG1-CE2 4.31Å; I255-Y320 HydrophobicContact CG2-CE2 4.32Å; S287-Y320 VanDerWaalsContact CB-CE2 3.42Å; S287-Y320 VanDerWaalsContact CB-OH 3.3Å; S287-Y320 WeakPolarHBondContact CB-OH 3.24Å; M289-Y320 HydrophobicContact CG-CD2 3.94Å; M289-Y320 HydrophobicContact SD-CD2 3.63Å; M289-Y320 HydrophobicContact SD-CE2 4.08Å; R303-Y320 WeakPolarHBondContact CA-OH 3.42Å; L304-Y320 HydrophobicContact CB-CD1 4.34Å; L304-Y320 HydrophobicContact CB-CE1 3.53Å; L304-Y320 HydrophobicContact CB-CE2 4.28Å; L304-Y320 HydrophobicContact CD2-CD1 3.63Å; L304-Y320 HydrophobicContact CD2-CE1 3.66Å; L304-Y320 HydrophobicContact CD2-CG 4.26Å; L304-Y320 HydrophobicContact CG-CE1 4.24Å; L304-Y320 PolarHBondContact N-OH 2.81Å; Y320-E322 HydrophobicContact CE1-CB 3.67Å; Y320-E322 PolarHBondContact OH-OE2 3.39Å
321	Y	96.8	Very high	89.7	Confident	16 Å²	16	44.8 Å²	44.8	6%	0.063	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117.7	-176.8	-66.1	-100.2	0	0	0	110.5	T248 K249 F266 S287 F288 D319 V335 P336	T248-Y321 WeakPolarHBondContact O-CA 3.45Å; K249-Y321 HydrophobicContact CB-CD1 4.14Å; K249-Y321 HydrophobicContact CB-CE1 4.01Å; K249-Y321 HydrophobicContact CD-CE1 4.08Å; K249-Y321 WeakPolarHBondContact CE-OH 3.33Å; K249-Y321 HydrophobicContact CG-CD1 4.3Å; K249-Y321 HydrophobicContact CG-CE1 3.86Å; K249-Y321 HydrophobicContact CG-CE2 4.42Å; F266-Y321 HydrophobicContact CE2-CD1 4.16Å; F266-Y321 HydrophobicContact CE2-CD2 4.41Å; F266-Y321 AromaticContact CE2-CE1 3.58Å; F266-Y321 HydrophobicContact CE2-CE1 3.58Å; F266-Y321 AromaticContact CE2-CE2 3.88Å; F266-Y321 HydrophobicContact CE2-CE2 3.88Å; F266-Y321 AromaticContact CE2-CZ 3.42Å; F266-Y321 VanDerWaalsContact CE2-CZ 3.42Å; F266-Y321 HydrophobicContact CZ-CD1 4.32Å; F266-Y321 AromaticContact CZ-CE1 3.74Å; F266-Y321 HydrophobicContact CZ-CE1 3.74Å; S287-Y321 CarbonylContact C-O 3.49Å; S287-Y321 WeakPolarHBondContact CA-O 3.46Å; S287-Y321 WeakPolarHBondContact CB-O 3.46Å; F288-Y321 AromaticContact CD2-CD2 3.98Å; F288-Y321 HydrophobicContact CD2-CD2 3.98Å; F288-Y321 HydrophobicContact CD2-CG 4.3Å; F288-Y321 HydrophobicContact CE1-CG 4.11Å; F288-Y321 HydrophobicContact CE2-CD1 4.4Å; F288-Y321 AromaticContact CE2-CD2 3.47Å; F288-Y321 HydrophobicContact CE2-CD2 3.47Å; F288-Y321 VanDerWaalsContact CE2-CD2 3.47Å; F288-Y321 HydrophobicContact CE2-CE2 4.07Å; F288-Y321 AromaticContact CE2-CG 3.67Å; F288-Y321 HydrophobicContact CE2-CG 3.67Å; F288-Y321 AromaticContact CZ-CD1 3.99Å; F288-Y321 HydrophobicContact CZ-CD1 3.99Å; F288-Y321 AromaticContact CZ-CD2 3.89Å; F288-Y321 HydrophobicContact CZ-CD2 3.89Å; F288-Y321 AromaticContact CZ-CG 3.56Å; F288-Y321 HydrophobicContact CZ-CG 3.56Å; F288-Y321 PolarHBondContact N-O 2.9Å; F288-Y321 PolarHBondContact O-N 2.94Å; D319-Y321 HydrophobicContact CB-CD2 4.49Å; D319-Y321 HydrophobicContact CB-CE2 3.66Å; D319-Y321 WeakPolarHBondContact O-CD2 3.32Å; Y321-V335 HydrophobicContact CD1-CG1 4.45Å; Y321-P336 HydrophobicContact CE1-CB 4.5Å
322	E	94.8	Very high	89.6	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131	-177.6	-171.5	167.6	139.2	0	0	112.9	Y247 T248 R303 L304 Y320 Q324	Y247-E322 VanDerWaalsContact CA-O 3.23Å; Y247-E322 WeakPolarHBondContact CA-O 3.18Å; Y247-E322 VanDerWaalsContact CD1-C 3.5Å; T248-E322 PolarHBondContact N-O 3.33Å; T248-E322 PolarHBondContact O-N 3.02Å; R303-E322 WeakPolarHBondContact CD-OE1 3.48Å; R303-E322 HydrophobicContact CG-CG 4.08Å; R303-E322 WeakPolarHBondContact CG-OE1 3.43Å; R303-E322 IonicContact CZ-OE1 3.82Å; R303-E322 IonicContact NE-OE1 2.7Å; R303-E322 VanDerWaalsContact NH1-CG 3.33Å; R303-E322 IonicContact NH1-OE1 2.79Å; R303-E322 PolarHBondContact NH1-OE1 2.92Å; L304-E322 PolarHBondContact N-OE2 3.23Å; Y320-E322 HydrophobicContact CE1-CB 3.67Å; Y320-E322 PolarHBondContact OH-OE2 3.39Å; E322-Q324 PolarHBondContact O-N 3.4Å
323	K	93.9	Very high	89.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.9	178.4	-77.3	-176.8	173.9	175.2	0	112.1	A237 M245 Q246 Y247 C273 C285 K286 R303	A237-K323 PolarHBondContact O-NZ 3.24Å; M245-K323 HydrophobicContact CE-CB 3.81Å; M245-K323 HydrophobicContact CE-CD 3.74Å; M245-K323 HydrophobicContact CE-CG 3.87Å; M245-K323 HydrophobicContact SD-CD 4.41Å; Q246-K323 CarbonylContact O-C 3.55Å; Q246-K323 WeakPolarHBondContact O-CA 3.21Å; Y247-K323 HydrophobicContact CD1-CG 4.11Å; Y247-K323 HydrophobicContact CE1-CB 4.32Å; Y247-K323 HydrophobicContact CE1-CG 3.38Å; Y247-K323 VanDerWaalsContact OH-CE 3.28Å; Y247-K323 WeakPolarHBondContact OH-CE 3.4Å; C273-K323 VanDerWaalsContact O-CE 3.29Å; C273-K323 WeakPolarHBondContact O-CE 3.04Å; C273-K323 PolarHBondContact O-NZ 2.88Å; C285-K323 WeakPolarHBondContact O-CD 3.15Å; C285-K323 WeakPolarHBondContact O-CE 3.39Å; C285-K323 PolarHBondContact O-NZ 3.39Å; K286-K323 VanDerWaalsContact O-CB 3.28Å; K286-K323 WeakPolarHBondContact O-CB 3.47Å; K286-K323 WeakPolarHBondContact O-CG 3.48Å; K286-K323 PolarHBondContact O-N 3.33Å; R303-K323 VanDerWaalsContact CZ-O 3.26Å; R303-K323 PolarHBondContact NH1-O 2.99Å; R303-K323 PolarHBondContact NH2-O 3.36Å
324	Q	92.1	Very high	88.9	Confident	8 Å²	8	38 Å²	38	4%	0.037	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.4	169.8	-59.3	-57.3	-19.8	0	0	110.6	Q246 T248 E322 Y326 T361	Q246-Q324 PolarHBondContact N-O 2.69Å; Q246-Q324 VanDerWaalsContact N-O 3.07Å; Q246-Q324 PolarHBondContact O-N 2.91Å; T248-Q324 WeakPolarHBondContact OG1-CG 3.48Å; E322-Q324 PolarHBondContact O-N 3.4Å; Q324-Y326 HydrophobicContact CB-CE1 3.83Å; Q324-Y326 HydrophobicContact CB-CE2 3.91Å; Q324-Y326 VanDerWaalsContact CB-CZ 3.46Å; Q324-Y326 WeakPolarHBondContact CB-OH 3.46Å; Q324-Y326 HydrophobicContact CG-CE1 4.49Å; Q324-Y326 WeakPolarHBondContact CG-OH 3.5Å; Q324-T361 HydrophobicContact CB-CG2 4.22Å; Q324-T361 VanDerWaalsContact OE1-CG2 3.29Å; Q324-T361 PolarHBondContact OE1-OG1 2.9Å
325	C	89.6	Confident	88.8	Confident	42 Å²	42	32.5 Å²	32.5	28%	0.284	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	103.5	178.8	-70.2	0	0	0	0	109.6	C239 V244	C239-C325 WeakPolarHBondContact CA-SG 3.43Å; C239-C325 HydrophobicContact CB-CB 3.91Å; C239-C325 WeakPolarHBondContact CB-SG 3.47Å; C239-C325 WeakPolarHBondContact SG-CA 3.46Å; C239-C325 WeakPolarHBondContact SG-CB 3.31Å; C239-C325 CovalentContact SG-SG 2.04Å; C239-C325 PolarHBondContact SG-SG 3.12Å; V244-C325 WeakPolarHBondContact O-CA 3.36Å
326	Y	89.5	Confident	88.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142	-178	-56.9	-55.4	0	0	0	111.1	S243 V244 Q246 T248 Q324 T331 F338 T361 Q364 D365 L368	S243-Y326 CarbonylContact C-O 3.51Å; S243-Y326 VanDerWaalsContact CA-O 3.25Å; S243-Y326 WeakPolarHBondContact CA-O 3.34Å; S243-Y326 WeakPolarHBondContact CB-O 3.5Å; V244-Y326 PolarHBondContact N-O 2.66Å; V244-Y326 PolarHBondContact O-N 3.14Å; V244-Y326 VanDerWaalsContact O-N 3.11Å; Q246-Y326 HydrophobicContact CB-CD2 3.74Å; Q246-Y326 HydrophobicContact CB-CE2 3.58Å; Q246-Y326 HydrophobicContact CG-CD2 4.35Å; Q246-Y326 HydrophobicContact CG-CE2 4.46Å; T248-Y326 PolarHBondContact OG1-OH 3.31Å; Q324-Y326 HydrophobicContact CB-CE1 3.83Å; Q324-Y326 HydrophobicContact CB-CE2 3.91Å; Q324-Y326 VanDerWaalsContact CB-CZ 3.46Å; Q324-Y326 WeakPolarHBondContact CB-OH 3.46Å; Q324-Y326 HydrophobicContact CG-CE1 4.49Å; Q324-Y326 WeakPolarHBondContact CG-OH 3.5Å; Y326-T331 WeakPolarHBondContact CB-OG1 3.36Å; Y326-T331 HydrophobicContact CD2-CG2 3.65Å; Y326-T331 HydrophobicContact CG-CG2 4.37Å; Y326-F338 HydrophobicContact CE1-CE2 4.4Å; Y326-F338 AromaticContact CZ-CD2 3.99Å; Y326-F338 WeakPolarHBondContact OH-CD2 3.42Å; Y326-T361 HydrophobicContact CD1-CG2 4.35Å; Y326-T361 HydrophobicContact CE1-CG2 4.19Å; Y326-Q364 HydrophobicContact CD1-CB 4.46Å; Y326-Q364 HydrophobicContact CE1-CB 3.61Å; Y326-Q364 PolarHBondContact OH-OE1 3.33Å; Y326-D365 WeakPolarHBondContact CA-OD1 3.22Å; Y326-D365 WeakPolarHBondContact CB-OD1 3.44Å; Y326-D365 HydrophobicContact CD1-CB 4.31Å; Y326-L368 HydrophobicContact CD1-CD1 4.02Å; Y326-L368 HydrophobicContact CD2-CD1 4.07Å; Y326-L368 HydrophobicContact CE1-CD1 4.47Å; Y326-L368 HydrophobicContact CE2-CD1 4.49Å; Y326-L368 HydrophobicContact CG-CD1 3.81Å
327	T	85.8	Confident	89.1	Confident	82 Å²	82	26.8 Å²	26.8	50%	0.503	16%	0.156	S	C	.	.			trans	-95.9	-13.9	172.4	68.2	0	0	0	0	112	D365	T327-D365 WeakPolarHBondContact CB-OD2 3.19Å; T327-D365 PolarHBondContact N-OD1 2.66Å; T327-D365 PolarHBondContact N-OD2 2.87Å; T327-D365 PolarHBondContact OG1-OD2 3.46Å
328	S	84.8	Confident	89.3	Confident	7 Å²	7	24.6 Å²	24.6	5%	0.049	13%	0.134	C	C	.	.			trans	-65.4	135.4	178.6	179	0	0	0	0	113.6	A330 T331 D365 L368 S369	S328-A330 PolarHBondContact O-N 3.42Å; S328-A330 PolarHBondContact OG-N 3.2Å; S328-T331 WeakPolarHBondContact O-CB 3.33Å; S328-T331 PolarHBondContact O-N 2.83Å; S328-T331 PolarHBondContact O-OG1 3.38Å; S328-D365 WeakPolarHBondContact CB-OD1 3.36Å; S328-D365 PolarHBondContact N-OD1 2.95Å; S328-L368 WeakPolarHBondContact OG-CB 3.47Å; S328-L368 PolarHBondContact OG-O 2.71Å; S328-S369 PolarHBondContact OG-OG 3.31Å
329	K	80.9	Confident	89.3	Confident	78 Å²	78	24.5 Å²	24.5	34%	0.339	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-3.5	169	-57.1	-169	-172	-162.5	0	113.9	V450 N451 T453 L454 K475 F492	K329-V450 PolarHBondContact NZ-O 3.35Å; K329-N451 WeakPolarHBondContact CE-O 3.46Å; K329-N451 PolarHBondContact NZ-O 2.89Å; K329-T453 PolarHBondContact NZ-O 3.31Å; K329-L454 HydrophobicContact CD-CD2 4.27Å; K329-K475 WeakPolarHBondContact O-CD 3.43Å; K329-K475 WeakPolarHBondContact O-CE 3.01Å; K329-K475 VanDerWaalsContact O-CG 3.28Å; K329-K475 WeakPolarHBondContact O-CG 3.39Å; K329-F492 HydrophobicContact CD-CD1 4.39Å; K329-F492 HydrophobicContact CG-CD1 4Å; K329-F492 HydrophobicContact CG-CE1 4.16Å; K329-F492 HydrophobicContact CG-CG 4.5Å
330	A	82.5	Confident	89.3	Confident	40 Å²	40	23.8 Å²	23.8	33%	0.331	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	6.6	176	0	0	0	0	0	113	S328 C332 L368	S328-A330 PolarHBondContact O-N 3.42Å; S328-A330 PolarHBondContact OG-N 3.2Å; A330-C332 PolarHBondContact O-N 2.85Å; A330-L368 VanDerWaalsContact CB-O 3.29Å; A330-L368 WeakPolarHBondContact CB-O 3.03Å
331	T	86.7	Confident	89.2	Confident	8 Å²	8	25.3 Å²	25.3	5%	0.049	14%	0.136	C	C	.	.			trans	-47.6	125.2	168.2	-62.4	0	0	0	0	111.5	V244 Q246 Y326 S328	V244-T331 HydrophobicContact CG1-CG2 3.89Å; Q246-T331 HydrophobicContact CB-CG2 4.26Å; Q246-T331 HydrophobicContact CG-CG2 3.47Å; Q246-T331 VanDerWaalsContact CG-CG2 3.47Å; Y326-T331 WeakPolarHBondContact CB-OG1 3.36Å; Y326-T331 HydrophobicContact CD2-CG2 3.65Å; Y326-T331 HydrophobicContact CG-CG2 4.37Å; S328-T331 WeakPolarHBondContact O-CB 3.33Å; S328-T331 PolarHBondContact O-N 2.83Å; S328-T331 PolarHBondContact O-OG1 3.38Å
332	C	84.1	Confident	88.9	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.02	15%	0.146	C	C	.	.			trans	-55.8	146.4	-178.5	-55.4	0	0	0	0	112.4	A330 S337 C422 R477	A330-C332 PolarHBondContact O-N 2.85Å; C332-S337 WeakPolarHBondContact CB-OG 3.47Å; C332-C422 WeakPolarHBondContact CA-SG 3.45Å; C332-C422 HydrophobicContact CB-CB 3.72Å; C332-C422 WeakPolarHBondContact CB-SG 3.35Å; C332-C422 WeakPolarHBondContact SG-CB 3.15Å; C332-C422 CovalentContact SG-SG 2.04Å; C332-C422 PolarHBondContact SG-SG 2.71Å; C332-R477 PolarHBondContact O-NH2 2.84Å
333	R	79.5	Confident	88.8	Confident	41 Å²	41	28.7 Å²	28.7	16%	0.155	16%	0.156	C	C	.	.	S	Bend	trans	-81.6	-47.7	178.8	179.5	168	173.8	149.4	1.6	112.5	P473 H511	R333-P473 WeakPolarHBondContact CD-O 3.27Å; R333-P473 PolarHBondContact NH1-O 2.72Å; R333-H511 PolarHBondContact NH2-CD2 2.83Å; R333-H511 VanDerWaalsContact NH2-CD2 3.31Å; R333-H511 PolarHBondContact NH2-CE1 2.79Å; R333-H511 PolarHBondContact NH2-ND1 2.75Å; R333-H511 PolarHBondContact NH2-NE2 3.23Å
334	Q	80.1	Confident	88.8	Confident	66 Å²	66	30.9 Å²	30.9	31%	0.308	17%	0.166	S	C	.	.	S	Bend	trans	-72.9	157.4	172.3	-64.8	-157.5	-8.8	0	0	111.2	Q246 E427 Q429	Q246-Q334 PolarHBondContact OE1-O 3.11Å; Q334-E427 VanDerWaalsContact CD-O 3.25Å; Q334-E427 PolarHBondContact NE2-O 3.44Å; Q334-Q429 PolarHBondContact NE2-O 2.69Å
335	V	87.8	Confident	88.9	Confident	24 Å²	24	31.3 Å²	31.3	15%	0.145	17%	0.169	C	C	.	.	S	Bend	trans	-106.1	130.9	179.6	179.6	0	0	0	0	108.7	Y247 F266 E270 Y321	Y247-V335 HydrophobicContact CD2-CG1 3.68Å; Y247-V335 HydrophobicContact CD2-CG2 4.38Å; Y247-V335 HydrophobicContact CG-CG1 4.06Å; F266-V335 HydrophobicContact CE1-CB 4.43Å; F266-V335 HydrophobicContact CZ-CB 4.34Å; F266-V335 HydrophobicContact CZ-CG1 4.01Å; E270-V335 HydrophobicContact CG-CG1 4.27Å; E270-V335 HydrophobicContact CG-CG2 4.36Å; Y321-V335 HydrophobicContact CD1-CG1 4.45Å
336	P	92.4	Very high	89.1	Confident	17 Å²	17	29.4 Å²	29.4	11%	0.11	16%	0.156	C	C	.	.			cis	-84.9	165.3	3.3	38.1	-37.9	0	0	0	112.8	Y247 K249 Y321 I339 T421	Y247-P336 WeakPolarHBondContact O-CA 3.3Å; Y247-P336 WeakPolarHBondContact O-CB 3.36Å; K249-P336 HydrophobicContact CB-CB 3.84Å; K249-P336 HydrophobicContact CB-CG 3.68Å; K249-P336 HydrophobicContact CD-CG 4.32Å; Y321-P336 HydrophobicContact CE1-CB 4.5Å; P336-I339 HydrophobicContact CG-CG1 4.41Å; P336-T421 HydrophobicContact CG-CG2 4.03Å; P336-T421 WeakPolarHBondContact O-CG2 3.37Å; P336-T421 PolarHBondContact O-OG1 2.85Å
337	S	92	Very high	89.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-83.3	-27.3	167.9	-62.7	0	0	0	0	113.3	Q246 Y247 C332 I420 T421	Q246-S337 VanDerWaalsContact CG-OG 3.23Å; Q246-S337 WeakPolarHBondContact CG-OG 3.22Å; Q246-S337 PolarHBondContact OE1-OG 3.4Å; Y247-S337 PolarHBondContact O-N 2.54Å; C332-S337 WeakPolarHBondContact CB-OG 3.47Å; S337-I420 WeakPolarHBondContact O-CA 3.47Å; S337-T421 PolarHBondContact O-N 2.91Å; S337-T421 VanDerWaalsContact O-N 3.11Å; S337-T421 PolarHBondContact O-OG1 3.34Å
338	F	94.7	Very high	89.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	148.1	-179.1	-73.5	-90.5	0	0	0	111	T248 K249 Y326 Q364 C367 L368 L383 F418 S419 I420	T248-F338 CarbonylContact C-O 3.57Å; T248-F338 WeakPolarHBondContact CA-O 3.48Å; T248-F338 HydrophobicContact CG2-CB 4.07Å; K249-F338 PolarHBondContact N-O 3.4Å; Y326-F338 HydrophobicContact CE1-CE2 4.4Å; Y326-F338 AromaticContact CZ-CD2 3.99Å; Y326-F338 WeakPolarHBondContact OH-CD2 3.42Å; F338-Q364 HydrophobicContact CD1-CG 4.35Å; F338-Q364 HydrophobicContact CD2-CB 4.23Å; F338-Q364 HydrophobicContact CD2-CG 4.04Å; F338-Q364 HydrophobicContact CE1-CB 4.49Å; F338-Q364 HydrophobicContact CE1-CG 4.22Å; F338-Q364 HydrophobicContact CE2-CB 3.66Å; F338-Q364 HydrophobicContact CE2-CG 3.91Å; F338-Q364 HydrophobicContact CG-CG 4.26Å; F338-Q364 HydrophobicContact CZ-CB 3.81Å; F338-Q364 HydrophobicContact CZ-CG 4Å; F338-C367 HydrophobicContact CE1-CB 4.49Å; F338-C367 HydrophobicContact CZ-CB 4.33Å; F338-L368 HydrophobicContact CE2-CD1 4.02Å; F338-L368 HydrophobicContact CE2-CD2 4.1Å; F338-L368 HydrophobicContact CE2-CG 3.93Å; F338-L368 HydrophobicContact CZ-CD2 4.14Å; F338-L368 HydrophobicContact CZ-CG 3.96Å; F338-L383 HydrophobicContact CE1-CD2 3.84Å; F338-L383 HydrophobicContact CZ-CD2 4.32Å; F338-F418 HydrophobicContact CD1-CB 4.02Å; F338-S419 CarbonylContact C-O 3.47Å; F338-S419 VanDerWaalsContact CA-O 3.23Å; F338-S419 WeakPolarHBondContact CA-O 3.4Å; F338-I420 HydrophobicContact CD1-CB 4.03Å; F338-I420 HydrophobicContact CE1-CB 3.78Å; F338-I420 HydrophobicContact CE1-CG2 4.44Å; F338-I420 HydrophobicContact CZ-CB 4.32Å
339	I	95.3	Very high	89.4	Confident	32 Å²	32	34.8 Å²	34.8	16%	0.164	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119	166.4	-53.6	175.3	0	0	0	107.5	E251 P336 F418 S419 T421	E251-I339 HydrophobicContact CG-CG2 4Å; P336-I339 HydrophobicContact CG-CG1 4.41Å; I339-F418 VanDerWaalsContact O-CA 3.25Å; I339-F418 WeakPolarHBondContact O-CA 3.42Å; I339-S419 PolarHBondContact N-O 2.75Å; I339-S419 PolarHBondContact O-N 2.04Å; I339-T421 HydrophobicContact CD1-CG2 4.31Å; I339-T421 HydrophobicContact CG1-CG2 4.08Å
340	R	95.6	Very high	89.7	Confident	24 Å²	24	33.8 Å²	33.8	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128	174.8	175.5	-172.8	-178.7	-149	-0.2	109.3	T248 K249 L304 E305 P342 D416 F418	T248-R340 HydrophobicContact CG2-CB 3.66Å; K249-R340 PolarHBondContact O-N 2.89Å; L304-R340 VanDerWaalsContact CD2-NH1 3.31Å; E305-R340 PolarHBondContact O-NH1 3.44Å; E305-R340 PolarHBondContact O-NH2 2.81Å; R340-P342 HydrophobicContact CG-CG 4.18Å; R340-D416 IonicContact CZ-OD2 2.82Å; R340-D416 IonicContact NE-OD1 2.91Å; R340-D416 IonicContact NE-OD2 3.3Å; R340-D416 PolarHBondContact NE-OD2 3.33Å; R340-D416 IonicContact NH2-OD1 2.84Å; R340-D416 IonicContact NH2-OD2 3.06Å; R340-D416 PolarHBondContact NH2-OD2 3.32Å; R340-F418 HydrophobicContact CB-CD1 3.58Å; R340-F418 HydrophobicContact CB-CE1 3.52Å; R340-F418 HydrophobicContact CB-CZ 4.39Å; R340-F418 HydrophobicContact CG-CD1 4Å; R340-F418 HydrophobicContact CG-CE1 3.52Å; R340-F418 HydrophobicContact CG-CZ 3.91Å
341	H	94	Very high	90.1	Very high	33 Å²	33	34.2 Å²	34.2	15%	0.153	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	100.9	167.2	-58.6	-102.2	0	0	0	107.1	H344 H399 F406 Y417	H341-H344 HydrophobicContact CB-CB 4.2Å; H341-H399 AromaticContact CE1-CE1 3.56Å; H341-H399 AromaticContact CE1-ND1 3.9Å; H341-H399 AromaticContact NE2-CE1 3.27Å; H341-H399 PolarHBondContact NE2-CE1 3Å; H341-H399 VanDerWaalsContact NE2-CE1 3.27Å; H341-H399 AromaticContact NE2-ND1 3.5Å; H341-H399 PolarHBondContact NE2-ND1 2.98Å; H341-F406 HydrophobicContact CB-CE2 4.43Å; H341-F406 HydrophobicContact CB-CZ 3.73Å; H341-F406 AromaticContact CG-CZ 3.78Å; H341-F406 AromaticContact ND1-CZ 3.92Å; H341-Y417 HydrophobicContact CB-CD1 4.17Å; H341-Y417 AromaticContact CD2-CD1 3.65Å; H341-Y417 AromaticContact CD2-CE1 3.89Å; H341-Y417 PolarHBondContact N-O 3.49Å; H341-Y417 PolarHBondContact O-N 2.87Å
342	P	91.2	Very high	90.4	Very high	43 Å²	43	37.1 Å²	37.1	28%	0.279	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	142.6	-173.9	-20.5	32.2	0	0	0	111.9	T250 R340 H344 D416	T250-P342 HydrophobicContact CG2-CG 3.8Å; R340-P342 HydrophobicContact CG-CG 4.18Å; P342-H344 VanDerWaalsContact C-N 3.31Å; P342-H344 PolarHBondContact O-N 2.87Å; P342-H344 PolarHBondContact O-ND1 2.87Å; P342-D416 WeakPolarHBondContact CA-OD1 3.49Å
343	Q	91.8	Very high	90.9	Very high	55 Å²	55	40.4 Å²	40.4	26%	0.257	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	41.5	174.5	-161.2	58.2	30.9	0	0	113.3	Q408 E409 F413 V415 D416	Q343-Q408 VanDerWaalsContact O-CG 3.3Å; Q343-Q408 WeakPolarHBondContact O-CG 3.41Å; Q343-E409 WeakPolarHBondContact CG-O 3.11Å; Q343-E409 PolarHBondContact NE2-O 2.88Å; Q343-E409 PolarHBondContact O-N 2.86Å; Q343-F413 PolarHBondContact NE2-O 2.85Å; Q343-V415 WeakPolarHBondContact CA-O 3.47Å; Q343-V415 PolarHBondContact N-O 2.98Å; Q343-V415 VanDerWaalsContact N-O 3.1Å; Q343-D416 PolarHBondContact N-OD1 2.76Å
344	H	94.1	Very high	91.6	Very high	45 Å²	45	40.1 Å²	40.1	21%	0.208	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.1	178.8	-77.5	69.4	0	0	0	111.1	H341 P342 F406 V407 V415 Y417	H341-H344 HydrophobicContact CB-CB 4.2Å; P342-H344 VanDerWaalsContact C-N 3.31Å; P342-H344 PolarHBondContact O-N 2.87Å; P342-H344 PolarHBondContact O-ND1 2.87Å; H344-F406 HydrophobicContact CB-CE2 3.71Å; H344-F406 HydrophobicContact CB-CZ 3.7Å; H344-F406 AromaticContact CD2-CE1 3.56Å; H344-F406 AromaticContact CD2-CZ 3.45Å; H344-F406 VanDerWaalsContact CD2-CZ 3.45Å; H344-F406 WeakPolarHBondContact CD2-CZ 3.45Å; H344-F406 AromaticContact CG-CZ 3.77Å; H344-V407 CarbonylContact C-O 3.58Å; H344-V407 VanDerWaalsContact CA-O 3.32Å; H344-V407 WeakPolarHBondContact CA-O 3.28Å; H344-V415 PolarHBondContact N-O 2.84Å; H344-Y417 VanDerWaalsContact O-CB 3.29Å; H344-Y417 WeakPolarHBondContact O-CB 3.07Å; H344-Y417 PolarHBondContact O-N 2.73Å
345	L	93.9	Very high	92.2	Very high	18 Å²	18	43.6 Å²	43.6	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	164.8	175.8	64.2	79.9	0	0	0	112.4	V347 M384 F406 V407 E409 V415	L345-V347 HydrophobicContact CD1-CG2 3.46Å; L345-V347 VanDerWaalsContact CD1-CG2 3.46Å; L345-M384 HydrophobicContact CB-SD 3.65Å; L345-F406 WeakPolarHBondContact O-CA 3.45Å; L345-F406 WeakPolarHBondContact O-CD2 3.4Å; L345-V407 HydrophobicContact CD1-CG2 3.48Å; L345-V407 VanDerWaalsContact CD1-CG2 3.48Å; L345-V407 HydrophobicContact CG-CG2 4Å; L345-V407 PolarHBondContact N-O 2.82Å; L345-V407 PolarHBondContact O-N 3.03Å; L345-E409 HydrophobicContact CD2-CB 4.12Å; L345-E409 HydrophobicContact CD2-CG 4.36Å; L345-E409 WeakPolarHBondContact CD2-OE2 3.46Å; L345-V415 HydrophobicContact CB-CG1 4.48Å; L345-V415 HydrophobicContact CD2-CG1 4.36Å
346	L	94.6	Very high	92.2	Very high	2 Å²	2	48 Å²	48	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	102.8	179.4	177.1	59.6	0	0	0	109.6	G348 Y349 M384 N395 E397 K402 L405 F406 Y417	L346-G348 PolarHBondContact O-N 2.91Å; L346-Y349 HydrophobicContact CD1-CD2 3.93Å; L346-Y349 HydrophobicContact CD2-CD2 4.37Å; L346-Y349 HydrophobicContact CG-CD2 3.98Å; L346-M384 HydrophobicContact CB-SD 4.18Å; L346-M384 PolarHBondContact N-SD 3.48Å; L346-N395 HydrophobicContact CD2-CB 4.47Å; L346-E397 HydrophobicContact CD2-CB 4.32Å; L346-K402 HydrophobicContact CD1-CB 3.89Å; L346-L405 HydrophobicContact CD1-CB 4.4Å; L346-F406 HydrophobicContact CD1-CB 4.39Å; L346-Y417 HydrophobicContact CB-CD2 3.92Å; L346-Y417 HydrophobicContact CB-CE2 3.8Å; L346-Y417 HydrophobicContact CD2-CE2 3.93Å; L346-Y417 HydrophobicContact CG-CE2 4.47Å
347	V	91.9	Very high	92	Very high	65 Å²	65	47.5 Å²	47.5	39%	0.394	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	131	-171	-177.8	0	0	0	0	111.5	L345 Y349 L405 V407	L345-V347 HydrophobicContact CD1-CG2 3.46Å; L345-V347 VanDerWaalsContact CD1-CG2 3.46Å; V347-Y349 VanDerWaalsContact C-N 3.34Å; V347-Y349 WeakPolarHBondContact O-CD2 3.39Å; V347-Y349 PolarHBondContact O-N 3.35Å; V347-L405 HydrophobicContact CB-CB 4.34Å; V347-L405 HydrophobicContact CB-CD2 4.13Å; V347-L405 HydrophobicContact CG1-CD2 4.38Å; V347-L405 PolarHBondContact N-O 2.87Å; V347-V407 HydrophobicContact CG2-CG2 3.85Å
348	G	85.8	Confident	91.4	Very high	73 Å²	73	49.9 Å²	49.9	75%	0.753	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	4.2	166.1	0	0	0	0	0	116.7	L346	L346-G348 PolarHBondContact O-N 2.91Å
349	Y	88.7	Confident	90.9	Very high	64 Å²	64	51 Å²	51	25%	0.251	30%	0.296	S	S	.	.			trans	-114.3	15	-179.3	-62.4	-60.4	0	0	0	115.2	L346 V347 A351 N395 E397 K402 L405	L346-Y349 HydrophobicContact CD1-CD2 3.93Å; L346-Y349 HydrophobicContact CD2-CD2 4.37Å; L346-Y349 HydrophobicContact CG-CD2 3.98Å; V347-Y349 VanDerWaalsContact C-N 3.34Å; V347-Y349 WeakPolarHBondContact O-CD2 3.39Å; V347-Y349 PolarHBondContact O-N 3.35Å; Y349-A351 PolarHBondContact O-N 2.03Å; Y349-A351 VanDerWaalsContact O-N 3.09Å; Y349-N395 WeakPolarHBondContact O-CA 3.35Å; Y349-N395 WeakPolarHBondContact O-CB 3.42Å; Y349-N395 PolarHBondContact O-OD1 2.9Å; Y349-E397 HydrophobicContact CD1-CB 4.35Å; Y349-E397 HydrophobicContact CD1-CG 3.72Å; Y349-E397 HydrophobicContact CD2-CB 4.36Å; Y349-E397 HydrophobicContact CE1-CG 4.3Å; Y349-E397 HydrophobicContact CG-CB 3.98Å; Y349-E397 HydrophobicContact CG-CG 3.87Å; Y349-K402 HydrophobicContact CD2-CB 4.24Å; Y349-K402 HydrophobicContact CD2-CD 4.34Å; Y349-K402 HydrophobicContact CD2-CG 3.86Å; Y349-K402 HydrophobicContact CE1-CD 4.37Å; Y349-K402 HydrophobicContact CE2-CB 3.83Å; Y349-K402 HydrophobicContact CE2-CD 3.51Å; Y349-K402 HydrophobicContact CE2-CG 3.47Å; Y349-K402 VanDerWaalsContact CE2-CG 3.47Å; Y349-L405 HydrophobicContact CE2-CB 4.23Å; Y349-L405 HydrophobicContact CE2-CD1 3.51Å
350	A	87.3	Confident	90.6	Very high	56 Å²	56	49.7 Å²	49.7	46%	0.463	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	108.3	166.9	0	0	0	0	0	110	I393 N395	A350-I393 HydrophobicContact CB-CG2 3.43Å; A350-I393 VanDerWaalsContact CB-CG2 3.43Å; A350-N395 WeakPolarHBondContact CA-OD1 3.15Å
351	A	90.4	Very high	90.4	Very high	49 Å²	49	49.8 Å²	49.8	41%	0.405	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-25.4	-176.1	0	0	0	0	0	112.5	Y349 F378 L394 T396	Y349-A351 PolarHBondContact O-N 2.03Å; Y349-A351 VanDerWaalsContact O-N 3.09Å; A351-F378 HydrophobicContact CB-CE2 3.8Å; A351-L394 PolarHBondContact N-O 3.34Å; A351-T396 HydrophobicContact CB-CG2 4.01Å
352	Y	93.2	Very high	90.2	Very high	69 Å²	69	52.4 Å²	52.4	27%	0.271	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	140.1	170.3	-163	-106.1	0	0	0	109.7	I354 P371 E373 A374 L394	Y352-I354 HydrophobicContact CD1-CD1 3.83Å; Y352-I354 HydrophobicContact CD1-CG1 3.56Å; Y352-I354 HydrophobicContact CE1-CD1 3.74Å; Y352-I354 HydrophobicContact CE1-CG1 3.5Å; Y352-P371 HydrophobicContact CD1-CG 4.15Å; Y352-P371 HydrophobicContact CE1-CG 3.43Å; Y352-P371 VanDerWaalsContact CE1-CG 3.43Å; Y352-E373 VanDerWaalsContact OH-CB 3.32Å; Y352-E373 WeakPolarHBondContact OH-CB 3.36Å; Y352-A374 HydrophobicContact CD1-CB 4.26Å; Y352-A374 HydrophobicContact CD2-CB 3.85Å; Y352-A374 HydrophobicContact CE1-CB 4.46Å; Y352-A374 HydrophobicContact CE2-CB 4.08Å; Y352-A374 HydrophobicContact CG-CB 3.94Å; Y352-L394 HydrophobicContact CD1-CD1 4.2Å; Y352-L394 PolarHBondContact N-O 2.93Å; Y352-L394 VanDerWaalsContact N-O 3.11Å; Y352-L394 PolarHBondContact O-N 2.99Å
353	V	93.9	Very high	90.4	Very high	73 Å²	73	50.3 Å²	50.3	44%	0.442	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.2	-179.2	-179.6	0	0	0	0	108.9	I393	V353-I393 HydrophobicContact CG1-CG1 4.3Å; V353-I393 HydrophobicContact CG2-CD1 4.43Å; V353-I393 HydrophobicContact CG2-CG1 4.16Å; V353-I393 HydrophobicContact CG2-CG2 4.27Å
354	I	94.4	Very high	90.6	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.179	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	106.6	-178.7	-44.7	179.6	0	0	0	108.5	Y352 V357 I366 P371 C392 L394	Y352-I354 HydrophobicContact CD1-CD1 3.83Å; Y352-I354 HydrophobicContact CD1-CG1 3.56Å; Y352-I354 HydrophobicContact CE1-CD1 3.74Å; Y352-I354 HydrophobicContact CE1-CG1 3.5Å; I354-V357 HydrophobicContact CB-CG2 3.83Å; I354-V357 HydrophobicContact CG2-CG2 3.51Å; I354-I366 HydrophobicContact CD1-CD1 4.36Å; I354-I366 HydrophobicContact CD1-CG2 3.57Å; I354-P371 HydrophobicContact CD1-CG 4.31Å; I354-C392 HydrophobicContact CB-CB 4.24Å; I354-C392 PolarHBondContact N-O 2.93Å; I354-C392 PolarHBondContact O-N 3.17Å; I354-L394 HydrophobicContact CD1-CD1 4.31Å
355	E	93.1	Very high	90.5	Very high	139 Å²	139	46.1 Å²	46.1	65%	0.65	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	157.7	177.5	-55.5	170.3	-167.5	0	0	111.5	V357 D391	E355-V357 VanDerWaalsContact C-N 3.26Å; E355-V357 PolarHBondContact O-N 2.86Å; E355-D391 VanDerWaalsContact CA-OD1 3.28Å; E355-D391 WeakPolarHBondContact CA-OD1 3.47Å
356	N	87.5	Confident	90.5	Very high	116 Å²	116	46.4 Å²	46.4	62%	0.62	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	26.5	172	-61	-98.4	0	0	0	114.9	L390	N356-L390 PolarHBondContact N-O 3Å
357	V	88.9	Confident	90.5	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.036	27%	0.274	C	S	.	.			trans	-73.2	122	175.7	172.7	0	0	0	0	108.8	I354 E355 S359 K362 C363 I366 Y385 L390 C392	I354-V357 HydrophobicContact CB-CG2 3.83Å; I354-V357 HydrophobicContact CG2-CG2 3.51Å; E355-V357 VanDerWaalsContact C-N 3.26Å; E355-V357 PolarHBondContact O-N 2.86Å; V357-S359 VanDerWaalsContact C-N 3.3Å; V357-S359 PolarHBondContact O-N 2.96Å; V357-K362 HydrophobicContact CG1-CB 4.05Å; V357-K362 HydrophobicContact CG1-CG 4.08Å; V357-C363 HydrophobicContact CG1-CB 4Å; V357-I366 HydrophobicContact CG1-CD1 4.26Å; V357-I366 HydrophobicContact CG2-CD1 4.13Å; V357-Y385 HydrophobicContact CB-CE2 4.29Å; V357-Y385 HydrophobicContact CG1-CE2 4.23Å; V357-Y385 WeakPolarHBondContact O-CE2 3.41Å; V357-Y385 PolarHBondContact O-OH 2.91Å; V357-L390 PolarHBondContact N-O 3.24Å; V357-C392 HydrophobicContact CB-CB 3.78Å; V357-C392 HydrophobicContact CG1-CB 4.08Å; V357-C392 HydrophobicContact CG2-CB 3.59Å
358	P	79.1	Confident	90.5	Very high	51 Å²	51	44 Å²	44	33%	0.331	26%	0.258	S	S	.	.			trans	-76.7	-8.9	-162.6	29	-37.2	0	0	0	115.4
359	S	83.4	Confident	90.7	Very high	24 Å²	24	43.4 Å²	43.4	17%	0.168	24%	0.242	C	C	.	.			trans	-164	156.6	177.6	65.7	0	0	0	0	113.3	V357 T361 K362 C363 Y385	V357-S359 VanDerWaalsContact C-N 3.3Å; V357-S359 PolarHBondContact O-N 2.96Å; S359-T361 VanDerWaalsContact C-N 3.29Å; S359-T361 PolarHBondContact O-N 2.87Å; S359-K362 PolarHBondContact O-N 2.83Å; S359-K362 PolarHBondContact OG-N 3.02Å; S359-C363 PolarHBondContact O-N 2.82Å; S359-Y385 PolarHBondContact N-OH 3.19Å
360	V	90.7	Very high	90.8	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	24%	0.243	C	C	.	.	H	α-helix	trans	-48.5	-49.6	167.7	173.6	0	0	0	0	111.6	M307 K362 C363 Q364 Y385 Y387 F418	M307-V360 HydrophobicContact SD-CB 3.87Å; M307-V360 HydrophobicContact SD-CG1 4.34Å; M307-V360 HydrophobicContact SD-CG2 4.04Å; V360-K362 PolarHBondContact O-N 2.89Å; V360-C363 WeakPolarHBondContact O-CB 3.43Å; V360-C363 PolarHBondContact O-N 3.3Å; V360-Q364 HydrophobicContact CG1-CG 4.31Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.19Å; V360-Y385 HydrophobicContact CB-CD1 4.46Å; V360-Y385 HydrophobicContact CG2-CD1 3.42Å; V360-Y385 VanDerWaalsContact CG2-CD1 3.42Å; V360-Y385 HydrophobicContact CG2-CE1 3.88Å; V360-Y385 HydrophobicContact CG2-CG 3.96Å; V360-Y387 HydrophobicContact CG2-CD1 4.49Å; V360-Y387 HydrophobicContact CG2-CE1 3.46Å; V360-Y387 VanDerWaalsContact CG2-CE1 3.46Å; V360-Y387 WeakPolarHBondContact CG2-OH 3.48Å; V360-F418 HydrophobicContact CB-CZ 4.46Å; V360-F418 HydrophobicContact CG1-CE1 3.71Å; V360-F418 HydrophobicContact CG1-CE2 3.94Å; V360-F418 HydrophobicContact CG1-CZ 3.32Å; V360-F418 HydrophobicContact CG2-CZ 4.27Å
361	T	90.5	Very high	90.8	Very high	27 Å²	27	41.2 Å²	41.2	17%	0.166	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-38.2	-180	-40.3	0	0	0	0	110.9	Q324 Y326 S359 D365	Q324-T361 HydrophobicContact CB-CG2 4.22Å; Q324-T361 VanDerWaalsContact OE1-CG2 3.29Å; Q324-T361 PolarHBondContact OE1-OG1 2.9Å; Y326-T361 HydrophobicContact CD1-CG2 4.35Å; Y326-T361 HydrophobicContact CE1-CG2 4.19Å; S359-T361 VanDerWaalsContact C-N 3.29Å; S359-T361 PolarHBondContact O-N 2.87Å; T361-D365 WeakPolarHBondContact O-CB 3.49Å; T361-D365 PolarHBondContact O-N 3.09Å
362	K	90.5	Very high	90.6	Very high	87 Å²	87	44.8 Å²	44.8	38%	0.378	25%	0.248	S	C	.	.	H	α-helix	trans	-72.4	-37.5	176.6	-174.5	54.2	-173.1	159.4	0	112.4	V357 S359 V360 D365 I366	V357-K362 HydrophobicContact CG1-CB 4.05Å; V357-K362 HydrophobicContact CG1-CG 4.08Å; S359-K362 PolarHBondContact O-N 2.83Å; S359-K362 PolarHBondContact OG-N 3.02Å; V360-K362 PolarHBondContact O-N 2.89Å; K362-D365 HydrophobicContact CD-CB 4.49Å; K362-D365 PolarHBondContact O-N 2.96Å; K362-I366 HydrophobicContact CD-CD1 4.38Å; K362-I366 HydrophobicContact CD-CG1 4.4Å; K362-I366 HydrophobicContact CG-CD1 4.08Å; K362-I366 WeakPolarHBondContact O-CD1 3.39Å; K362-I366 WeakPolarHBondContact O-CG1 3.39Å; K362-I366 PolarHBondContact O-N 3.42Å
363	C	95	Very high	90.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-42.4	173.4	-173.7	0	0	0	0	112	V357 S359 V360 I366 C367 Y385 C392	V357-C363 HydrophobicContact CG1-CB 4Å; S359-C363 PolarHBondContact O-N 2.82Å; V360-C363 WeakPolarHBondContact O-CB 3.43Å; V360-C363 PolarHBondContact O-N 3.3Å; C363-I366 PolarHBondContact O-N 3.38Å; C363-C367 PolarHBondContact O-N 2.89Å; C363-Y385 HydrophobicContact CB-CD2 3.82Å; C363-Y385 HydrophobicContact CB-CE2 4.46Å; C363-C392 WeakPolarHBondContact CA-SG 3.3Å; C363-C392 HydrophobicContact CB-CB 3.73Å; C363-C392 WeakPolarHBondContact CB-SG 3.49Å; C363-C392 VanDerWaalsContact SG-CA 3.55Å; C363-C392 WeakPolarHBondContact SG-CB 3.38Å; C363-C392 CovalentContact SG-SG 2.03Å; C363-C392 PolarHBondContact SG-SG 2.95Å
364	Q	95.3	Very high	90	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-47.8	171.8	-73.6	171.2	-22.7	0	0	112.2	T248 Y326 F338 V360 I366 C367 L368 L383 F418	T248-Q364 PolarHBondContact OG1-NE2 2.85Å; T248-Q364 VanDerWaalsContact OG1-NE2 3.09Å; Y326-Q364 HydrophobicContact CD1-CB 4.46Å; Y326-Q364 HydrophobicContact CE1-CB 3.61Å; Y326-Q364 PolarHBondContact OH-OE1 3.33Å; F338-Q364 HydrophobicContact CD1-CG 4.35Å; F338-Q364 HydrophobicContact CD2-CB 4.23Å; F338-Q364 HydrophobicContact CD2-CG 4.04Å; F338-Q364 HydrophobicContact CE1-CB 4.49Å; F338-Q364 HydrophobicContact CE1-CG 4.22Å; F338-Q364 HydrophobicContact CE2-CB 3.66Å; F338-Q364 HydrophobicContact CE2-CG 3.91Å; F338-Q364 HydrophobicContact CG-CG 4.26Å; F338-Q364 HydrophobicContact CZ-CB 3.81Å; F338-Q364 HydrophobicContact CZ-CG 4Å; V360-Q364 HydrophobicContact CG1-CG 4.31Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.19Å; Q364-I366 PolarHBondContact O-N 2.95Å; Q364-C367 PolarHBondContact O-N 2.89Å; Q364-C367 VanDerWaalsContact O-N 3.1Å; Q364-L368 WeakPolarHBondContact O-CG 3.47Å; Q364-L368 PolarHBondContact O-N 3.19Å; Q364-L383 HydrophobicContact CB-CD2 4.37Å; Q364-L383 HydrophobicContact CG-CD2 3.96Å; Q364-F418 VanDerWaalsContact NE2-CD1 3.31Å
365	D	92.6	Very high	89.5	Confident	12 Å²	12	45.7 Å²	45.7	6%	0.064	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-29.4	177.5	-149.7	31.4	0	0	0	112.1	Y326 T327 S328 T361 K362 S369	Y326-D365 WeakPolarHBondContact CA-OD1 3.22Å; Y326-D365 WeakPolarHBondContact CB-OD1 3.44Å; Y326-D365 HydrophobicContact CD1-CB 4.31Å; T327-D365 WeakPolarHBondContact CB-OD2 3.19Å; T327-D365 PolarHBondContact N-OD1 2.66Å; T327-D365 PolarHBondContact N-OD2 2.87Å; T327-D365 PolarHBondContact OG1-OD2 3.46Å; S328-D365 WeakPolarHBondContact CB-OD1 3.36Å; S328-D365 PolarHBondContact N-OD1 2.95Å; T361-D365 WeakPolarHBondContact O-CB 3.49Å; T361-D365 PolarHBondContact O-N 3.09Å; K362-D365 HydrophobicContact CD-CB 4.49Å; K362-D365 PolarHBondContact O-N 2.96Å; D365-S369 PolarHBondContact O-N 2.94Å
366	I	94.2	Very high	88.8	Confident	23 Å²	23	44 Å²	44	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-76.5	-40	171.6	-65.1	161	0	0	0	111.7	I354 V357 K362 C363 Q364 L368 S369 P370 L394	I354-I366 HydrophobicContact CD1-CD1 4.36Å; I354-I366 HydrophobicContact CD1-CG2 3.57Å; V357-I366 HydrophobicContact CG1-CD1 4.26Å; V357-I366 HydrophobicContact CG2-CD1 4.13Å; K362-I366 HydrophobicContact CD-CD1 4.38Å; K362-I366 HydrophobicContact CD-CG1 4.4Å; K362-I366 HydrophobicContact CG-CD1 4.08Å; K362-I366 WeakPolarHBondContact O-CD1 3.39Å; K362-I366 WeakPolarHBondContact O-CG1 3.39Å; K362-I366 PolarHBondContact O-N 3.42Å; C363-I366 PolarHBondContact O-N 3.38Å; Q364-I366 PolarHBondContact O-N 2.95Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 2.97Å; I366-S369 CarbonylContact O-C 3.44Å; I366-S369 PolarHBondContact O-N 2.95Å; I366-P370 WeakPolarHBondContact O-CA 3.21Å; I366-P370 WeakPolarHBondContact O-CD 3.32Å; I366-L394 HydrophobicContact CG2-CD1 4.15Å
367	C	94.7	Very high	88.6	Confident	6 Å²	6	45.6 Å²	45.6	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-37.9	173.1	179.3	0	0	0	0	111.9	F338 C363 Q364 S369 C380 L383 L394	F338-C367 HydrophobicContact CE1-CB 4.49Å; F338-C367 HydrophobicContact CZ-CB 4.33Å; C363-C367 PolarHBondContact O-N 2.89Å; Q364-C367 PolarHBondContact O-N 2.89Å; Q364-C367 VanDerWaalsContact O-N 3.1Å; C367-S369 VanDerWaalsContact C-N 3.28Å; C367-S369 PolarHBondContact O-N 3.16Å; C367-C380 VanDerWaalsContact CA-SG 3.59Å; C367-C380 HydrophobicContact CB-CB 3.99Å; C367-C380 WeakPolarHBondContact CB-SG 3.42Å; C367-C380 VanDerWaalsContact O-CB 3.24Å; C367-C380 WeakPolarHBondContact O-CB 3.44Å; C367-C380 WeakPolarHBondContact SG-CB 3.42Å; C367-C380 CovalentContact SG-SG 2.04Å; C367-C380 PolarHBondContact SG-SG 2.76Å; C367-L383 HydrophobicContact CB-CB 4.48Å; C367-L383 HydrophobicContact CB-CD2 3.49Å; C367-L383 VanDerWaalsContact CB-CD2 3.49Å; C367-L394 HydrophobicContact CB-CD2 3.98Å
368	L	91.3	Very high	88.6	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-25.3	173	-66.1	171.1	0	0	0	112.9	Y326 S328 A330 F338 Q364 I366 I420	Y326-L368 HydrophobicContact CD1-CD1 4.02Å; Y326-L368 HydrophobicContact CD2-CD1 4.07Å; Y326-L368 HydrophobicContact CE1-CD1 4.47Å; Y326-L368 HydrophobicContact CE2-CD1 4.49Å; Y326-L368 HydrophobicContact CG-CD1 3.81Å; S328-L368 WeakPolarHBondContact OG-CB 3.47Å; S328-L368 PolarHBondContact OG-O 2.71Å; A330-L368 VanDerWaalsContact CB-O 3.29Å; A330-L368 WeakPolarHBondContact CB-O 3.03Å; F338-L368 HydrophobicContact CE2-CD1 4.02Å; F338-L368 HydrophobicContact CE2-CD2 4.1Å; F338-L368 HydrophobicContact CE2-CG 3.93Å; F338-L368 HydrophobicContact CZ-CD2 4.14Å; F338-L368 HydrophobicContact CZ-CG 3.96Å; Q364-L368 WeakPolarHBondContact O-CG 3.47Å; Q364-L368 PolarHBondContact O-N 3.19Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 2.97Å; L368-I420 HydrophobicContact CD2-CD1 3.7Å
369	S	89.3	Confident	89.1	Confident	60 Å²	60	49.7 Å²	49.7	42%	0.42	29%	0.287	S	S	.	.	S	Bend	trans	-146.7	80.8	176.6	-69.9	0	0	0	0	110.8	S328 D365 I366 C367	S328-S369 PolarHBondContact OG-OG 3.31Å; D365-S369 PolarHBondContact O-N 2.94Å; I366-S369 CarbonylContact O-C 3.44Å; I366-S369 PolarHBondContact O-N 2.95Å; C367-S369 VanDerWaalsContact C-N 3.28Å; C367-S369 PolarHBondContact O-N 3.16Å
370	P	90.7	Very high	89.5	Confident	41 Å²	41	48.9 Å²	48.9	27%	0.266	28%	0.281	S	S	.	.			trans	-59.5	150.5	-174.5	-27.8	37.5	0	0	0	112.5	I366 A374 F378 C380	I366-P370 WeakPolarHBondContact O-CA 3.21Å; I366-P370 WeakPolarHBondContact O-CD 3.32Å; P370-A374 HydrophobicContact CB-CB 4.43Å; P370-F378 HydrophobicContact CB-CD1 3.59Å; P370-F378 HydrophobicContact CB-CE1 3.87Å; P370-F378 HydrophobicContact CG-CD1 3.67Å; P370-F378 HydrophobicContact CG-CE1 3.75Å; P370-C380 HydrophobicContact CG-CB 4.31Å
371	P	88.2	Confident	89.6	Confident	34 Å²	34	50.9 Å²	50.9	22%	0.221	29%	0.291	C	S	.	.			trans	-61.8	149.4	174.8	27.3	-33.4	0	0	0	110.3	Y352 I354 E373 A374	Y352-P371 HydrophobicContact CD1-CG 4.15Å; Y352-P371 HydrophobicContact CE1-CG 3.43Å; Y352-P371 VanDerWaalsContact CE1-CG 3.43Å; I354-P371 HydrophobicContact CD1-CG 4.31Å; P371-E373 HydrophobicContact CB-CB 4.4Å; P371-E373 WeakPolarHBondContact CB-OE2 3.2Å; P371-E373 PolarHBondContact O-N 2.98Å; P371-E373 VanDerWaalsContact O-N 3.14Å; P371-A374 HydrophobicContact CG-CB 4.29Å; P371-A374 WeakPolarHBondContact O-CB 3.38Å; P371-A374 PolarHBondContact O-N 2.84Å
372	V	86.9	Confident	89.8	Confident	124 Å²	124	49.6 Å²	49.6	75%	0.752	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-64.2	-21.7	179.7	-63.6	0	0	0	0	111.9	A374 G375	V372-A374 PolarHBondContact O-N 3.49Å; V372-G375 PolarHBondContact O-N 3.13Å; V372-G375 VanDerWaalsContact O-N 3.14Å
373	E	88.2	Confident	90.2	Very high	135 Å²	135	45.5 Å²	45.5	63%	0.631	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-64.3	-19.4	171.9	-65.8	75.8	-170.6	0	0	113.8	Y352 P371 G375	Y352-E373 VanDerWaalsContact OH-CB 3.32Å; Y352-E373 WeakPolarHBondContact OH-CB 3.36Å; P371-E373 HydrophobicContact CB-CB 4.4Å; P371-E373 WeakPolarHBondContact CB-OE2 3.2Å; P371-E373 PolarHBondContact O-N 2.98Å; P371-E373 VanDerWaalsContact O-N 3.14Å; E373-G375 VanDerWaalsContact C-N 3.3Å
374	A	85.6	Confident	90.2	Very high	21 Å²	21	45.8 Å²	45.8	17%	0.174	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-80	-10.2	171.9	0	0	0	0	0	113.2	Y352 P370 P371 V372 F378	Y352-A374 HydrophobicContact CD1-CB 4.26Å; Y352-A374 HydrophobicContact CD2-CB 3.85Å; Y352-A374 HydrophobicContact CE1-CB 4.46Å; Y352-A374 HydrophobicContact CE2-CB 4.08Å; Y352-A374 HydrophobicContact CG-CB 3.94Å; P370-A374 HydrophobicContact CB-CB 4.43Å; P371-A374 HydrophobicContact CG-CB 4.29Å; P371-A374 WeakPolarHBondContact O-CB 3.38Å; P371-A374 PolarHBondContact O-N 2.84Å; V372-A374 PolarHBondContact O-N 3.49Å; A374-F378 HydrophobicContact CB-CB 4.21Å; A374-F378 HydrophobicContact CB-CD1 3.91Å; A374-F378 HydrophobicContact CB-CE1 4.48Å; A374-F378 HydrophobicContact CB-CG 3.96Å; A374-F378 WeakPolarHBondContact O-CB 3.37Å
375	G	84.1	Confident	90.2	Very high	39 Å²	39	46 Å²	46	40%	0.402	27%	0.267	S	S	.	.			trans	101	149.8	-176	0	0	0	0	0	113.2	V372 E373 D377 F378	V372-G375 PolarHBondContact O-N 3.13Å; V372-G375 VanDerWaalsContact O-N 3.14Å; E373-G375 VanDerWaalsContact C-N 3.3Å; G375-D377 PolarHBondContact O-N 3.05Å; G375-F378 WeakPolarHBondContact O-CB 3.23Å; G375-F378 PolarHBondContact O-N 2.99Å
376	S	78.8	Confident	90.3	Very high	105 Å²	105	47.1 Å²	47.1	73%	0.734	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.8	-177.3	46.5	0	0	0	0	114.2
377	D	83.3	Confident	89.9	Confident	149 Å²	149	47.8 Å²	47.8	80%	0.797	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	0.6	-170.3	-64.5	38.5	0	0	0	111	G375 K379	G375-D377 PolarHBondContact O-N 3.05Å; D377-K379 PolarHBondContact O-N 2.68Å
378	F	88.8	Confident	89.5	Confident	37 Å²	37	52 Å²	52	16%	0.162	29%	0.294	C	S	.	.			trans	-71.3	118.4	178.5	178.4	-94	0	0	0	111.5	A351 P370 A374 G375 C380 L394 T396	A351-F378 HydrophobicContact CB-CE2 3.8Å; P370-F378 HydrophobicContact CB-CD1 3.59Å; P370-F378 HydrophobicContact CB-CE1 3.87Å; P370-F378 HydrophobicContact CG-CD1 3.67Å; P370-F378 HydrophobicContact CG-CE1 3.75Å; A374-F378 HydrophobicContact CB-CB 4.21Å; A374-F378 HydrophobicContact CB-CD1 3.91Å; A374-F378 HydrophobicContact CB-CE1 4.48Å; A374-F378 HydrophobicContact CB-CG 3.96Å; A374-F378 WeakPolarHBondContact O-CB 3.37Å; G375-F378 WeakPolarHBondContact O-CB 3.23Å; G375-F378 PolarHBondContact O-N 2.99Å; F378-C380 HydrophobicContact CE1-CB 3.98Å; F378-C380 HydrophobicContact CZ-CB 4.42Å; F378-L394 HydrophobicContact CE1-CB 4.19Å; F378-L394 HydrophobicContact CE1-CD1 3.98Å; F378-L394 HydrophobicContact CZ-CB 3.69Å; F378-L394 HydrophobicContact CZ-CD1 4.27Å; F378-T396 HydrophobicContact CD2-CG2 3.9Å; F378-T396 HydrophobicContact CE2-CG2 3.62Å; F378-T396 HydrophobicContact CZ-CG2 4.49Å
379	K	88.2	Confident	89.3	Confident	106 Å²	106	55 Å²	55	46%	0.461	31%	0.308	S	S	.	.			trans	-111	112.6	170.9	-170.8	-169.8	-177.6	-164.7	0	109.4	D377 M381 L423	D377-K379 PolarHBondContact O-N 2.68Å; K379-M381 HydrophobicContact CD-CG 4.4Å; K379-M381 HydrophobicContact CG-CG 4.48Å; K379-M381 PolarHBondContact O-N 3.4Å; K379-L423 PolarHBondContact NZ-O 3.37Å
380	C	92.8	Very high	89.3	Confident	6 Å²	6	53 Å²	53	4%	0.041	29%	0.292	C	S	.	.			trans	-63.2	130.9	168	-169	0	0	0	0	109.7	C367 P370 F378 S382	C367-C380 VanDerWaalsContact CA-SG 3.59Å; C367-C380 HydrophobicContact CB-CB 3.99Å; C367-C380 WeakPolarHBondContact CB-SG 3.42Å; C367-C380 VanDerWaalsContact O-CB 3.24Å; C367-C380 WeakPolarHBondContact O-CB 3.44Å; C367-C380 WeakPolarHBondContact SG-CB 3.42Å; C367-C380 CovalentContact SG-SG 2.04Å; C367-C380 PolarHBondContact SG-SG 2.76Å; P370-C380 HydrophobicContact CG-CB 4.31Å; F378-C380 HydrophobicContact CE1-CB 3.98Å; F378-C380 HydrophobicContact CZ-CB 4.42Å; C380-S382 PolarHBondContact SG-O 3.25Å; C380-S382 VanDerWaalsContact SG-O 3.33Å
381	M	92.5	Very high	89.5	Confident	46 Å²	46	53 Å²	53	23%	0.227	29%	0.29	C	S	.	.			trans	-121.5	-25.3	176.5	-67.3	-174.8	56.3	0	0	112.5	K379 N395 T396 T398 I420 L423	K379-M381 HydrophobicContact CD-CG 4.4Å; K379-M381 HydrophobicContact CG-CG 4.48Å; K379-M381 PolarHBondContact O-N 3.4Å; M381-N395 PolarHBondContact N-O 3.13Å; M381-T396 VanDerWaalsContact SD-O 3.4Å; M381-T398 HydrophobicContact CB-CG2 3.9Å; M381-T398 HydrophobicContact CE-CG2 4.14Å; M381-I420 VanDerWaalsContact O-CG2 3.28Å; M381-I420 WeakPolarHBondContact O-CG2 3.49Å; M381-L423 HydrophobicContact CB-CD1 3.84Å; M381-L423 HydrophobicContact CB-CD2 4.38Å; M381-L423 HydrophobicContact CE-CD1 4.07Å; M381-L423 HydrophobicContact CG-CD1 4.02Å; M381-L423 HydrophobicContact CG-CD2 3.98Å
382	S	95.5	Very high	89.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	169.7	161.9	62	0	0	0	0	110.3	C380 N395 E397 Y417 F418	C380-S382 PolarHBondContact SG-O 3.25Å; C380-S382 VanDerWaalsContact SG-O 3.33Å; S382-N395 PolarHBondContact N-O 2.9Å; S382-N395 PolarHBondContact O-N 3.28Å; S382-N395 WeakPolarHBondContact OG-CB 3.3Å; S382-N395 PolarHBondContact OG-ND2 2.89Å; S382-E397 WeakPolarHBondContact CB-O 3.09Å; S382-E397 PolarHBondContact N-O 2.95Å; S382-E397 PolarHBondContact OG-O 3Å; S382-Y417 VanDerWaalsContact CB-CE2 3.48Å; S382-Y417 VanDerWaalsContact CB-CZ 3.43Å; S382-Y417 WeakPolarHBondContact CB-OH 3.49Å; S382-Y417 VanDerWaalsContact OG-CE2 3.3Å; S382-Y417 WeakPolarHBondContact OG-CE2 3.34Å; S382-Y417 PolarHBondContact OG-OH 2.76Å; S382-F418 CarbonylContact C-O 3.57Å; S382-F418 VanDerWaalsContact CA-O 3.26Å; S382-F418 WeakPolarHBondContact CA-O 3.42Å; S382-F418 VanDerWaalsContact CB-O 3.28Å; S382-F418 WeakPolarHBondContact CB-O 3.48Å
383	L	97	Very high	90.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	163	172.1	67.2	87.9	0	0	0	110.6	F338 Q364 C367 I393 L394 F418	F338-L383 HydrophobicContact CE1-CD2 3.84Å; F338-L383 HydrophobicContact CZ-CD2 4.32Å; Q364-L383 HydrophobicContact CB-CD2 4.37Å; Q364-L383 HydrophobicContact CG-CD2 3.96Å; C367-L383 HydrophobicContact CB-CB 4.48Å; C367-L383 HydrophobicContact CB-CD2 3.49Å; C367-L383 VanDerWaalsContact CB-CD2 3.49Å; L383-I393 CarbonylContact C-O 3.53Å; L383-I393 WeakPolarHBondContact CA-O 3.42Å; L383-I393 VanDerWaalsContact CB-O 3.31Å; L383-I393 WeakPolarHBondContact CB-O 3.19Å; L383-L394 HydrophobicContact CB-CD2 4.03Å; L383-F418 HydrophobicContact CD1-CB 4Å; L383-F418 HydrophobicContact CD1-CD2 3.39Å; L383-F418 HydrophobicContact CD1-CE2 4.13Å; L383-F418 HydrophobicContact CD1-CG 3.99Å; L383-F418 HydrophobicContact CG-CB 4.05Å; L383-F418 HydrophobicContact CG-CD2 4.35Å; L383-F418 PolarHBondContact N-O 3.31Å; L383-F418 PolarHBondContact O-N 3.5Å
384	M	96.7	Very high	90.7	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.5	165.7	-60.2	170.1	-64.2	0	0	108.3	L345 L346 Y386 I393 V415 D416 Y417	L345-M384 HydrophobicContact CB-SD 3.65Å; L346-M384 HydrophobicContact CB-SD 4.18Å; L346-M384 PolarHBondContact N-SD 3.48Å; M384-Y386 HydrophobicContact CB-CE2 4.24Å; M384-I393 HydrophobicContact CB-CB 4.35Å; M384-I393 HydrophobicContact CE-CB 3.99Å; M384-I393 HydrophobicContact CE-CD1 4.26Å; M384-I393 HydrophobicContact CE-CG2 3.65Å; M384-I393 PolarHBondContact N-O 3.03Å; M384-I393 PolarHBondContact O-N 2.99Å; M384-V415 HydrophobicContact CB-CG2 4.18Å; M384-D416 CarbonylContact C-O 3.59Å; M384-D416 VanDerWaalsContact CA-O 3.32Å; M384-D416 WeakPolarHBondContact CA-O 3.37Å; M384-Y417 HydrophobicContact CG-CD2 3.93Å
385	Y	95.6	Very high	91.1	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.8	175.3	-175.6	-98.1	0	0	0	110.3	V357 S359 V360 C363 Y387 D391 C392 V415 D416	V357-Y385 HydrophobicContact CB-CE2 4.29Å; V357-Y385 HydrophobicContact CG1-CE2 4.23Å; V357-Y385 WeakPolarHBondContact O-CE2 3.41Å; V357-Y385 PolarHBondContact O-OH 2.91Å; S359-Y385 PolarHBondContact N-OH 3.19Å; V360-Y385 HydrophobicContact CB-CD1 4.46Å; V360-Y385 HydrophobicContact CG2-CD1 3.42Å; V360-Y385 VanDerWaalsContact CG2-CD1 3.42Å; V360-Y385 HydrophobicContact CG2-CE1 3.88Å; V360-Y385 HydrophobicContact CG2-CG 3.96Å; C363-Y385 HydrophobicContact CB-CD2 3.82Å; C363-Y385 HydrophobicContact CB-CE2 4.46Å; Y385-Y387 AromaticContact CD1-CD1 3.87Å; Y385-Y387 HydrophobicContact CD1-CD1 3.87Å; Y385-Y387 HydrophobicContact CD1-CD2 4.23Å; Y385-Y387 AromaticContact CD1-CE1 3.89Å; Y385-Y387 HydrophobicContact CD1-CE1 3.89Å; Y385-Y387 HydrophobicContact CD1-CE2 4.29Å; Y385-Y387 HydrophobicContact CD1-CG 4.05Å; Y385-Y387 AromaticContact CE1-CD1 3.59Å; Y385-Y387 HydrophobicContact CE1-CD1 3.59Å; Y385-Y387 AromaticContact CE1-CE1 3.91Å; Y385-Y387 HydrophobicContact CE1-CE1 3.91Å; Y385-Y387 HydrophobicContact CE1-CG 4.01Å; Y385-D391 WeakPolarHBondContact CA-O 3.42Å; Y385-C392 HydrophobicContact CD2-CB 4.36Å; Y385-V415 WeakPolarHBondContact O-CA 3.19Å; Y385-D416 PolarHBondContact N-O 3.45Å; Y385-D416 PolarHBondContact O-N 3Å
386	Y	93.1	Very high	91.5	Very high	37 Å²	37	40 Å²	40	15%	0.145	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.7	176.5	-73.6	-103.5	0	0	0	108.4	M384 L390 D391 I393 F413 V415	M384-Y386 HydrophobicContact CB-CE2 4.24Å; Y386-L390 WeakPolarHBondContact O-CA 3.4Å; Y386-L390 PolarHBondContact O-N 2.7Å; Y386-D391 PolarHBondContact N-O 3.05Å; Y386-D391 PolarHBondContact O-N 3.05Å; Y386-I393 HydrophobicContact CD2-CD1 4.21Å; Y386-I393 HydrophobicContact CD2-CG1 4.46Å; Y386-I393 HydrophobicContact CE2-CD1 3.7Å; Y386-I393 HydrophobicContact CE2-CG1 4.33Å; Y386-F413 HydrophobicContact CD1-CB 4.23Å; Y386-F413 HydrophobicContact CE1-CB 4.13Å; Y386-F413 HydrophobicContact CE1-CG 4.37Å; Y386-V415 HydrophobicContact CD1-CB 3.93Å; Y386-V415 HydrophobicContact CD1-CG2 4.14Å; Y386-V415 HydrophobicContact CD2-CB 4.44Å; Y386-V415 HydrophobicContact CD2-CG2 3.79Å; Y386-V415 HydrophobicContact CE1-CB 3.83Å; Y386-V415 HydrophobicContact CE1-CG1 4.34Å; Y386-V415 HydrophobicContact CE1-CG2 3.91Å; Y386-V415 HydrophobicContact CE2-CB 4.34Å; Y386-V415 HydrophobicContact CE2-CG2 3.52Å; Y386-V415 HydrophobicContact CG-CB 4.23Å; Y386-V415 HydrophobicContact CG-CG2 4.08Å
387	Y	87.4	Confident	92.2	Very high	36 Å²	36	37 Å²	37	14%	0.141	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-32.6	-169	-75.6	-86.9	0	0	0	114	P306 V360 Y385 K414 D416	P306-Y387 HydrophobicContact CB-CE1 4.5Å; P306-Y387 HydrophobicContact CG-CD1 3.61Å; P306-Y387 HydrophobicContact CG-CD2 4.25Å; P306-Y387 HydrophobicContact CG-CE1 3.21Å; P306-Y387 HydrophobicContact CG-CE2 3.89Å; P306-Y387 HydrophobicContact CG-CG 4.11Å; V360-Y387 HydrophobicContact CG2-CD1 4.49Å; V360-Y387 HydrophobicContact CG2-CE1 3.46Å; V360-Y387 VanDerWaalsContact CG2-CE1 3.46Å; V360-Y387 WeakPolarHBondContact CG2-OH 3.48Å; Y385-Y387 AromaticContact CD1-CD1 3.87Å; Y385-Y387 HydrophobicContact CD1-CD1 3.87Å; Y385-Y387 HydrophobicContact CD1-CD2 4.23Å; Y385-Y387 AromaticContact CD1-CE1 3.89Å; Y385-Y387 HydrophobicContact CD1-CE1 3.89Å; Y385-Y387 HydrophobicContact CD1-CE2 4.29Å; Y385-Y387 HydrophobicContact CD1-CG 4.05Å; Y385-Y387 AromaticContact CE1-CD1 3.59Å; Y385-Y387 HydrophobicContact CE1-CD1 3.59Å; Y385-Y387 AromaticContact CE1-CE1 3.91Å; Y385-Y387 HydrophobicContact CE1-CE1 3.91Å; Y385-Y387 HydrophobicContact CE1-CG 4.01Å; Y387-K414 HydrophobicContact CD2-CG 3.99Å; Y387-K414 WeakPolarHBondContact CD2-O 3.31Å; Y387-K414 HydrophobicContact CG-CD 4.48Å; Y387-K414 HydrophobicContact CG-CG 4.41Å; Y387-K414 PolarHBondContact N-O 2.81Å; Y387-D416 HydrophobicContact CE2-CB 4.03Å; Y387-D416 VanDerWaalsContact CE2-OD2 3.26Å; Y387-D416 WeakPolarHBondContact CE2-OD2 3.43Å; Y387-D416 PolarHBondContact OH-OD2 2.68Å
388	D	85.7	Confident	92.6	Very high	95 Å²	95	30.5 Å²	30.5	51%	0.508	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-34.2	-173.7	-56.1	-47	0	0	0	110.5	K414	D388-K414 WeakPolarHBondContact OD2-CB 3.35Å
389	E	87.8	Confident	92.8	Very high	74 Å²	74	30.8 Å²	30.8	35%	0.346	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-26.5	172.2	-65	66.4	-147.9	0	0	113.6	D391 F413	E389-D391 VanDerWaalsContact C-N 3.27Å; E389-D391 HydrophobicContact CB-CB 4.32Å; E389-F413 VanDerWaalsContact OE1-CD1 3.31Å; E389-F413 WeakPolarHBondContact OE1-CD1 3.34Å; E389-F413 WeakPolarHBondContact OE1-CE1 3.49Å
390	L	89	Confident	93	Very high	17 Å²	17	30.9 Å²	30.9	9%	0.089	16%	0.16	C	C	.	.			trans	68.8	19.3	-171	-48.3	159	0	0	0	114.3	N356 V357 Y386	N356-L390 PolarHBondContact N-O 3Å; V357-L390 PolarHBondContact N-O 3.24Å; Y386-L390 WeakPolarHBondContact O-CA 3.4Å; Y386-L390 PolarHBondContact O-N 2.7Å
391	D	94.1	Very high	92.9	Very high	42 Å²	42	34.3 Å²	34.3	23%	0.225	18%	0.178	C	C	.	.			trans	-82.2	126.6	-177.4	-75.7	-5.8	0	0	0	111.7	E355 Y385 Y386 E389	E355-D391 VanDerWaalsContact CA-OD1 3.28Å; E355-D391 WeakPolarHBondContact CA-OD1 3.47Å; Y385-D391 WeakPolarHBondContact CA-O 3.42Å; Y386-D391 PolarHBondContact N-O 3.05Å; Y386-D391 PolarHBondContact O-N 3.05Å; E389-D391 VanDerWaalsContact C-N 3.27Å; E389-D391 HydrophobicContact CB-CB 4.32Å
392	C	96.3	Very high	93	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	109	173.6	175.1	0	0	0	0	109.3	I354 V357 C363 Y385	I354-C392 HydrophobicContact CB-CB 4.24Å; I354-C392 PolarHBondContact N-O 2.93Å; I354-C392 PolarHBondContact O-N 3.17Å; V357-C392 HydrophobicContact CB-CB 3.78Å; V357-C392 HydrophobicContact CG1-CB 4.08Å; V357-C392 HydrophobicContact CG2-CB 3.59Å; C363-C392 WeakPolarHBondContact CA-SG 3.3Å; C363-C392 HydrophobicContact CB-CB 3.73Å; C363-C392 WeakPolarHBondContact CB-SG 3.49Å; C363-C392 VanDerWaalsContact SG-CA 3.55Å; C363-C392 WeakPolarHBondContact SG-CB 3.38Å; C363-C392 CovalentContact SG-SG 2.03Å; C363-C392 PolarHBondContact SG-SG 2.95Å; Y385-C392 HydrophobicContact CD2-CB 4.36Å
393	I	96.6	Very high	92.9	Very high	22 Å²	22	38.2 Å²	38.2	11%	0.113	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	179.1	-54	-169.9	0	0	0	109	A350 V353 L383 M384 Y386	A350-I393 HydrophobicContact CB-CG2 3.43Å; A350-I393 VanDerWaalsContact CB-CG2 3.43Å; V353-I393 HydrophobicContact CG1-CG1 4.3Å; V353-I393 HydrophobicContact CG2-CD1 4.43Å; V353-I393 HydrophobicContact CG2-CG1 4.16Å; V353-I393 HydrophobicContact CG2-CG2 4.27Å; L383-I393 CarbonylContact C-O 3.53Å; L383-I393 WeakPolarHBondContact CA-O 3.42Å; L383-I393 VanDerWaalsContact CB-O 3.31Å; L383-I393 WeakPolarHBondContact CB-O 3.19Å; M384-I393 HydrophobicContact CB-CB 4.35Å; M384-I393 HydrophobicContact CE-CB 3.99Å; M384-I393 HydrophobicContact CE-CD1 4.26Å; M384-I393 HydrophobicContact CE-CG2 3.65Å; M384-I393 PolarHBondContact N-O 3.03Å; M384-I393 PolarHBondContact O-N 2.99Å; Y386-I393 HydrophobicContact CD2-CD1 4.21Å; Y386-I393 HydrophobicContact CD2-CG1 4.46Å; Y386-I393 HydrophobicContact CE2-CD1 3.7Å; Y386-I393 HydrophobicContact CE2-CG1 4.33Å
394	L	96	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.9	176.6	-47.3	-179.6	0	0	0	110.1	A351 Y352 I354 I366 C367 F378 L383	A351-L394 PolarHBondContact N-O 3.34Å; Y352-L394 HydrophobicContact CD1-CD1 4.2Å; Y352-L394 PolarHBondContact N-O 2.93Å; Y352-L394 VanDerWaalsContact N-O 3.11Å; Y352-L394 PolarHBondContact O-N 2.99Å; I354-L394 HydrophobicContact CD1-CD1 4.31Å; I366-L394 HydrophobicContact CG2-CD1 4.15Å; C367-L394 HydrophobicContact CB-CD2 3.98Å; F378-L394 HydrophobicContact CE1-CB 4.19Å; F378-L394 HydrophobicContact CE1-CD1 3.98Å; F378-L394 HydrophobicContact CZ-CB 3.69Å; F378-L394 HydrophobicContact CZ-CD1 4.27Å; L383-L394 HydrophobicContact CB-CD2 4.03Å
395	N	94.1	Very high	92.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.4	-177.4	-46.1	-46.9	0	0	0	111	L346 Y349 A350 M381 S382 E397	L346-N395 HydrophobicContact CD2-CB 4.47Å; Y349-N395 WeakPolarHBondContact O-CA 3.35Å; Y349-N395 WeakPolarHBondContact O-CB 3.42Å; Y349-N395 PolarHBondContact O-OD1 2.9Å; A350-N395 WeakPolarHBondContact CA-OD1 3.15Å; M381-N395 PolarHBondContact N-O 3.13Å; S382-N395 PolarHBondContact N-O 2.9Å; S382-N395 PolarHBondContact O-N 3.28Å; S382-N395 WeakPolarHBondContact OG-CB 3.3Å; S382-N395 PolarHBondContact OG-ND2 2.89Å; N395-E397 VanDerWaalsContact C-N 3.27Å
396	T	92.3	Very high	92.6	Very high	59 Å²	59	50.1 Å²	50.1	36%	0.362	26%	0.263	S	S	.	.	S	Bend	trans	-88.9	10.8	170.1	53	0	0	0	0	113.1	A351 F378 M381	A351-T396 HydrophobicContact CB-CG2 4.01Å; F378-T396 HydrophobicContact CD2-CG2 3.9Å; F378-T396 HydrophobicContact CE2-CG2 3.62Å; F378-T396 HydrophobicContact CZ-CG2 4.49Å; M381-T396 VanDerWaalsContact SD-O 3.4Å
397	E	92.5	Very high	92.6	Very high	40 Å²	40	51.2 Å²	51.2	19%	0.187	27%	0.274	C	S	.	.			trans	-136	174.7	-172.5	-60.5	-78.6	-151.2	0	0	109.9	L346 Y349 S382 N395 N401 K402	L346-E397 HydrophobicContact CD2-CB 4.32Å; Y349-E397 HydrophobicContact CD1-CB 4.35Å; Y349-E397 HydrophobicContact CD1-CG 3.72Å; Y349-E397 HydrophobicContact CD2-CB 4.36Å; Y349-E397 HydrophobicContact CE1-CG 4.3Å; Y349-E397 HydrophobicContact CG-CB 3.98Å; Y349-E397 HydrophobicContact CG-CG 3.87Å; S382-E397 WeakPolarHBondContact CB-O 3.09Å; S382-E397 PolarHBondContact N-O 2.95Å; S382-E397 PolarHBondContact OG-O 3Å; N395-E397 VanDerWaalsContact C-N 3.27Å; E397-N401 PolarHBondContact OE2-ND2 3.03Å; E397-K402 HydrophobicContact CB-CG 3.96Å; E397-K402 HydrophobicContact CG-CG 4.41Å; E397-K402 WeakPolarHBondContact OE1-CE 3.31Å; E397-K402 IonicContact OE1-NZ 2.72Å; E397-K402 PolarHBondContact OE1-NZ 3.04Å; E397-K402 WeakPolarHBondContact OE2-CE 3.13Å; E397-K402 IonicContact OE2-NZ 3.81Å
398	T	92.7	Very high	92.9	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.08	30%	0.297	C	S	.	.			trans	-140.9	162.2	-174.5	65.1	0	0	0	0	112.4	M381 V400 N401 K402 Y417 L423	M381-T398 HydrophobicContact CB-CG2 3.9Å; M381-T398 HydrophobicContact CE-CG2 4.14Å; T398-V400 PolarHBondContact O-N 2.84Å; T398-V400 PolarHBondContact OG1-N 2.97Å; T398-N401 WeakPolarHBondContact CA-OD1 3.17Å; T398-N401 PolarHBondContact N-OD1 2.92Å; T398-N401 PolarHBondContact O-N 2.8Å; T398-N401 PolarHBondContact O-OD1 2.69Å; T398-N401 PolarHBondContact OG1-N 3Å; T398-N401 PolarHBondContact OG1-OD1 3.06Å; T398-K402 WeakPolarHBondContact O-CB 3.26Å; T398-K402 PolarHBondContact O-N 2.81Å; T398-Y417 WeakPolarHBondContact CA-OH 3.46Å; T398-L423 HydrophobicContact CG2-CD1 4.22Å
399	H	92.9	Very high	93	Very high	43 Å²	43	53.4 Å²	53.4	20%	0.199	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.7	169.4	76	-109.8	0	0	0	112.9	H341 K402 P403 F406 Y417	H341-H399 AromaticContact CE1-CE1 3.56Å; H341-H399 AromaticContact CE1-ND1 3.9Å; H341-H399 AromaticContact NE2-CE1 3.27Å; H341-H399 PolarHBondContact NE2-CE1 3Å; H341-H399 VanDerWaalsContact NE2-CE1 3.27Å; H341-H399 AromaticContact NE2-ND1 3.5Å; H341-H399 PolarHBondContact NE2-ND1 2.98Å; H399-K402 CarbonylContact O-C 3.31Å; H399-P403 VanDerWaalsContact O-CA 3.27Å; H399-P403 WeakPolarHBondContact O-CA 3.28Å; H399-P403 VanDerWaalsContact O-N 3.16Å; H399-F406 HydrophobicContact CB-CB 3.87Å; H399-F406 HydrophobicContact CB-CD1 3.69Å; H399-F406 HydrophobicContact CB-CD2 3.65Å; H399-F406 HydrophobicContact CB-CE1 4.08Å; H399-F406 HydrophobicContact CB-CE2 4.06Å; H399-F406 HydrophobicContact CB-CG 3.44Å; H399-F406 VanDerWaalsContact CB-CG 3.44Å; H399-F406 HydrophobicContact CB-CZ 4.25Å; H399-Y417 HydrophobicContact CB-CE1 4.33Å; H399-Y417 PolarHBondContact N-OH 2.99Å; H399-Y417 AromaticContact ND1-CE1 3.62Å
400	V	91.7	Very high	92.5	Very high	109 Å²	109	55 Å²	55	66%	0.661	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-42.1	-177.4	-177.1	0	0	0	0	111.5	T398	T398-V400 PolarHBondContact O-N 2.84Å; T398-V400 PolarHBondContact OG1-N 2.97Å
401	N	92.1	Very high	91.8	Very high	77 Å²	77	61.6 Å²	61.6	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7	180	73.6	-19.7	0	0	0	113.9	E397 T398	E397-N401 PolarHBondContact OE2-ND2 3.03Å; T398-N401 WeakPolarHBondContact CA-OD1 3.17Å; T398-N401 PolarHBondContact N-OD1 2.92Å; T398-N401 PolarHBondContact O-N 2.8Å; T398-N401 PolarHBondContact O-OD1 2.69Å; T398-N401 PolarHBondContact OG1-N 3Å; T398-N401 PolarHBondContact OG1-OD1 3.06Å
402	K	93.5	Very high	90.7	Very high	51 Å²	51	63.4 Å²	63.4	22%	0.222	36%	0.36	C	S	.	.			trans	-133.7	52.6	174.9	-54.1	-64.7	-176.8	179	0	113.1	L346 Y349 E397 T398 H399 D404 L405 F406	L346-K402 HydrophobicContact CD1-CB 3.89Å; Y349-K402 HydrophobicContact CD2-CB 4.24Å; Y349-K402 HydrophobicContact CD2-CD 4.34Å; Y349-K402 HydrophobicContact CD2-CG 3.86Å; Y349-K402 HydrophobicContact CE1-CD 4.37Å; Y349-K402 HydrophobicContact CE2-CB 3.83Å; Y349-K402 HydrophobicContact CE2-CD 3.51Å; Y349-K402 HydrophobicContact CE2-CG 3.47Å; Y349-K402 VanDerWaalsContact CE2-CG 3.47Å; E397-K402 HydrophobicContact CB-CG 3.96Å; E397-K402 HydrophobicContact CG-CG 4.41Å; E397-K402 WeakPolarHBondContact OE1-CE 3.31Å; E397-K402 IonicContact OE1-NZ 2.72Å; E397-K402 PolarHBondContact OE1-NZ 3.04Å; E397-K402 WeakPolarHBondContact OE2-CE 3.13Å; E397-K402 IonicContact OE2-NZ 3.81Å; T398-K402 WeakPolarHBondContact O-CB 3.26Å; T398-K402 PolarHBondContact O-N 2.81Å; H399-K402 CarbonylContact O-C 3.31Å; K402-D404 VanDerWaalsContact C-N 3.29Å; K402-D404 PolarHBondContact O-N 3.19Å; K402-L405 PolarHBondContact O-N 2.9Å; K402-F406 PolarHBondContact O-N 2.66Å
403	P	94.1	Very high	90.1	Very high	77 Å²	77	68.2 Å²	68.2	50%	0.5	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-60.5	-37.3	-174.1	25.5	-35.1	0	0	0	112.8	H399 L405 F406	H399-P403 VanDerWaalsContact O-CA 3.27Å; H399-P403 WeakPolarHBondContact O-CA 3.28Å; H399-P403 VanDerWaalsContact O-N 3.16Å; P403-L405 PolarHBondContact O-N 2.96Å; P403-L405 VanDerWaalsContact O-N 3.08Å; P403-F406 PolarHBondContact O-N 2.81Å; P403-F406 VanDerWaalsContact O-N 3.16Å
404	D	93.3	Very high	89.7	Confident	155 Å²	155	70.8 Å²	70.8	83%	0.829	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-65.9	-11.6	-178.3	-52.7	-44.6	0	0	0	114.4	K402	K402-D404 VanDerWaalsContact C-N 3.29Å; K402-D404 PolarHBondContact O-N 3.19Å
405	L	92.9	Very high	89.5	Confident	64 Å²	64	70.8 Å²	70.8	34%	0.335	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-120.6	5.5	-179.6	-69.4	168.1	0	0	0	112.5	L346 V347 Y349 K402 P403	L346-L405 HydrophobicContact CD1-CB 4.4Å; V347-L405 HydrophobicContact CB-CB 4.34Å; V347-L405 HydrophobicContact CB-CD2 4.13Å; V347-L405 HydrophobicContact CG1-CD2 4.38Å; V347-L405 PolarHBondContact N-O 2.87Å; Y349-L405 HydrophobicContact CE2-CB 4.23Å; Y349-L405 HydrophobicContact CE2-CD1 3.51Å; K402-L405 PolarHBondContact O-N 2.9Å; P403-L405 PolarHBondContact O-N 2.96Å; P403-L405 VanDerWaalsContact O-N 3.08Å
406	F	95.7	Very high	89.6	Confident	41 Å²	41	71 Å²	71	18%	0.18	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.2	170.3	179.7	-113.8	0	0	0	109.2	H341 H344 L345 L346 H399 K402 P403 Y417	H341-F406 HydrophobicContact CB-CE2 4.43Å; H341-F406 HydrophobicContact CB-CZ 3.73Å; H341-F406 AromaticContact CG-CZ 3.78Å; H341-F406 AromaticContact ND1-CZ 3.92Å; H344-F406 HydrophobicContact CB-CE2 3.71Å; H344-F406 HydrophobicContact CB-CZ 3.7Å; H344-F406 AromaticContact CD2-CE1 3.56Å; H344-F406 AromaticContact CD2-CZ 3.45Å; H344-F406 VanDerWaalsContact CD2-CZ 3.45Å; H344-F406 WeakPolarHBondContact CD2-CZ 3.45Å; H344-F406 AromaticContact CG-CZ 3.77Å; L345-F406 WeakPolarHBondContact O-CA 3.45Å; L345-F406 WeakPolarHBondContact O-CD2 3.4Å; L346-F406 HydrophobicContact CD1-CB 4.39Å; H399-F406 HydrophobicContact CB-CB 3.87Å; H399-F406 HydrophobicContact CB-CD1 3.69Å; H399-F406 HydrophobicContact CB-CD2 3.65Å; H399-F406 HydrophobicContact CB-CE1 4.08Å; H399-F406 HydrophobicContact CB-CE2 4.06Å; H399-F406 HydrophobicContact CB-CG 3.44Å; H399-F406 VanDerWaalsContact CB-CG 3.44Å; H399-F406 HydrophobicContact CB-CZ 4.25Å; K402-F406 PolarHBondContact O-N 2.66Å; P403-F406 PolarHBondContact O-N 2.81Å; P403-F406 VanDerWaalsContact O-N 3.16Å; F406-Y417 HydrophobicContact CD2-CD1 4.46Å; F406-Y417 HydrophobicContact CD2-CD2 4.38Å; F406-Y417 HydrophobicContact CD2-CG 4.35Å; F406-Y417 AromaticContact CE2-CD1 3.57Å; F406-Y417 HydrophobicContact CE2-CD1 3.57Å; F406-Y417 HydrophobicContact CE2-CD2 4.09Å; F406-Y417 HydrophobicContact CE2-CE1 4.04Å; F406-Y417 HydrophobicContact CE2-CE2 4.47Å; F406-Y417 AromaticContact CE2-CG 3.62Å; F406-Y417 HydrophobicContact CE2-CG 3.62Å; F406-Y417 HydrophobicContact CZ-CD1 4.17Å
407	V	93.9	Very high	89.8	Confident	61 Å²	61	68.2 Å²	68.2	37%	0.37	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.4	-171	-60.3	0	0	0	0	111.5	H344 L345 V347	H344-V407 CarbonylContact C-O 3.58Å; H344-V407 VanDerWaalsContact CA-O 3.32Å; H344-V407 WeakPolarHBondContact CA-O 3.28Å; L345-V407 HydrophobicContact CD1-CG2 3.48Å; L345-V407 VanDerWaalsContact CD1-CG2 3.48Å; L345-V407 HydrophobicContact CG-CG2 4Å; L345-V407 PolarHBondContact N-O 2.82Å; L345-V407 PolarHBondContact O-N 3.03Å; V347-V407 HydrophobicContact CG2-CG2 3.85Å
408	Q	92.9	Very high	90	Very high	134 Å²	134	66.5 Å²	66.5	63%	0.626	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	132.1	168.7	-170	177.7	1.4	0	0	108.9	Q343	Q343-Q408 VanDerWaalsContact O-CG 3.3Å; Q343-Q408 WeakPolarHBondContact O-CG 3.41Å
409	E	88.8	Confident	90	Very high	43 Å²	43	66.4 Å²	66.4	20%	0.201	37%	0.368	C	S	.	.			trans	-86.3	129.2	174.3	-178.8	52.6	-91.3	0	0	109.6	Q343 L345 E411 V415	Q343-E409 WeakPolarHBondContact CG-O 3.11Å; Q343-E409 PolarHBondContact NE2-O 2.88Å; Q343-E409 PolarHBondContact O-N 2.86Å; L345-E409 HydrophobicContact CD2-CB 4.12Å; L345-E409 HydrophobicContact CD2-CG 4.36Å; L345-E409 WeakPolarHBondContact CD2-OE2 3.46Å; E409-E411 PolarHBondContact OE1-N 3.19Å; E409-V415 HydrophobicContact CB-CG1 3.84Å; E409-V415 HydrophobicContact CG-CG1 4.08Å
410	S	77	Confident	90	Very high	106 Å²	106	65.3 Å²	65.3	74%	0.741	36%	0.363	S	S	*	.			trans	-113.3	-21.2	-174.4	54	0	0	0	0	114.4
411	E	74.2	Confident	89.8	Confident	157 Å²	157	61.8 Å²	61.8	73%	0.734	34%	0.342	S	S	*	.	S	Bend	trans	-139.7	146.9	-172.6	-63.1	-168.9	166.6	0	0	112.9	E409 F413	E409-E411 PolarHBondContact OE1-N 3.19Å; E411-F413 VanDerWaalsContact C-N 3.31Å; E411-F413 PolarHBondContact O-N 3.06Å
412	G	71.9	Confident	89.2	Confident	79 Å²	79	59.7 Å²	59.7	81%	0.814	33%	0.333	S	S	*	.	S	Bend	trans	80.8	-57.6	173	0	0	0	0	0	115.6
413	F	83.7	Confident	88.1	Confident	101 Å²	101	58.6 Å²	58.6	44%	0.443	33%	0.329	S	S	.	.			trans	-115	143.3	-163.9	-59.8	-75.4	0	0	0	114.6	Q343 Y386 E389 E411	Q343-F413 PolarHBondContact NE2-O 2.85Å; Y386-F413 HydrophobicContact CD1-CB 4.23Å; Y386-F413 HydrophobicContact CE1-CB 4.13Å; Y386-F413 HydrophobicContact CE1-CG 4.37Å; E389-F413 VanDerWaalsContact OE1-CD1 3.31Å; E389-F413 WeakPolarHBondContact OE1-CD1 3.34Å; E389-F413 WeakPolarHBondContact OE1-CE1 3.49Å; E411-F413 VanDerWaalsContact C-N 3.31Å; E411-F413 PolarHBondContact O-N 3.06Å
414	K	88	Confident	86.3	Confident	77 Å²	77	58.9 Å²	58.9	34%	0.335	33%	0.33	S	S	.	.			trans	-99.8	100.7	173.3	-169	179.2	-179	-179.3	0	109.6	Y387 D388	Y387-K414 HydrophobicContact CD2-CG 3.99Å; Y387-K414 WeakPolarHBondContact CD2-O 3.31Å; Y387-K414 HydrophobicContact CG-CD 4.48Å; Y387-K414 HydrophobicContact CG-CG 4.41Å; Y387-K414 PolarHBondContact N-O 2.81Å; D388-K414 WeakPolarHBondContact OD2-CB 3.35Å
415	V	92.4	Very high	84.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.9	-170.9	58.1	0	0	0	0	111.4	Q343 H344 L345 M384 Y385 Y386 E409	Q343-V415 WeakPolarHBondContact CA-O 3.47Å; Q343-V415 PolarHBondContact N-O 2.98Å; Q343-V415 VanDerWaalsContact N-O 3.1Å; H344-V415 PolarHBondContact N-O 2.84Å; L345-V415 HydrophobicContact CB-CG1 4.48Å; L345-V415 HydrophobicContact CD2-CG1 4.36Å; M384-V415 HydrophobicContact CB-CG2 4.18Å; Y385-V415 WeakPolarHBondContact O-CA 3.19Å; Y386-V415 HydrophobicContact CD1-CB 3.93Å; Y386-V415 HydrophobicContact CD1-CG2 4.14Å; Y386-V415 HydrophobicContact CD2-CB 4.44Å; Y386-V415 HydrophobicContact CD2-CG2 3.79Å; Y386-V415 HydrophobicContact CE1-CB 3.83Å; Y386-V415 HydrophobicContact CE1-CG1 4.34Å; Y386-V415 HydrophobicContact CE1-CG2 3.91Å; Y386-V415 HydrophobicContact CE2-CB 4.34Å; Y386-V415 HydrophobicContact CE2-CG2 3.52Å; Y386-V415 HydrophobicContact CG-CB 4.23Å; Y386-V415 HydrophobicContact CG-CG2 4.08Å; E409-V415 HydrophobicContact CB-CG1 3.84Å; E409-V415 HydrophobicContact CG-CG1 4.08Å
416	D	94.3	Very high	82.5	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.027	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.1	170	-73.4	-20.1	0	0	0	111.3	R340 P342 Q343 M384 Y385 Y387 F418	R340-D416 IonicContact CZ-OD2 2.82Å; R340-D416 IonicContact NE-OD1 2.91Å; R340-D416 IonicContact NE-OD2 3.3Å; R340-D416 PolarHBondContact NE-OD2 3.33Å; R340-D416 IonicContact NH2-OD1 2.84Å; R340-D416 IonicContact NH2-OD2 3.06Å; R340-D416 PolarHBondContact NH2-OD2 3.32Å; P342-D416 WeakPolarHBondContact CA-OD1 3.49Å; Q343-D416 PolarHBondContact N-OD1 2.76Å; M384-D416 CarbonylContact C-O 3.59Å; M384-D416 VanDerWaalsContact CA-O 3.32Å; M384-D416 WeakPolarHBondContact CA-O 3.37Å; Y385-D416 PolarHBondContact N-O 3.45Å; Y385-D416 PolarHBondContact O-N 3Å; Y387-D416 HydrophobicContact CE2-CB 4.03Å; Y387-D416 VanDerWaalsContact CE2-OD2 3.26Å; Y387-D416 WeakPolarHBondContact CE2-OD2 3.43Å; Y387-D416 PolarHBondContact OH-OD2 2.68Å; D416-F418 HydrophobicContact CB-CD2 4.25Å; D416-F418 HydrophobicContact CB-CE2 3.37Å; D416-F418 HydrophobicContact CB-CZ 3.69Å; D416-F418 WeakPolarHBondContact O-CD2 3.41Å; D416-F418 WeakPolarHBondContact O-CE2 3.18Å
417	Y	96.7	Very high	80.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.6	171.4	169.4	-80.6	0	0	0	110.6	H341 H344 L346 S382 M384 T398 H399 F406	H341-Y417 HydrophobicContact CB-CD1 4.17Å; H341-Y417 AromaticContact CD2-CD1 3.65Å; H341-Y417 AromaticContact CD2-CE1 3.89Å; H341-Y417 PolarHBondContact N-O 3.49Å; H341-Y417 PolarHBondContact O-N 2.87Å; H344-Y417 VanDerWaalsContact O-CB 3.29Å; H344-Y417 WeakPolarHBondContact O-CB 3.07Å; H344-Y417 PolarHBondContact O-N 2.73Å; L346-Y417 HydrophobicContact CB-CD2 3.92Å; L346-Y417 HydrophobicContact CB-CE2 3.8Å; L346-Y417 HydrophobicContact CD2-CE2 3.93Å; L346-Y417 HydrophobicContact CG-CE2 4.47Å; S382-Y417 VanDerWaalsContact CB-CE2 3.48Å; S382-Y417 VanDerWaalsContact CB-CZ 3.43Å; S382-Y417 WeakPolarHBondContact CB-OH 3.49Å; S382-Y417 VanDerWaalsContact OG-CE2 3.3Å; S382-Y417 WeakPolarHBondContact OG-CE2 3.34Å; S382-Y417 PolarHBondContact OG-OH 2.76Å; M384-Y417 HydrophobicContact CG-CD2 3.93Å; T398-Y417 WeakPolarHBondContact CA-OH 3.46Å; H399-Y417 HydrophobicContact CB-CE1 4.33Å; H399-Y417 PolarHBondContact N-OH 2.99Å; H399-Y417 AromaticContact ND1-CE1 3.62Å; F406-Y417 HydrophobicContact CD2-CD1 4.46Å; F406-Y417 HydrophobicContact CD2-CD2 4.38Å; F406-Y417 HydrophobicContact CD2-CG 4.35Å; F406-Y417 AromaticContact CE2-CD1 3.57Å; F406-Y417 HydrophobicContact CE2-CD1 3.57Å; F406-Y417 HydrophobicContact CE2-CD2 4.09Å; F406-Y417 HydrophobicContact CE2-CE1 4.04Å; F406-Y417 HydrophobicContact CE2-CE2 4.47Å; F406-Y417 AromaticContact CE2-CG 3.62Å; F406-Y417 HydrophobicContact CE2-CG 3.62Å; F406-Y417 HydrophobicContact CZ-CD1 4.17Å
418	F	96.6	Very high	78.5	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.013	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.1	176.3	-51.2	-111.4	0	0	0	111.5	T248 F338 I339 R340 V360 Q364 S382 L383 D416	T248-F418 HydrophobicContact CG2-CD1 3.9Å; T248-F418 HydrophobicContact CG2-CE1 4.02Å; F338-F418 HydrophobicContact CD1-CB 4.02Å; I339-F418 VanDerWaalsContact O-CA 3.25Å; I339-F418 WeakPolarHBondContact O-CA 3.42Å; R340-F418 HydrophobicContact CB-CD1 3.58Å; R340-F418 HydrophobicContact CB-CE1 3.52Å; R340-F418 HydrophobicContact CB-CZ 4.39Å; R340-F418 HydrophobicContact CG-CD1 4Å; R340-F418 HydrophobicContact CG-CE1 3.52Å; R340-F418 HydrophobicContact CG-CZ 3.91Å; V360-F418 HydrophobicContact CB-CZ 4.46Å; V360-F418 HydrophobicContact CG1-CE1 3.71Å; V360-F418 HydrophobicContact CG1-CE2 3.94Å; V360-F418 HydrophobicContact CG1-CZ 3.32Å; V360-F418 HydrophobicContact CG2-CZ 4.27Å; Q364-F418 VanDerWaalsContact NE2-CD1 3.31Å; S382-F418 CarbonylContact C-O 3.57Å; S382-F418 VanDerWaalsContact CA-O 3.26Å; S382-F418 WeakPolarHBondContact CA-O 3.42Å; S382-F418 VanDerWaalsContact CB-O 3.28Å; S382-F418 WeakPolarHBondContact CB-O 3.48Å; L383-F418 HydrophobicContact CD1-CB 4Å; L383-F418 HydrophobicContact CD1-CD2 3.39Å; L383-F418 HydrophobicContact CD1-CE2 4.13Å; L383-F418 HydrophobicContact CD1-CG 3.99Å; L383-F418 HydrophobicContact CG-CB 4.05Å; L383-F418 HydrophobicContact CG-CD2 4.35Å; L383-F418 PolarHBondContact N-O 3.31Å; L383-F418 PolarHBondContact O-N 3.5Å; D416-F418 HydrophobicContact CB-CD2 4.25Å; D416-F418 HydrophobicContact CB-CE2 3.37Å; D416-F418 HydrophobicContact CB-CZ 3.69Å; D416-F418 WeakPolarHBondContact O-CD2 3.41Å; D416-F418 WeakPolarHBondContact O-CE2 3.18Å
419	S	94.2	Very high	77.3	Confident	12 Å²	12	66 Å²	66	8%	0.084	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	140.6	165.2	44.9	0	0	0	0	110.8	F338 I339	F338-S419 CarbonylContact C-O 3.47Å; F338-S419 VanDerWaalsContact CA-O 3.23Å; F338-S419 WeakPolarHBondContact CA-O 3.4Å; I339-S419 PolarHBondContact N-O 2.75Å; I339-S419 PolarHBondContact O-N 2.04Å
420	I	91.7	Very high	76.8	Confident	19 Å²	19	64.9 Å²	64.9	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	139.7	170	162.5	174.3	0	0	0	109.4	S337 F338 L368 M381 L423	S337-I420 WeakPolarHBondContact O-CA 3.47Å; F338-I420 HydrophobicContact CD1-CB 4.03Å; F338-I420 HydrophobicContact CE1-CB 3.78Å; F338-I420 HydrophobicContact CE1-CG2 4.44Å; F338-I420 HydrophobicContact CZ-CB 4.32Å; L368-I420 HydrophobicContact CD2-CD1 3.7Å; M381-I420 VanDerWaalsContact O-CG2 3.28Å; M381-I420 WeakPolarHBondContact O-CG2 3.49Å; I420-L423 HydrophobicContact CD1-CD2 4.33Å; I420-L423 HydrophobicContact CG1-CD2 4.34Å; I420-L423 HydrophobicContact CG1-CG 4.33Å; I420-L423 HydrophobicContact CG2-CD1 4.05Å; I420-L423 HydrophobicContact CG2-CD2 3.65Å; I420-L423 HydrophobicContact CG2-CG 3.85Å
421	T	88.2	Confident	76.8	Confident	36 Å²	36	62.5 Å²	62.5	22%	0.221	33%	0.33	C	S	.	.	S	Bend	trans	-79	-55.4	-176.4	47.5	0	0	0	0	113	P336 S337 I339 L423	P336-T421 HydrophobicContact CG-CG2 4.03Å; P336-T421 WeakPolarHBondContact O-CG2 3.37Å; P336-T421 PolarHBondContact O-OG1 2.85Å; S337-T421 PolarHBondContact O-N 2.91Å; S337-T421 VanDerWaalsContact O-N 3.11Å; S337-T421 PolarHBondContact O-OG1 3.34Å; I339-T421 HydrophobicContact CD1-CG2 4.31Å; I339-T421 HydrophobicContact CG1-CG2 4.08Å; T421-L423 PolarHBondContact O-N 3.36Å
422	C	80	Confident	76.8	Confident	32 Å²	32	63.4 Å²	63.4	22%	0.216	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	40.9	-171.8	64.1	0	0	0	0	115.1	C332	C332-C422 WeakPolarHBondContact CA-SG 3.45Å; C332-C422 HydrophobicContact CB-CB 3.72Å; C332-C422 WeakPolarHBondContact CB-SG 3.35Å; C332-C422 WeakPolarHBondContact SG-CB 3.15Å; C332-C422 CovalentContact SG-SG 2.04Å; C332-C422 PolarHBondContact SG-SG 2.71Å
423	L	68.9	Low	77.2	Confident	28 Å²	28	68 Å²	68	15%	0.147	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-27.9	177.3	-71.1	177.9	0	0	0	113.4	K379 M381 T398 I420 T421	K379-L423 PolarHBondContact NZ-O 3.37Å; M381-L423 HydrophobicContact CB-CD1 3.84Å; M381-L423 HydrophobicContact CB-CD2 4.38Å; M381-L423 HydrophobicContact CE-CD1 4.07Å; M381-L423 HydrophobicContact CG-CD1 4.02Å; M381-L423 HydrophobicContact CG-CD2 3.98Å; T398-L423 HydrophobicContact CG2-CD1 4.22Å; I420-L423 HydrophobicContact CD1-CD2 4.33Å; I420-L423 HydrophobicContact CG1-CD2 4.34Å; I420-L423 HydrophobicContact CG1-CG 4.33Å; I420-L423 HydrophobicContact CG2-CD1 4.05Å; I420-L423 HydrophobicContact CG2-CD2 3.65Å; I420-L423 HydrophobicContact CG2-CG 3.85Å; T421-L423 PolarHBondContact O-N 3.36Å
424	T	57.9	Low	77.3	Confident	83 Å²	83	64.5 Å²	64.5	51%	0.509	32%	0.321	S	S	.	.	S	Bend	trans	-102.1	120.9	176.6	32	0	0	0	0	109.6	E426	T424-E426 PolarHBondContact O-N 3.47Å
425	K	52.9	Low	77.1	Confident	168 Å²	168	62 Å²	62	73%	0.73	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	32.2	-170.6	-61.6	-173.9	170.4	-169.2	0	114.9
426	E	51.7	Low	76.7	Confident	175 Å²	175	64 Å²	64	82%	0.818	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-4.2	-171.7	-58.2	-169	154.6	0	0	112.2	T424	T424-E426 PolarHBondContact O-N 3.47Å
427	E	53.7	Low	76.3	Confident	85 Å²	85	63.8 Å²	63.8	40%	0.397	33%	0.328	S	S	.	.			trans	-102.1	-7.4	-173	-62	179.6	160.4	0	0	114.5	Q334 Q429	Q334-E427 VanDerWaalsContact CD-O 3.25Å; Q334-E427 PolarHBondContact NE2-O 3.44Å; E427-Q429 PolarHBondContact O-N 2.96Å
428	D	53.5	Low	76	Confident	26 Å²	26	63.8 Å²	63.8	14%	0.139	33%	0.329	C	S	.	.			trans	-72.3	20	-170.4	-68.9	-74.1	0	0	0	116.5	P473 E474	D428-P473 HydrophobicContact CB-CB 4.19Å; D428-E474 WeakPolarHBondContact OD1-CA 3.32Å; D428-E474 WeakPolarHBondContact OD2-CG 3.37Å
429	Q	67.2	Low	75.8	Confident	152 Å²	152	63.8 Å²	63.8	71%	0.71	33%	0.329	S	S	*	.	S	Bend	trans	-86.8	167.4	169.1	-59.1	-170.2	48.7	0	0	110.9	Q334 E427	Q334-Q429 PolarHBondContact NE2-O 2.69Å; E427-Q429 PolarHBondContact O-N 2.96Å
430	C	77.9	Confident	75.7	Confident	18 Å²	18	65.3 Å²	65.3	12%	0.122	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-61.4	148.8	163.5	-74.7	0	0	0	0	109.5	T434 A436 C513	C430-T434 WeakPolarHBondContact CB-OG1 3.24Å; C430-A436 VanDerWaalsContact SG-CA 3.55Å; C430-C513 VanDerWaalsContact CA-SG 3.57Å; C430-C513 HydrophobicContact CB-CB 3.67Å; C430-C513 WeakPolarHBondContact CB-SG 3.5Å; C430-C513 WeakPolarHBondContact SG-CB 3.15Å; C430-C513 CovalentContact SG-SG 2.04Å; C430-C513 PolarHBondContact SG-SG 3.02Å
431	P	77	Confident	75.8	Confident	56 Å²	56	64.5 Å²	64.5	36%	0.364	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-52.1	152.5	180	-28.3	35.5	0	0	0	113	T434	P431-T434 WeakPolarHBondContact CD-OG1 3.07Å; P431-T434 WeakPolarHBondContact O-CB 3.45Å; P431-T434 PolarHBondContact O-N 2.96Å; P431-T434 PolarHBondContact O-OG1 3.48Å
432	E	75	Confident	75.8	Confident	177 Å²	177	65.1 Å²	65.1	83%	0.827	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	143.8	180	-65.9	-162.6	162	0	0	112.1	T434	E432-T434 PolarHBondContact O-N 3.44Å
433	Q	80.2	Confident	76.4	Confident	175 Å²	175	68.4 Å²	68.4	82%	0.818	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	8.2	-175.3	-43.5	175	30.5	0	0	115.1	G516	Q433-G516 PolarHBondContact O-N 3.31Å
434	T	85.7	Confident	77.6	Confident	28 Å²	28	68.2 Å²	68.2	17%	0.172	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.7	174	77.8	0	0	0	0	112.2	L267 C430 P431 E432 I514	L267-T434 HydrophobicContact CD2-CG2 4.4Å; C430-T434 WeakPolarHBondContact CB-OG1 3.24Å; P431-T434 WeakPolarHBondContact CD-OG1 3.07Å; P431-T434 WeakPolarHBondContact O-CB 3.45Å; P431-T434 PolarHBondContact O-N 2.96Å; P431-T434 PolarHBondContact O-OG1 3.48Å; E432-T434 PolarHBondContact O-N 3.44Å; T434-I514 CarbonylContact C-O 3.13Å; T434-I514 WeakPolarHBondContact CA-O 3.03Å; T434-I514 WeakPolarHBondContact CB-O 3.32Å
435	S	83.9	Confident	79.4	Confident	23 Å²	23	66.5 Å²	66.5	16%	0.161	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	142.2	-177.6	-67	0	0	0	0	113.5	T437 C513 I514 G516 T517 I518	S435-T437 PolarHBondContact O-N 3.49Å; S435-C513 WeakPolarHBondContact O-CA 3.43Å; S435-I514 PolarHBondContact N-O 2.82Å; S435-I514 PolarHBondContact O-N 3.11Å; S435-G516 WeakPolarHBondContact CB-O 3.06Å; S435-G516 PolarHBondContact N-O 2.87Å; S435-G516 PolarHBondContact OG-O 3.13Å; S435-T517 VanDerWaalsContact OG-CA 3.29Å; S435-T517 WeakPolarHBondContact OG-CA 3.48Å; S435-I518 PolarHBondContact OG-N 2.93Å
436	A	83.3	Confident	81.3	Confident	42 Å²	42	58.6 Å²	58.6	35%	0.347	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.3	173.5	0	0	0	0	0	111.8	C430	C430-A436 VanDerWaalsContact SG-CA 3.55Å
437	T	86.4	Confident	83.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	-171.5	171.9	-164.4	0	0	0	0	111.5	S435 H511 I512 I514 I518 A524	S435-T437 PolarHBondContact O-N 3.49Å; T437-H511 PolarHBondContact O-ND1 3.37Å; T437-I512 HydrophobicContact CG2-CG2 3.75Å; T437-I512 PolarHBondContact N-O 3.06Å; T437-I512 PolarHBondContact O-N 3.46Å; T437-I514 HydrophobicContact CG2-CD1 3.62Å; T437-I514 HydrophobicContact CG2-CG1 4.06Å; T437-I518 HydrophobicContact CG2-CD1 3.77Å; T437-A524 HydrophobicContact CG2-CB 3.8Å; T437-A524 WeakPolarHBondContact OG1-CB 3.43Å; T437-A524 PolarHBondContact OG1-N 3.3Å
438	S	89.5	Confident	84.8	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.5	179.6	-60.9	0	0	0	0	112.6	L465 R469 E510 Y523 A524	S438-L465 WeakPolarHBondContact OG-CD2 3.05Å; S438-R469 PolarHBondContact OG-NH2 3.2Å; S438-E510 CarbonylContact C-O 3.52Å; S438-E510 WeakPolarHBondContact CA-O 2.9Å; S438-E510 VanDerWaalsContact CB-O 3.28Å; S438-E510 WeakPolarHBondContact CB-O 2.99Å; S438-Y523 CarbonylContact O-C 3.58Å; S438-Y523 WeakPolarHBondContact O-CA 3.05Å; S438-Y523 WeakPolarHBondContact O-CB 3.49Å; S438-A524 PolarHBondContact O-N 2.86Å
439	I	93.2	Very high	86.3	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.3	171.8	-61.7	172.8	0	0	0	107.4	M441 F509 E510 I512 F525 H527 L547 L551 Y590	I439-M441 HydrophobicContact CG2-CE 4.12Å; I439-F509 WeakPolarHBondContact O-CA 3.09Å; I439-E510 PolarHBondContact N-O 2.86Å; I439-E510 PolarHBondContact O-N 3.06Å; I439-I512 HydrophobicContact CD1-CD1 3.87Å; I439-I512 HydrophobicContact CD1-CG2 4.18Å; I439-I512 HydrophobicContact CG1-CG2 4.03Å; I439-F525 WeakPolarHBondContact CA-O 3.44Å; I439-H527 HydrophobicContact CG2-CB 3.5Å; I439-H527 VanDerWaalsContact CG2-CB 3.5Å; I439-L547 HydrophobicContact CD1-CD2 4.38Å; I439-L551 HydrophobicContact CD1-CD1 3.79Å; I439-Y590 HydrophobicContact CD1-CE1 4.21Å; I439-Y590 HydrophobicContact CG2-CD1 4.3Å; I439-Y590 HydrophobicContact CG2-CE1 4.17Å
440	R	92.9	Very high	87	Confident	43 Å²	43	50.9 Å²	50.9	16%	0.162	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136	177.5	-174.5	179.2	70.3	123.7	-0.2	110.7	D507 Y508 F509 Y523 F525 D526 H527	R440-D507 WeakPolarHBondContact CD-OD2 3.37Å; R440-D507 HydrophobicContact CG-CB 4.29Å; R440-D507 IonicContact CZ-OD2 3.29Å; R440-D507 IonicContact NE-OD2 2.72Å; R440-D507 IonicContact NH1-OD2 2.8Å; R440-D507 PolarHBondContact NH1-OD2 3.42Å; R440-Y508 CarbonylContact C-O 3.18Å; R440-Y508 WeakPolarHBondContact CA-O 3.43Å; R440-F509 HydrophobicContact CB-CD1 3.77Å; R440-F509 HydrophobicContact CB-CE1 3.69Å; R440-F509 HydrophobicContact CB-CG 4.47Å; R440-F509 HydrophobicContact CB-CZ 4.31Å; R440-F509 VanDerWaalsContact CD-CE1 3.47Å; R440-F509 HydrophobicContact CG-CD1 3.92Å; R440-F509 HydrophobicContact CG-CD2 4.42Å; R440-F509 HydrophobicContact CG-CE1 3.55Å; R440-F509 HydrophobicContact CG-CE2 4.07Å; R440-F509 HydrophobicContact CG-CG 4.36Å; R440-F509 HydrophobicContact CG-CZ 3.64Å; R440-Y523 HydrophobicContact CB-CD2 3.8Å; R440-Y523 HydrophobicContact CB-CE2 3.94Å; R440-Y523 HydrophobicContact CB-CG 4.26Å; R440-Y523 PolarHBondContact NE-OH 2.02Å; R440-F525 PolarHBondContact N-O 3.03Å; R440-D526 IonicContact CZ-OD1 2.81Å; R440-D526 IonicContact CZ-OD2 3.91Å; R440-D526 IonicContact NE-OD1 3.93Å; R440-D526 PolarHBondContact NE-OD1 3.28Å; R440-D526 IonicContact NH2-OD1 2.89Å; R440-D526 PolarHBondContact NH2-OD1 3.42Å; R440-D526 IonicContact NH2-OD2 3.17Å; R440-D526 PolarHBondContact NH2-OD2 2.61Å; R440-D526 CarbonylContact O-C 3.5Å; R440-D526 WeakPolarHBondContact O-CA 3.16Å; R440-H527 PolarHBondContact O-N 3.3Å
441	M	93.5	Very high	87.2	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	106.5	170.4	-64.5	156.8	-137.6	0	0	106.7	I439 L500 Y508 E510 H527 M529	I439-M441 HydrophobicContact CG2-CE 4.12Å; M441-L500 HydrophobicContact SD-CD1 3.52Å; M441-L500 VanDerWaalsContact SD-CD1 3.52Å; M441-Y508 HydrophobicContact CB-CD1 4.16Å; M441-Y508 HydrophobicContact CE-CD1 4.04Å; M441-Y508 HydrophobicContact CE-CE1 3.77Å; M441-Y508 HydrophobicContact CG-CD1 4.31Å; M441-Y508 PolarHBondContact N-O 2.94Å; M441-Y508 PolarHBondContact O-N 3.21Å; M441-Y508 HydrophobicContact SD-CD1 3.54Å; M441-Y508 VanDerWaalsContact SD-CD1 3.54Å; M441-Y508 HydrophobicContact SD-CE1 3.68Å; M441-E510 HydrophobicContact CE-CB 4.19Å; M441-H527 HydrophobicContact CG-CB 3.86Å; M441-H527 WeakPolarHBondContact CG-ND1 3.39Å; M441-M529 HydrophobicContact CG-CE 4.05Å; M441-M529 HydrophobicContact SD-CE 3.33Å; M441-M529 WeakPolarHBondContact SD-CE 3.44Å
442	A	88.4	Confident	87.6	Confident	50 Å²	50	51.8 Å²	51.8	41%	0.413	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	156.1	-174.6	0	0	0	0	0	112	S444 D507	A442-S444 PolarHBondContact O-N 2.89Å; A442-S444 VanDerWaalsContact O-N 3.14Å; A442-S444 PolarHBondContact O-OG 2.9Å; A442-D507 VanDerWaalsContact CA-OD1 3.26Å; A442-D507 WeakPolarHBondContact CA-OD1 3.4Å
443	E	92.2	Very high	88.4	Confident	100 Å²	100	44.5 Å²	44.5	47%	0.467	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	37.7	-178.8	-65.8	-170	-156.5	0	0	114.2	Q502 S503 T506 D507	E443-Q502 WeakPolarHBondContact O-CA 3.17Å; E443-Q502 WeakPolarHBondContact O-CG 3.29Å; E443-S503 CarbonylContact C-O 3.55Å; E443-S503 WeakPolarHBondContact CA-O 3.41Å; E443-S503 WeakPolarHBondContact CB-O 3.34Å; E443-S503 PolarHBondContact O-N 3.07Å; E443-T506 CarbonylContact C-O 3.43Å; E443-T506 VanDerWaalsContact CA-O 3.28Å; E443-T506 WeakPolarHBondContact CA-O 3.18Å; E443-T506 PolarHBondContact N-O 3.35Å; E443-D507 PolarHBondContact N-OD1 3.37Å
444	S	94	Very high	88.8	Confident	24 Å²	24	37.9 Å²	37.9	17%	0.168	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.8	-171	-59.4	0	0	0	0	111	A442 T506 D507 Y508	A442-S444 PolarHBondContact O-N 2.89Å; A442-S444 VanDerWaalsContact O-N 3.14Å; A442-S444 PolarHBondContact O-OG 2.9Å; S444-T506 PolarHBondContact N-O 3.49Å; S444-T506 CarbonylContact O-C 3.54Å; S444-T506 VanDerWaalsContact O-O 3.08Å; S444-D507 CarbonylContact O-C 3.58Å; S444-D507 VanDerWaalsContact O-C 3.28Å; S444-Y508 WeakPolarHBondContact O-CB 3.36Å; S444-Y508 PolarHBondContact O-N 3.03Å
445	Q	94.8	Very high	89	Confident	48 Å²	48	40.5 Å²	40.5	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.1	174.5	65.1	-171.7	7.5	0	0	111.6	N480 L500 I501 T506	Q445-N480 WeakPolarHBondContact CA-OD1 3.45Å; Q445-L500 VanDerWaalsContact C-CD2 3.49Å; Q445-I501 HydrophobicContact CG-CD1 4.09Å; Q445-I501 HydrophobicContact CG-CG1 3.66Å; Q445-I501 PolarHBondContact N-O 2.79Å; Q445-I501 WeakPolarHBondContact O-CG1 3.31Å; Q445-I501 PolarHBondContact O-N 3.4Å; Q445-T506 HydrophobicContact CB-CG2 3.91Å; Q445-T506 PolarHBondContact OE1-OG1 2.99Å
446	L	93.2	Very high	89.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-85.1	136.2	169.9	-162.2	66.7	0	0	0	109.3	V448 N480 L491 T493 T498 L500 Y508	L446-V448 WeakPolarHBondContact O-CG2 3.35Å; L446-V448 PolarHBondContact O-N 3.31Å; L446-N480 PolarHBondContact N-OD1 3.04Å; L446-N480 PolarHBondContact O-ND2 3.28Å; L446-L491 HydrophobicContact CB-CD1 3.78Å; L446-L491 HydrophobicContact CD2-CD1 3.93Å; L446-L491 HydrophobicContact CG-CD1 4.37Å; L446-T493 VanDerWaalsContact CD2-OG1 3.26Å; L446-T493 WeakPolarHBondContact CD2-OG1 3.03Å; L446-T498 HydrophobicContact CD1-CG2 4.46Å; L446-T498 WeakPolarHBondContact CD1-O 3.27Å; L446-L500 HydrophobicContact CB-CD2 3.86Å; L446-L500 HydrophobicContact CD1-CD2 3.8Å; L446-L500 HydrophobicContact CD1-CG 4.29Å; L446-L500 HydrophobicContact CG-CD2 4.45Å; L446-Y508 HydrophobicContact CB-CD2 4.11Å; L446-Y508 HydrophobicContact CB-CE2 3.93Å; L446-Y508 HydrophobicContact CD2-CE2 4.41Å
447	P	91.8	Very high	89.8	Confident	41 Å²	41	45 Å²	45	27%	0.266	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-59.9	122.3	176.7	-24.3	34.5	0	0	0	112.2	N452 T498 P499 I501	P447-N452 PolarHBondContact O-ND2 3.26Å; P447-T498 HydrophobicContact CB-CG2 4.41Å; P447-T498 HydrophobicContact CG-CG2 3.86Å; P447-P499 WeakPolarHBondContact CD-O 3.36Å; P447-I501 HydrophobicContact CG-CD1 4.18Å; P447-I501 HydrophobicContact CG-CG1 4.18Å; P447-I501 HydrophobicContact CG-CG2 4.06Å
448	V	87.6	Confident	89.8	Confident	51 Å²	51	49.4 Å²	49.4	31%	0.309	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-95.4	129	-170.9	-178.4	0	0	0	0	112.9	L446 N452 T453 N480 E489 L491	L446-V448 WeakPolarHBondContact O-CG2 3.35Å; L446-V448 PolarHBondContact O-N 3.31Å; V448-N452 WeakPolarHBondContact CA-OD1 3.33Å; V448-T453 WeakPolarHBondContact CG1-OG1 3.44Å; V448-N480 WeakPolarHBondContact CG2-ND2 3.28Å; V448-E489 VanDerWaalsContact CG2-OE2 3.3Å; V448-E489 WeakPolarHBondContact CG2-OE2 3.47Å; V448-L491 HydrophobicContact CG1-CD2 4.25Å; V448-L491 HydrophobicContact CG2-CD1 4.43Å; V448-L491 HydrophobicContact CG2-CD2 4Å
449	T	84.3	Confident	89.2	Confident	51 Å²	51	51 Å²	51	31%	0.313	29%	0.291	S	S	.	.			trans	-120.2	167	174.9	77.4	0	0	0	0	110.9	D242 N451 N452 T453	D242-T449 PolarHBondContact OD1-OG1 3.18Å; D242-T449 PolarHBondContact OD2-OG1 2.95Å; T449-N451 PolarHBondContact O-N 2.8Å; T449-N451 PolarHBondContact OG1-N 3.41Å; T449-N452 PolarHBondContact N-ND2 2.79Å; T449-N452 PolarHBondContact N-OD1 2.88Å; T449-N452 PolarHBondContact O-N 3.14Å; T449-N452 PolarHBondContact O-OD1 3.13Å; T449-N452 PolarHBondContact OG1-N 3.5Å; T449-N452 PolarHBondContact OG1-ND2 2.03Å; T449-T453 WeakPolarHBondContact O-CB 3.2Å; T449-T453 PolarHBondContact O-N 2.79Å; T449-T453 PolarHBondContact O-OG1 3.27Å
450	V	82.9	Confident	88.6	Confident	133 Å²	133	52.7 Å²	52.7	81%	0.806	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-29.9	173.3	-179.8	0	0	0	0	111.2	K329	K329-V450 PolarHBondContact NZ-O 3.35Å
451	N	81.7	Confident	88.1	Confident	93 Å²	93	51.6 Å²	51.6	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-56.6	174.7	-53.4	-31.7	0	0	0	109.7	D242 K329 T449 T453 F492	D242-N451 HydrophobicContact CB-CB 3.88Å; D242-N451 WeakPolarHBondContact OD2-CB 3.46Å; D242-N451 PolarHBondContact OD2-ND2 2.04Å; K329-N451 WeakPolarHBondContact CE-O 3.46Å; K329-N451 PolarHBondContact NZ-O 2.89Å; T449-N451 PolarHBondContact O-N 2.8Å; T449-N451 PolarHBondContact OG1-N 3.41Å; N451-T453 VanDerWaalsContact C-N 3.3Å; N451-T453 PolarHBondContact O-N 2.96Å; N451-F492 WeakPolarHBondContact O-CD1 3.07Å; N451-F492 VanDerWaalsContact O-CE1 3.27Å; N451-F492 WeakPolarHBondContact O-CE1 3.48Å
452	N	86.1	Confident	87.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.6	-172	69.6	37.6	0	0	0	115.2	D242 P447 V448 T449 L491 F492 T493	D242-N452 WeakPolarHBondContact OD1-CB 3.33Å; D242-N452 PolarHBondContact OD1-ND2 2.78Å; P447-N452 PolarHBondContact O-ND2 3.26Å; V448-N452 WeakPolarHBondContact CA-OD1 3.33Å; T449-N452 PolarHBondContact N-ND2 2.79Å; T449-N452 PolarHBondContact N-OD1 2.88Å; T449-N452 PolarHBondContact O-N 3.14Å; T449-N452 PolarHBondContact O-OD1 3.13Å; T449-N452 PolarHBondContact OG1-N 3.5Å; T449-N452 PolarHBondContact OG1-ND2 2.03Å; N452-L491 VanDerWaalsContact O-CA 3.3Å; N452-L491 WeakPolarHBondContact O-CA 3.39Å; N452-F492 HydrophobicContact CB-CD1 4.34Å; N452-F492 HydrophobicContact CB-CE1 4.28Å; N452-F492 PolarHBondContact O-N 2.85Å; N452-T493 HydrophobicContact CB-CG2 3.78Å; N452-T493 WeakPolarHBondContact CB-OG1 3.38Å
453	T	90.1	Very high	87.2	Confident	24 Å²	24	51.7 Å²	51.7	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.5	170.9	-49.8	0	0	0	0	111.9	K329 V448 T449 N451 K456	K329-T453 PolarHBondContact NZ-O 3.31Å; V448-T453 WeakPolarHBondContact CG1-OG1 3.44Å; T449-T453 WeakPolarHBondContact O-CB 3.2Å; T449-T453 PolarHBondContact O-N 2.79Å; T449-T453 PolarHBondContact O-OG1 3.27Å; N451-T453 VanDerWaalsContact C-N 3.3Å; N451-T453 PolarHBondContact O-N 2.96Å; T453-K456 HydrophobicContact CG2-CG 4.01Å
454	L	88.7	Confident	87	Confident	35 Å²	35	47 Å²	47	18%	0.183	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-55.3	163.5	-66.3	169.8	0	0	0	110.9	K329 F472 K475 C476 L490 F492	K329-L454 HydrophobicContact CD-CD2 4.27Å; L454-F472 HydrophobicContact CD1-CB 4.42Å; L454-K475 HydrophobicContact CD1-CB 3.87Å; L454-K475 HydrophobicContact CD2-CB 3.92Å; L454-K475 HydrophobicContact CD2-CD 4.42Å; L454-C476 HydrophobicContact CD1-CB 3.83Å; L454-L490 HydrophobicContact CB-CB 4.4Å; L454-L490 WeakPolarHBondContact CB-O 3.27Å; L454-L490 PolarHBondContact N-O 2.92Å; L454-F492 HydrophobicContact CD1-CB 4.11Å; L454-F492 HydrophobicContact CD2-CB 3.95Å; L454-F492 HydrophobicContact CG-CB 4.01Å
455	Q	91.5	Very high	86.7	Confident	84 Å²	84	46 Å²	46	39%	0.393	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	157.6	177.6	-156.5	-179.5	36.5	0	0	110.5	I457 F472 L490	Q455-I457 HydrophobicContact CG-CG2 3.89Å; Q455-I457 VanDerWaalsContact OE1-CG2 3.24Å; Q455-F472 HydrophobicContact CB-CE2 3.9Å; Q455-F472 HydrophobicContact CB-CZ 3.8Å; Q455-F472 HydrophobicContact CG-CZ 4.31Å; Q455-F472 VanDerWaalsContact OE1-CE2 3.31Å; Q455-L490 PolarHBondContact O-N 3.5Å
456	K	93	Very high	86.2	Confident	122 Å²	122	49 Å²	49	53%	0.53	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.6	165.3	-55.1	-166.8	-177.8	-162.2	0	108.8	T453 C488 E489	T453-K456 HydrophobicContact CG2-CG 4.01Å; K456-C488 VanDerWaalsContact CA-O 3.31Å; K456-C488 WeakPolarHBondContact CA-O 3.43Å; K456-E489 HydrophobicContact CD-CG 4.05Å; K456-E489 VanDerWaalsContact CE-OE1 3.28Å; K456-E489 WeakPolarHBondContact CE-OE1 3.3Å; K456-E489 HydrophobicContact CG-CB 4.39Å; K456-E489 HydrophobicContact CG-CG 4.2Å; K456-E489 IonicContact NZ-OE1 3.79Å; K456-E489 PolarHBondContact NZ-OE1 2.79Å
457	I	91.1	Very high	85.9	Confident	38 Å²	38	50.2 Å²	50.2	20%	0.195	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	-174.7	-176.7	66.9	-178.7	0	0	0	110.2	Q455 S467 S487 C488 L490	Q455-I457 HydrophobicContact CG-CG2 3.89Å; Q455-I457 VanDerWaalsContact OE1-CG2 3.24Å; I457-S467 VanDerWaalsContact CD1-CB 3.43Å; I457-S467 WeakPolarHBondContact CD1-OG 3.36Å; I457-S487 WeakPolarHBondContact O-CA 3.18Å; I457-C488 WeakPolarHBondContact CG1-SG 3.41Å; I457-C488 PolarHBondContact N-O 3Å; I457-C488 PolarHBondContact O-N 3.41Å; I457-L490 HydrophobicContact CD1-CD1 4.1Å
458	S	86.2	Confident	85.7	Confident	93 Å²	93	48.4 Å²	48.4	65%	0.65	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	145.5	177.7	-52.7	0	0	0	0	111.4	G486	S458-G486 CarbonylContact C-O 3.55Å; S458-G486 WeakPolarHBondContact CA-O 3.04Å; S458-G486 WeakPolarHBondContact CB-O 3.5Å
459	G	75.9	Confident	85.4	Confident	34 Å²	34	48.7 Å²	48.7	35%	0.351	27%	0.274	S	S	.	.	S	Bend	trans	163.3	-160.7	-174.7	0	0	0	0	0	111.5	G486	G459-G486 PolarHBondContact N-O 3.29Å; G459-G486 VanDerWaalsContact O-O 3.05Å
460	S	79.9	Confident	85.2	Confident	38 Å²	38	52.9 Å²	52.9	27%	0.266	29%	0.29	S	S	.	.			trans	-77.5	159.1	165.6	62.4	0	0	0	0	110.8	A462 S463 C464	S460-A462 PolarHBondContact O-N 3.26Å; S460-A462 VanDerWaalsContact O-N 3.17Å; S460-S463 WeakPolarHBondContact O-CA 3.32Å; S460-S463 WeakPolarHBondContact O-CB 3.43Å; S460-S463 PolarHBondContact O-N 3.49Å; S460-S463 PolarHBondContact OG-N 2.71Å; S460-C464 PolarHBondContact O-N 3.01Å; S460-C464 PolarHBondContact O-SG 3.44Å; S460-C464 VanDerWaalsContact O-SG 3.35Å
461	A	83.1	Confident	85.1	Confident	20 Å²	20	49.9 Å²	49.9	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-55.3	-33.6	173.6	0	0	0	0	0	112.4	C464 L465 F481 F509	A461-C464 PolarHBondContact O-N 2.61Å; A461-L465 WeakPolarHBondContact O-CB 3.26Å; A461-L465 WeakPolarHBondContact O-CG 3.03Å; A461-L465 PolarHBondContact O-N 2.99Å; A461-F481 HydrophobicContact CB-CD1 3.88Å; A461-F481 HydrophobicContact CB-CD2 4.14Å; A461-F481 HydrophobicContact CB-CE1 3.92Å; A461-F481 HydrophobicContact CB-CE2 4.2Å; A461-F481 HydrophobicContact CB-CG 4Å; A461-F481 HydrophobicContact CB-CZ 4.09Å; A461-F509 HydrophobicContact CB-CE2 4.3Å; A461-F509 HydrophobicContact CB-CZ 3.91Å
462	A	79.5	Confident	84.9	Confident	13 Å²	13	47.7 Å²	47.7	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-40	173.2	0	0	0	0	0	112.9	S460 R466 V522	S460-A462 PolarHBondContact O-N 3.26Å; S460-A462 VanDerWaalsContact O-N 3.17Å; A462-R466 WeakPolarHBondContact O-CB 3.37Å; A462-R466 PolarHBondContact O-N 2.68Å; A462-V522 HydrophobicContact CB-CG1 3.8Å; A462-V522 HydrophobicContact CB-CG2 3.82Å
463	S	83.8	Confident	84.3	Confident	42 Å²	42	49.8 Å²	49.8	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-44.3	172.8	-165.4	0	0	0	0	111.5	S460 L465 R466 S467	S460-S463 WeakPolarHBondContact O-CA 3.32Å; S460-S463 WeakPolarHBondContact O-CB 3.43Å; S460-S463 PolarHBondContact O-N 3.49Å; S460-S463 PolarHBondContact OG-N 2.71Å; S463-L465 PolarHBondContact O-N 3.33Å; S463-R466 WeakPolarHBondContact O-CB 3.41Å; S463-R466 PolarHBondContact O-N 3.35Å; S463-S467 PolarHBondContact O-N 2.93Å; S463-S467 PolarHBondContact O-OG 3.29Å
464	C	88.5	Confident	83.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-44.8	176.8	-61.3	0	0	0	0	112.7	S460 A461 R466 S467 C468 M479 C488	S460-C464 PolarHBondContact O-N 3.01Å; S460-C464 PolarHBondContact O-SG 3.44Å; S460-C464 VanDerWaalsContact O-SG 3.35Å; A461-C464 PolarHBondContact O-N 2.61Å; C464-R466 VanDerWaalsContact C-N 3.34Å; C464-S467 PolarHBondContact O-N 3.24Å; C464-C468 WeakPolarHBondContact O-CB 3.14Å; C464-C468 PolarHBondContact O-N 3.31Å; C464-M479 HydrophobicContact CB-CE 3.82Å; C464-M479 HydrophobicContact CB-SD 3.43Å; C464-M479 WeakPolarHBondContact CB-SD 3.07Å; C464-C488 HydrophobicContact CB-CB 3.71Å; C464-C488 WeakPolarHBondContact CB-SG 3.39Å; C464-C488 WeakPolarHBondContact SG-CB 3.38Å; C464-C488 CovalentContact SG-SG 2.03Å; C464-C488 PolarHBondContact SG-SG 3.2Å
465	L	87.2	Confident	82.8	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-37.3	175.1	-76	168.2	0	0	0	112.3	S438 A461 S463 C468 R469 M479 F509 V522	S438-L465 WeakPolarHBondContact OG-CD2 3.05Å; A461-L465 WeakPolarHBondContact O-CB 3.26Å; A461-L465 WeakPolarHBondContact O-CG 3.03Å; A461-L465 PolarHBondContact O-N 2.99Å; S463-L465 PolarHBondContact O-N 3.33Å; L465-C468 WeakPolarHBondContact O-CB 3.48Å; L465-C468 PolarHBondContact O-N 3.3Å; L465-R469 WeakPolarHBondContact O-CG 3.16Å; L465-R469 PolarHBondContact O-N 3.45Å; L465-M479 HydrophobicContact CD1-CE 4.28Å; L465-M479 HydrophobicContact CD2-CE 3.9Å; L465-M479 HydrophobicContact CD2-CG 4.22Å; L465-M479 HydrophobicContact CD2-SD 3.82Å; L465-M479 HydrophobicContact CG-CE 3.59Å; L465-M479 HydrophobicContact CG-SD 3.86Å; L465-F509 HydrophobicContact CD1-CD1 3.78Å; L465-F509 HydrophobicContact CD1-CE1 4.09Å; L465-F509 HydrophobicContact CD1-CG 4.41Å; L465-F509 HydrophobicContact CD2-CB 3.94Å; L465-F509 HydrophobicContact CD2-CD1 4.46Å; L465-F509 HydrophobicContact CD2-CG 4.41Å; L465-V522 HydrophobicContact CD1-CG1 3.53Å
466	R	83.8	Confident	82.7	Confident	111 Å²	111	48.8 Å²	48.8	42%	0.419	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-50.1	173.2	-168	-178.3	-64.5	115.3	-4	110.9	A462 S463 C464 C468 R469 E470	A462-R466 WeakPolarHBondContact O-CB 3.37Å; A462-R466 PolarHBondContact O-N 2.68Å; S463-R466 WeakPolarHBondContact O-CB 3.41Å; S463-R466 PolarHBondContact O-N 3.35Å; C464-R466 VanDerWaalsContact C-N 3.34Å; R466-C468 VanDerWaalsContact C-N 3.31Å; R466-C468 PolarHBondContact O-N 2.78Å; R466-R469 PolarHBondContact O-N 2.72Å; R466-R469 VanDerWaalsContact O-N 3.14Å; R466-E470 WeakPolarHBondContact CD-OE1 3.22Å; R466-E470 WeakPolarHBondContact CD-OE2 3.46Å; R466-E470 HydrophobicContact CG-CG 4.08Å; R466-E470 WeakPolarHBondContact CG-OE1 3.27Å; R466-E470 VanDerWaalsContact CG-OE2 3.23Å; R466-E470 WeakPolarHBondContact CG-OE2 3.35Å; R466-E470 WeakPolarHBondContact O-CB 3.47Å; R466-E470 PolarHBondContact O-N 2.54Å
467	S	87	Confident	82.5	Confident	26 Å²	26	45.3 Å²	45.3	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-34.5	175.4	-62.4	0	0	0	0	113.5	I457 S463 C464 S471 F472	I457-S467 VanDerWaalsContact CD1-CB 3.43Å; I457-S467 WeakPolarHBondContact CD1-OG 3.36Å; S463-S467 PolarHBondContact O-N 2.93Å; S463-S467 PolarHBondContact O-OG 3.29Å; C464-S467 PolarHBondContact O-N 3.24Å; S467-S471 WeakPolarHBondContact O-CA 3.22Å; S467-S471 WeakPolarHBondContact O-CB 3.46Å; S467-S471 PolarHBondContact O-N 3.07Å; S467-S471 PolarHBondContact O-OG 3.04Å; S467-F472 PolarHBondContact O-N 3.4Å
468	C	87.7	Confident	82.6	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.014	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-47.4	171.8	-176.5	0	0	0	0	111.5	C464 L465 R466 F472 C476 L490	C464-C468 WeakPolarHBondContact O-CB 3.14Å; C464-C468 PolarHBondContact O-N 3.31Å; L465-C468 WeakPolarHBondContact O-CB 3.48Å; L465-C468 PolarHBondContact O-N 3.3Å; R466-C468 VanDerWaalsContact C-N 3.31Å; R466-C468 PolarHBondContact O-N 2.78Å; C468-F472 CarbonylContact O-C 3.47Å; C468-C476 VanDerWaalsContact CA-SG 3.53Å; C468-C476 HydrophobicContact CB-CB 4.01Å; C468-C476 WeakPolarHBondContact CB-SG 3.04Å; C468-C476 VanDerWaalsContact O-CB 3.31Å; C468-C476 WeakPolarHBondContact O-CB 3.5Å; C468-C476 WeakPolarHBondContact SG-CB 3.03Å; C468-C476 CovalentContact SG-SG 2.04Å; C468-C476 PolarHBondContact SG-SG 3Å; C468-L490 HydrophobicContact CB-CD2 4.12Å
469	R	82.2	Confident	83.1	Confident	58 Å²	58	39.1 Å²	39.1	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-73.4	-46	-178.7	-66.2	179.7	-167.4	155.4	12.9	113.1	S438 L465 R466 P473 V522	S438-R469 PolarHBondContact OG-NH2 3.2Å; L465-R469 WeakPolarHBondContact O-CG 3.16Å; L465-R469 PolarHBondContact O-N 3.45Å; R466-R469 PolarHBondContact O-N 2.72Å; R466-R469 VanDerWaalsContact O-N 3.14Å; R469-P473 WeakPolarHBondContact O-CA 3.5Å; R469-P473 WeakPolarHBondContact O-CB 3Å; R469-V522 PolarHBondContact NH2-O 2.79Å
470	E	80.5	Confident	84	Confident	138 Å²	138	37.6 Å²	37.6	65%	0.645	19%	0.194	S	C	*	.	H	α-helix	trans	-93.7	-35.2	-169.5	-65.2	173.8	-171	0	0	113.7	R466	R466-E470 WeakPolarHBondContact CD-OE1 3.22Å; R466-E470 WeakPolarHBondContact CD-OE2 3.46Å; R466-E470 HydrophobicContact CG-CG 4.08Å; R466-E470 WeakPolarHBondContact CG-OE1 3.27Å; R466-E470 VanDerWaalsContact CG-OE2 3.23Å; R466-E470 WeakPolarHBondContact CG-OE2 3.35Å; R466-E470 WeakPolarHBondContact O-CB 3.47Å; R466-E470 PolarHBondContact O-N 2.54Å
471	S	79.9	Confident	84.7	Confident	70 Å²	70	37 Å²	37	49%	0.49	19%	0.187	S	C	.	.	H	α-helix	trans	-91.5	-18	-177.4	-44.7	0	0	0	0	113.3	S467	S467-S471 WeakPolarHBondContact O-CA 3.22Å; S467-S471 WeakPolarHBondContact O-CB 3.46Å; S467-S471 PolarHBondContact O-N 3.07Å; S467-S471 PolarHBondContact O-OG 3.04Å
472	F	78	Confident	85.1	Confident	47 Å²	47	37.8 Å²	37.8	21%	0.206	19%	0.189	C	C	.	.	S	Bend	trans	-141	47.5	-179.8	-59.6	-80.2	0	0	0	113.1	L454 Q455 S467 C468 E474 K475 C476 L490	L454-F472 HydrophobicContact CD1-CB 4.42Å; Q455-F472 HydrophobicContact CB-CE2 3.9Å; Q455-F472 HydrophobicContact CB-CZ 3.8Å; Q455-F472 HydrophobicContact CG-CZ 4.31Å; Q455-F472 VanDerWaalsContact OE1-CE2 3.31Å; S467-F472 PolarHBondContact O-N 3.4Å; C468-F472 CarbonylContact O-C 3.47Å; F472-E474 PolarHBondContact O-N 3.46Å; F472-K475 HydrophobicContact CB-CB 4.48Å; F472-K475 PolarHBondContact O-N 3.26Å; F472-C476 HydrophobicContact CB-CB 3.84Å; F472-C476 PolarHBondContact O-N 2.71Å; F472-L490 HydrophobicContact CD2-CD1 3.78Å; F472-L490 HydrophobicContact CE2-CD1 3.89Å
473	P	72.2	Confident	85.5	Confident	45 Å²	45	40.7 Å²	40.7	29%	0.292	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-50.7	-173.1	21.5	-33.3	0	0	0	112.9	R333 D428 R469 K475	R333-P473 WeakPolarHBondContact CD-O 3.27Å; R333-P473 PolarHBondContact NH1-O 2.72Å; D428-P473 HydrophobicContact CB-CB 4.19Å; R469-P473 WeakPolarHBondContact O-CA 3.5Å; R469-P473 WeakPolarHBondContact O-CB 3Å; P473-K475 PolarHBondContact O-N 3.02Å; P473-K475 VanDerWaalsContact O-N 3.13Å
474	E	68.8	Low	85.6	Confident	60 Å²	60	44.3 Å²	44.3	28%	0.28	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-31.8	173.6	-68.8	167.4	-162.8	0	0	113.7	D428 F472	D428-E474 WeakPolarHBondContact OD1-CA 3.32Å; D428-E474 WeakPolarHBondContact OD2-CG 3.37Å; F472-E474 PolarHBondContact O-N 3.46Å
475	K	80	Confident	85.5	Confident	62 Å²	62	47.6 Å²	47.6	27%	0.27	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-36.4	-154.6	-62.2	-176	171	105.2	0	115.6	K329 L454 F472 P473 R477 F492	K329-K475 WeakPolarHBondContact O-CD 3.43Å; K329-K475 WeakPolarHBondContact O-CE 3.01Å; K329-K475 VanDerWaalsContact O-CG 3.28Å; K329-K475 WeakPolarHBondContact O-CG 3.39Å; L454-K475 HydrophobicContact CD1-CB 3.87Å; L454-K475 HydrophobicContact CD2-CB 3.92Å; L454-K475 HydrophobicContact CD2-CD 4.42Å; F472-K475 HydrophobicContact CB-CB 4.48Å; F472-K475 PolarHBondContact O-N 3.26Å; P473-K475 PolarHBondContact O-N 3.02Å; P473-K475 VanDerWaalsContact O-N 3.13Å; K475-R477 PolarHBondContact O-N 2.03Å; K475-F492 WeakPolarHBondContact O-CA 3.02Å
476	C	88.4	Confident	85.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.			trans	-81.6	113	-172.2	-170.9	0	0	0	0	111.6	L454 C468 F472 S478	L454-C476 HydrophobicContact CD1-CB 3.83Å; C468-C476 VanDerWaalsContact CA-SG 3.53Å; C468-C476 HydrophobicContact CB-CB 4.01Å; C468-C476 WeakPolarHBondContact CB-SG 3.04Å; C468-C476 VanDerWaalsContact O-CB 3.31Å; C468-C476 WeakPolarHBondContact O-CB 3.5Å; C468-C476 WeakPolarHBondContact SG-CB 3.03Å; C468-C476 CovalentContact SG-SG 2.04Å; C468-C476 PolarHBondContact SG-SG 3Å; F472-C476 HydrophobicContact CB-CB 3.84Å; F472-C476 PolarHBondContact O-N 2.71Å; C476-S478 PolarHBondContact SG-O 2.87Å
477	R	89.7	Confident	85.6	Confident	50 Å²	50	45 Å²	45	19%	0.189	25%	0.251	C	S	.	.			trans	-103.6	-27	179.5	-60.2	-167.1	-177.5	-130.1	-4.1	112.6	V244 C332 K475 L491 F492 H511	V244-R477 VanDerWaalsContact CG1-CZ 3.48Å; C332-R477 PolarHBondContact O-NH2 2.84Å; K475-R477 PolarHBondContact O-N 2.03Å; R477-L491 PolarHBondContact N-O 3.26Å; R477-F492 VanDerWaalsContact CD-O 3.27Å; R477-F492 WeakPolarHBondContact CD-O 3.45Å; R477-F492 VanDerWaalsContact CG-O 3.3Å; R477-F492 WeakPolarHBondContact CG-O 3.02Å; R477-H511 WeakPolarHBondContact O-CB 3.01Å; R477-H511 PolarHBondContact O-N 3.35Å
478	S	93.6	Very high	85.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	174.1	175.4	69	0	0	0	0	112.5	C476 L491 T493 Y508 F509	C476-S478 PolarHBondContact SG-O 2.87Å; S478-L491 PolarHBondContact N-O 2.93Å; S478-L491 PolarHBondContact O-N 2.82Å; S478-T493 WeakPolarHBondContact CB-O 3.33Å; S478-T493 PolarHBondContact OG-O 3.06Å; S478-Y508 VanDerWaalsContact CB-CE2 3.42Å; S478-Y508 WeakPolarHBondContact CB-OH 3.27Å; S478-Y508 WeakPolarHBondContact OG-CE2 3.43Å; S478-F509 CarbonylContact C-O 3.56Å; S478-F509 VanDerWaalsContact CA-O 3.24Å; S478-F509 WeakPolarHBondContact CA-O 3.29Å; S478-F509 WeakPolarHBondContact CB-O 3.5Å
479	M	94.9	Very high	86.3	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.6	170.6	64.8	168.8	-144.4	0	0	112.9	C464 L465 F481 E489 L490 F509	C464-M479 HydrophobicContact CB-CE 3.82Å; C464-M479 HydrophobicContact CB-SD 3.43Å; C464-M479 WeakPolarHBondContact CB-SD 3.07Å; L465-M479 HydrophobicContact CD1-CE 4.28Å; L465-M479 HydrophobicContact CD2-CE 3.9Å; L465-M479 HydrophobicContact CD2-CG 4.22Å; L465-M479 HydrophobicContact CD2-SD 3.82Å; L465-M479 HydrophobicContact CG-CE 3.59Å; L465-M479 HydrophobicContact CG-SD 3.86Å; M479-F481 HydrophobicContact CE-CB 4Å; M479-E489 CarbonylContact C-O 3.37Å; M479-E489 WeakPolarHBondContact CA-O 3.5Å; M479-E489 WeakPolarHBondContact CB-O 3.33Å; M479-L490 HydrophobicContact CB-CD2 3.81Å; M479-L490 HydrophobicContact SD-CD2 4.18Å; M479-F509 HydrophobicContact CE-CB 3.97Å; M479-F509 HydrophobicContact CE-CD1 4.36Å; M479-F509 HydrophobicContact CE-CD2 3.34Å; M479-F509 HydrophobicContact CE-CE2 3.8Å; M479-F509 HydrophobicContact CE-CG 3.66Å; M479-F509 HydrophobicContact CE-CZ 4.45Å; M479-F509 HydrophobicContact CG-CB 3.88Å; M479-F509 HydrophobicContact CG-CD2 4.46Å; M479-F509 PolarHBondContact N-O 3.48Å; M479-F509 PolarHBondContact O-N 3.02Å
480	N	96.4	Very high	86.9	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.6	161.5	-64.9	-22.9	0	0	0	109.3	Q445 L446 V448 C488 E489 T506	Q445-N480 WeakPolarHBondContact CA-OD1 3.45Å; L446-N480 PolarHBondContact N-OD1 3.04Å; L446-N480 PolarHBondContact O-ND2 3.28Å; V448-N480 WeakPolarHBondContact CG2-ND2 3.28Å; N480-C488 CarbonylContact O-C 3.59Å; N480-C488 WeakPolarHBondContact O-CA 3.26Å; N480-C488 WeakPolarHBondContact O-CB 3.36Å; N480-E489 HydrophobicContact CB-CB 4.23Å; N480-E489 HydrophobicContact CB-CG 4.48Å; N480-E489 PolarHBondContact N-O 3.17Å; N480-E489 PolarHBondContact ND2-OE2 2.86Å; N480-E489 PolarHBondContact O-N 2.86Å; N480-T506 HydrophobicContact CB-CG2 3.86Å
481	F	94.6	Very high	87.5	Confident	24 Å²	24	36.6 Å²	36.6	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	118	172.3	170.6	-100.6	0	0	0	111.2	A461 M479 T483 C488 T506 D507 F509	A461-F481 HydrophobicContact CB-CD1 3.88Å; A461-F481 HydrophobicContact CB-CD2 4.14Å; A461-F481 HydrophobicContact CB-CE1 3.92Å; A461-F481 HydrophobicContact CB-CE2 4.2Å; A461-F481 HydrophobicContact CB-CG 4Å; A461-F481 HydrophobicContact CB-CZ 4.09Å; M479-F481 HydrophobicContact CE-CB 4Å; F481-T483 HydrophobicContact CD1-CG2 4.11Å; F481-T483 HydrophobicContact CE1-CG2 4.04Å; F481-T483 PolarHBondContact O-N 3.49Å; F481-C488 HydrophobicContact CB-CB 4.34Å; F481-C488 HydrophobicContact CD2-CB 4.12Å; F481-T506 CarbonylContact O-C 3.6Å; F481-T506 WeakPolarHBondContact O-CA 3.21Å; F481-T506 WeakPolarHBondContact O-CG2 3.1Å; F481-D507 PolarHBondContact N-O 2.86Å; F481-D507 PolarHBondContact O-N 2.62Å; F481-F509 HydrophobicContact CB-CD2 4.37Å; F481-F509 HydrophobicContact CB-CE2 3.99Å; F481-F509 HydrophobicContact CD1-CE2 4.45Å
482	D	91.7	Very high	87.9	Confident	38 Å²	38	33.6 Å²	33.6	20%	0.203	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	105.5	174.4	174.2	14.4	0	0	0	110.5	T484 S485 G486 S487	D482-T484 PolarHBondContact O-N 3.31Å; D482-T484 VanDerWaalsContact O-N 3.11Å; D482-T484 WeakPolarHBondContact OD1-CB 3.35Å; D482-T484 PolarHBondContact OD1-N 3.23Å; D482-S485 WeakPolarHBondContact CB-OG 3.28Å; D482-S485 PolarHBondContact O-N 2.87Å; D482-S485 WeakPolarHBondContact OD2-CB 3.1Å; D482-S485 PolarHBondContact OD2-N 2.63Å; D482-S485 PolarHBondContact OD2-OG 2.86Å; D482-G486 WeakPolarHBondContact O-CA 3.43Å; D482-G486 PolarHBondContact O-N 2.88Å; D482-S487 PolarHBondContact N-O 3.14Å
483	T	86.6	Confident	88.4	Confident	73 Å²	73	31.4 Å²	31.4	45%	0.448	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.1	177.7	63.1	0	0	0	0	114.1	F481 S505	F481-T483 HydrophobicContact CD1-CG2 4.11Å; F481-T483 HydrophobicContact CE1-CG2 4.04Å; F481-T483 PolarHBondContact O-N 3.49Å; T483-S505 WeakPolarHBondContact CB-O 3.5Å; T483-S505 PolarHBondContact N-O 3.41Å; T483-S505 PolarHBondContact OG1-O 3.08Å
484	T	85.5	Confident	89.3	Confident	118 Å²	118	30.4 Å²	30.4	72%	0.724	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-32	-177.2	-56.5	0	0	0	0	113	D482	D482-T484 PolarHBondContact O-N 3.31Å; D482-T484 VanDerWaalsContact O-N 3.11Å; D482-T484 WeakPolarHBondContact OD1-CB 3.35Å; D482-T484 PolarHBondContact OD1-N 3.23Å
485	S	86.4	Confident	90.3	Very high	71 Å²	71	29.9 Å²	29.9	50%	0.497	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-16.2	178.8	65.3	0	0	0	0	114.7	D482 S487	D482-S485 WeakPolarHBondContact CB-OG 3.28Å; D482-S485 PolarHBondContact O-N 2.87Å; D482-S485 WeakPolarHBondContact OD2-CB 3.1Å; D482-S485 PolarHBondContact OD2-N 2.63Å; D482-S485 PolarHBondContact OD2-OG 2.86Å; S485-S487 PolarHBondContact O-N 3.28Å; S485-S487 WeakPolarHBondContact OG-CB 3.44Å; S485-S487 PolarHBondContact OG-N 2.83Å; S485-S487 PolarHBondContact OG-OG 2.77Å
486	G	83.8	Confident	90.7	Very high	19 Å²	19	29.3 Å²	29.3	20%	0.196	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	21.8	-170.2	0	0	0	0	0	112.9	S458 G459 D482	S458-G486 CarbonylContact C-O 3.55Å; S458-G486 WeakPolarHBondContact CA-O 3.04Å; S458-G486 WeakPolarHBondContact CB-O 3.5Å; G459-G486 PolarHBondContact N-O 3.29Å; G459-G486 VanDerWaalsContact O-O 3.05Å; D482-G486 WeakPolarHBondContact O-CA 3.43Å; D482-G486 PolarHBondContact O-N 2.88Å
487	S	90.2	Very high	90.4	Very high	42 Å²	42	29.8 Å²	29.8	29%	0.294	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	152.1	174	67.8	0	0	0	0	111.3	I457 D482 S485	I457-S487 WeakPolarHBondContact O-CA 3.18Å; D482-S487 PolarHBondContact N-O 3.14Å; S485-S487 PolarHBondContact O-N 3.28Å; S485-S487 WeakPolarHBondContact OG-CB 3.44Å; S485-S487 PolarHBondContact OG-N 2.83Å; S485-S487 PolarHBondContact OG-OG 2.77Å
488	C	93.4	Very high	90.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152	178.6	47.8	0	0	0	0	112.6	K456 I457 C464 N480 F481	K456-C488 VanDerWaalsContact CA-O 3.31Å; K456-C488 WeakPolarHBondContact CA-O 3.43Å; I457-C488 WeakPolarHBondContact CG1-SG 3.41Å; I457-C488 PolarHBondContact N-O 3Å; I457-C488 PolarHBondContact O-N 3.41Å; C464-C488 HydrophobicContact CB-CB 3.71Å; C464-C488 WeakPolarHBondContact CB-SG 3.39Å; C464-C488 WeakPolarHBondContact SG-CB 3.38Å; C464-C488 CovalentContact SG-SG 2.03Å; C464-C488 PolarHBondContact SG-SG 3.2Å; N480-C488 CarbonylContact O-C 3.59Å; N480-C488 WeakPolarHBondContact O-CA 3.26Å; N480-C488 WeakPolarHBondContact O-CB 3.36Å; F481-C488 HydrophobicContact CB-CB 4.34Å; F481-C488 HydrophobicContact CD2-CB 4.12Å
489	E	95.5	Very high	89.7	Confident	46 Å²	46	33.4 Å²	33.4	22%	0.215	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	110.8	-175.2	-47.2	178.5	116.5	0	0	106.9	V448 K456 M479 N480 L491	V448-E489 VanDerWaalsContact CG2-OE2 3.3Å; V448-E489 WeakPolarHBondContact CG2-OE2 3.47Å; K456-E489 HydrophobicContact CD-CG 4.05Å; K456-E489 VanDerWaalsContact CE-OE1 3.28Å; K456-E489 WeakPolarHBondContact CE-OE1 3.3Å; K456-E489 HydrophobicContact CG-CB 4.39Å; K456-E489 HydrophobicContact CG-CG 4.2Å; K456-E489 IonicContact NZ-OE1 3.79Å; K456-E489 PolarHBondContact NZ-OE1 2.79Å; M479-E489 CarbonylContact C-O 3.37Å; M479-E489 WeakPolarHBondContact CA-O 3.5Å; M479-E489 WeakPolarHBondContact CB-O 3.33Å; N480-E489 HydrophobicContact CB-CB 4.23Å; N480-E489 HydrophobicContact CB-CG 4.48Å; N480-E489 PolarHBondContact N-O 3.17Å; N480-E489 PolarHBondContact ND2-OE2 2.86Å; N480-E489 PolarHBondContact O-N 2.86Å; E489-L491 HydrophobicContact CB-CD2 4.34Å
490	L	94.4	Very high	89.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.2	-179.7	-53.2	-172.7	0	0	0	108.8	L454 Q455 I457 C468 F472 M479	L454-L490 HydrophobicContact CB-CB 4.4Å; L454-L490 WeakPolarHBondContact CB-O 3.27Å; L454-L490 PolarHBondContact N-O 2.92Å; Q455-L490 PolarHBondContact O-N 3.5Å; I457-L490 HydrophobicContact CD1-CD1 4.1Å; C468-L490 HydrophobicContact CB-CD2 4.12Å; F472-L490 HydrophobicContact CD2-CD1 3.78Å; F472-L490 HydrophobicContact CE2-CD1 3.89Å; M479-L490 HydrophobicContact CB-CD2 3.81Å; M479-L490 HydrophobicContact SD-CD2 4.18Å
491	L	92.8	Very high	89.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142	-166.7	-51.2	177.5	0	0	0	112	L446 V448 N452 R477 S478 E489	L446-L491 HydrophobicContact CB-CD1 3.78Å; L446-L491 HydrophobicContact CD2-CD1 3.93Å; L446-L491 HydrophobicContact CG-CD1 4.37Å; V448-L491 HydrophobicContact CG1-CD2 4.25Å; V448-L491 HydrophobicContact CG2-CD1 4.43Å; V448-L491 HydrophobicContact CG2-CD2 4Å; N452-L491 VanDerWaalsContact O-CA 3.3Å; N452-L491 WeakPolarHBondContact O-CA 3.39Å; R477-L491 PolarHBondContact N-O 3.26Å; S478-L491 PolarHBondContact N-O 2.93Å; S478-L491 PolarHBondContact O-N 2.82Å; E489-L491 HydrophobicContact CB-CD2 4.34Å
492	F	88.6	Confident	89.1	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.031	26%	0.258	C	S	.	.	S	Bend	trans	-82.6	-19.2	175.1	93.3	-104.9	0	0	0	113.2	V244 K329 N451 N452 L454 K475 R477	V244-F492 HydrophobicContact CB-CE2 4.41Å; V244-F492 HydrophobicContact CG2-CD2 3.64Å; V244-F492 HydrophobicContact CG2-CE2 3.66Å; K329-F492 HydrophobicContact CD-CD1 4.39Å; K329-F492 HydrophobicContact CG-CD1 4Å; K329-F492 HydrophobicContact CG-CE1 4.16Å; K329-F492 HydrophobicContact CG-CG 4.5Å; N451-F492 WeakPolarHBondContact O-CD1 3.07Å; N451-F492 VanDerWaalsContact O-CE1 3.27Å; N451-F492 WeakPolarHBondContact O-CE1 3.48Å; N452-F492 HydrophobicContact CB-CD1 4.34Å; N452-F492 HydrophobicContact CB-CE1 4.28Å; N452-F492 PolarHBondContact O-N 2.85Å; L454-F492 HydrophobicContact CD1-CB 4.11Å; L454-F492 HydrophobicContact CD2-CB 3.95Å; L454-F492 HydrophobicContact CG-CB 4.01Å; K475-F492 WeakPolarHBondContact O-CA 3.02Å; R477-F492 VanDerWaalsContact CD-O 3.27Å; R477-F492 WeakPolarHBondContact CD-O 3.45Å; R477-F492 VanDerWaalsContact CG-O 3.3Å; R477-F492 WeakPolarHBondContact CG-O 3.02Å
493	T	89.3	Confident	89.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.			trans	-92.3	174.9	178.5	52.3	0	0	0	0	112.1	L446 N452 S478 S497	L446-T493 VanDerWaalsContact CD2-OG1 3.26Å; L446-T493 WeakPolarHBondContact CD2-OG1 3.03Å; N452-T493 HydrophobicContact CB-CG2 3.78Å; N452-T493 WeakPolarHBondContact CB-OG1 3.38Å; S478-T493 WeakPolarHBondContact CB-O 3.33Å; S478-T493 PolarHBondContact OG-O 3.06Å; T493-S497 WeakPolarHBondContact CB-OG 3.08Å
494	N	90.8	Very high	89	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.134	27%	0.274	C	S	.	.			trans	-145.4	-174.4	172.2	75.1	-28.7	0	0	0	110.7	L496 S497 E510	N494-L496 PolarHBondContact O-N 2.79Å; N494-L496 PolarHBondContact OD1-N 3.23Å; N494-S497 PolarHBondContact O-N 3.27Å; N494-S497 VanDerWaalsContact O-N 3.14Å; N494-S497 PolarHBondContact O-OG 3.45Å; N494-E510 HydrophobicContact CB-CG 4.23Å; N494-E510 WeakPolarHBondContact CB-OE1 3.4Å; N494-E510 PolarHBondContact ND2-OE1 2.65Å
495	R	90.5	Very high	89.1	Confident	49 Å²	49	48 Å²	48	19%	0.185	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-11.4	-177.1	78	-178	-172	-97.1	5.5	115.7	L500 Y508 E510	R495-L500 HydrophobicContact CB-CD1 3.84Å; R495-L500 HydrophobicContact CB-CG 4.15Å; R495-Y508 PolarHBondContact N-OH 2.87Å; R495-E510 VanDerWaalsContact CD-OE2 3.28Å; R495-E510 WeakPolarHBondContact CD-OE2 3.32Å; R495-E510 VanDerWaalsContact CG-OE2 3.26Å; R495-E510 WeakPolarHBondContact CG-OE2 3.33Å; R495-E510 IonicContact CZ-OE2 2.65Å; R495-E510 IonicContact NE-OE2 3.11Å; R495-E510 IonicContact NH1-OE1 2.71Å; R495-E510 PolarHBondContact NH1-OE1 2.04Å; R495-E510 IonicContact NH1-OE2 2.66Å; R495-E510 PolarHBondContact NH1-OE2 3.2Å
496	L	87.5	Confident	89.4	Confident	49 Å²	49	45.1 Å²	45.1	26%	0.257	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-23	177.5	-62.5	177.3	0	0	0	113.3	T274 N494	T274-L496 HydrophobicContact CG2-CD1 3.56Å; N494-L496 PolarHBondContact O-N 2.79Å; N494-L496 PolarHBondContact OD1-N 3.23Å
497	S	83.5	Confident	89.8	Confident	10 Å²	10	45 Å²	45	7%	0.07	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-32.4	179.3	82.2	0	0	0	0	112.8	S240 G241 S243 T493 N494	S240-S497 CarbonylContact C-O 3.59Å; G241-S497 PolarHBondContact N-O 2.8Å; G241-S497 WeakPolarHBondContact O-CB 2.98Å; G241-S497 PolarHBondContact O-OG 3.24Å; S243-S497 WeakPolarHBondContact O-CB 3.22Å; T493-S497 WeakPolarHBondContact CB-OG 3.08Å; N494-S497 PolarHBondContact O-N 3.27Å; N494-S497 VanDerWaalsContact O-N 3.14Å; N494-S497 PolarHBondContact O-OG 3.45Å
498	T	82.1	Confident	90.1	Very high	24 Å²	24	43 Å²	43	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-146.6	136.1	-178.4	-64.2	0	0	0	0	108.9	G241 L446 P447	G241-T498 WeakPolarHBondContact CA-OG1 3.3Å; G241-T498 PolarHBondContact O-OG1 3.15Å; L446-T498 HydrophobicContact CD1-CG2 4.46Å; L446-T498 WeakPolarHBondContact CD1-O 3.27Å; P447-T498 HydrophobicContact CB-CG2 4.41Å; P447-T498 HydrophobicContact CG-CG2 3.86Å
499	P	85.8	Confident	90.1	Very high	104 Å²	104	43.2 Å²	43.2	68%	0.675	21%	0.214	S	C	*	.			trans	-66.5	146.5	176.3	27.7	-35.1	0	0	0	111.9	P447	P447-P499 WeakPolarHBondContact CD-O 3.36Å
500	L	90.4	Very high	90	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	21%	0.207	C	C	.	.			trans	-72.1	149	176.7	-69.8	161.2	0	0	0	111.4	M441 Q445 L446 R495 Y508 M529	M441-L500 HydrophobicContact SD-CD1 3.52Å; M441-L500 VanDerWaalsContact SD-CD1 3.52Å; Q445-L500 VanDerWaalsContact C-CD2 3.49Å; L446-L500 HydrophobicContact CB-CD2 3.86Å; L446-L500 HydrophobicContact CD1-CD2 3.8Å; L446-L500 HydrophobicContact CD1-CG 4.29Å; L446-L500 HydrophobicContact CG-CD2 4.45Å; R495-L500 HydrophobicContact CB-CD1 3.84Å; R495-L500 HydrophobicContact CB-CG 4.15Å; L500-Y508 HydrophobicContact CD1-CD1 3.75Å; L500-Y508 HydrophobicContact CD1-CE1 3.73Å; L500-Y508 HydrophobicContact CD1-CG 4.38Å; L500-Y508 HydrophobicContact CD2-CD1 3.78Å; L500-Y508 HydrophobicContact CD2-CD2 3.58Å; L500-Y508 HydrophobicContact CD2-CE1 3.94Å; L500-Y508 HydrophobicContact CD2-CE2 3.75Å; L500-Y508 HydrophobicContact CD2-CG 3.58Å; L500-Y508 HydrophobicContact CG-CD1 4.45Å; L500-Y508 HydrophobicContact CG-CE1 4.44Å; L500-M529 HydrophobicContact CD1-CE 3.46Å; L500-M529 VanDerWaalsContact CD1-CE 3.46Å
501	I	92.6	Very high	89.8	Confident	80 Å²	80	42.8 Å²	42.8	41%	0.41	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.1	175.9	59.2	169.5	0	0	0	110.6	Q445 P447	Q445-I501 HydrophobicContact CG-CD1 4.09Å; Q445-I501 HydrophobicContact CG-CG1 3.66Å; Q445-I501 PolarHBondContact N-O 2.79Å; Q445-I501 WeakPolarHBondContact O-CG1 3.31Å; Q445-I501 PolarHBondContact O-N 3.4Å; P447-I501 HydrophobicContact CG-CD1 4.18Å; P447-I501 HydrophobicContact CG-CG1 4.18Å; P447-I501 HydrophobicContact CG-CG2 4.06Å
502	Q	90.5	Very high	89.6	Confident	158 Å²	158	44 Å²	44	74%	0.738	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	136.4	179.5	-166.4	-177.9	19.4	0	0	111.2	E443	E443-Q502 WeakPolarHBondContact O-CA 3.17Å; E443-Q502 WeakPolarHBondContact O-CG 3.29Å
503	S	90.1	Very high	89.5	Confident	19 Å²	19	44.9 Å²	44.9	13%	0.133	23%	0.225	C	C	.	.			trans	-142.6	129.8	175.8	-177.3	0	0	0	0	111.6	E443 S505 T506	E443-S503 CarbonylContact C-O 3.55Å; E443-S503 WeakPolarHBondContact CA-O 3.41Å; E443-S503 WeakPolarHBondContact CB-O 3.34Å; E443-S503 PolarHBondContact O-N 3.07Å; S503-S505 PolarHBondContact O-N 2.8Å; S503-T506 WeakPolarHBondContact CB-OG1 3.45Å; S503-T506 PolarHBondContact OG-OG1 3.36Å
504	R	86.2	Confident	89.6	Confident	228 Å²	228	44.9 Å²	44.9	86%	0.86	23%	0.225	S	C	*	.	S	Bend	trans	-76.7	-2.3	-173.7	-64.5	-176.3	179.9	-175.5	-2	115.7
505	S	87.8	Confident	89.5	Confident	41 Å²	41	45.5 Å²	45.5	29%	0.287	23%	0.231	S	C	.	.	S	Bend	trans	-134.6	-8.8	-179.7	61	0	0	0	0	113.4	T483 S503	T483-S505 WeakPolarHBondContact CB-O 3.5Å; T483-S505 PolarHBondContact N-O 3.41Å; T483-S505 PolarHBondContact OG1-O 3.08Å; S503-S505 PolarHBondContact O-N 2.8Å
506	T	91.3	Very high	89.1	Confident	10 Å²	10	44.6 Å²	44.6	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.7	-178.3	-27.5	0	0	0	0	109.9	E443 S444 Q445 N480 F481 S503	E443-T506 CarbonylContact C-O 3.43Å; E443-T506 VanDerWaalsContact CA-O 3.28Å; E443-T506 WeakPolarHBondContact CA-O 3.18Å; E443-T506 PolarHBondContact N-O 3.35Å; S444-T506 PolarHBondContact N-O 3.49Å; S444-T506 CarbonylContact O-C 3.54Å; S444-T506 VanDerWaalsContact O-O 3.08Å; Q445-T506 HydrophobicContact CB-CG2 3.91Å; Q445-T506 PolarHBondContact OE1-OG1 2.99Å; N480-T506 HydrophobicContact CB-CG2 3.86Å; F481-T506 CarbonylContact O-C 3.6Å; F481-T506 WeakPolarHBondContact O-CA 3.21Å; F481-T506 WeakPolarHBondContact O-CG2 3.1Å; S503-T506 WeakPolarHBondContact CB-OG1 3.45Å; S503-T506 PolarHBondContact OG-OG1 3.36Å
507	D	92.8	Very high	88.4	Confident	17 Å²	17	48.7 Å²	48.7	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.9	164.1	-77.4	-5.1	0	0	0	108.9	R440 A442 E443 S444 F481 F509	R440-D507 WeakPolarHBondContact CD-OD2 3.37Å; R440-D507 HydrophobicContact CG-CB 4.29Å; R440-D507 IonicContact CZ-OD2 3.29Å; R440-D507 IonicContact NE-OD2 2.72Å; R440-D507 IonicContact NH1-OD2 2.8Å; R440-D507 PolarHBondContact NH1-OD2 3.42Å; A442-D507 VanDerWaalsContact CA-OD1 3.26Å; A442-D507 WeakPolarHBondContact CA-OD1 3.4Å; E443-D507 PolarHBondContact N-OD1 3.37Å; S444-D507 CarbonylContact O-C 3.58Å; S444-D507 VanDerWaalsContact O-C 3.28Å; F481-D507 PolarHBondContact N-O 2.86Å; F481-D507 PolarHBondContact O-N 2.62Å; D507-F509 HydrophobicContact CB-CD2 4.39Å; D507-F509 HydrophobicContact CB-CE2 3.69Å; D507-F509 HydrophobicContact CB-CZ 4.34Å
508	Y	95.9	Very high	87.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.1	174.6	169.3	-98.6	0	0	0	109.7	R440 M441 S444 L446 S478 R495 L500 E510	R440-Y508 CarbonylContact C-O 3.18Å; R440-Y508 WeakPolarHBondContact CA-O 3.43Å; M441-Y508 HydrophobicContact CB-CD1 4.16Å; M441-Y508 HydrophobicContact CE-CD1 4.04Å; M441-Y508 HydrophobicContact CE-CE1 3.77Å; M441-Y508 HydrophobicContact CG-CD1 4.31Å; M441-Y508 PolarHBondContact N-O 2.94Å; M441-Y508 PolarHBondContact O-N 3.21Å; M441-Y508 HydrophobicContact SD-CD1 3.54Å; M441-Y508 VanDerWaalsContact SD-CD1 3.54Å; M441-Y508 HydrophobicContact SD-CE1 3.68Å; S444-Y508 WeakPolarHBondContact O-CB 3.36Å; S444-Y508 PolarHBondContact O-N 3.03Å; L446-Y508 HydrophobicContact CB-CD2 4.11Å; L446-Y508 HydrophobicContact CB-CE2 3.93Å; L446-Y508 HydrophobicContact CD2-CE2 4.41Å; S478-Y508 VanDerWaalsContact CB-CE2 3.42Å; S478-Y508 WeakPolarHBondContact CB-OH 3.27Å; S478-Y508 WeakPolarHBondContact OG-CE2 3.43Å; R495-Y508 PolarHBondContact N-OH 2.87Å; L500-Y508 HydrophobicContact CD1-CD1 3.75Å; L500-Y508 HydrophobicContact CD1-CE1 3.73Å; L500-Y508 HydrophobicContact CD1-CG 4.38Å; L500-Y508 HydrophobicContact CD2-CD1 3.78Å; L500-Y508 HydrophobicContact CD2-CD2 3.58Å; L500-Y508 HydrophobicContact CD2-CE1 3.94Å; L500-Y508 HydrophobicContact CD2-CE2 3.75Å; L500-Y508 HydrophobicContact CD2-CG 3.58Å; L500-Y508 HydrophobicContact CG-CD1 4.45Å; L500-Y508 HydrophobicContact CG-CE1 4.44Å; Y508-E510 HydrophobicContact CE1-CB 3.75Å; Y508-E510 HydrophobicContact CE1-CG 4.46Å; Y508-E510 WeakPolarHBondContact CE1-OE2 3.29Å; Y508-E510 PolarHBondContact OH-OE2 2.98Å
509	F	94.4	Very high	86.8	Confident	4 Å²	4	53 Å²	53	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	176.8	-63.5	-106.7	0	0	0	110.1	I439 R440 A461 L465 S478 M479 F481 D507 Y523	I439-F509 WeakPolarHBondContact O-CA 3.09Å; R440-F509 HydrophobicContact CB-CD1 3.77Å; R440-F509 HydrophobicContact CB-CE1 3.69Å; R440-F509 HydrophobicContact CB-CG 4.47Å; R440-F509 HydrophobicContact CB-CZ 4.31Å; R440-F509 VanDerWaalsContact CD-CE1 3.47Å; R440-F509 HydrophobicContact CG-CD1 3.92Å; R440-F509 HydrophobicContact CG-CD2 4.42Å; R440-F509 HydrophobicContact CG-CE1 3.55Å; R440-F509 HydrophobicContact CG-CE2 4.07Å; R440-F509 HydrophobicContact CG-CG 4.36Å; R440-F509 HydrophobicContact CG-CZ 3.64Å; A461-F509 HydrophobicContact CB-CE2 4.3Å; A461-F509 HydrophobicContact CB-CZ 3.91Å; L465-F509 HydrophobicContact CD1-CD1 3.78Å; L465-F509 HydrophobicContact CD1-CE1 4.09Å; L465-F509 HydrophobicContact CD1-CG 4.41Å; L465-F509 HydrophobicContact CD2-CB 3.94Å; L465-F509 HydrophobicContact CD2-CD1 4.46Å; L465-F509 HydrophobicContact CD2-CG 4.41Å; S478-F509 CarbonylContact C-O 3.56Å; S478-F509 VanDerWaalsContact CA-O 3.24Å; S478-F509 WeakPolarHBondContact CA-O 3.29Å; S478-F509 WeakPolarHBondContact CB-O 3.5Å; M479-F509 HydrophobicContact CE-CB 3.97Å; M479-F509 HydrophobicContact CE-CD1 4.36Å; M479-F509 HydrophobicContact CE-CD2 3.34Å; M479-F509 HydrophobicContact CE-CE2 3.8Å; M479-F509 HydrophobicContact CE-CG 3.66Å; M479-F509 HydrophobicContact CE-CZ 4.45Å; M479-F509 HydrophobicContact CG-CB 3.88Å; M479-F509 HydrophobicContact CG-CD2 4.46Å; M479-F509 PolarHBondContact N-O 3.48Å; M479-F509 PolarHBondContact O-N 3.02Å; F481-F509 HydrophobicContact CB-CD2 4.37Å; F481-F509 HydrophobicContact CB-CE2 3.99Å; F481-F509 HydrophobicContact CD1-CE2 4.45Å; D507-F509 HydrophobicContact CB-CD2 4.39Å; D507-F509 HydrophobicContact CB-CE2 3.69Å; D507-F509 HydrophobicContact CB-CZ 4.34Å; F509-Y523 HydrophobicContact CD1-CD1 4.44Å; F509-Y523 HydrophobicContact CD1-CG 4.49Å; F509-Y523 AromaticContact CE1-CD1 3.73Å; F509-Y523 HydrophobicContact CE1-CD1 3.73Å; F509-Y523 HydrophobicContact CE1-CE1 4.1Å; F509-Y523 HydrophobicContact CE1-CG 4.13Å
510	E	92.9	Very high	85.4	Confident	12 Å²	12	50 Å²	50	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.1	177.2	-164.6	162.1	162.4	0	0	110.6	S438 I439 M441 N494 R495 Y508	S438-E510 CarbonylContact C-O 3.52Å; S438-E510 WeakPolarHBondContact CA-O 2.9Å; S438-E510 VanDerWaalsContact CB-O 3.28Å; S438-E510 WeakPolarHBondContact CB-O 2.99Å; I439-E510 PolarHBondContact N-O 2.86Å; I439-E510 PolarHBondContact O-N 3.06Å; M441-E510 HydrophobicContact CE-CB 4.19Å; N494-E510 HydrophobicContact CB-CG 4.23Å; N494-E510 WeakPolarHBondContact CB-OE1 3.4Å; N494-E510 PolarHBondContact ND2-OE1 2.65Å; R495-E510 VanDerWaalsContact CD-OE2 3.28Å; R495-E510 WeakPolarHBondContact CD-OE2 3.32Å; R495-E510 VanDerWaalsContact CG-OE2 3.26Å; R495-E510 WeakPolarHBondContact CG-OE2 3.33Å; R495-E510 IonicContact CZ-OE2 2.65Å; R495-E510 IonicContact NE-OE2 3.11Å; R495-E510 IonicContact NH1-OE1 2.71Å; R495-E510 PolarHBondContact NH1-OE1 2.04Å; R495-E510 IonicContact NH1-OE2 2.66Å; R495-E510 PolarHBondContact NH1-OE2 3.2Å; Y508-E510 HydrophobicContact CE1-CB 3.75Å; Y508-E510 HydrophobicContact CE1-CG 4.46Å; Y508-E510 WeakPolarHBondContact CE1-OE2 3.29Å; Y508-E510 PolarHBondContact OH-OE2 2.98Å
511	H	89.2	Confident	84.3	Confident	25 Å²	25	49.7 Å²	49.7	12%	0.116	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	135.7	175.6	-163.9	-45	0	0	0	110.6	R333 T437 R477	R333-H511 PolarHBondContact NH2-CD2 2.83Å; R333-H511 VanDerWaalsContact NH2-CD2 3.31Å; R333-H511 PolarHBondContact NH2-CE1 2.79Å; R333-H511 PolarHBondContact NH2-ND1 2.75Å; R333-H511 PolarHBondContact NH2-NE2 3.23Å; T437-H511 PolarHBondContact O-ND1 3.37Å; R477-H511 WeakPolarHBondContact O-CB 3.01Å; R477-H511 PolarHBondContact O-N 3.35Å
512	I	89	Confident	83.1	Confident	25 Å²	25	46.9 Å²	46.9	13%	0.128	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.7	175.2	-169	165.8	0	0	0	110.3	T437 I439 I514 P548	T437-I512 HydrophobicContact CG2-CG2 3.75Å; T437-I512 PolarHBondContact N-O 3.06Å; T437-I512 PolarHBondContact O-N 3.46Å; I439-I512 HydrophobicContact CD1-CD1 3.87Å; I439-I512 HydrophobicContact CD1-CG2 4.18Å; I439-I512 HydrophobicContact CG1-CG2 4.03Å; I512-I514 HydrophobicContact CD1-CG1 4.34Å; I512-I514 HydrophobicContact CG1-CG1 4.11Å; I512-I514 HydrophobicContact CG2-CD1 3.95Å; I512-I514 HydrophobicContact CG2-CG1 3.96Å; I512-P548 HydrophobicContact CD1-CG 4.26Å
513	C	87.7	Confident	82.8	Confident	26 Å²	26	40.4 Å²	40.4	18%	0.176	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.1	166.1	-60.2	0	0	0	0	107.5	C430 S435	C430-C513 VanDerWaalsContact CA-SG 3.57Å; C430-C513 HydrophobicContact CB-CB 3.67Å; C430-C513 WeakPolarHBondContact CB-SG 3.5Å; C430-C513 WeakPolarHBondContact SG-CB 3.15Å; C430-C513 CovalentContact SG-SG 2.04Å; C430-C513 PolarHBondContact SG-SG 3.02Å; S435-C513 WeakPolarHBondContact O-CA 3.43Å
514	I	89.6	Confident	82.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.8	-176.6	-63.8	-175.8	0	0	0	108.9	T434 S435 T437 I512 I518 F525 L551 A552 L555	T434-I514 CarbonylContact C-O 3.13Å; T434-I514 WeakPolarHBondContact CA-O 3.03Å; T434-I514 WeakPolarHBondContact CB-O 3.32Å; S435-I514 PolarHBondContact N-O 2.82Å; S435-I514 PolarHBondContact O-N 3.11Å; T437-I514 HydrophobicContact CG2-CD1 3.62Å; T437-I514 HydrophobicContact CG2-CG1 4.06Å; I512-I514 HydrophobicContact CD1-CG1 4.34Å; I512-I514 HydrophobicContact CG1-CG1 4.11Å; I512-I514 HydrophobicContact CG2-CD1 3.95Å; I512-I514 HydrophobicContact CG2-CG1 3.96Å; I514-I518 HydrophobicContact CB-CD1 3.79Å; I514-I518 HydrophobicContact CD1-CD1 4.24Å; I514-I518 HydrophobicContact CG1-CD1 4.47Å; I514-I518 HydrophobicContact CG2-CD1 3.99Å; I514-F525 HydrophobicContact CD1-CE2 4.5Å; I514-L551 HydrophobicContact CD1-CB 4.05Å; I514-L551 HydrophobicContact CD1-CD1 4.15Å; I514-A552 HydrophobicContact CG2-CB 3.71Å; I514-L555 HydrophobicContact CG2-CD1 4.3Å
515	P	89.3	Confident	82.8	Confident	38 Å²	38	28.6 Å²	28.6	25%	0.247	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	140.7	175.1	-27.4	35.1	0	0	0	113.8	A552	P515-A552 HydrophobicContact CB-CB 4.16Å; P515-A552 HydrophobicContact CG-CB 4.45Å
516	G	82.2	Confident	83	Confident	30 Å²	30	28.2 Å²	28.2	31%	0.309	18%	0.183	S	C	.	.	S	Bend	trans	90.3	-174	-177.5	0	0	0	0	0	114.2	Q433 S435	Q433-G516 PolarHBondContact O-N 3.31Å; S435-G516 WeakPolarHBondContact CB-O 3.06Å; S435-G516 PolarHBondContact N-O 2.87Å; S435-G516 PolarHBondContact OG-O 3.13Å
517	T	73.8	Confident	83.1	Confident	136 Å²	136	28.3 Å²	28.3	83%	0.834	18%	0.183	S	C	*	.			trans	-96.8	120.3	-175.5	50.1	0	0	0	0	112.1	S435	S435-T517 VanDerWaalsContact OG-CA 3.29Å; S435-T517 WeakPolarHBondContact OG-CA 3.48Å
518	I	73.2	Confident	83	Confident	31 Å²	31	30 Å²	30	16%	0.159	19%	0.194	C	C	.	.			trans	-119.8	105.7	175.6	-54.6	178.2	0	0	0	109.1	S435 T437 I514 C521 L555	S435-I518 PolarHBondContact OG-N 2.93Å; T437-I518 HydrophobicContact CG2-CD1 3.77Å; I514-I518 HydrophobicContact CB-CD1 3.79Å; I514-I518 HydrophobicContact CD1-CD1 4.24Å; I514-I518 HydrophobicContact CG1-CD1 4.47Å; I514-I518 HydrophobicContact CG2-CD1 3.99Å; I518-C521 HydrophobicContact CG2-CB 4.47Å; I518-L555 HydrophobicContact CD1-CD1 3.41Å; I518-L555 VanDerWaalsContact CD1-CD1 3.41Å; I518-L555 HydrophobicContact CG1-CD1 3.85Å
519	S	57.9	Low	82.6	Confident	94 Å²	94	33.5 Å²	33.5	66%	0.657	21%	0.211	S	C	*	.			trans	-107.5	160	179.4	51.7	0	0	0	0	112.2	C521	S519-C521 PolarHBondContact O-N 3.36Å; S519-C521 PolarHBondContact O-SG 2.9Å; S519-C521 VanDerWaalsContact O-SG 3.33Å
520	G	56.7	Low	82.4	Confident	40 Å²	40	37.7 Å²	37.7	41%	0.412	23%	0.234	S	C	.	.	S	Bend	trans	70.6	-25.4	169.7	0	0	0	0	0	117.1	E615	G520-E615 WeakPolarHBondContact O-CA 3.47Å
521	C	66.6	Low	82.3	Confident	30 Å²	30	39.9 Å²	39.9	20%	0.203	24%	0.243	C	C	.	.			trans	-90	133.4	-167.8	-58.1	0	0	0	0	114.2	I518 S519 C594	I518-C521 HydrophobicContact CG2-CB 4.47Å; S519-C521 PolarHBondContact O-N 3.36Å; S519-C521 PolarHBondContact O-SG 2.9Å; S519-C521 VanDerWaalsContact O-SG 3.33Å; C521-C594 HydrophobicContact CB-CB 3.59Å; C521-C594 WeakPolarHBondContact CB-SG 3.32Å; C521-C594 WeakPolarHBondContact SG-CA 3.2Å; C521-C594 WeakPolarHBondContact SG-CB 3.28Å; C521-C594 CovalentContact SG-SG 2.03Å; C521-C594 PolarHBondContact SG-SG 2.87Å
522	V	68.3	Low	82.4	Confident	20 Å²	20	38.9 Å²	38.9	12%	0.121	24%	0.239	C	C	.	.	S	Bend	trans	-64.3	-53.6	175.8	-177	0	0	0	0	111.3	A462 L465 R469 N639	A462-V522 HydrophobicContact CB-CG1 3.8Å; A462-V522 HydrophobicContact CB-CG2 3.82Å; L465-V522 HydrophobicContact CD1-CG1 3.53Å; R469-V522 PolarHBondContact NH2-O 2.79Å; V522-N639 WeakPolarHBondContact CG2-ND2 3.46Å
523	Y	83.9	Confident	82.5	Confident	22 Å²	22	38 Å²	38	9%	0.086	24%	0.236	C	C	.	.			trans	-139.5	150	173.7	60.4	-84.7	0	0	0	107.3	S438 R440 F509 D526 V593 K611	S438-Y523 CarbonylContact O-C 3.58Å; S438-Y523 WeakPolarHBondContact O-CA 3.05Å; S438-Y523 WeakPolarHBondContact O-CB 3.49Å; R440-Y523 HydrophobicContact CB-CD2 3.8Å; R440-Y523 HydrophobicContact CB-CE2 3.94Å; R440-Y523 HydrophobicContact CB-CG 4.26Å; R440-Y523 PolarHBondContact NE-OH 2.02Å; F509-Y523 HydrophobicContact CD1-CD1 4.44Å; F509-Y523 HydrophobicContact CD1-CG 4.49Å; F509-Y523 AromaticContact CE1-CD1 3.73Å; F509-Y523 HydrophobicContact CE1-CD1 3.73Å; F509-Y523 HydrophobicContact CE1-CE1 4.1Å; F509-Y523 HydrophobicContact CE1-CG 4.13Å; Y523-D526 VanDerWaalsContact CE2-OD1 3.28Å; Y523-D526 WeakPolarHBondContact CE2-OD1 3.23Å; Y523-V593 HydrophobicContact CD2-CB 4.43Å; Y523-V593 HydrophobicContact CD2-CG1 4.43Å; Y523-V593 HydrophobicContact CE2-CB 4.09Å; Y523-V593 HydrophobicContact CE2-CG1 3.81Å; Y523-V593 HydrophobicContact CE2-CG2 3.97Å; Y523-K611 PolarHBondContact OH-NZ 3.28Å
524	A	85.7	Confident	82.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-91.5	-31.2	-173	0	0	0	0	0	113.8	T437 S438 V593 C594	T437-A524 HydrophobicContact CG2-CB 3.8Å; T437-A524 WeakPolarHBondContact OG1-CB 3.43Å; T437-A524 PolarHBondContact OG1-N 3.3Å; S438-A524 PolarHBondContact O-N 2.86Å; A524-V593 PolarHBondContact O-N 2.8Å; A524-C594 HydrophobicContact CB-CB 4.15Å; A524-C594 PolarHBondContact O-N 3.46Å
525	F	91.3	Very high	82.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.2	-174.5	-66.5	-91.2	0	0	0	113	I439 R440 I514 L551 C554 L555 S591 K592	I439-F525 WeakPolarHBondContact CA-O 3.44Å; R440-F525 PolarHBondContact N-O 3.03Å; I514-F525 HydrophobicContact CD1-CE2 4.5Å; F525-L551 HydrophobicContact CD1-CD2 3.92Å; F525-L551 HydrophobicContact CD2-CB 4.36Å; F525-L551 HydrophobicContact CD2-CD1 3.98Å; F525-L551 HydrophobicContact CD2-CD2 4Å; F525-L551 HydrophobicContact CD2-CG 4.33Å; F525-L551 HydrophobicContact CE1-CD2 3.83Å; F525-L551 HydrophobicContact CE2-CB 3.74Å; F525-L551 HydrophobicContact CE2-CD1 4.22Å; F525-L551 HydrophobicContact CE2-CD2 3.91Å; F525-L551 HydrophobicContact CE2-CG 4.15Å; F525-L551 HydrophobicContact CG-CD1 4.5Å; F525-L551 HydrophobicContact CG-CD2 4.03Å; F525-L551 HydrophobicContact CZ-CB 4.03Å; F525-L551 HydrophobicContact CZ-CD2 3.82Å; F525-L551 HydrophobicContact CZ-CG 4.43Å; F525-C554 HydrophobicContact CE1-CB 4.47Å; F525-C554 HydrophobicContact CZ-CB 4.36Å; F525-L555 HydrophobicContact CE2-CD1 4.15Å; F525-L555 HydrophobicContact CE2-CD2 3.76Å; F525-L555 HydrophobicContact CE2-CG 3.85Å; F525-L555 HydrophobicContact CZ-CD2 3.66Å; F525-L555 HydrophobicContact CZ-CG 3.81Å; F525-S591 CarbonylContact C-O 3.6Å; F525-S591 WeakPolarHBondContact CA-O 3.28Å; F525-S591 WeakPolarHBondContact CD1-O 3.47Å; F525-K592 HydrophobicContact CD1-CB 4.4Å; F525-K592 HydrophobicContact CE1-CB 3.99Å; F525-K592 HydrophobicContact CE1-CG 4.31Å
526	D	91.2	Very high	82.4	Confident	33 Å²	33	45.4 Å²	45.4	18%	0.176	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.7	160.4	-83.8	-27	0	0	0	109.3	R440 Y523 Y590 S591 V593	R440-D526 IonicContact CZ-OD1 2.81Å; R440-D526 IonicContact CZ-OD2 3.91Å; R440-D526 IonicContact NE-OD1 3.93Å; R440-D526 PolarHBondContact NE-OD1 3.28Å; R440-D526 IonicContact NH2-OD1 2.89Å; R440-D526 PolarHBondContact NH2-OD1 3.42Å; R440-D526 IonicContact NH2-OD2 3.17Å; R440-D526 PolarHBondContact NH2-OD2 2.61Å; R440-D526 CarbonylContact O-C 3.5Å; R440-D526 WeakPolarHBondContact O-CA 3.16Å; Y523-D526 VanDerWaalsContact CE2-OD1 3.28Å; Y523-D526 WeakPolarHBondContact CE2-OD1 3.23Å; D526-Y590 CarbonylContact O-C 3.47Å; D526-Y590 VanDerWaalsContact O-CA 3.28Å; D526-Y590 WeakPolarHBondContact O-CA 3.28Å; D526-S591 PolarHBondContact N-O 2.89Å; D526-S591 PolarHBondContact O-N 2.9Å; D526-V593 HydrophobicContact CB-CG2 4.36Å
527	H	93.1	Very high	82.9	Confident	12 Å²	12	47.3 Å²	47.3	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.6	-177.7	171.5	-145.6	0	0	0	111.8	I439 R440 M441 M529 S588 F589 Y590	I439-H527 HydrophobicContact CG2-CB 3.5Å; I439-H527 VanDerWaalsContact CG2-CB 3.5Å; R440-H527 PolarHBondContact O-N 3.3Å; M441-H527 HydrophobicContact CG-CB 3.86Å; M441-H527 WeakPolarHBondContact CG-ND1 3.39Å; H527-M529 WeakPolarHBondContact CE1-CG 3.46Å; H527-S588 WeakPolarHBondContact NE2-CB 3.45Å; H527-S588 PolarHBondContact NE2-OG 2.85Å; H527-F589 WeakPolarHBondContact CA-O 3.47Å; H527-Y590 HydrophobicContact CB-CD1 3.71Å; H527-Y590 HydrophobicContact CB-CE1 3.6Å; H527-Y590 AromaticContact CD2-CD1 3.92Å; H527-Y590 AromaticContact CD2-CE1 3.39Å; H527-Y590 WeakPolarHBondContact CD2-CE1 3.48Å; H527-Y590 AromaticContact CD2-CE2 3.9Å; H527-Y590 AromaticContact CD2-CZ 3.38Å; H527-Y590 AromaticContact CG-CD1 3.95Å; H527-Y590 AromaticContact CG-CE1 3.4Å; H527-Y590 AromaticContact CG-CZ 3.83Å; H527-Y590 AromaticContact NE2-CZ 3.6Å; H527-Y590 PolarHBondContact NE2-OH 3.24Å
528	T	90.5	Very high	83.9	Confident	53 Å²	53	43 Å²	43	33%	0.325	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.2	168.7	-54.2	0	0	0	0	109.6	K531 A580 F589	T528-K531 HydrophobicContact CG2-CB 4.12Å; T528-K531 HydrophobicContact CG2-CD 3.79Å; T528-K531 HydrophobicContact CG2-CG 4.08Å; T528-A580 HydrophobicContact CG2-CB 4.03Å; T528-F589 PolarHBondContact N-O 3.07Å; T528-F589 PolarHBondContact O-N 2.82Å
529	M	88.1	Confident	84.9	Confident	72 Å²	72	46.9 Å²	46.9	36%	0.355	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	154.1	177	-65.5	168.9	-150.1	0	0	112.2	M441 L500 H527 K531	M441-M529 HydrophobicContact CG-CE 4.05Å; M441-M529 HydrophobicContact SD-CE 3.33Å; M441-M529 WeakPolarHBondContact SD-CE 3.44Å; L500-M529 HydrophobicContact CD1-CE 3.46Å; L500-M529 VanDerWaalsContact CD1-CE 3.46Å; H527-M529 WeakPolarHBondContact CE1-CG 3.46Å; M529-K531 PolarHBondContact O-N 2.79Å; M529-K531 VanDerWaalsContact O-N 3.12Å
530	N	89.8	Confident	86.7	Confident	93 Å²	93	48.7 Å²	48.7	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	30	170	-56.5	-0.4	0	0	0	113.8	S584 M587	N530-S584 CarbonylContact C-O 3.55Å; N530-S584 WeakPolarHBondContact CA-O 3.21Å; N530-S584 VanDerWaalsContact CB-O 3.31Å; N530-S584 WeakPolarHBondContact CB-O 3.5Å; N530-S584 PolarHBondContact O-N 2.04Å; N530-M587 CarbonylContact C-O 3.5Å; N530-M587 VanDerWaalsContact CA-O 3.25Å; N530-M587 WeakPolarHBondContact CA-O 3.43Å; N530-M587 PolarHBondContact N-O 3.06Å
531	K	91.4	Very high	88.5	Confident	58 Å²	58	48 Å²	48	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.4	178.3	-60.1	-166.2	-165.3	-131.7	0	111.4	T528 M529 A580 K582 E583 M587 S588 F589	T528-K531 HydrophobicContact CG2-CB 4.12Å; T528-K531 HydrophobicContact CG2-CD 3.79Å; T528-K531 HydrophobicContact CG2-CG 4.08Å; M529-K531 PolarHBondContact O-N 2.79Å; M529-K531 VanDerWaalsContact O-N 3.12Å; K531-A580 HydrophobicContact CB-CB 3.93Å; K531-A580 HydrophobicContact CD-CB 4.18Å; K531-K582 CarbonylContact C-O 3.58Å; K531-K582 WeakPolarHBondContact CA-O 3.3Å; K531-E583 WeakPolarHBondContact CE-OE2 3.25Å; K531-E583 VanDerWaalsContact NZ-CD 3.29Å; K531-E583 IonicContact NZ-OE1 2.7Å; K531-E583 PolarHBondContact NZ-OE1 2.85Å; K531-E583 IonicContact NZ-OE2 2.79Å; K531-E583 PolarHBondContact NZ-OE2 2.04Å; K531-E583 VanDerWaalsContact NZ-OE2 3.11Å; K531-M587 PolarHBondContact N-O 2.99Å; K531-M587 CarbonylContact O-C 3.6Å; K531-S588 CarbonylContact O-C 3.58Å; K531-S588 WeakPolarHBondContact O-CA 3.26Å; K531-F589 PolarHBondContact O-N 3.35Å
532	A	91.7	Very high	89.8	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.033	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148	173.2	0	0	0	0	0	110.2	N564 T581 K582 M587	A532-N564 WeakPolarHBondContact CA-OD1 3.13Å; A532-N564 WeakPolarHBondContact CB-OD1 3.32Å; A532-T581 PolarHBondContact O-N 2.82Å; A532-K582 PolarHBondContact N-O 3.11Å; A532-K582 WeakPolarHBondContact O-CB 3.47Å; A532-K582 PolarHBondContact O-N 2.83Å; A532-M587 HydrophobicContact CB-CB 4.36Å; A532-M587 HydrophobicContact CB-SD 4.45Å
533	S	90.7	Very high	90.9	Very high	7 Å²	7	59.1 Å²	59.1	5%	0.049	30%	0.299	C	S	.	.			trans	-76.5	153.6	161.3	169.3	0	0	0	0	110.5	A535 N564 G579	S533-A535 VanDerWaalsContact OG-CB 3.29Å; S533-A535 WeakPolarHBondContact OG-CB 3.47Å; S533-A535 PolarHBondContact OG-N 3.11Å; S533-A535 VanDerWaalsContact OG-N 3.07Å; S533-N564 PolarHBondContact N-OD1 3.14Å; S533-N564 PolarHBondContact O-ND2 3.43Å; S533-G579 VanDerWaalsContact CA-O 3.27Å; S533-G579 WeakPolarHBondContact CA-O 3.14Å; S533-G579 VanDerWaalsContact CB-O 3.3Å; S533-G579 WeakPolarHBondContact CB-O 3.07Å
534	S	88.4	Confident	91.4	Very high	86 Å²	86	58.9 Å²	58.9	60%	0.601	30%	0.3	S	S	*	.			trans	-109.9	19.3	172.3	-54.3	0	0	0	0	112.5
535	A	86	Confident	91.8	Very high	26 Å²	26	59.5 Å²	59.5	22%	0.215	30%	0.304	C	S	.	.	S	Bend	trans	-67.3	170.5	173.6	0	0	0	0	0	112.6	S533 V537	S533-A535 VanDerWaalsContact OG-CB 3.29Å; S533-A535 WeakPolarHBondContact OG-CB 3.47Å; S533-A535 PolarHBondContact OG-N 3.11Å; S533-A535 VanDerWaalsContact OG-N 3.07Å; A535-V537 PolarHBondContact O-N 3.28Å
536	N	90.3	Very high	92	Very high	107 Å²	107	59.5 Å²	59.5	57%	0.572	30%	0.304	S	S	*	.			trans	-60.6	133.6	178.2	-64.1	-29.4	0	0	0	110.9	L575 E576	N536-L575 VanDerWaalsContact O-CA 3.31Å; N536-L575 WeakPolarHBondContact O-CA 3.32Å; N536-E576 HydrophobicContact CB-CB 4.27Å; N536-E576 HydrophobicContact CB-CG 4.06Å; N536-E576 VanDerWaalsContact CB-OE2 3.3Å; N536-E576 WeakPolarHBondContact CB-OE2 3.47Å; N536-E576 PolarHBondContact ND2-OE2 3.36Å; N536-E576 PolarHBondContact O-N 2.87Å
537	V	93.5	Very high	92.2	Very high	69 Å²	69	58 Å²	58	42%	0.418	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	110.8	174.8	-179.3	0	0	0	0	108.3	A535 K540 H573 L574 L575	A535-V537 PolarHBondContact O-N 3.28Å; V537-K540 HydrophobicContact CG1-CG 3.86Å; V537-H573 HydrophobicContact CG1-CB 4.16Å; V537-L574 CarbonylContact C-O 3.5Å; V537-L574 WeakPolarHBondContact CA-O 3Å; V537-L575 HydrophobicContact CB-CD2 4.27Å; V537-L575 HydrophobicContact CG2-CD2 3.69Å
538	I	93.3	Very high	92.3	Very high	46 Å²	46	57.6 Å²	57.6	24%	0.236	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-50.4	174.8	-57.6	165.8	0	0	0	109	Q559 C560 L574 L575 E576	I538-Q559 VanDerWaalsContact CD1-C 3.48Å; I538-Q559 HydrophobicContact CD1-CB 3.84Å; I538-Q559 WeakPolarHBondContact CD1-O 2.84Å; I538-C560 HydrophobicContact CD1-CB 4.14Å; I538-L574 PolarHBondContact N-O 2.85Å; I538-L575 VanDerWaalsContact CD1-C 3.4Å; I538-L575 WeakPolarHBondContact CD1-O 3.38Å; I538-E576 HydrophobicContact CD1-CG 4.07Å; I538-E576 HydrophobicContact CG1-CG 3.65Å
539	R	95.1	Very high	92.5	Very high	112 Å²	112	56.8 Å²	56.8	42%	0.423	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.6	-173.1	-177.2	168.2	162.4	-131	-11.7	110.9	L541 E553 L574	R539-L541 HydrophobicContact CG-CD2 4.3Å; R539-E553 IonicContact CZ-OE2 3.2Å; R539-E553 IonicContact NH1-OE2 2.62Å; R539-E553 PolarHBondContact NH1-OE2 3.48Å; R539-E553 IonicContact NH2-OE2 2.62Å; R539-E553 PolarHBondContact NH2-OE2 2.99Å; R539-L574 HydrophobicContact CB-CB 4.44Å; R539-L574 HydrophobicContact CB-CD1 4.3Å; R539-L574 PolarHBondContact N-O 2.79Å; R539-L574 PolarHBondContact O-N 3.13Å
540	K	96	Very high	92.9	Very high	132 Å²	132	53.3 Å²	53.3	57%	0.574	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.7	165.8	-56.5	-158.6	167.9	-152	0	108.8	V537 H573	V537-K540 HydrophobicContact CG1-CG 3.86Å; K540-H573 VanDerWaalsContact CD-CD2 3.48Å; K540-H573 WeakPolarHBondContact CD-CD2 3.34Å; K540-H573 VanDerWaalsContact CE-CD2 3.47Å; K540-H573 WeakPolarHBondContact CE-CD2 3.45Å; K540-H573 WeakPolarHBondContact CE-NE2 3.34Å; K540-H573 PolarHBondContact NZ-NE2 2.83Å
541	L	94.8	Very high	93.2	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.136	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-90.3	167.2	173.3	-52.9	-175.8	0	0	0	110.8	R539 E543 T545 E553 C572	R539-L541 HydrophobicContact CG-CD2 4.3Å; L541-E543 PolarHBondContact O-N 2.82Å; L541-T545 HydrophobicContact CB-CG2 4.46Å; L541-T545 HydrophobicContact CD1-CG2 4.01Å; L541-E553 HydrophobicContact CD1-CB 4.07Å; L541-E553 HydrophobicContact CD1-CG 3.85Å; L541-E553 HydrophobicContact CD2-CG 4.39Å; L541-C572 HydrophobicContact CB-CB 4.09Å; L541-C572 HydrophobicContact CD1-CB 3.97Å; L541-C572 VanDerWaalsContact CD1-SG 3.52Å; L541-C572 HydrophobicContact CG-CB 4.12Å; L541-C572 PolarHBondContact N-O 2.86Å
542	K	92.6	Very high	93.2	Very high	168 Å²	168	46.5 Å²	46.5	73%	0.73	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-75	116.6	177.7	179.9	-166.7	170.1	-160.2	0	109.4	D262 P544 T545	D262-K542 PolarHBondContact O-NZ 2.82Å; K542-P544 CarbonylContact O-C 3.58Å; K542-T545 PolarHBondContact O-OG1 2.81Å
543	E	91.2	Very high	93.4	Very high	116 Å²	116	49.2 Å²	49.2	54%	0.542	25%	0.25	S	S	.	.	S	Bend	trans	-77.2	147.8	177	63.8	-158.1	179.2	0	0	112.7	L541 A571	L541-E543 PolarHBondContact O-N 2.82Å; E543-A571 WeakPolarHBondContact OE2-CB 3.4Å
544	P	94.1	Very high	93.5	Very high	16 Å²	16	48.9 Å²	48.9	10%	0.104	25%	0.248	C	C	.	.	S	Bend	cis	-74.2	134.9	-10.5	32.3	-34.5	0	0	0	111.5	L261 L272 I277 K542 I569	L261-P544 HydrophobicContact CD1-CG 3.99Å; L261-P544 HydrophobicContact CD2-CG 4.21Å; L272-P544 HydrophobicContact CD1-CB 4.2Å; L272-P544 HydrophobicContact CD1-CG 4Å; L272-P544 HydrophobicContact CD2-CB 4Å; I277-P544 HydrophobicContact CG2-CB 4.26Å; K542-P544 CarbonylContact O-C 3.58Å; P544-I569 WeakPolarHBondContact CA-O 3.22Å; P544-I569 WeakPolarHBondContact CB-O 3.3Å
545	T	95	Very high	93.5	Very high	14 Å²	14	46.4 Å²	46.4	9%	0.086	23%	0.228	C	C	.	.			trans	-106.5	141.5	170.7	-43.7	0	0	0	0	109.4	L541 K542 D549 C550 Y565 G570	L541-T545 HydrophobicContact CB-CG2 4.46Å; L541-T545 HydrophobicContact CD1-CG2 4.01Å; K542-T545 PolarHBondContact O-OG1 2.81Å; T545-D549 HydrophobicContact CG2-CB 4.1Å; T545-C550 HydrophobicContact CG2-CB 4.21Å; T545-Y565 VanDerWaalsContact O-CE2 3.3Å; T545-Y565 WeakPolarHBondContact O-CE2 3.16Å; T545-Y565 PolarHBondContact O-OH 3.19Å; T545-G570 WeakPolarHBondContact CB-O 3.38Å; T545-G570 PolarHBondContact N-O 2.78Å
546	A	95.9	Very high	93.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.			trans	-77.2	150.7	171.9	0	0	0	0	0	111.2	A268 Y271 D549 C550	A268-A546 HydrophobicContact CB-CB 3.91Å; Y271-A546 HydrophobicContact CD1-CB 3.59Å; Y271-A546 HydrophobicContact CE1-CB 4.46Å; Y271-A546 HydrophobicContact CG-CB 3.86Å; A546-D549 WeakPolarHBondContact CB-OD2 3.44Å; A546-D549 PolarHBondContact O-N 2.85Å; A546-C550 WeakPolarHBondContact O-CB 3.24Å; A546-C550 PolarHBondContact O-N 2.95Å
547	L	95.9	Very high	93.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-40.5	-179.4	-177.3	66.1	0	0	0	113.4	Y271 I439 D549 C550 L551 Y565 Y590	Y271-L547 HydrophobicContact CE1-CB 3.83Å; Y271-L547 HydrophobicContact CE2-CB 3.93Å; Y271-L547 WeakPolarHBondContact OH-CB 3.4Å; I439-L547 HydrophobicContact CD1-CD2 4.38Å; L547-D549 VanDerWaalsContact C-N 3.34Å; L547-D549 PolarHBondContact O-N 3.01Å; L547-C550 PolarHBondContact O-N 2.6Å; L547-L551 HydrophobicContact CD1-CD1 4Å; L547-L551 HydrophobicContact CD1-CD2 4.18Å; L547-L551 HydrophobicContact CD1-CG 3.82Å; L547-L551 HydrophobicContact CD2-CD1 4.4Å; L547-L551 HydrophobicContact CG-CD1 3.87Å; L547-L551 HydrophobicContact CG-CG 4.09Å; L547-L551 WeakPolarHBondContact O-CB 3.13Å; L547-L551 VanDerWaalsContact O-CG 3.31Å; L547-L551 WeakPolarHBondContact O-CG 3.04Å; L547-L551 PolarHBondContact O-N 3.24Å; L547-Y565 HydrophobicContact CB-CD1 4.43Å; L547-Y565 HydrophobicContact CB-CE1 3.96Å; L547-Y565 HydrophobicContact CB-CE2 4.46Å; L547-Y565 HydrophobicContact CD1-CD1 3.81Å; L547-Y565 HydrophobicContact CD1-CD2 4.19Å; L547-Y565 HydrophobicContact CD1-CE1 4.21Å; L547-Y565 HydrophobicContact CD1-CG 3.78Å; L547-Y565 PolarHBondContact N-OH 2.79Å; L547-Y590 HydrophobicContact CD1-CD2 4.24Å; L547-Y590 HydrophobicContact CD1-CE1 4.39Å; L547-Y590 HydrophobicContact CD1-CE2 3.76Å; L547-Y590 HydrophobicContact CD2-CE1 4.12Å; L547-Y590 WeakPolarHBondContact CD2-OH 3.43Å
548	P	94.4	Very high	92.8	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-55.9	-46.6	175.8	-25.6	34.9	0	0	0	112.7	L267 Y271 I512 L551 A552	L267-P548 HydrophobicContact CD2-CB 4.43Å; Y271-P548 HydrophobicContact CD2-CG 3.94Å; Y271-P548 HydrophobicContact CE2-CG 4.36Å; Y271-P548 HydrophobicContact CG-CG 4.48Å; I512-P548 HydrophobicContact CD1-CG 4.26Å; P548-L551 PolarHBondContact O-N 3.2Å; P548-A552 WeakPolarHBondContact O-CB 3.34Å; P548-A552 PolarHBondContact O-N 3.42Å
549	D	94.9	Very high	92.5	Very high	35 Å²	35	52.2 Å²	52.2	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-67.1	-43.6	-179.9	-46.6	-36.4	0	0	0	111.1	A268 T545 A546 L547 L551 A552 E553	A268-D549 WeakPolarHBondContact CB-OD2 3.19Å; T545-D549 HydrophobicContact CG2-CB 4.1Å; A546-D549 WeakPolarHBondContact CB-OD2 3.44Å; A546-D549 PolarHBondContact O-N 2.85Å; L547-D549 VanDerWaalsContact C-N 3.34Å; L547-D549 PolarHBondContact O-N 3.01Å; D549-L551 VanDerWaalsContact C-N 3.31Å; D549-L551 PolarHBondContact O-N 2.91Å; D549-A552 PolarHBondContact O-N 2.95Å; D549-E553 WeakPolarHBondContact O-CG 3.46Å; D549-E553 PolarHBondContact O-N 3.19Å
550	C	96.6	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-39.4	176.6	175.5	0	0	0	0	112.6	T545 A546 L547 C554 V563 Y565 C572	T545-C550 HydrophobicContact CG2-CB 4.21Å; A546-C550 WeakPolarHBondContact O-CB 3.24Å; A546-C550 PolarHBondContact O-N 2.95Å; L547-C550 PolarHBondContact O-N 2.6Å; C550-C554 PolarHBondContact O-N 3.44Å; C550-V563 WeakPolarHBondContact SG-CG1 3.38Å; C550-Y565 HydrophobicContact CB-CD2 4.12Å; C550-Y565 HydrophobicContact CB-CE2 4.22Å; C550-C572 VanDerWaalsContact CA-SG 3.58Å; C550-C572 HydrophobicContact CB-CB 3.74Å; C550-C572 WeakPolarHBondContact CB-SG 3.5Å; C550-C572 WeakPolarHBondContact SG-CB 3.38Å; C550-C572 CovalentContact SG-SG 2.03Å; C550-C572 PolarHBondContact SG-SG 3.12Å
551	L	94.8	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-75.5	-37.2	175.1	-66.8	-179.2	0	0	0	112.1	I439 I514 F525 L547 P548 D549 C554 L555 V563 Y590	I439-L551 HydrophobicContact CD1-CD1 3.79Å; I514-L551 HydrophobicContact CD1-CB 4.05Å; I514-L551 HydrophobicContact CD1-CD1 4.15Å; F525-L551 HydrophobicContact CD1-CD2 3.92Å; F525-L551 HydrophobicContact CD2-CB 4.36Å; F525-L551 HydrophobicContact CD2-CD1 3.98Å; F525-L551 HydrophobicContact CD2-CD2 4Å; F525-L551 HydrophobicContact CD2-CG 4.33Å; F525-L551 HydrophobicContact CE1-CD2 3.83Å; F525-L551 HydrophobicContact CE2-CB 3.74Å; F525-L551 HydrophobicContact CE2-CD1 4.22Å; F525-L551 HydrophobicContact CE2-CD2 3.91Å; F525-L551 HydrophobicContact CE2-CG 4.15Å; F525-L551 HydrophobicContact CG-CD1 4.5Å; F525-L551 HydrophobicContact CG-CD2 4.03Å; F525-L551 HydrophobicContact CZ-CB 4.03Å; F525-L551 HydrophobicContact CZ-CD2 3.82Å; F525-L551 HydrophobicContact CZ-CG 4.43Å; L547-L551 HydrophobicContact CD1-CD1 4Å; L547-L551 HydrophobicContact CD1-CD2 4.18Å; L547-L551 HydrophobicContact CD1-CG 3.82Å; L547-L551 HydrophobicContact CD2-CD1 4.4Å; L547-L551 HydrophobicContact CG-CD1 3.87Å; L547-L551 HydrophobicContact CG-CG 4.09Å; L547-L551 WeakPolarHBondContact O-CB 3.13Å; L547-L551 VanDerWaalsContact O-CG 3.31Å; L547-L551 WeakPolarHBondContact O-CG 3.04Å; L547-L551 PolarHBondContact O-N 3.24Å; P548-L551 PolarHBondContact O-N 3.2Å; D549-L551 VanDerWaalsContact C-N 3.31Å; D549-L551 PolarHBondContact O-N 2.91Å; L551-C554 PolarHBondContact O-N 3.34Å; L551-C554 VanDerWaalsContact O-N 3.17Å; L551-L555 WeakPolarHBondContact O-CG 3.41Å; L551-L555 PolarHBondContact O-N 2.87Å; L551-V563 HydrophobicContact CD2-CG2 4.46Å; L551-Y590 HydrophobicContact CD2-CD1 4.42Å; L551-Y590 HydrophobicContact CD2-CG 4.14Å
552	A	93	Very high	91.8	Very high	7 Å²	7	42.2 Å²	42.2	6%	0.058	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-45.8	174.6	0	0	0	0	0	111.7	I514 P515 P548 D549 C554 L555 N556	I514-A552 HydrophobicContact CG2-CB 3.71Å; P515-A552 HydrophobicContact CB-CB 4.16Å; P515-A552 HydrophobicContact CG-CB 4.45Å; P548-A552 WeakPolarHBondContact O-CB 3.34Å; P548-A552 PolarHBondContact O-N 3.42Å; D549-A552 PolarHBondContact O-N 2.95Å; A552-C554 VanDerWaalsContact C-N 3.27Å; A552-C554 PolarHBondContact O-N 3.4Å; A552-L555 PolarHBondContact O-N 3.26Å; A552-L555 VanDerWaalsContact O-N 3.09Å; A552-N556 PolarHBondContact O-N 2.93Å; A552-N556 PolarHBondContact O-ND2 2.87Å
553	E	94.2	Very high	91.9	Very high	62 Å²	62	34.2 Å²	34.2	29%	0.29	19%	0.187	S	C	.	.	H	α-helix	trans	-59.2	-37.1	174.8	-69.6	-81.2	94.9	0	0	111.4	R539 L541 D549 E557 L574	R539-E553 IonicContact CZ-OE2 3.2Å; R539-E553 IonicContact NH1-OE2 2.62Å; R539-E553 PolarHBondContact NH1-OE2 3.48Å; R539-E553 IonicContact NH2-OE2 2.62Å; R539-E553 PolarHBondContact NH2-OE2 2.99Å; L541-E553 HydrophobicContact CD1-CB 4.07Å; L541-E553 HydrophobicContact CD1-CG 3.85Å; L541-E553 HydrophobicContact CD2-CG 4.39Å; D549-E553 WeakPolarHBondContact O-CG 3.46Å; D549-E553 PolarHBondContact O-N 3.19Å; E553-E557 WeakPolarHBondContact O-CB 3.17Å; E553-E557 PolarHBondContact O-N 2.9Å; E553-L574 HydrophobicContact CB-CD1 4.1Å; E553-L574 HydrophobicContact CB-CD2 4.46Å
554	C	93.6	Very high	92.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-73.8	-28.2	174.5	-166.8	0	0	0	0	114.1	F525 C550 L551 A552 C560 V563 L574 K592	F525-C554 HydrophobicContact CE1-CB 4.47Å; F525-C554 HydrophobicContact CZ-CB 4.36Å; C550-C554 PolarHBondContact O-N 3.44Å; L551-C554 PolarHBondContact O-N 3.34Å; L551-C554 VanDerWaalsContact O-N 3.17Å; A552-C554 VanDerWaalsContact C-N 3.27Å; A552-C554 PolarHBondContact O-N 3.4Å; C554-C560 VanDerWaalsContact CA-SG 3.52Å; C554-C560 HydrophobicContact CB-CB 3.99Å; C554-C560 WeakPolarHBondContact CB-SG 3.38Å; C554-C560 WeakPolarHBondContact SG-CB 3.04Å; C554-C560 CovalentContact SG-SG 2.05Å; C554-C560 PolarHBondContact SG-SG 3.47Å; C554-V563 HydrophobicContact CB-CG2 3.56Å; C554-V563 VanDerWaalsContact SG-CG2 3.55Å; C554-L574 HydrophobicContact CB-CD2 3.93Å; C554-K592 WeakPolarHBondContact O-CE 2.9Å; C554-K592 PolarHBondContact O-NZ 3.43Å
555	L	89.1	Confident	92.3	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-44.1	173.2	-69.5	177.2	0	0	0	110.7	I514 I518 F525 L551 A552 K592 C594	I514-L555 HydrophobicContact CG2-CD1 4.3Å; I518-L555 HydrophobicContact CD1-CD1 3.41Å; I518-L555 VanDerWaalsContact CD1-CD1 3.41Å; I518-L555 HydrophobicContact CG1-CD1 3.85Å; F525-L555 HydrophobicContact CE2-CD1 4.15Å; F525-L555 HydrophobicContact CE2-CD2 3.76Å; F525-L555 HydrophobicContact CE2-CG 3.85Å; F525-L555 HydrophobicContact CZ-CD2 3.66Å; F525-L555 HydrophobicContact CZ-CG 3.81Å; L551-L555 WeakPolarHBondContact O-CG 3.41Å; L551-L555 PolarHBondContact O-N 2.87Å; A552-L555 PolarHBondContact O-N 3.26Å; A552-L555 VanDerWaalsContact O-N 3.09Å; L555-K592 HydrophobicContact CD2-CG 4.3Å; L555-K592 PolarHBondContact O-NZ 3.1Å; L555-C594 HydrophobicContact CD2-CB 4.27Å
556	N	86.8	Confident	92.4	Very high	120 Å²	120	28.2 Å²	28.2	64%	0.642	16%	0.158	S	C	*	.	H	α-helix	trans	-75.2	-31.1	-178.9	-64.4	-29	0	0	0	113.6	A552 G558	A552-N556 PolarHBondContact O-N 2.93Å; A552-N556 PolarHBondContact O-ND2 2.87Å; N556-G558 PolarHBondContact O-N 2.95Å
557	E	87.2	Confident	92.2	Very high	59 Å²	59	30.6 Å²	30.6	28%	0.276	17%	0.17	S	C	.	.			trans	-73.9	116.4	175.3	180	54.9	-91.9	0	0	110.7	E553 Q559 C560 L574 K592	E553-E557 WeakPolarHBondContact O-CB 3.17Å; E553-E557 PolarHBondContact O-N 2.9Å; E557-Q559 VanDerWaalsContact C-N 3.27Å; E557-Q559 PolarHBondContact O-N 3.36Å; E557-Q559 PolarHBondContact OE1-N 3.06Å; E557-C560 HydrophobicContact CB-CB 3.75Å; E557-C560 HydrophobicContact CG-CB 3.74Å; E557-C560 PolarHBondContact O-N 2.73Å; E557-C560 VanDerWaalsContact O-N 3.14Å; E557-L574 HydrophobicContact CB-CD1 4.46Å; E557-K592 PolarHBondContact O-NZ 2.8Å
558	G	79.4	Confident	92	Very high	66 Å²	66	34.5 Å²	34.5	68%	0.68	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.8	-175.1	0	0	0	0	0	113.7	N556	N556-G558 PolarHBondContact O-N 2.95Å
559	Q	86.9	Confident	92	Very high	125 Å²	125	36.4 Å²	36.4	58%	0.584	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.4	174.7	-65.8	-172.9	-36.1	0	0	113.5	I538 E557 Q561	I538-Q559 VanDerWaalsContact CD1-C 3.48Å; I538-Q559 HydrophobicContact CD1-CB 3.84Å; I538-Q559 WeakPolarHBondContact CD1-O 2.84Å; E557-Q559 VanDerWaalsContact C-N 3.27Å; E557-Q559 PolarHBondContact O-N 3.36Å; E557-Q559 PolarHBondContact OE1-N 3.06Å; Q559-Q561 PolarHBondContact O-N 3.43Å
560	C	90.1	Very high	92	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.			trans	-78.2	119.3	-174.3	-169.7	0	0	0	0	111	I538 C554 E557 S562 K592	I538-C560 HydrophobicContact CD1-CB 4.14Å; C554-C560 VanDerWaalsContact CA-SG 3.52Å; C554-C560 HydrophobicContact CB-CB 3.99Å; C554-C560 WeakPolarHBondContact CB-SG 3.38Å; C554-C560 WeakPolarHBondContact SG-CB 3.04Å; C554-C560 CovalentContact SG-SG 2.05Å; C554-C560 PolarHBondContact SG-SG 3.47Å; E557-C560 HydrophobicContact CB-CB 3.75Å; E557-C560 HydrophobicContact CG-CB 3.74Å; E557-C560 PolarHBondContact O-N 2.73Å; E557-C560 VanDerWaalsContact O-N 3.14Å; C560-S562 PolarHBondContact SG-O 2.89Å; C560-S562 VanDerWaalsContact SG-O 3.35Å; C560-K592 WeakPolarHBondContact O-CD 2.99Å; C560-K592 PolarHBondContact O-NZ 3.4Å; C560-K592 VanDerWaalsContact O-NZ 3.12Å
561	Q	89.5	Confident	92	Very high	58 Å²	58	35 Å²	35	27%	0.271	19%	0.191	S	C	.	.			trans	-114.6	-19.3	175.1	-67.1	-66.3	5.6	0	0	112.5	Q559 L575 E577 K592	Q559-Q561 PolarHBondContact O-N 3.43Å; Q561-L575 PolarHBondContact N-O 2.91Å; Q561-L575 VanDerWaalsContact N-O 3.1Å; Q561-E577 HydrophobicContact CB-CB 4.34Å; Q561-E577 HydrophobicContact CG-CB 4.49Å; Q561-K592 VanDerWaalsContact O-CB 3.23Å; Q561-K592 WeakPolarHBondContact O-CB 3.27Å; Q561-K592 PolarHBondContact O-N 2.75Å
562	S	92.5	Very high	92.1	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	168.2	175.1	66.9	0	0	0	0	113.5	C560 L575 E576 F589 Y590	C560-S562 PolarHBondContact SG-O 2.89Å; C560-S562 VanDerWaalsContact SG-O 3.35Å; S562-L575 PolarHBondContact N-O 2.85Å; S562-L575 WeakPolarHBondContact O-CA 3.42Å; S562-L575 VanDerWaalsContact O-CB 3.31Å; S562-L575 WeakPolarHBondContact O-CB 3.43Å; S562-L575 PolarHBondContact O-N 2.96Å; S562-L575 WeakPolarHBondContact OG-CB 3.26Å; S562-E576 PolarHBondContact OG-O 2.88Å; S562-F589 VanDerWaalsContact CB-CZ 3.47Å; S562-F589 WeakPolarHBondContact OG-CE2 3.33Å; S562-Y590 CarbonylContact C-O 3.58Å; S562-Y590 VanDerWaalsContact CA-O 3.22Å; S562-Y590 WeakPolarHBondContact CA-O 2.87Å; S562-Y590 WeakPolarHBondContact CB-O 3.33Å
563	V	95.5	Very high	92.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.2	-175.5	175.9	0	0	0	0	110	C550 L551 C554 H573 L574 F589 Y590	C550-V563 WeakPolarHBondContact SG-CG1 3.38Å; L551-V563 HydrophobicContact CD2-CG2 4.46Å; C554-V563 HydrophobicContact CB-CG2 3.56Å; C554-V563 VanDerWaalsContact SG-CG2 3.55Å; V563-H573 WeakPolarHBondContact CA-O 3.34Å; V563-L574 HydrophobicContact CG2-CD2 4.01Å; V563-F589 WeakPolarHBondContact O-CA 3.5Å; V563-Y590 PolarHBondContact N-O 2.85Å; V563-Y590 PolarHBondContact O-N 3.11Å
564	N	96.4	Very high	92.4	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.064	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	157.4	-71.3	-29.6	0	0	0	108.3	A532 S533 H573 L575	A532-N564 WeakPolarHBondContact CA-OD1 3.13Å; A532-N564 WeakPolarHBondContact CB-OD1 3.32Å; S533-N564 PolarHBondContact N-OD1 3.14Å; S533-N564 PolarHBondContact O-ND2 3.43Å; N564-H573 HydrophobicContact CB-CB 4.23Å; N564-H573 PolarHBondContact N-O 3.23Å; N564-H573 PolarHBondContact O-N 2.71Å; N564-L575 HydrophobicContact CB-CD1 4.42Å
565	Y	97	Very high	92.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.9	178	-176.2	-103.4	0	0	0	111.1	I277 T545 L547 C550 N567 A571 C572 M587 S588	I277-Y565 HydrophobicContact CD1-CE1 4.28Å; I277-Y565 VanDerWaalsContact CD1-OH 3.32Å; I277-Y565 WeakPolarHBondContact CD1-OH 3.21Å; T545-Y565 VanDerWaalsContact O-CE2 3.3Å; T545-Y565 WeakPolarHBondContact O-CE2 3.16Å; T545-Y565 PolarHBondContact O-OH 3.19Å; L547-Y565 HydrophobicContact CB-CD1 4.43Å; L547-Y565 HydrophobicContact CB-CE1 3.96Å; L547-Y565 HydrophobicContact CB-CE2 4.46Å; L547-Y565 HydrophobicContact CD1-CD1 3.81Å; L547-Y565 HydrophobicContact CD1-CD2 4.19Å; L547-Y565 HydrophobicContact CD1-CE1 4.21Å; L547-Y565 HydrophobicContact CD1-CG 3.78Å; L547-Y565 PolarHBondContact N-OH 2.79Å; C550-Y565 HydrophobicContact CB-CD2 4.12Å; C550-Y565 HydrophobicContact CB-CE2 4.22Å; Y565-N567 PolarHBondContact O-ND2 3.36Å; Y565-N567 VanDerWaalsContact O-ND2 3.17Å; Y565-A571 WeakPolarHBondContact CA-O 3.28Å; Y565-C572 HydrophobicContact CD2-CB 4.16Å; Y565-M587 WeakPolarHBondContact O-CA 3.28Å; Y565-S588 PolarHBondContact N-O 2.04Å; Y565-S588 PolarHBondContact O-N 2.82Å
566	D	96.1	Very high	92.3	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.6	174.8	-163.5	-71.3	0	0	0	111.6	E568 I569 G570 A571 T586 M587	D566-E568 PolarHBondContact OD1-N 3.11Å; D566-I569 HydrophobicContact CB-CG1 3.87Å; D566-I569 WeakPolarHBondContact OD1-CG1 3.5Å; D566-I569 PolarHBondContact OD1-N 3.27Å; D566-I569 VanDerWaalsContact OD1-N 3.09Å; D566-G570 WeakPolarHBondContact O-CA 3.28Å; D566-G570 PolarHBondContact O-N 2.76Å; D566-A571 HydrophobicContact CB-CB 3.93Å; D566-A571 PolarHBondContact N-O 2.81Å; D566-T586 WeakPolarHBondContact OD2-CB 3.34Å; D566-T586 PolarHBondContact OD2-OG1 2.81Å; D566-M587 HydrophobicContact CB-CE 4.26Å; D566-M587 HydrophobicContact CB-CG 4.08Å; D566-M587 WeakPolarHBondContact OD2-CG 3.09Å
567	N	92.9	Very high	91.6	Very high	49 Å²	49	32.1 Å²	32.1	26%	0.262	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.1	-172.3	-57.3	-91.6	0	0	0	113	Y565 T586 S588	Y565-N567 PolarHBondContact O-ND2 3.36Å; Y565-N567 VanDerWaalsContact O-ND2 3.17Å; N567-T586 WeakPolarHBondContact CB-O 3.36Å; N567-T586 PolarHBondContact N-O 2.83Å; N567-T586 PolarHBondContact ND2-O 2.88Å; N567-S588 WeakPolarHBondContact ND2-CB 3.32Å; N567-S588 PolarHBondContact ND2-N 2.55Å; N567-S588 PolarHBondContact ND2-OG 3.31Å; N567-S588 VanDerWaalsContact ND2-OG 3.1Å
568	E	91.2	Very high	90.6	Very high	83 Å²	83	30.6 Å²	30.6	39%	0.388	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-40.6	173.5	-69.3	-165.1	-162.9	0	0	112.6	I277 G278 G281 D566 T586	I277-E568 WeakPolarHBondContact CA-O 3.13Å; I277-E568 WeakPolarHBondContact CG2-O 3.36Å; G278-E568 PolarHBondContact N-O 2.98Å; G281-E568 CarbonylContact C-O 3.49Å; G281-E568 VanDerWaalsContact C-O 3.31Å; G281-E568 VanDerWaalsContact O-O 3.13Å; D566-E568 PolarHBondContact OD1-N 3.11Å; E568-T586 HydrophobicContact CB-CG2 4.45Å; E568-T586 HydrophobicContact CG-CG2 3.97Å
569	I	94.1	Very high	90.4	Very high	45 Å²	45	28.7 Å²	28.7	23%	0.231	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-3.3	-179.2	59.3	167	0	0	0	115.1	G278 G281 P544 D566 A571	G278-I569 WeakPolarHBondContact O-CA 3.33Å; G281-I569 VanDerWaalsContact N-CG2 3.28Å; P544-I569 WeakPolarHBondContact CA-O 3.22Å; P544-I569 WeakPolarHBondContact CB-O 3.3Å; D566-I569 HydrophobicContact CB-CG1 3.87Å; D566-I569 WeakPolarHBondContact OD1-CG1 3.5Å; D566-I569 PolarHBondContact OD1-N 3.27Å; D566-I569 VanDerWaalsContact OD1-N 3.09Å; I569-A571 HydrophobicContact CD1-CB 3.82Å; I569-A571 HydrophobicContact CG1-CB 3.91Å; I569-A571 PolarHBondContact O-N 3.38Å
570	G	95.5	Very high	90.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.136	C	C	.	.			trans	66.9	21.5	179.5	0	0	0	0	0	113.9	T545 D566 C572	T545-G570 WeakPolarHBondContact CB-O 3.38Å; T545-G570 PolarHBondContact N-O 2.78Å; D566-G570 WeakPolarHBondContact O-CA 3.28Å; D566-G570 PolarHBondContact O-N 2.76Å; G570-C572 PolarHBondContact O-N 2.85Å
571	A	96.8	Very high	89.6	Confident	5 Å²	5	28.9 Å²	28.9	4%	0.041	17%	0.166	C	C	.	.			trans	-70.3	118.3	177.7	0	0	0	0	0	110.2	E543 Y565 D566 I569	E543-A571 WeakPolarHBondContact OE2-CB 3.4Å; Y565-A571 WeakPolarHBondContact CA-O 3.28Å; D566-A571 HydrophobicContact CB-CB 3.93Å; D566-A571 PolarHBondContact N-O 2.81Å; I569-A571 HydrophobicContact CD1-CB 3.82Å; I569-A571 HydrophobicContact CG1-CB 3.91Å; I569-A571 PolarHBondContact O-N 3.38Å
572	C	97.3	Very high	89.5	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	-177.9	-179.6	0	0	0	0	111.3	L541 C550 Y565 G570	L541-C572 HydrophobicContact CB-CB 4.09Å; L541-C572 HydrophobicContact CD1-CB 3.97Å; L541-C572 VanDerWaalsContact CD1-SG 3.52Å; L541-C572 HydrophobicContact CG-CB 4.12Å; L541-C572 PolarHBondContact N-O 2.86Å; C550-C572 VanDerWaalsContact CA-SG 3.58Å; C550-C572 HydrophobicContact CB-CB 3.74Å; C550-C572 WeakPolarHBondContact CB-SG 3.5Å; C550-C572 WeakPolarHBondContact SG-CB 3.38Å; C550-C572 CovalentContact SG-SG 2.03Å; C550-C572 PolarHBondContact SG-SG 3.12Å; Y565-C572 HydrophobicContact CD2-CB 4.16Å; G570-C572 PolarHBondContact O-N 2.85Å
573	H	96.8	Very high	89.4	Confident	22 Å²	22	38.1 Å²	38.1	10%	0.102	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.4	173.1	-51.4	135.9	0	0	0	109.7	V537 K540 V563 N564 L575	V537-H573 HydrophobicContact CG1-CB 4.16Å; K540-H573 VanDerWaalsContact CD-CD2 3.48Å; K540-H573 WeakPolarHBondContact CD-CD2 3.34Å; K540-H573 VanDerWaalsContact CE-CD2 3.47Å; K540-H573 WeakPolarHBondContact CE-CD2 3.45Å; K540-H573 WeakPolarHBondContact CE-NE2 3.34Å; K540-H573 PolarHBondContact NZ-NE2 2.83Å; V563-H573 WeakPolarHBondContact CA-O 3.34Å; N564-H573 HydrophobicContact CB-CB 4.23Å; N564-H573 PolarHBondContact N-O 3.23Å; N564-H573 PolarHBondContact O-N 2.71Å; H573-L575 HydrophobicContact CB-CD2 4.13Å
574	L	96	Very high	89.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.7	171	-53.1	-172.8	0	0	0	109.1	V537 I538 R539 E553 C554 E557 V563	V537-L574 CarbonylContact C-O 3.5Å; V537-L574 WeakPolarHBondContact CA-O 3Å; I538-L574 PolarHBondContact N-O 2.85Å; R539-L574 HydrophobicContact CB-CB 4.44Å; R539-L574 HydrophobicContact CB-CD1 4.3Å; R539-L574 PolarHBondContact N-O 2.79Å; R539-L574 PolarHBondContact O-N 3.13Å; E553-L574 HydrophobicContact CB-CD1 4.1Å; E553-L574 HydrophobicContact CB-CD2 4.46Å; C554-L574 HydrophobicContact CB-CD2 3.93Å; E557-L574 HydrophobicContact CB-CD1 4.46Å; V563-L574 HydrophobicContact CG2-CD2 4.01Å
575	L	94.3	Very high	88.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150	-170.8	-47.6	177.2	0	0	0	112.5	N536 V537 I538 Q561 S562 N564 H573 F589	N536-L575 VanDerWaalsContact O-CA 3.31Å; N536-L575 WeakPolarHBondContact O-CA 3.32Å; V537-L575 HydrophobicContact CB-CD2 4.27Å; V537-L575 HydrophobicContact CG2-CD2 3.69Å; I538-L575 VanDerWaalsContact CD1-C 3.4Å; I538-L575 WeakPolarHBondContact CD1-O 3.38Å; Q561-L575 PolarHBondContact N-O 2.91Å; Q561-L575 VanDerWaalsContact N-O 3.1Å; S562-L575 PolarHBondContact N-O 2.85Å; S562-L575 WeakPolarHBondContact O-CA 3.42Å; S562-L575 VanDerWaalsContact O-CB 3.31Å; S562-L575 WeakPolarHBondContact O-CB 3.43Å; S562-L575 PolarHBondContact O-N 2.96Å; S562-L575 WeakPolarHBondContact OG-CB 3.26Å; N564-L575 HydrophobicContact CB-CD1 4.42Å; H573-L575 HydrophobicContact CB-CD2 4.13Å; L575-F589 HydrophobicContact CD1-CE2 4.35Å
576	E	85.9	Confident	88.4	Confident	65 Å²	65	45 Å²	45	30%	0.304	26%	0.26	S	S	.	.	S	Bend	trans	-65.5	176.5	158.9	-60.6	-176.6	167.8	0	0	110.4	N536 I538 S562 G578	N536-E576 HydrophobicContact CB-CB 4.27Å; N536-E576 HydrophobicContact CB-CG 4.06Å; N536-E576 VanDerWaalsContact CB-OE2 3.3Å; N536-E576 WeakPolarHBondContact CB-OE2 3.47Å; N536-E576 PolarHBondContact ND2-OE2 3.36Å; N536-E576 PolarHBondContact O-N 2.87Å; I538-E576 HydrophobicContact CD1-CG 4.07Å; I538-E576 HydrophobicContact CG1-CG 3.65Å; S562-E576 PolarHBondContact OG-O 2.88Å; E576-G578 PolarHBondContact O-N 2.89Å
577	E	73.5	Confident	88.2	Confident	74 Å²	74	46.6 Å²	46.6	35%	0.346	27%	0.267	S	S	.	.	S	Bend	trans	-57.5	135.1	-176.8	-157.6	170.6	171	0	0	112.6	Q561 A805 Q806	Q561-E577 HydrophobicContact CB-CB 4.34Å; Q561-E577 HydrophobicContact CG-CB 4.49Å; E577-A805 HydrophobicContact CG-CB 4.16Å; E577-A805 WeakPolarHBondContact CG-O 3.48Å; E577-A805 WeakPolarHBondContact OE1-CB 3.48Å; E577-Q806 HydrophobicContact CB-CG 4.31Å; E577-Q806 PolarHBondContact OE1-N 3.39Å; E577-Q806 WeakPolarHBondContact OE2-CA 3.49Å; E577-Q806 VanDerWaalsContact OE2-CG 3.28Å; E577-Q806 WeakPolarHBondContact OE2-CG 3.38Å
578	G	66.2	Low	88.3	Confident	28 Å²	28	44.4 Å²	44.4	29%	0.289	26%	0.256	S	S	.	.			trans	177.1	171	-176	0	0	0	0	0	113.9	E576 F589	E576-G578 PolarHBondContact O-N 2.89Å; G578-F589 VanDerWaalsContact O-CZ 3.3Å; G578-F589 WeakPolarHBondContact O-CZ 3.38Å
579	G	73.9	Confident	88.4	Confident	25 Å²	25	41 Å²	41	26%	0.258	24%	0.24	S	C	.	.			trans	-117.6	161.3	-178	0	0	0	0	0	113.8	S533 T581	S533-G579 VanDerWaalsContact CA-O 3.27Å; S533-G579 WeakPolarHBondContact CA-O 3.14Å; S533-G579 VanDerWaalsContact CB-O 3.3Å; S533-G579 WeakPolarHBondContact CB-O 3.07Å; G579-T581 VanDerWaalsContact C-N 3.27Å; G579-T581 PolarHBondContact O-N 2.88Å
580	A	81.3	Confident	88.4	Confident	29 Å²	29	38.8 Å²	38.8	24%	0.24	23%	0.229	C	C	.	.			trans	-70	71.3	177.8	0	0	0	0	0	113	T528 K531 F589	T528-A580 HydrophobicContact CG2-CB 4.03Å; K531-A580 HydrophobicContact CB-CB 3.93Å; K531-A580 HydrophobicContact CD-CB 4.18Å; A580-F589 HydrophobicContact CB-CB 4.06Å; A580-F589 HydrophobicContact CB-CD1 3.71Å; A580-F589 HydrophobicContact CB-CE1 4.36Å; A580-F589 HydrophobicContact CB-CG 3.93Å
581	T	79.2	Confident	88.2	Confident	101 Å²	101	40.6 Å²	40.6	62%	0.62	24%	0.241	S	C	*	.			trans	-91.9	-13	-169.7	54.1	0	0	0	0	115.8	A532 G579	A532-T581 PolarHBondContact O-N 2.82Å; G579-T581 VanDerWaalsContact C-N 3.27Å; G579-T581 PolarHBondContact O-N 2.88Å
582	K	87	Confident	87.8	Confident	127 Å²	127	41.3 Å²	41.3	55%	0.552	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.4	-174.4	178.9	-173.1	173	-169.7	0	110.1	K531 A532	K531-K582 CarbonylContact C-O 3.58Å; K531-K582 WeakPolarHBondContact CA-O 3.3Å; A532-K582 PolarHBondContact N-O 3.11Å; A532-K582 WeakPolarHBondContact O-CB 3.47Å; A532-K582 PolarHBondContact O-N 2.83Å
583	E	90.4	Very high	87	Confident	125 Å²	125	41.8 Å²	41.8	58%	0.584	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64	144.2	171	-46.5	-58	134	0	0	110.9	K531	K531-E583 WeakPolarHBondContact CE-OE2 3.25Å; K531-E583 VanDerWaalsContact NZ-CD 3.29Å; K531-E583 IonicContact NZ-OE1 2.7Å; K531-E583 PolarHBondContact NZ-OE1 2.85Å; K531-E583 IonicContact NZ-OE2 2.79Å; K531-E583 PolarHBondContact NZ-OE2 2.04Å; K531-E583 VanDerWaalsContact NZ-OE2 3.11Å
584	S	90.4	Very high	85.6	Confident	29 Å²	29	41.3 Å²	41.3	20%	0.203	25%	0.245	C	C	.	.			trans	-147.3	142.5	176.7	-170	0	0	0	0	110.2	N530 M587	N530-S584 CarbonylContact C-O 3.55Å; N530-S584 WeakPolarHBondContact CA-O 3.21Å; N530-S584 VanDerWaalsContact CB-O 3.31Å; N530-S584 WeakPolarHBondContact CB-O 3.5Å; N530-S584 PolarHBondContact O-N 2.04Å; S584-M587 PolarHBondContact OG-N 3.32Å
585	A	87	Confident	83.5	Confident	92 Å²	92	44.8 Å²	44.8	76%	0.76	28%	0.281	S	S	*	.	S	Bend	trans	-74.1	-34.1	178.7	0	0	0	0	0	112.6
586	T	90.1	Very high	80.9	Confident	37 Å²	37	45.5 Å²	45.5	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	-109.7	-27.5	-171.1	59	0	0	0	0	113.4	D566 N567 E568	D566-T586 WeakPolarHBondContact OD2-CB 3.34Å; D566-T586 PolarHBondContact OD2-OG1 2.81Å; N567-T586 WeakPolarHBondContact CB-O 3.36Å; N567-T586 PolarHBondContact N-O 2.83Å; N567-T586 PolarHBondContact ND2-O 2.88Å; E568-T586 HydrophobicContact CB-CG2 4.45Å; E568-T586 HydrophobicContact CG-CG2 3.97Å
587	M	92.9	Very high	78.8	Confident	41 Å²	41	44.9 Å²	44.9	20%	0.202	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.2	-174.5	-65.2	179.7	174.5	0	0	112.8	N530 K531 A532 Y565 D566 S584	N530-M587 CarbonylContact C-O 3.5Å; N530-M587 VanDerWaalsContact CA-O 3.25Å; N530-M587 WeakPolarHBondContact CA-O 3.43Å; N530-M587 PolarHBondContact N-O 3.06Å; K531-M587 PolarHBondContact N-O 2.99Å; K531-M587 CarbonylContact O-C 3.6Å; A532-M587 HydrophobicContact CB-CB 4.36Å; A532-M587 HydrophobicContact CB-SD 4.45Å; Y565-M587 WeakPolarHBondContact O-CA 3.28Å; D566-M587 HydrophobicContact CB-CE 4.26Å; D566-M587 HydrophobicContact CB-CG 4.08Å; D566-M587 WeakPolarHBondContact OD2-CG 3.09Å; S584-M587 PolarHBondContact OG-N 3.32Å
588	S	93.7	Very high	77.8	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.028	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.6	167.7	-75.2	0	0	0	0	110.3	H527 K531 Y565 N567	H527-S588 WeakPolarHBondContact NE2-CB 3.45Å; H527-S588 PolarHBondContact NE2-OG 2.85Å; K531-S588 CarbonylContact O-C 3.58Å; K531-S588 WeakPolarHBondContact O-CA 3.26Å; Y565-S588 PolarHBondContact N-O 2.04Å; Y565-S588 PolarHBondContact O-N 2.82Å; N567-S588 WeakPolarHBondContact ND2-CB 3.32Å; N567-S588 PolarHBondContact ND2-N 2.55Å; N567-S588 PolarHBondContact ND2-OG 3.31Å; N567-S588 VanDerWaalsContact ND2-OG 3.1Å
589	F	94.8	Very high	77.5	Confident	10 Å²	10	44.4 Å²	44.4	4%	0.044	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.2	176.3	174	-99.1	0	0	0	110.3	H527 T528 K531 S562 V563 L575 G578 A580	H527-F589 WeakPolarHBondContact CA-O 3.47Å; T528-F589 PolarHBondContact N-O 3.07Å; T528-F589 PolarHBondContact O-N 2.82Å; K531-F589 PolarHBondContact O-N 3.35Å; S562-F589 VanDerWaalsContact CB-CZ 3.47Å; S562-F589 WeakPolarHBondContact OG-CE2 3.33Å; V563-F589 WeakPolarHBondContact O-CA 3.5Å; L575-F589 HydrophobicContact CD1-CE2 4.35Å; G578-F589 VanDerWaalsContact O-CZ 3.3Å; G578-F589 WeakPolarHBondContact O-CZ 3.38Å; A580-F589 HydrophobicContact CB-CB 4.06Å; A580-F589 HydrophobicContact CB-CD1 3.71Å; A580-F589 HydrophobicContact CB-CE1 4.36Å; A580-F589 HydrophobicContact CB-CG 3.93Å
590	Y	94.5	Very high	76.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.7	176.1	-61.1	-96.3	0	0	0	109.8	I439 D526 H527 L547 L551 S562 V563	I439-Y590 HydrophobicContact CD1-CE1 4.21Å; I439-Y590 HydrophobicContact CG2-CD1 4.3Å; I439-Y590 HydrophobicContact CG2-CE1 4.17Å; D526-Y590 CarbonylContact O-C 3.47Å; D526-Y590 VanDerWaalsContact O-CA 3.28Å; D526-Y590 WeakPolarHBondContact O-CA 3.28Å; H527-Y590 HydrophobicContact CB-CD1 3.71Å; H527-Y590 HydrophobicContact CB-CE1 3.6Å; H527-Y590 AromaticContact CD2-CD1 3.92Å; H527-Y590 AromaticContact CD2-CE1 3.39Å; H527-Y590 WeakPolarHBondContact CD2-CE1 3.48Å; H527-Y590 AromaticContact CD2-CE2 3.9Å; H527-Y590 AromaticContact CD2-CZ 3.38Å; H527-Y590 AromaticContact CG-CD1 3.95Å; H527-Y590 AromaticContact CG-CE1 3.4Å; H527-Y590 AromaticContact CG-CZ 3.83Å; H527-Y590 AromaticContact NE2-CZ 3.6Å; H527-Y590 PolarHBondContact NE2-OH 3.24Å; L547-Y590 HydrophobicContact CD1-CD2 4.24Å; L547-Y590 HydrophobicContact CD1-CE1 4.39Å; L547-Y590 HydrophobicContact CD1-CE2 3.76Å; L547-Y590 HydrophobicContact CD2-CE1 4.12Å; L547-Y590 WeakPolarHBondContact CD2-OH 3.43Å; L551-Y590 HydrophobicContact CD2-CD1 4.42Å; L551-Y590 HydrophobicContact CD2-CG 4.14Å; S562-Y590 CarbonylContact C-O 3.58Å; S562-Y590 VanDerWaalsContact CA-O 3.22Å; S562-Y590 WeakPolarHBondContact CA-O 2.87Å; S562-Y590 WeakPolarHBondContact CB-O 3.33Å; V563-Y590 PolarHBondContact N-O 2.85Å; V563-Y590 PolarHBondContact O-N 3.11Å
591	S	90.7	Very high	76.2	Confident	38 Å²	38	46 Å²	46	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.2	174.9	-164	0	0	0	0	109.9	F525 D526	F525-S591 CarbonylContact C-O 3.6Å; F525-S591 WeakPolarHBondContact CA-O 3.28Å; F525-S591 WeakPolarHBondContact CD1-O 3.47Å; D526-S591 PolarHBondContact N-O 2.89Å; D526-S591 PolarHBondContact O-N 2.9Å
592	K	87.7	Confident	75.4	Confident	20 Å²	20	44.4 Å²	44.4	9%	0.087	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.5	176.1	-169.1	172.4	179.3	171	0	109.9	F525 C554 L555 E557 C560 Q561 C594	F525-K592 HydrophobicContact CD1-CB 4.4Å; F525-K592 HydrophobicContact CE1-CB 3.99Å; F525-K592 HydrophobicContact CE1-CG 4.31Å; C554-K592 WeakPolarHBondContact O-CE 2.9Å; C554-K592 PolarHBondContact O-NZ 3.43Å; L555-K592 HydrophobicContact CD2-CG 4.3Å; L555-K592 PolarHBondContact O-NZ 3.1Å; E557-K592 PolarHBondContact O-NZ 2.8Å; C560-K592 WeakPolarHBondContact O-CD 2.99Å; C560-K592 PolarHBondContact O-NZ 3.4Å; C560-K592 VanDerWaalsContact O-NZ 3.12Å; Q561-K592 VanDerWaalsContact O-CB 3.23Å; Q561-K592 WeakPolarHBondContact O-CB 3.27Å; Q561-K592 PolarHBondContact O-N 2.75Å; K592-C594 WeakPolarHBondContact CE-O 3.44Å; K592-C594 WeakPolarHBondContact CG-O 3.29Å
593	V	81.4	Confident	74.4	Confident	11 Å²	11	39 Å²	39	7%	0.067	25%	0.253	C	S	.	.			trans	-131.7	-13.3	177	-173.3	0	0	0	0	111.5	Y523 A524 D526	Y523-V593 HydrophobicContact CD2-CB 4.43Å; Y523-V593 HydrophobicContact CD2-CG1 4.43Å; Y523-V593 HydrophobicContact CE2-CB 4.09Å; Y523-V593 HydrophobicContact CE2-CG1 3.81Å; Y523-V593 HydrophobicContact CE2-CG2 3.97Å; A524-V593 PolarHBondContact O-N 2.8Å; D526-V593 HydrophobicContact CB-CG2 4.36Å
594	C	67	Low	72.7	Confident	11 Å²	11	35.5 Å²	35.5	7%	0.074	24%	0.238	C	C	.	.	S	Bend	trans	-101	147.8	174.9	-173.1	0	0	0	0	112.3	C521 A524 L555 K592 A596	C521-C594 HydrophobicContact CB-CB 3.59Å; C521-C594 WeakPolarHBondContact CB-SG 3.32Å; C521-C594 WeakPolarHBondContact SG-CA 3.2Å; C521-C594 WeakPolarHBondContact SG-CB 3.28Å; C521-C594 CovalentContact SG-SG 2.03Å; C521-C594 PolarHBondContact SG-SG 2.87Å; A524-C594 HydrophobicContact CB-CB 4.15Å; A524-C594 PolarHBondContact O-N 3.46Å; L555-C594 HydrophobicContact CD2-CB 4.27Å; K592-C594 WeakPolarHBondContact CE-O 3.44Å; K592-C594 WeakPolarHBondContact CG-O 3.29Å; C594-A596 PolarHBondContact O-N 3.13Å
595	G	52.3	Low	71.2	Confident	73 Å²	73	41.1 Å²	41.1	75%	0.753	26%	0.259	S	S	*	.	S	Bend	trans	78.8	-19.9	-166.3	0	0	0	0	0	113.2	G597	G595-G597 VanDerWaalsContact C-N 3.35Å; G595-G597 PolarHBondContact O-N 2.9Å
596	A	39.2	Very low	69.9	Low	15 Å²	15	41 Å²	41	12%	0.124	25%	0.246	C	C	.	.			trans	-72.6	83.5	167.4	0	0	0	0	0	110.4	C594 E598	C594-A596 PolarHBondContact O-N 3.13Å; A596-E598 VanDerWaalsContact CA-OE2 3.31Å; A596-E598 WeakPolarHBondContact CA-OE2 3.39Å; A596-E598 HydrophobicContact CB-CB 4.11Å; A596-E598 HydrophobicContact CB-CG 4.34Å; A596-E598 VanDerWaalsContact CB-OE2 3.24Å; A596-E598 WeakPolarHBondContact CB-OE2 3.35Å; A596-E598 PolarHBondContact O-N 2.75Å
597	G	40.8	Very low	68.7	Low	53 Å²	53	39.3 Å²	39.3	55%	0.546	24%	0.235	S	C	.	.			trans	-69.6	45.4	167.1	0	0	0	0	0	112.3	G595	G595-G597 VanDerWaalsContact C-N 3.35Å; G595-G597 PolarHBondContact O-N 2.9Å
598	E	53.7	Low	67.7	Low	73 Å²	73	37.3 Å²	37.3	34%	0.341	23%	0.226	S	C	.	.	S	Bend	trans	-133.5	148.2	-144.5	-71.2	-178.1	121.6	0	0	115.1	A596 Q600	A596-E598 VanDerWaalsContact CA-OE2 3.31Å; A596-E598 WeakPolarHBondContact CA-OE2 3.39Å; A596-E598 HydrophobicContact CB-CB 4.11Å; A596-E598 HydrophobicContact CB-CG 4.34Å; A596-E598 VanDerWaalsContact CB-OE2 3.24Å; A596-E598 WeakPolarHBondContact CB-OE2 3.35Å; A596-E598 PolarHBondContact O-N 2.75Å; E598-Q600 PolarHBondContact O-N 2.92Å
599	M	60.5	Low	66.8	Low	18 Å²	18	38.9 Å²	38.9	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	89.7	175.7	-155.4	73	156.2	0	0	109.8	T601 V610 V612 V767 V769 Y787 V789	M599-T601 PolarHBondContact O-N 3.19Å; M599-V610 HydrophobicContact CE-CG1 3.75Å; M599-V610 HydrophobicContact CG-CG1 3.62Å; M599-V610 HydrophobicContact SD-CG1 4.04Å; M599-V612 HydrophobicContact CE-CG2 3.87Å; M599-V612 HydrophobicContact SD-CB 4.23Å; M599-V612 HydrophobicContact SD-CG1 4.13Å; M599-V612 HydrophobicContact SD-CG2 3.6Å; M599-V612 VanDerWaalsContact SD-CG2 3.6Å; M599-V767 HydrophobicContact CE-CB 3.54Å; M599-V767 HydrophobicContact CE-CG1 3.28Å; M599-V767 HydrophobicContact CE-CG2 4.47Å; M599-V769 HydrophobicContact CE-CG2 3.73Å; M599-V769 HydrophobicContact SD-CG2 4.07Å; M599-Y787 HydrophobicContact CB-CD1 3.67Å; M599-Y787 HydrophobicContact CB-CD2 4.4Å; M599-Y787 HydrophobicContact CB-CE1 4.04Å; M599-Y787 HydrophobicContact CB-CG 3.86Å; M599-Y787 HydrophobicContact CE-CD2 3.69Å; M599-Y787 HydrophobicContact CE-CE2 4.43Å; M599-Y787 HydrophobicContact CE-CG 4.14Å; M599-Y787 HydrophobicContact CG-CD1 4.17Å; M599-Y787 HydrophobicContact CG-CD2 4.14Å; M599-Y787 HydrophobicContact CG-CG 3.81Å; M599-Y787 HydrophobicContact SD-CD2 3.58Å; M599-Y787 VanDerWaalsContact SD-CD2 3.58Å; M599-Y787 HydrophobicContact SD-CE2 3.91Å; M599-Y787 HydrophobicContact SD-CG 3.91Å; M599-V789 HydrophobicContact CB-CG1 4.42Å; M599-V789 HydrophobicContact CG-CG1 3.68Å
600	Q	59.7	Low	66	Low	47 Å²	47	38.4 Å²	38.4	22%	0.22	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	119.6	-179.4	-71.4	-171.7	-23	0	0	111.3	E598 V610 K611	E598-Q600 PolarHBondContact O-N 2.92Å; Q600-V610 WeakPolarHBondContact O-CA 3.23Å; Q600-K611 HydrophobicContact CB-CB 4.17Å; Q600-K611 PolarHBondContact N-O 2.95Å; Q600-K611 PolarHBondContact O-N 2.89Å
601	T	66.3	Low	65.2	Low	42 Å²	42	39.5 Å²	39.5	26%	0.258	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.4	174.3	4.3	0	0	0	0	112.2	M599 M608 V610 V789	M599-T601 PolarHBondContact O-N 3.19Å; T601-M608 HydrophobicContact CG2-CG 3.79Å; T601-M608 HydrophobicContact CG2-SD 3.56Å; T601-M608 VanDerWaalsContact CG2-SD 3.56Å; T601-V610 HydrophobicContact CG2-CG2 4.19Å; T601-V789 HydrophobicContact CG2-CB 3.78Å; T601-V789 HydrophobicContact CG2-CG1 4.11Å
602	I	64	Low	64.6	Low	67 Å²	67	37.8 Å²	37.8	34%	0.344	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.6	-179.7	-51.2	172.5	0	0	0	108.2	K609	I602-K609 HydrophobicContact CB-CB 4.23Å; I602-K609 PolarHBondContact N-O 2.57Å; I602-K609 PolarHBondContact O-N 2.86Å
603	C	64.5	Low	63.7	Low	14 Å²	14	38.2 Å²	38.2	10%	0.095	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106.5	-174.1	-52	0	0	0	0	111.2	C791 Y793	C603-C791 WeakPolarHBondContact CA-SG 3.41Å; C603-C791 HydrophobicContact CB-CB 3.71Å; C603-C791 WeakPolarHBondContact CB-SG 3.29Å; C603-C791 VanDerWaalsContact SG-CA 3.59Å; C603-C791 WeakPolarHBondContact SG-CB 3.41Å; C603-C791 CovalentContact SG-SG 2.03Å; C603-C791 PolarHBondContact SG-SG 3.01Å; C603-Y793 HydrophobicContact CB-CE1 4.25Å
604	N	55.3	Low	63	Low	51 Å²	51	39.5 Å²	39.5	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	167.1	-177.2	-82.2	15.2	0	0	0	113.2	D606 G607 K609 Y793	N604-D606 WeakPolarHBondContact CB-OD1 3.15Å; N604-D606 PolarHBondContact ND2-OD1 3.32Å; N604-D606 PolarHBondContact O-N 3.13Å; N604-G607 WeakPolarHBondContact CA-O 3.3Å; N604-G607 WeakPolarHBondContact CB-O 3.34Å; N604-G607 PolarHBondContact N-O 3.34Å; N604-G607 PolarHBondContact O-N 2.79Å; N604-K609 PolarHBondContact ND2-NZ 2.97Å; N604-Y793 PolarHBondContact N-OH 3.47Å; N604-Y793 WeakPolarHBondContact O-CE1 3.4Å; N604-Y793 PolarHBondContact O-OH 2.97Å
605	F	58.9	Low	62.7	Low	147 Å²	147	45.4 Å²	45.4	65%	0.645	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21	166	-63.1	-81.7	0	0	0	114.6	F647 V801	F605-F647 WeakPolarHBondContact O-CE2 3.36Å; F605-V801 HydrophobicContact CD1-CG2 3.89Å; F605-V801 HydrophobicContact CD2-CG2 4.34Å; F605-V801 HydrophobicContact CE1-CG2 3.48Å; F605-V801 VanDerWaalsContact CE1-CG2 3.48Å; F605-V801 HydrophobicContact CE2-CB 4.46Å; F605-V801 HydrophobicContact CE2-CG2 3.97Å; F605-V801 HydrophobicContact CG-CG2 4.31Å; F605-V801 HydrophobicContact CZ-CB 4.2Å; F605-V801 HydrophobicContact CZ-CG2 3.53Å
606	D	59.9	Low	63.3	Low	89 Å²	89	49.4 Å²	49.4	48%	0.476	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15	173.4	57	-52.9	0	0	0	113.8	N604 K609 G646 F647	N604-D606 WeakPolarHBondContact CB-OD1 3.15Å; N604-D606 PolarHBondContact ND2-OD1 3.32Å; N604-D606 PolarHBondContact O-N 3.13Å; D606-K609 IonicContact OD1-NZ 3.76Å; D606-K609 PolarHBondContact OD1-NZ 3.5Å; D606-K609 WeakPolarHBondContact OD2-CE 3.45Å; D606-K609 IonicContact OD2-NZ 2.57Å; D606-K609 PolarHBondContact OD2-NZ 2.95Å; D606-G646 WeakPolarHBondContact O-CA 3.44Å; D606-F647 PolarHBondContact O-N 2.98Å
607	G	64.9	Low	64.9	Low	1 Å²	1	51.2 Å²	51.2	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	140.3	-166.1	-179.2	0	0	0	0	0	112.3	N604 Y793	N604-G607 WeakPolarHBondContact CA-O 3.3Å; N604-G607 WeakPolarHBondContact CB-O 3.34Å; N604-G607 PolarHBondContact N-O 3.34Å; N604-G607 PolarHBondContact O-N 2.79Å; G607-Y793 VanDerWaalsContact C-OH 3.32Å; G607-Y793 PolarHBondContact O-OH 3.09Å
608	M	72.9	Confident	66.6	Low	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.2	175.8	177.2	162.3	67.5	0	0	110	T601 V610 L645 Y763 A765 V789 C791	T601-M608 HydrophobicContact CG2-CG 3.79Å; T601-M608 HydrophobicContact CG2-SD 3.56Å; T601-M608 VanDerWaalsContact CG2-SD 3.56Å; M608-V610 HydrophobicContact CG-CG2 4.14Å; M608-L645 HydrophobicContact CB-CB 4.24Å; M608-L645 HydrophobicContact CE-CD1 3.57Å; M608-L645 HydrophobicContact CG-CD1 4.35Å; M608-L645 PolarHBondContact N-O 2.63Å; M608-L645 CarbonylContact O-C 3.5Å; M608-L645 VanDerWaalsContact O-CA 3.31Å; M608-L645 WeakPolarHBondContact O-CA 3.24Å; M608-L645 VanDerWaalsContact O-CB 3.24Å; M608-L645 WeakPolarHBondContact O-CB 3.1Å; M608-L645 PolarHBondContact O-N 2.68Å; M608-Y763 HydrophobicContact CB-CD1 3.84Å; M608-Y763 HydrophobicContact CB-CE1 3.87Å; M608-Y763 HydrophobicContact CE-CD1 3.99Å; M608-Y763 HydrophobicContact CE-CE1 4.23Å; M608-A765 HydrophobicContact CE-CB 3.9Å; M608-V789 HydrophobicContact CE-CB 4.43Å; M608-V789 HydrophobicContact CE-CG2 3.96Å; M608-V789 HydrophobicContact SD-CB 4.43Å; M608-C791 VanDerWaalsContact CG-SG 3.59Å; M608-C791 HydrophobicContact SD-CB 4.14Å; M608-C791 PolarHBondContact SD-SG 2.99Å
609	K	74.8	Confident	67.9	Low	36 Å²	36	48.3 Å²	48.3	16%	0.157	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.6	169.1	-56.6	168.2	-175	163.6	0	108.4	I602 N604 D606 L643	I602-K609 HydrophobicContact CB-CB 4.23Å; I602-K609 PolarHBondContact N-O 2.57Å; I602-K609 PolarHBondContact O-N 2.86Å; N604-K609 PolarHBondContact ND2-NZ 2.97Å; D606-K609 IonicContact OD1-NZ 3.76Å; D606-K609 PolarHBondContact OD1-NZ 3.5Å; D606-K609 WeakPolarHBondContact OD2-CE 3.45Å; D606-K609 IonicContact OD2-NZ 2.57Å; D606-K609 PolarHBondContact OD2-NZ 2.95Å; K609-L643 CarbonylContact C-O 3.58Å; K609-L643 WeakPolarHBondContact CA-O 3.23Å
610	V	78.1	Confident	69	Low	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	107	-173.2	-169.2	0	0	0	0	108.4	M599 Q600 T601 M608 M642 L643 L645 V789	M599-V610 HydrophobicContact CE-CG1 3.75Å; M599-V610 HydrophobicContact CG-CG1 3.62Å; M599-V610 HydrophobicContact SD-CG1 4.04Å; Q600-V610 WeakPolarHBondContact O-CA 3.23Å; T601-V610 HydrophobicContact CG2-CG2 4.19Å; M608-V610 HydrophobicContact CG-CG2 4.14Å; V610-M642 CarbonylContact O-C 3.57Å; V610-M642 WeakPolarHBondContact O-CA 3.5Å; V610-L643 HydrophobicContact CB-CB 4.43Å; V610-L643 PolarHBondContact N-O 3.18Å; V610-L643 PolarHBondContact O-N 3.31Å; V610-L645 HydrophobicContact CG2-CD1 3.69Å; V610-L645 HydrophobicContact CG2-CG 4.34Å; V610-V789 HydrophobicContact CG1-CG1 4.03Å; V610-V789 HydrophobicContact CG2-CG2 4.09Å
611	K	76.1	Confident	70.3	Confident	24 Å²	24	46.1 Å²	46.1	10%	0.104	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.8	-179.5	170.6	-171.6	162.5	-156.4	0	108.7	Y523 Q600 A641	Y523-K611 PolarHBondContact OH-NZ 3.28Å; Q600-K611 HydrophobicContact CB-CB 4.17Å; Q600-K611 PolarHBondContact N-O 2.95Å; Q600-K611 PolarHBondContact O-N 2.89Å; K611-A641 CarbonylContact C-O 3.56Å; K611-A641 WeakPolarHBondContact CA-O 3.34Å
612	V	78.4	Confident	71.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.8	171.6	-163.8	0	0	0	0	108.4	M599 V622 T640 A641 V769	M599-V612 HydrophobicContact CE-CG2 3.87Å; M599-V612 HydrophobicContact SD-CB 4.23Å; M599-V612 HydrophobicContact SD-CG1 4.13Å; M599-V612 HydrophobicContact SD-CG2 3.6Å; M599-V612 VanDerWaalsContact SD-CG2 3.6Å; V612-V622 HydrophobicContact CB-CG2 4.35Å; V612-V622 HydrophobicContact CG2-CB 4.24Å; V612-V622 HydrophobicContact CG2-CG1 3.54Å; V612-V622 HydrophobicContact CG2-CG2 3.67Å; V612-T640 VanDerWaalsContact O-CA 3.32Å; V612-T640 WeakPolarHBondContact O-CA 3.04Å; V612-A641 HydrophobicContact CB-CB 4.49Å; V612-A641 PolarHBondContact N-O 2.98Å; V612-A641 PolarHBondContact O-N 2.9Å; V612-V769 HydrophobicContact CG1-CG1 3.99Å; V612-V769 HydrophobicContact CG1-CG2 3.79Å; V612-V769 HydrophobicContact CG2-CG2 4.05Å
613	T	69.5	Low	72.4	Confident	29 Å²	29	41.1 Å²	41.1	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.6	171	-48.4	0	0	0	0	108.7	N639 T640	T613-N639 CarbonylContact C-O 3.59Å; T613-N639 WeakPolarHBondContact CA-O 3.44Å; T613-T640 HydrophobicContact CG2-CG2 3.94Å
614	K	66.4	Low	73.3	Confident	37 Å²	37	40.8 Å²	40.8	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.2	173.3	-72.1	-169	-177.7	-80.3	0	110.9	E616 F618 N639 T771 E785	K614-E616 WeakPolarHBondContact CB-O 3.44Å; K614-F618 HydrophobicContact CB-CD1 4.45Å; K614-F618 HydrophobicContact CD-CB 4.18Å; K614-F618 HydrophobicContact CD-CD1 3.51Å; K614-F618 HydrophobicContact CD-CE1 3.92Å; K614-F618 HydrophobicContact CD-CG 3.9Å; K614-F618 HydrophobicContact CG-CD1 4.14Å; K614-F618 HydrophobicContact CG-CE1 4.2Å; K614-N639 PolarHBondContact N-O 2.69Å; K614-N639 WeakPolarHBondContact O-CB 3.32Å; K614-T771 HydrophobicContact CD-CG2 4.48Å; K614-T771 VanDerWaalsContact CE-CG2 3.5Å; K614-E785 IonicContact NZ-OE1 3.45Å; K614-E785 PolarHBondContact NZ-OE1 2.72Å; K614-E785 IonicContact NZ-OE2 2.62Å; K614-E785 PolarHBondContact NZ-OE2 2.92Å
615	E	60.8	Low	74.4	Confident	135 Å²	135	42.7 Å²	42.7	63%	0.631	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	-52.2	172.1	-56.6	-176.4	158.4	0	0	110.3	G520	G520-E615 WeakPolarHBondContact O-CA 3.47Å
616	E	64.4	Low	75.1	Confident	157 Å²	157	44.2 Å²	44.2	73%	0.734	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.5	176.1	-61.5	-165.7	152.1	0	0	112.8	K614	K614-E616 WeakPolarHBondContact CB-O 3.44Å
617	P	73	Confident	75.8	Confident	54 Å²	54	42.5 Å²	42.5	35%	0.351	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.8	169.2	-18.6	31.8	0	0	0	111.4	D637	P617-D637 WeakPolarHBondContact CB-OD1 3.48Å
618	F	77	Confident	76.5	Confident	13 Å²	13	43.8 Å²	43.8	6%	0.057	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	161.9	177.6	73.5	-74.7	0	0	0	112.3	K614 V622 V635 D637 S638 A641 V769 T771	K614-F618 HydrophobicContact CB-CD1 4.45Å; K614-F618 HydrophobicContact CD-CB 4.18Å; K614-F618 HydrophobicContact CD-CD1 3.51Å; K614-F618 HydrophobicContact CD-CE1 3.92Å; K614-F618 HydrophobicContact CD-CG 3.9Å; K614-F618 HydrophobicContact CG-CD1 4.14Å; K614-F618 HydrophobicContact CG-CE1 4.2Å; F618-V622 HydrophobicContact CE2-CG2 4.28Å; F618-V622 HydrophobicContact CZ-CG2 3.98Å; F618-V635 HydrophobicContact CD1-CG1 4.23Å; F618-V635 HydrophobicContact CD2-CB 4.36Å; F618-V635 HydrophobicContact CD2-CG1 4.29Å; F618-V635 HydrophobicContact CE1-CG1 3.93Å; F618-V635 HydrophobicContact CE2-CB 3.91Å; F618-V635 HydrophobicContact CE2-CG1 3.99Å; F618-V635 HydrophobicContact CE2-CG2 3.91Å; F618-V635 HydrophobicContact CG-CG1 4.42Å; F618-V635 HydrophobicContact CZ-CB 4.11Å; F618-V635 HydrophobicContact CZ-CG1 3.81Å; F618-V635 HydrophobicContact CZ-CG2 3.88Å; F618-D637 PolarHBondContact O-N 3.07Å; F618-D637 VanDerWaalsContact O-N 3.15Å; F618-S638 WeakPolarHBondContact CD1-O 3.25Å; F618-S638 PolarHBondContact N-O 3.47Å; F618-S638 PolarHBondContact O-N 3.18Å; F618-A641 HydrophobicContact CZ-CB 4.45Å; F618-V769 HydrophobicContact CE2-CG1 3.79Å; F618-V769 HydrophobicContact CZ-CG1 3.88Å; F618-T771 HydrophobicContact CD2-CG2 4.4Å
619	T	81.5	Confident	76.4	Confident	51 Å²	51	50.2 Å²	50.2	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.2	170.9	-63.1	0	0	0	0	108	V635 K636 D637 T771	T619-V635 CarbonylContact C-O 3.26Å; T619-V635 WeakPolarHBondContact CA-O 3.43Å; T619-K636 HydrophobicContact CG2-CG 4.35Å; T619-D637 PolarHBondContact OG1-N 2.85Å; T619-D637 VanDerWaalsContact OG1-N 3.1Å; T619-T771 CarbonylContact O-C 3.5Å
620	G	83.6	Confident	76.1	Confident	18 Å²	18	52.7 Å²	52.7	19%	0.186	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	-139	-169.8	0	0	0	0	0	111.3	V635 Q770	G620-V635 PolarHBondContact N-O 3.18Å; G620-V635 PolarHBondContact O-N 3.19Å; G620-Q770 WeakPolarHBondContact CA-O 3.27Å
621	A	86.7	Confident	76	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	147.7	-177	0	0	0	0	0	113.3	F623 Y628 V633 Q770	A621-F623 HydrophobicContact CB-CD1 4.18Å; A621-Y628 HydrophobicContact CB-CE2 4.02Å; A621-V633 WeakPolarHBondContact CA-O 3.33Å; A621-Q770 PolarHBondContact N-O 2.89Å; A621-Q770 WeakPolarHBondContact O-CB 3.25Å; A621-Q770 PolarHBondContact O-N 2.75Å
622	V	87.1	Confident	76.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.8	169.8	179	0	0	0	0	108.3	V612 F618 R632 V633 V635 A641 L643 V767 V768 V769	V612-V622 HydrophobicContact CB-CG2 4.35Å; V612-V622 HydrophobicContact CG2-CB 4.24Å; V612-V622 HydrophobicContact CG2-CG1 3.54Å; V612-V622 HydrophobicContact CG2-CG2 3.67Å; F618-V622 HydrophobicContact CE2-CG2 4.28Å; F618-V622 HydrophobicContact CZ-CG2 3.98Å; V622-R632 CarbonylContact O-C 3.52Å; V622-R632 WeakPolarHBondContact O-CA 3.44Å; V622-V633 PolarHBondContact N-O 2.87Å; V622-V633 PolarHBondContact O-N 3.18Å; V622-V635 HydrophobicContact CG2-CG2 3.96Å; V622-A641 HydrophobicContact CG2-CB 3.86Å; V622-L643 HydrophobicContact CG1-CB 4.12Å; V622-L643 HydrophobicContact CG1-CD2 4.16Å; V622-V767 HydrophobicContact CG1-CG1 3.61Å; V622-V768 WeakPolarHBondContact CA-O 3.49Å; V622-V769 HydrophobicContact CG2-CG1 4.27Å; V622-V769 HydrophobicContact CG2-CG2 4.32Å
623	F	87.6	Confident	76.8	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.1	-171.3	63.3	-86.2	0	0	0	114	A621 K625 Y628 C631 R632 V767 V768 Q770 V780	A621-F623 HydrophobicContact CB-CD1 4.18Å; F623-K625 PolarHBondContact O-N 3.3Å; F623-Y628 HydrophobicContact CB-CD2 4.17Å; F623-Y628 AromaticContact CD1-CD2 3.64Å; F623-Y628 HydrophobicContact CD1-CD2 3.64Å; F623-Y628 AromaticContact CD1-CE2 3.88Å; F623-Y628 HydrophobicContact CD1-CE2 3.88Å; F623-Y628 AromaticContact CD2-CD2 3.72Å; F623-Y628 HydrophobicContact CD2-CD2 3.72Å; F623-Y628 HydrophobicContact CD2-CG 4.42Å; F623-Y628 AromaticContact CE1-CD2 3.79Å; F623-Y628 HydrophobicContact CE1-CD2 3.79Å; F623-Y628 AromaticContact CE1-CE2 3.98Å; F623-Y628 HydrophobicContact CE1-CE2 3.98Å; F623-Y628 AromaticContact CE2-CD2 3.89Å; F623-Y628 HydrophobicContact CE2-CD2 3.89Å; F623-Y628 AromaticContact CG-CD2 3.6Å; F623-Y628 HydrophobicContact CG-CD2 3.6Å; F623-Y628 HydrophobicContact CG-CE2 4.26Å; F623-Y628 AromaticContact CZ-CD2 3.91Å; F623-Y628 HydrophobicContact CZ-CD2 3.91Å; F623-Y628 HydrophobicContact CZ-CE2 4.47Å; F623-C631 WeakPolarHBondContact CA-O 3.41Å; F623-R632 HydrophobicContact CB-CB 3.52Å; F623-V767 CarbonylContact O-C 3.57Å; F623-V767 WeakPolarHBondContact O-CA 3.44Å; F623-V767 WeakPolarHBondContact O-CG1 3.41Å; F623-V768 HydrophobicContact CD1-CB 4.25Å; F623-V768 HydrophobicContact CD2-CB 4.33Å; F623-V768 HydrophobicContact CE1-CB 3.87Å; F623-V768 HydrophobicContact CE1-CG1 3.88Å; F623-V768 HydrophobicContact CE2-CB 3.94Å; F623-V768 HydrophobicContact CE2-CG1 4.45Å; F623-V768 HydrophobicContact CE2-CG2 4.05Å; F623-V768 HydrophobicContact CG-CB 4.48Å; F623-V768 HydrophobicContact CZ-CB 3.71Å; F623-V768 HydrophobicContact CZ-CG1 3.76Å; F623-V768 HydrophobicContact CZ-CG2 4.18Å; F623-V768 PolarHBondContact N-O 2.9Å; F623-V768 PolarHBondContact O-N 3.2Å; F623-Q770 HydrophobicContact CE1-CB 4.03Å; F623-V780 HydrophobicContact CE2-CG2 4.47Å; F623-V780 HydrophobicContact CZ-CG2 4.1Å
624	V	83.4	Confident	77.6	Confident	8 Å²	8	62.8 Å²	62.8	5%	0.048	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.3	170.5	174.8	0	0	0	0	109.6	M626 K627 C631 L643 L645 A765 V766 V767	V624-M626 PolarHBondContact O-N 2.85Å; V624-K627 HydrophobicContact CB-CB 3.84Å; V624-K627 HydrophobicContact CB-CG 4.18Å; V624-K627 HydrophobicContact CG1-CB 4.01Å; V624-K627 HydrophobicContact CG1-CG 3.79Å; V624-K627 WeakPolarHBondContact O-CA 3.4Å; V624-K627 WeakPolarHBondContact O-CB 3.43Å; V624-K627 PolarHBondContact O-N 2.74Å; V624-C631 HydrophobicContact CB-CB 4.17Å; V624-C631 HydrophobicContact CG2-CB 4.26Å; V624-C631 VanDerWaalsContact CG2-SG 3.55Å; V624-C631 PolarHBondContact N-O 3.32Å; V624-L643 HydrophobicContact CG2-CD2 4.11Å; V624-L645 HydrophobicContact CG2-CD1 4.41Å; V624-L645 HydrophobicContact CG2-CD2 3.45Å; V624-L645 VanDerWaalsContact CG2-CD2 3.45Å; V624-A765 HydrophobicContact CG2-CB 4.43Å; V624-V766 CarbonylContact C-O 3.51Å; V624-V766 WeakPolarHBondContact CA-O 3.06Å; V624-V767 HydrophobicContact CG2-CG2 4.16Å
625	K	78.3	Confident	78.4	Confident	91 Å²	91	61.4 Å²	61.4	40%	0.396	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135.2	177.8	-168.5	172.3	-179.8	171.9	0	110.4	F623 K627 V766 V768	F623-K625 PolarHBondContact O-N 3.3Å; K625-K627 PolarHBondContact O-N 3.15Å; K625-V766 HydrophobicContact CB-CB 4.11Å; K625-V766 HydrophobicContact CB-CG1 4.04Å; K625-V766 HydrophobicContact CD-CB 4.38Å; K625-V766 HydrophobicContact CD-CG1 3.76Å; K625-V766 PolarHBondContact N-O 2.81Å; K625-V768 HydrophobicContact CB-CG2 4.13Å; K625-V768 HydrophobicContact CG-CG2 4.35Å
626	M	73.4	Confident	79.3	Confident	179 Å²	179	63.6 Å²	63.6	88%	0.882	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	13.5	-171.4	-46.2	-57.4	-68.6	0	0	115.8	V624	V624-M626 PolarHBondContact O-N 2.85Å
627	K	73.3	Confident	79.9	Confident	53 Å²	53	61.7 Å²	61.7	23%	0.23	31%	0.312	C	S	.	.			trans	-131.8	20.7	-175.4	-65.3	-76	-172.9	161.4	0	114.1	V624 K625 D629 T630 C631 C735 G736	V624-K627 HydrophobicContact CB-CB 3.84Å; V624-K627 HydrophobicContact CB-CG 4.18Å; V624-K627 HydrophobicContact CG1-CB 4.01Å; V624-K627 HydrophobicContact CG1-CG 3.79Å; V624-K627 WeakPolarHBondContact O-CA 3.4Å; V624-K627 WeakPolarHBondContact O-CB 3.43Å; V624-K627 PolarHBondContact O-N 2.74Å; K625-K627 PolarHBondContact O-N 3.15Å; K627-D629 PolarHBondContact O-N 3.2Å; K627-T630 PolarHBondContact O-N 3.28Å; K627-T630 PolarHBondContact O-OG1 3.22Å; K627-C631 HydrophobicContact CB-CB 3.88Å; K627-C631 PolarHBondContact O-N 2.85Å; K627-C735 WeakPolarHBondContact CD-O 3.27Å; K627-C735 VanDerWaalsContact CE-O 3.25Å; K627-C735 WeakPolarHBondContact CE-O 3.43Å; K627-C735 PolarHBondContact NZ-O 2.89Å; K627-G736 VanDerWaalsContact NZ-C 3.3Å; K627-G736 PolarHBondContact NZ-O 2.85Å
628	Y	79.3	Confident	80	Confident	28 Å²	28	60.1 Å²	60.1	11%	0.11	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-35.8	-172.7	-171.3	-89.2	0	0	0	114.6	A621 F623 R632 P777 G778	A621-Y628 HydrophobicContact CB-CE2 4.02Å; F623-Y628 HydrophobicContact CB-CD2 4.17Å; F623-Y628 AromaticContact CD1-CD2 3.64Å; F623-Y628 HydrophobicContact CD1-CD2 3.64Å; F623-Y628 AromaticContact CD1-CE2 3.88Å; F623-Y628 HydrophobicContact CD1-CE2 3.88Å; F623-Y628 AromaticContact CD2-CD2 3.72Å; F623-Y628 HydrophobicContact CD2-CD2 3.72Å; F623-Y628 HydrophobicContact CD2-CG 4.42Å; F623-Y628 AromaticContact CE1-CD2 3.79Å; F623-Y628 HydrophobicContact CE1-CD2 3.79Å; F623-Y628 AromaticContact CE1-CE2 3.98Å; F623-Y628 HydrophobicContact CE1-CE2 3.98Å; F623-Y628 AromaticContact CE2-CD2 3.89Å; F623-Y628 HydrophobicContact CE2-CD2 3.89Å; F623-Y628 AromaticContact CG-CD2 3.6Å; F623-Y628 HydrophobicContact CG-CD2 3.6Å; F623-Y628 HydrophobicContact CG-CE2 4.26Å; F623-Y628 AromaticContact CZ-CD2 3.91Å; F623-Y628 HydrophobicContact CZ-CD2 3.91Å; F623-Y628 HydrophobicContact CZ-CE2 4.47Å; Y628-R632 VanDerWaalsContact CD1-NH1 3.3Å; Y628-R632 VanDerWaalsContact CE1-CZ 3.41Å; Y628-R632 WeakPolarHBondContact O-CB 3.4Å; Y628-R632 VanDerWaalsContact O-CD 3.22Å; Y628-R632 WeakPolarHBondContact O-CD 3.11Å; Y628-R632 VanDerWaalsContact O-CG 3.22Å; Y628-R632 WeakPolarHBondContact O-CG 2.9Å; Y628-R632 PolarHBondContact O-NH1 3.37Å; Y628-P777 HydrophobicContact CD1-CB 3.85Å; Y628-P777 HydrophobicContact CE1-CB 3.47Å; Y628-P777 VanDerWaalsContact CE1-CB 3.47Å; Y628-P777 HydrophobicContact CE1-CG 4.36Å; Y628-G778 VanDerWaalsContact CD2-CA 3.46Å; Y628-G778 VanDerWaalsContact CD2-N 3.28Å
629	D	70.8	Confident	79.8	Confident	135 Å²	135	59.9 Å²	59.9	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.7	-178.5	-57	-57.9	0	0	0	115.1	K627 R632	K627-D629 PolarHBondContact O-N 3.2Å; D629-R632 IonicContact OD1-NH1 2.72Å; D629-R632 PolarHBondContact OD1-NH1 2.87Å
630	T	68.4	Low	79.3	Confident	88 Å²	88	60 Å²	60	54%	0.54	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-17.6	-176.6	52.2	0	0	0	0	113.9	K627	K627-T630 PolarHBondContact O-N 3.28Å; K627-T630 PolarHBondContact O-OG1 3.22Å
631	C	76.6	Confident	79.2	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.027	30%	0.299	C	S	.	.	S	Bend	trans	-151.8	66.9	-169.6	-155.8	0	0	0	0	110.9	F623 V624 K627 L645 C735	F623-C631 WeakPolarHBondContact CA-O 3.41Å; V624-C631 HydrophobicContact CB-CB 4.17Å; V624-C631 HydrophobicContact CG2-CB 4.26Å; V624-C631 VanDerWaalsContact CG2-SG 3.55Å; V624-C631 PolarHBondContact N-O 3.32Å; K627-C631 HydrophobicContact CB-CB 3.88Å; K627-C631 PolarHBondContact O-N 2.85Å; C631-L645 WeakPolarHBondContact SG-CD2 3.47Å; C631-C735 HydrophobicContact CB-CB 3.69Å; C631-C735 WeakPolarHBondContact CB-SG 3.17Å; C631-C735 WeakPolarHBondContact SG-CB 3.35Å; C631-C735 CovalentContact SG-SG 2.04Å; C631-C735 PolarHBondContact SG-SG 3.44Å
632	R	86.5	Confident	78.9	Confident	87 Å²	87	63.9 Å²	63.9	33%	0.328	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.2	176.7	76.9	167.8	-177.7	-96.8	8.3	113.8	V622 F623 Y628 D629 E634	V622-R632 CarbonylContact O-C 3.52Å; V622-R632 WeakPolarHBondContact O-CA 3.44Å; F623-R632 HydrophobicContact CB-CB 3.52Å; Y628-R632 VanDerWaalsContact CD1-NH1 3.3Å; Y628-R632 VanDerWaalsContact CE1-CZ 3.41Å; Y628-R632 WeakPolarHBondContact O-CB 3.4Å; Y628-R632 VanDerWaalsContact O-CD 3.22Å; Y628-R632 WeakPolarHBondContact O-CD 3.11Å; Y628-R632 VanDerWaalsContact O-CG 3.22Å; Y628-R632 WeakPolarHBondContact O-CG 2.9Å; Y628-R632 PolarHBondContact O-NH1 3.37Å; D629-R632 IonicContact OD1-NH1 2.72Å; D629-R632 PolarHBondContact OD1-NH1 2.87Å; R632-E634 IonicContact CZ-OE1 3.64Å; R632-E634 IonicContact NE-OE1 2.63Å; R632-E634 PolarHBondContact NE-OE1 2.83Å; R632-E634 IonicContact NH2-OE1 2.71Å; R632-E634 PolarHBondContact NH2-OE1 3.44Å
633	V	86	Confident	78.8	Confident	48 Å²	48	64 Å²	64	29%	0.291	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.7	164.7	174.5	0	0	0	0	107.7	A621 V622 L643	A621-V633 WeakPolarHBondContact CA-O 3.33Å; V622-V633 PolarHBondContact N-O 2.87Å; V622-V633 PolarHBondContact O-N 3.18Å; V633-L643 HydrophobicContact CG2-CB 4.44Å; V633-L643 HydrophobicContact CG2-CD1 4.01Å
634	E	85.6	Confident	78.5	Confident	127 Å²	127	66.7 Å²	66.7	59%	0.593	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	136.6	174.3	-71.4	168.9	-159.5	0	0	109.4	R632	R632-E634 IonicContact CZ-OE1 3.64Å; R632-E634 IonicContact NE-OE1 2.63Å; R632-E634 PolarHBondContact NE-OE1 2.83Å; R632-E634 IonicContact NH2-OE1 2.71Å; R632-E634 PolarHBondContact NH2-OE1 3.44Å
635	V	82.1	Confident	78.3	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.9	-173.7	-168.1	0	0	0	0	108.4	F618 T619 G620 V622 A641	F618-V635 HydrophobicContact CD1-CG1 4.23Å; F618-V635 HydrophobicContact CD2-CB 4.36Å; F618-V635 HydrophobicContact CD2-CG1 4.29Å; F618-V635 HydrophobicContact CE1-CG1 3.93Å; F618-V635 HydrophobicContact CE2-CB 3.91Å; F618-V635 HydrophobicContact CE2-CG1 3.99Å; F618-V635 HydrophobicContact CE2-CG2 3.91Å; F618-V635 HydrophobicContact CG-CG1 4.42Å; F618-V635 HydrophobicContact CZ-CB 4.11Å; F618-V635 HydrophobicContact CZ-CG1 3.81Å; F618-V635 HydrophobicContact CZ-CG2 3.88Å; T619-V635 CarbonylContact C-O 3.26Å; T619-V635 WeakPolarHBondContact CA-O 3.43Å; G620-V635 PolarHBondContact N-O 3.18Å; G620-V635 PolarHBondContact O-N 3.19Å; V622-V635 HydrophobicContact CG2-CG2 3.96Å; V635-A641 HydrophobicContact CG1-CB 4.36Å; V635-A641 HydrophobicContact CG2-CB 3.52Å
636	K	80.2	Confident	77.8	Confident	180 Å²	180	63.3 Å²	63.3	78%	0.783	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	118.7	-178.9	-174.5	-178.2	-179.2	-177.6	0	110	T619 S638	T619-K636 HydrophobicContact CG2-CG 4.35Å; K636-S638 PolarHBondContact O-N 3.32Å
637	D	76.9	Confident	77.1	Confident	117 Å²	117	57.9 Å²	57.9	63%	0.626	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	43.9	45.8	-177.4	-164.6	23.3	0	0	0	112.9	P617 F618 T619	P617-D637 WeakPolarHBondContact CB-OD1 3.48Å; F618-D637 PolarHBondContact O-N 3.07Å; F618-D637 VanDerWaalsContact O-N 3.15Å; T619-D637 PolarHBondContact OG1-N 2.85Å; T619-D637 VanDerWaalsContact OG1-N 3.1Å
638	S	75.3	Confident	76	Confident	22 Å²	22	56.5 Å²	56.5	15%	0.154	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.3	178.7	-176.3	0	0	0	0	109.6	F618 K636 T640	F618-S638 WeakPolarHBondContact CD1-O 3.25Å; F618-S638 PolarHBondContact N-O 3.47Å; F618-S638 PolarHBondContact O-N 3.18Å; K636-S638 PolarHBondContact O-N 3.32Å; S638-T640 VanDerWaalsContact C-N 3.33Å; S638-T640 PolarHBondContact OG-N 3.02Å; S638-T640 VanDerWaalsContact OG-N 3.13Å; S638-T640 PolarHBondContact OG-O 3.34Å
639	N	74.1	Confident	74	Confident	8 Å²	8	61.9 Å²	61.9	4%	0.043	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	2.5	171.5	58.1	1.9	0	0	0	112.6	V522 T613 K614	V522-N639 WeakPolarHBondContact CG2-ND2 3.46Å; T613-N639 CarbonylContact C-O 3.59Å; T613-N639 WeakPolarHBondContact CA-O 3.44Å; K614-N639 PolarHBondContact N-O 2.69Å; K614-N639 WeakPolarHBondContact O-CB 3.32Å
640	T	70	Confident	72.4	Confident	53 Å²	53	59.5 Å²	59.5	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.1	175.5	46.4	0	0	0	0	112.1	V612 T613 S638	V612-T640 VanDerWaalsContact O-CA 3.32Å; V612-T640 WeakPolarHBondContact O-CA 3.04Å; T613-T640 HydrophobicContact CG2-CG2 3.94Å; S638-T640 VanDerWaalsContact C-N 3.33Å; S638-T640 PolarHBondContact OG-N 3.02Å; S638-T640 VanDerWaalsContact OG-N 3.13Å; S638-T640 PolarHBondContact OG-O 3.34Å
641	A	81.6	Confident	70.6	Confident	11 Å²	11	61 Å²	61	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.2	176.5	0	0	0	0	0	110.5	K611 V612 F618 V622 V635	K611-A641 CarbonylContact C-O 3.56Å; K611-A641 WeakPolarHBondContact CA-O 3.34Å; V612-A641 HydrophobicContact CB-CB 4.49Å; V612-A641 PolarHBondContact N-O 2.98Å; V612-A641 PolarHBondContact O-N 2.9Å; F618-A641 HydrophobicContact CZ-CB 4.45Å; V622-A641 HydrophobicContact CG2-CB 3.86Å; V635-A641 HydrophobicContact CG1-CB 4.36Å; V635-A641 HydrophobicContact CG2-CB 3.52Å
642	M	81.3	Confident	68.6	Low	89 Å²	89	68.1 Å²	68.1	44%	0.438	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	108.8	-177.3	-176.2	167	56.1	0	0	112	V610	V610-M642 CarbonylContact O-C 3.57Å; V610-M642 WeakPolarHBondContact O-CA 3.5Å
643	L	85.1	Confident	65.8	Low	3 Å²	3	71.9 Å²	71.9	2%	0.016	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.3	178.6	178.3	64.7	0	0	0	110.6	K609 V610 V622 V624 V633 L645 V767	K609-L643 CarbonylContact C-O 3.58Å; K609-L643 WeakPolarHBondContact CA-O 3.23Å; V610-L643 HydrophobicContact CB-CB 4.43Å; V610-L643 PolarHBondContact N-O 3.18Å; V610-L643 PolarHBondContact O-N 3.31Å; V622-L643 HydrophobicContact CG1-CB 4.12Å; V622-L643 HydrophobicContact CG1-CD2 4.16Å; V624-L643 HydrophobicContact CG2-CD2 4.11Å; V633-L643 HydrophobicContact CG2-CB 4.44Å; V633-L643 HydrophobicContact CG2-CD1 4.01Å; L643-L645 HydrophobicContact CD1-CD2 4.48Å; L643-L645 HydrophobicContact CD2-CD2 4.04Å; L643-L645 HydrophobicContact CG-CD2 3.9Å; L643-L645 HydrophobicContact CG-CG 4.48Å; L643-V767 HydrophobicContact CD2-CG1 3.73Å; L643-V767 HydrophobicContact CD2-CG2 3.95Å
644	H	81.1	Confident	63.1	Low	61 Å²	61	75.6 Å²	75.6	28%	0.282	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.1	-177.8	-75.3	-122.1	0	0	0	111.5	I732	H644-I732 HydrophobicContact CB-CD1 4.1Å
645	L	78.2	Confident	60.6	Low	2 Å²	2	77.2 Å²	77.2	1%	0.01	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	73	-175.8	-50	177.9	0	0	0	110	M608 V610 V624 C631 L643 Y763 A765	M608-L645 HydrophobicContact CB-CB 4.24Å; M608-L645 HydrophobicContact CE-CD1 3.57Å; M608-L645 HydrophobicContact CG-CD1 4.35Å; M608-L645 PolarHBondContact N-O 2.63Å; M608-L645 CarbonylContact O-C 3.5Å; M608-L645 VanDerWaalsContact O-CA 3.31Å; M608-L645 WeakPolarHBondContact O-CA 3.24Å; M608-L645 VanDerWaalsContact O-CB 3.24Å; M608-L645 WeakPolarHBondContact O-CB 3.1Å; M608-L645 PolarHBondContact O-N 2.68Å; V610-L645 HydrophobicContact CG2-CD1 3.69Å; V610-L645 HydrophobicContact CG2-CG 4.34Å; V624-L645 HydrophobicContact CG2-CD1 4.41Å; V624-L645 HydrophobicContact CG2-CD2 3.45Å; V624-L645 VanDerWaalsContact CG2-CD2 3.45Å; C631-L645 WeakPolarHBondContact SG-CD2 3.47Å; L643-L645 HydrophobicContact CD1-CD2 4.48Å; L643-L645 HydrophobicContact CD2-CD2 4.04Å; L643-L645 HydrophobicContact CG-CD2 3.9Å; L643-L645 HydrophobicContact CG-CG 4.48Å; L645-Y763 HydrophobicContact CB-CE1 4.2Å; L645-Y763 WeakPolarHBondContact O-CE1 3.39Å; L645-Y763 PolarHBondContact O-OH 3.18Å; L645-A765 HydrophobicContact CD1-CB 3.86Å
646	G	67.5	Low	58.2	Low	26 Å²	26	86.2 Å²	86.2	27%	0.268	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	153.5	179.1	0	0	0	0	0	113.4	D606 Y763	D606-G646 WeakPolarHBondContact O-CA 3.44Å; G646-Y763 PolarHBondContact O-OH 3.26Å; G646-Y763 VanDerWaalsContact O-OH 3.11Å
647	F	59.1	Low	55.9	Low	65 Å²	65	84.8 Å²	84.8	29%	0.285	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-64	142.8	173.2	-69.9	-67.9	0	0	0	111.9	F605 D606 L649 Y793	F605-F647 WeakPolarHBondContact O-CE2 3.36Å; D606-F647 PolarHBondContact O-N 2.98Å; F647-L649 PolarHBondContact O-N 3.05Å; F647-Y793 AromaticContact CE1-CD2 3.82Å; F647-Y793 HydrophobicContact CE1-CD2 3.82Å; F647-Y793 AromaticContact CE1-CE2 3.7Å; F647-Y793 HydrophobicContact CE1-CE2 3.7Å; F647-Y793 HydrophobicContact CE1-CG 4.33Å; F647-Y793 AromaticContact CZ-CD1 3.96Å; F647-Y793 HydrophobicContact CZ-CD1 3.96Å; F647-Y793 AromaticContact CZ-CD2 3.83Å; F647-Y793 HydrophobicContact CZ-CD2 3.83Å; F647-Y793 AromaticContact CZ-CE1 3.73Å; F647-Y793 HydrophobicContact CZ-CE1 3.73Å; F647-Y793 AromaticContact CZ-CE2 3.57Å; F647-Y793 HydrophobicContact CZ-CE2 3.57Å; F647-Y793 HydrophobicContact CZ-CG 4Å; F647-Y793 AromaticContact CZ-CZ 3.52Å
648	P	49.6	Very low	54	Low	24 Å²	24	84.7 Å²	84.7	16%	0.156	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-66.1	121.8	176.5	26.8	-33.4	0	0	0	111.2	D734 V738 F756	P648-D734 WeakPolarHBondContact CA-OD1 3.27Å; P648-V738 HydrophobicContact CB-CG2 3.8Å; P648-V738 HydrophobicContact CG-CG2 4.4Å; P648-F756 HydrophobicContact CG-CB 4.24Å
649	L	38.6	Very low	52.2	Low	140 Å²	140	92.1 Å²	92.1	73%	0.733	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-84.1	121.7	-179.9	-75.3	176.3	0	0	0	111.3	F647 S651 D734	F647-L649 PolarHBondContact O-N 3.05Å; L649-S651 PolarHBondContact O-N 3.39Å; L649-S651 VanDerWaalsContact O-N 3.1Å; L649-D734 PolarHBondContact N-OD1 2.97Å; L649-D734 VanDerWaalsContact N-OD1 3.15Å
650	S	36.2	Very low	50.6	Low	86 Å²	86	97.7 Å²	97.7	60%	0.601	53%	0.532	S	S	*	.			trans	-68.1	108.1	175.6	58.5	0	0	0	0	111.2	I652	S650-I652 VanDerWaalsContact C-N 3.32Å; S650-I652 PolarHBondContact O-N 3.47Å
651	S	31	Very low	48.9	Very low	119 Å²	119	101.1 Å²	101.1	83%	0.832	56%	0.557	S	S	*	*			trans	-78.2	67.5	-173.1	47.5	0	0	0	0	114.1	L649	L649-S651 PolarHBondContact O-N 3.39Å; L649-S651 VanDerWaalsContact O-N 3.1Å
652	I	34.2	Very low	46.8	Very low	153 Å²	153	106.8 Å²	106.8	79%	0.785	59%	0.593	S	S	*	*			trans	-119.4	80.6	172.9	-51.6	-178.1	0	0	0	110.2	S650	S650-I652 VanDerWaalsContact C-N 3.32Å; S650-I652 PolarHBondContact O-N 3.47Å
653	E	29	Very low	44.8	Very low	167 Å²	167	106.2 Å²	106.2	78%	0.78	61%	0.61	S	S	*	*			trans	148.9	107.7	147.1	-84.2	-169.8	165.3	0	0	111.9	H655	E653-H655 PolarHBondContact O-N 2.89Å
654	P	28.4	Very low	42.4	Very low	125 Å²	125	109.7 Å²	109.7	81%	0.812	65%	0.647	S	S	*	*			trans	-92.9	74.1	-174.1	36.3	-35.2	0	0	0	112.9
655	H	34	Very low	40.4	Very low	162 Å²	162	111.6 Å²	111.6	75%	0.75	67%	0.673	S	S	*	*			trans	-126.3	112.2	-177.9	-77.5	-18.4	0	0	0	116.5	E653	E653-H655 PolarHBondContact O-N 2.89Å
656	K	30.8	Very low	38.4	Very low	198 Å²	198	118 Å²	118	86%	0.861	72%	0.716	S	S	*	*			trans	58.5	90.2	157.5	-65.2	-175.5	177.1	179	0	118.6
657	I	31	Very low	36.9	Very low	149 Å²	149	126 Å²	126	76%	0.764	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-101.4	118.6	136.3	-59.9	175.4	0	0	0	106.8
658	P	37.3	Very low	35.7	Very low	115 Å²	115	127 Å²	127	75%	0.747	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-67.3	145	176.2	-20.7	33.6	0	0	0	112.6
659	Q	38.6	Very low	35	Very low	179 Å²	179	133 Å²	133	84%	0.836	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70	149.5	171.9	-69.4	174.5	-73.3	0	0	111.4
660	P	40.3	Very low	35	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.8	126.3	173.9	30.3	-33.6	0	0	0	111.1	P662	P660-P662 WeakPolarHBondContact O-CD 3.38Å
661	C	33.4	Very low	34.9	Very low	126 Å²	126	140.5 Å²	140.5	85%	0.851	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.7	125.4	172.2	-61.6	0	0	0	0	110.8
662	P	38.7	Very low	35.3	Very low	129 Å²	129	141.7 Å²	141.7	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86	118.5	173.6	32.3	-30.9	0	0	0	111.5	P660	P660-P662 WeakPolarHBondContact O-CD 3.38Å
663	G	38.7	Very low	35.4	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	81%	0.814	S	S	*	*	S	Bend	trans	97.6	120.1	163.3	0	0	0	0	0	116.5
664	G	34.8	Very low	35.5	Very low	77 Å²	77	147.2 Å²	147.2	79%	0.794	82%	0.819	S	S	*	*	S	Bend	trans	85.7	121.8	158.1	0	0	0	0	0	117.2
665	A	38.8	Very low	35.9	Very low	101 Å²	101	150.4 Å²	150.4	84%	0.835	82%	0.823	S	S	*	*			trans	55.6	96.2	159.7	0	0	0	0	0	118.9
666	C	36.1	Very low	35.8	Very low	136 Å²	136	147 Å²	147	92%	0.919	82%	0.823	S	S	*	*				-168.4	94.2	126.3	-98.3	0	0	0	0	110.5
667	E	36.5	Very low	35.8	Very low	194 Å²	194	148.4 Å²	148.4	91%	0.907	83%	0.825	S	S	*	*			trans	-95.3	168.8	158.9	-72.8	-176.5	102	0	0	110.1
668	A	34	Very low	36.1	Very low	86 Å²	86	149.5 Å²	149.5	71%	0.711	83%	0.827	S	S	*	*			trans	77.3	145.8	-179.8	0	0	0	0	0	117.4
669	N	34.7	Very low	36	Very low	149 Å²	149	152.4 Å²	152.4	80%	0.797	83%	0.83	S	S	*	*			trans	68.3	126.5	-173.7	-50.4	-64.1	0	0	0	114.4
670	L	38.7	Very low	35.8	Very low	139 Å²	139	148.1 Å²	148.1	73%	0.728	83%	0.826	S	S	*	*			cis	-144.8	152.7	-9.3	-76.3	127.7	0	0	0	104.8
671	R	33	Very low	35.6	Very low	245 Å²	245	147.4 Å²	147.4	93%	0.925	82%	0.824	S	S	*	*			cis	53.1	51.7	17.7	-85.1	-161.9	179.6	-172.6	2	115.5
672	D	40.6	Very low	35.8	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	82%	0.82	S	S	*	*			trans	-160.6	165	135.9	-112.2	-31.9	0	0	0	112.6
673	K	35.6	Very low	35.7	Very low	197 Å²	197	150.8 Å²	150.8	86%	0.857	82%	0.82	S	S	*	*			trans	81.8	59.5	-174.5	-57.3	-176	177.5	179.5	0	117.3
674	R	31.9	Very low	35.6	Very low	239 Å²	239	153.1 Å²	153.1	90%	0.902	82%	0.819	S	S	*	*				-81	167.4	123	-75.4	-177.4	174.7	178.7	-2.4	108.2
675	Q	36.2	Very low	35.7	Very low	191 Å²	191	154.1 Å²	154.1	89%	0.893	81%	0.814	S	S	*	*			trans	78.6	144.9	-175.3	-54.2	177.4	-28.4	0	0	115
676	A	32.7	Very low	35.7	Very low	91 Å²	91	155 Å²	155	75%	0.752	81%	0.813	S	S	*	*			trans	56.1	120.2	-158.9	0	0	0	0	0	113.6
677	Y	30	Very low	36.3	Very low	227 Å²	227	154.5 Å²	154.5	89%	0.89	81%	0.809	S	S	*	*			cis	-106.9	119.5	15.3	-78.9	-106.2	0	0	0	113.5
678	Q	37.6	Very low	36.6	Very low	173 Å²	173	150 Å²	150	81%	0.808	80%	0.804	S	S	*	*			trans	-111.6	154.4	143.1	-82.8	-177.6	-40.5	0	0	106.7
679	Q	35.7	Very low	37.4	Very low	175 Å²	175	151.8 Å²	151.8	82%	0.818	81%	0.809	S	S	*	*			trans	62.9	161	175.1	-58.5	166.7	-3.6	0	0	115.2
680	A	34.6	Very low	38.2	Very low	90 Å²	90	149.7 Å²	149.7	74%	0.744	80%	0.803	S	S	*	*			cis	-166.6	159.3	-39.9	0	0	0	0	0	107.1	S682	A680-S682 PolarHBondContact O-N 3.33Å
681	S	35.8	Very low	38.7	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	81%	0.807	S	S	*	*			trans	-56.2	123	172.5	156.4	0	0	0	0	113.2
682	S	37.4	Very low	39.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	80%	0.796	S	S	*	*				-171.7	134.8	126.8	28.9	0	0	0	0	115.6	A680	A680-S682 PolarHBondContact O-N 3.33Å
683	Y	35.5	Very low	39.5	Very low	215 Å²	215	142.7 Å²	142.7	84%	0.843	80%	0.801	S	S	*	*			trans	-4.8	146.9	153.9	-73.6	-84	0	0	0	124
684	V	38	Very low	39.6	Very low	126 Å²	126	137.1 Å²	137.1	76%	0.764	80%	0.799	S	S	*	*			trans	91.6	94.3	144.6	172.2	0	0	0	0	120.9
685	S	37.2	Very low	40	Very low	99 Å²	99	129.7 Å²	129.7	69%	0.692	79%	0.789	S	S	*	*			trans	44.3	130	137.5	72	0	0	0	0	125.9
686	S	38.7	Very low	40	Very low	118 Å²	118	132 Å²	132	83%	0.825	79%	0.791	S	S	*	*			trans	84.4	154.9	136	-66.5	0	0	0	0	121.5
687	P	47.6	Very low	40.1	Very low	126 Å²	126	131.3 Å²	131.3	82%	0.818	79%	0.793	S	S	*	*			trans	-133.1	160.5	-147.6	41.7	-25.2	0	0	0	118.7
688	A	43.4	Very low	40.6	Very low	99 Å²	99	130 Å²	130	82%	0.818	80%	0.795	S	S	*	*			trans	-162.5	158.7	153.6	0	0	0	0	0	113.7
689	P	49.8	Very low	40.8	Very low	124 Å²	124	126.9 Å²	126.9	81%	0.805	79%	0.79	S	S	*	*			trans	-134.7	-148.1	-170.8	40.4	-18.1	0	0	0	113.7
690	P	53.1	Low	40.9	Very low	105 Å²	105	124.5 Å²	124.5	68%	0.682	79%	0.793	S	S	*	*				-130.9	-154.9	-55.7	30.4	-8	0	0	0	115.6
691	V	48.8	Very low	41.3	Very low	134 Å²	134	126.1 Å²	126.1	81%	0.812	80%	0.796	S	S	*	*			trans	94.6	153.7	150	-79.1	0	0	0	0	123.4
692	P	46.9	Very low	41.3	Very low	106 Å²	106	125.3 Å²	125.3	69%	0.688	80%	0.795	S	S	*	*			trans	-142.8	-158.2	-138.9	47.1	-25.9	0	0	0	117.5
693	T	42.5	Very low	41.1	Very low	142 Å²	142	125.5 Å²	125.5	87%	0.871	79%	0.792	S	S	*	*				152.3	142.8	129.9	45.9	0	0	0	0	118.9
694	G	38.6	Very low	41.1	Very low	80 Å²	80	123.6 Å²	123.6	83%	0.825	79%	0.791	S	S	*	*			trans	93.4	159	143.3	0	0	0	0	0	122.2
695	A	39.3	Very low	40.9	Very low	84 Å²	84	122.6 Å²	122.6	69%	0.694	79%	0.785	S	S	*	*			cis	-171.4	151.9	-24.9	0	0	0	0	0	116
696	Y	36.6	Very low	40.7	Very low	239 Å²	239	126.2 Å²	126.2	94%	0.937	79%	0.791	S	S	*	*			trans	58.2	143.2	153.4	-61.7	-63.5	0	0	0	126.6
697	G	35.8	Very low	40.5	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	79%	0.788	S	S	*	*			trans	157.8	140.3	157.6	0	0	0	0	0	117.4
698	Q	41	Very low	39.9	Very low	198 Å²	198	123.5 Å²	123.5	93%	0.925	78%	0.78	S	S	*	*			trans	-134	177.5	-150.6	-95.9	-170.2	-93.1	0	0	117.2
699	P	40	Very low	39.3	Very low	109 Å²	109	129.8 Å²	129.8	71%	0.708	78%	0.784	S	S	*	*			trans	-120.5	175.7	-163.6	44.1	-35.1	0	0	0	117.8
700	S	38.6	Very low	38.5	Very low	125 Å²	125	128.3 Å²	128.3	87%	0.874	78%	0.782	S	S	*	*			trans	-178.5	169.2	149.3	-104.5	0	0	0	0	115.5
701	P	42.6	Very low	37.4	Very low	123 Å²	123	128.7 Å²	128.7	80%	0.799	79%	0.794	S	S	*	*			trans	-126.7	-154	-159	46.3	-33.2	0	0	0	117
702	A	36.2	Very low	36.6	Very low	92 Å²	92	126.2 Å²	126.2	76%	0.76	80%	0.796	S	S	*	*			trans	99.9	150.3	167.7	0	0	0	0	0	117.4
703	T	33.9	Very low	35.8	Very low	114 Å²	114	131 Å²	131	70%	0.699	81%	0.806	S	S	*	*			cis	-173.7	144.9	-12.8	-100.2	0	0	0	0	114.6
704	Q	33.9	Very low	35.4	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	80%	0.798	S	S	*	*			trans	80.6	147.1	149.8	-92.5	167.8	27.8	0	0	128.5
705	V	34.9	Very low	34.8	Very low	104 Å²	104	134.6 Å²	134.6	63%	0.63	80%	0.801	S	S	*	*			trans	98.7	110.1	137	157.5	0	0	0	0	123.3
706	Q	33.5	Very low	34.4	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	81%	0.805	S	S	*	*			trans	47	155.1	134.1	-56.1	170.3	-3.3	0	0	121.1
707	S	34.1	Very low	34	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	79%	0.794	S	S	*	*			cis	178.3	162.5	-9.9	50.3	0	0	0	0	108.5
708	A	33.8	Very low	33.7	Very low	78 Å²	78	137 Å²	137	65%	0.645	79%	0.791	S	S	*	*			cis	-174.1	-172	-17.9	0	0	0	0	0	109.9
709	Y	31.7	Very low	33.1	Very low	231 Å²	231	137.3 Å²	137.3	91%	0.906	79%	0.789	S	S	*	*			trans	84.4	118	165	-64.1	-73.9	0	0	0	123.4
710	A	31.9	Very low	32.6	Very low	94 Å²	94	135.7 Å²	135.7	78%	0.777	79%	0.793	S	S	*	*			trans	86.9	105.6	131.4	0	0	0	0	0	124.1
711	A	31.8	Very low	32.4	Very low	112 Å²	112	135 Å²	135	93%	0.926	79%	0.785	S	S	*	*			trans	70.1	129.1	135.8	0	0	0	0	0	122.5
712	G	32.1	Very low	31.9	Very low	83 Å²	83	136.9 Å²	136.9	86%	0.856	78%	0.783	S	S	*	*			trans	146.6	88.7	166.8	0	0	0	0	0	115.2
713	K	29.6	Very low	31.5	Very low	205 Å²	205	141.7 Å²	141.7	89%	0.891	79%	0.787	S	S	*	*			trans	-95.2	173.2	173.8	-99.4	-169	176.2	-177.4	0	110.8
714	P	33.8	Very low	31.5	Very low	108 Å²	108	144 Å²	144	70%	0.701	79%	0.794	S	S	*	*			cis	-139.4	160.2	-34.4	37.5	-21.8	0	0	0	114.3
715	E	26.5	Very low	31.3	Very low	190 Å²	190	142.5 Å²	142.5	89%	0.888	79%	0.791	S	S	*	*			trans	-179.9	-170.5	135.9	-108	-163.9	144.8	0	0	112.6
716	V	29.8	Very low	31.1	Very low	131 Å²	131	142.7 Å²	142.7	79%	0.794	79%	0.794	S	S	*	*			trans	90.5	87	172.8	-168.6	0	0	0	0	117.9
717	H	29.4	Very low	31	Very low	152 Å²	152	139.7 Å²	139.7	70%	0.704	79%	0.79	S	S	*	*				47.1	127.5	123.6	-83.8	-30.1	0	0	0	124.9
718	K	29.4	Very low	30.9	Very low	169 Å²	169	139.9 Å²	139.9	74%	0.735	79%	0.789	S	S	*	*				99.2	140.2	121	-81.2	170.7	-179.7	164.3	0	122.2
719	K	28.6	Very low	30.7	Very low	203 Å²	203	142.4 Å²	142.4	88%	0.883	80%	0.796	S	S	*	*			trans	86.7	73.9	155.1	-73.3	179.8	174.4	-175.7	0	122
720	G	27.9	Very low	30.7	Very low	76 Å²	76	138.5 Å²	138.5	78%	0.784	79%	0.79	S	S	*	*			trans	49.4	-159.6	132.8	0	0	0	0	0	120.7
721	P	35.1	Very low	30.7	Very low	110 Å²	110	138.2 Å²	138.2	71%	0.714	78%	0.781	S	S	*	*			cis	-116.3	-134	-16.3	42.1	-29.7	0	0	0	112.3
722	H	31.2	Very low	30.8	Very low	163 Å²	163	138.6 Å²	138.6	76%	0.755	77%	0.766	S	S	*	*			trans	78.5	121.8	-178.5	-51.7	-84.7	0	0	0	115.6
723	K	28.8	Very low	31	Very low	193 Å²	193	143.4 Å²	143.4	84%	0.839	76%	0.758	S	S	*	*				82.1	90.3	51.9	-85.9	-159.9	171.7	-172.6	0	115.2
724	L	33.8	Very low	31.8	Very low	163 Å²	163	137.3 Å²	137.3	85%	0.853	74%	0.735	S	S	*	*			trans	-142.4	83.9	146.6	-76.8	175	0	0	0	106.4
725	L	28.8	Very low	32.7	Very low	144 Å²	144	132.7 Å²	132.7	75%	0.754	71%	0.705	S	S	*	*				66.3	113.6	103.5	-75.7	171.7	0	0	0	113.3
726	P	31.9	Very low	33.5	Very low	107 Å²	107	125.4 Å²	125.4	70%	0.695	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-60.5	152.8	156.5	30.1	-34.1	0	0	0	109
727	P	31.2	Very low	34.4	Very low	113 Å²	113	122.3 Å²	122.3	73%	0.734	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-55.5	142.1	168	27.4	-34.4	0	0	0	108.5	T729	P727-T729 PolarHBondContact O-N 2.84Å; P727-T729 VanDerWaalsContact O-N 3.12Å
728	P	31.6	Very low	34.8	Very low	113 Å²	113	117.6 Å²	117.6	73%	0.734	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-61.5	123.4	-170.6	24.7	-33.7	0	0	0	109.9	L730	P728-L730 PolarHBondContact O-N 2.76Å
729	T	30.3	Very low	35.1	Very low	131 Å²	131	116.6 Å²	116.6	80%	0.804	64%	0.639	S	S	*	*			trans	-51.8	115.8	146.9	35.8	0	0	0	0	106	P727 P731	P727-T729 PolarHBondContact O-N 2.84Å; P727-T729 VanDerWaalsContact O-N 3.12Å; T729-P731 VanDerWaalsContact O-N 3.12Å
730	L	30.3	Very low	35.2	Very low	148 Å²	148	114.9 Å²	114.9	78%	0.775	63%	0.632	S	S	*	*			trans	-49.9	124.7	176.1	-84.5	163.3	0	0	0	107	P728 I732	P728-L730 PolarHBondContact O-N 2.76Å; L730-I732 PolarHBondContact O-N 3.4Å
731	P	32	Very low	35.3	Very low	89 Å²	89	117.1 Å²	117.1	58%	0.578	63%	0.631	S	S	*	*			trans	-60.4	114.4	-171.8	23.5	-33	0	0	0	107.5	T729 R733	T729-P731 VanDerWaalsContact O-N 3.12Å; P731-R733 VanDerWaalsContact C-N 3.33Å; P731-R733 WeakPolarHBondContact O-CB 3Å; P731-R733 WeakPolarHBondContact O-CG 3.43Å; P731-R733 PolarHBondContact O-N 3.13Å
732	I	33.8	Very low	35	Very low	119 Å²	119	116.3 Å²	116.3	61%	0.61	63%	0.628	S	S	*	*			trans	-62.1	96.5	-170.5	-58.4	169.8	0	0	0	107.8	H644 L730	H644-I732 HydrophobicContact CB-CD1 4.1Å; L730-I732 PolarHBondContact O-N 3.4Å
733	R	37.1	Very low	35.1	Very low	185 Å²	185	116.2 Å²	116.2	70%	0.698	63%	0.632	S	S	*	*			trans	-133.2	105.6	-172.4	-78.9	-176.7	169.1	-148.8	-4.5	107.1	P731	P731-R733 VanDerWaalsContact C-N 3.33Å; P731-R733 WeakPolarHBondContact O-CB 3Å; P731-R733 WeakPolarHBondContact O-CG 3.43Å; P731-R733 PolarHBondContact O-N 3.13Å
734	D	45.8	Very low	35.3	Very low	77 Å²	77	116.1 Å²	116.1	41%	0.412	63%	0.632	S	S	.	*			trans	46.4	105	176.1	-59.1	-55.1	0	0	0	115.2	P648 L649 G736	P648-D734 WeakPolarHBondContact CA-OD1 3.27Å; L649-D734 PolarHBondContact N-OD1 2.97Å; L649-D734 VanDerWaalsContact N-OD1 3.15Å; D734-G736 PolarHBondContact O-N 2.67Å
735	C	52.5	Low	35.5	Very low	11 Å²	11	113.2 Å²	113.2	7%	0.074	62%	0.622	C	S	.	*			trans	-62.3	9.9	153.4	-68.9	0	0	0	0	112.7	K627 C631 L737	K627-C735 WeakPolarHBondContact CD-O 3.27Å; K627-C735 VanDerWaalsContact CE-O 3.25Å; K627-C735 WeakPolarHBondContact CE-O 3.43Å; K627-C735 PolarHBondContact NZ-O 2.89Å; C631-C735 HydrophobicContact CB-CB 3.69Å; C631-C735 WeakPolarHBondContact CB-SG 3.17Å; C631-C735 WeakPolarHBondContact SG-CB 3.35Å; C631-C735 CovalentContact SG-SG 2.04Å; C631-C735 PolarHBondContact SG-SG 3.44Å; C735-L737 PolarHBondContact O-N 2.86Å
736	G	43.6	Very low	35.9	Very low	36 Å²	36	112.3 Å²	112.3	37%	0.371	62%	0.623	S	S	.	*			trans	66.5	37.9	164.3	0	0	0	0	0	114	K627 D734 V738	K627-G736 VanDerWaalsContact NZ-C 3.3Å; K627-G736 PolarHBondContact NZ-O 2.85Å; D734-G736 PolarHBondContact O-N 2.67Å; G736-V738 PolarHBondContact O-N 2.91Å
737	L	48.7	Very low	36.2	Very low	67 Å²	67	114.1 Å²	114.1	35%	0.351	63%	0.632	S	S	.	*			trans	-83.9	55.2	-177.5	-75.3	163.7	0	0	0	111.8	C735 Y763	C735-L737 PolarHBondContact O-N 2.86Å; L737-Y763 HydrophobicContact CD1-CE2 3.79Å; L737-Y763 WeakPolarHBondContact CD1-OH 3.03Å
738	V	39.3	Very low	36.4	Very low	53 Å²	53	120.4 Å²	120.4	32%	0.321	64%	0.641	S	S	.	*			trans	-138	110.5	172.7	-167.7	0	0	0	0	110.3	P648 G736 F740 F756	P648-V738 HydrophobicContact CB-CG2 3.8Å; P648-V738 HydrophobicContact CG-CG2 4.4Å; G736-V738 PolarHBondContact O-N 2.91Å; V738-F740 HydrophobicContact CB-CD2 4.29Å; V738-F740 HydrophobicContact CB-CE2 4.33Å; V738-F740 HydrophobicContact CG1-CD2 3.53Å; V738-F740 HydrophobicContact CG1-CE2 3.58Å; V738-F740 HydrophobicContact CG1-CG 4.21Å; V738-F740 HydrophobicContact CG1-CZ 4.3Å; V738-F756 HydrophobicContact CG1-CD1 4.46Å; V738-F756 HydrophobicContact CG1-CE1 3.95Å; V738-F756 HydrophobicContact CG2-CD1 4.25Å; V738-F756 HydrophobicContact CG2-CE1 4.22Å
739	E	34	Very low	36.5	Very low	148 Å²	148	121.6 Å²	121.6	69%	0.692	65%	0.647	S	S	*	*			trans	-84.4	106.1	159.1	-73.4	174.2	114.9	0	0	108.2	V741 K758	E739-V741 PolarHBondContact O-N 3.44Å; E739-V741 VanDerWaalsContact O-N 3.09Å; E739-K758 IonicContact OE2-NZ 2.62Å; E739-K758 PolarHBondContact OE2-NZ 3.24Å
740	F	31.1	Very low	36.5	Very low	166 Å²	166	124.2 Å²	124.2	73%	0.728	65%	0.647	S	S	*	*			trans	-77.1	91.7	174	-94.6	-82.9	0	0	0	110.8	V738 S742	V738-F740 HydrophobicContact CB-CD2 4.29Å; V738-F740 HydrophobicContact CB-CE2 4.33Å; V738-F740 HydrophobicContact CG1-CD2 3.53Å; V738-F740 HydrophobicContact CG1-CE2 3.58Å; V738-F740 HydrophobicContact CG1-CG 4.21Å; V738-F740 HydrophobicContact CG1-CZ 4.3Å; F740-S742 PolarHBondContact O-N 2.87Å
741	V	31.5	Very low	36.7	Very low	124 Å²	124	122.5 Å²	122.5	75%	0.752	65%	0.648	S	S	*	*			trans	-82.7	99.8	164.4	-177.9	0	0	0	0	108.5	E739 L743	E739-V741 PolarHBondContact O-N 3.44Å; E739-V741 VanDerWaalsContact O-N 3.09Å; V741-L743 PolarHBondContact O-N 3.49Å
742	S	28.8	Very low	36.7	Very low	93 Å²	93	125.7 Å²	125.7	65%	0.65	66%	0.658	S	S	*	*			trans	-85.5	106.3	-175.8	45.4	0	0	0	0	112.6	F740	F740-S742 PolarHBondContact O-N 2.87Å
743	L	31.7	Very low	36.7	Very low	161 Å²	161	126.5 Å²	126.5	84%	0.843	66%	0.657	S	S	*	*			trans	-123	94.3	169.1	-75.3	171.3	0	0	0	110.9	V741	V741-L743 PolarHBondContact O-N 3.49Å
744	F	33.8	Very low	36.7	Very low	190 Å²	190	124.7 Å²	124.7	83%	0.833	66%	0.661	S	S	*	*			trans	-79.1	163.7	164.3	-72.2	-90.9	0	0	0	110.3
745	P	37	Very low	36.3	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	68%	0.681	S	S	*	*				-137	174.8	-50.2	38.3	-23.4	0	0	0	111.3
746	T	38.6	Very low	35.8	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	70%	0.699	S	S	*	*			trans	168.9	159	131.4	32.8	0	0	0	0	113.3
747	T	38.7	Very low	36	Very low	145 Å²	145	134.7 Å²	134.7	89%	0.89	69%	0.691	S	S	*	*			trans	66.8	148.5	173.2	61	0	0	0	0	117.6
748	R	33.8	Very low	35.8	Very low	245 Å²	245	138.9 Å²	138.9	93%	0.925	71%	0.707	S	S	*	*			trans	-98.3	130.8	-166	-59.6	168.2	175.3	168.6	-4.3	111.3
749	T	34.5	Very low	36.3	Very low	138 Å²	138	142.7 Å²	142.7	85%	0.847	73%	0.725	S	S	*	*			trans	-153.3	130.8	139.1	-50.1	0	0	0	0	108
750	F	29.5	Very low	37.3	Very low	186 Å²	186	143.4 Å²	143.4	82%	0.816	73%	0.734	S	S	*	*			trans	-92.3	119.1	178.7	-115.4	-98.2	0	0	0	110	I752	F750-I752 HydrophobicContact CD1-CG1 4.42Å; F750-I752 HydrophobicContact CE1-CD1 4.34Å
751	S	34.4	Very low	38.7	Very low	112 Å²	112	135.8 Å²	135.8	78%	0.783	70%	0.702	S	S	*	*			trans	-153.9	102.4	165	-91.3	0	0	0	0	109.2	K753	S751-K753 PolarHBondContact O-N 3.35Å
752	I	33.3	Very low	40.1	Very low	156 Å²	156	131.6 Å²	131.6	80%	0.8	68%	0.677	S	S	*	*			trans	-80	99.8	180	-58	172.5	0	0	0	108.3	F750	F750-I752 HydrophobicContact CD1-CG1 4.42Å; F750-I752 HydrophobicContact CE1-CD1 4.34Å
753	K	33.2	Very low	42	Very low	136 Å²	136	128 Å²	128	59%	0.591	65%	0.649	S	S	*	*			trans	-119.7	150.1	163.5	-95.8	-169.8	165.6	-169.4	0	109.9	S751 F755	S751-K753 PolarHBondContact O-N 3.35Å; K753-F755 PolarHBondContact O-N 3.13Å
754	L	36.1	Very low	43.9	Very low	148 Å²	148	125.3 Å²	125.3	78%	0.775	63%	0.63	S	S	*	*			trans	-61.1	106.2	-174.3	-75.2	64.3	0	0	0	110.3
755	F	37.3	Very low	45.9	Very low	190 Å²	190	116.6 Å²	116.6	83%	0.833	59%	0.593	S	S	*	*			trans	-93.5	1.8	179.4	-109.4	-82.4	0	0	0	113.9	K753	K753-F755 PolarHBondContact O-N 3.13Å
756	F	43.7	Very low	48	Very low	102 Å²	102	113.7 Å²	113.7	45%	0.447	57%	0.574	S	S	.	*			trans	-96.5	21.5	-170.4	-70.9	-71.9	0	0	0	115.1	P648 V738	P648-F756 HydrophobicContact CG-CB 4.24Å; V738-F756 HydrophobicContact CG1-CD1 4.46Å; V738-F756 HydrophobicContact CG1-CE1 3.95Å; V738-F756 HydrophobicContact CG2-CD1 4.25Å; V738-F756 HydrophobicContact CG2-CE1 4.22Å
757	I	47.2	Very low	50.1	Low	41 Å²	41	107.8 Å²	107.8	21%	0.21	54%	0.538	C	S	.	.			trans	-118.9	108.1	174	-47.7	172.8	0	0	0	109.4	N759 G761 T762	I757-N759 PolarHBondContact O-N 2.9Å; I757-N759 VanDerWaalsContact O-N 3.16Å; I757-G761 VanDerWaalsContact CG2-C 3.42Å; I757-T762 VanDerWaalsContact CG2-C 3.48Å; I757-T762 VanDerWaalsContact CG2-O 3.27Å; I757-T762 WeakPolarHBondContact CG2-O 3.36Å
758	K	43.8	Very low	52.2	Low	155 Å²	155	100.9 Å²	100.9	67%	0.674	50%	0.495	S	S	*	.	S	Bend	trans	-65.3	112.4	170.6	-82.3	-173.6	175.4	-178.9	0	108.3	E739	E739-K758 IonicContact OE2-NZ 2.62Å; E739-K758 PolarHBondContact OE2-NZ 3.24Å
759	N	49.8	Very low	54.7	Low	133 Å²	133	89.2 Å²	89.2	71%	0.711	45%	0.451	S	S	*	.	S	Bend	trans	75.1	96.5	-177.2	-53	-17.1	0	0	0	115	I757 G761 T762	I757-N759 PolarHBondContact O-N 2.9Å; I757-N759 VanDerWaalsContact O-N 3.16Å; N759-G761 PolarHBondContact O-N 2.89Å; N759-T762 PolarHBondContact O-N 3.2Å
760	N	54.5	Low	56.9	Low	164 Å²	164	82.9 Å²	82.9	88%	0.877	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-5.8	151.5	-142.6	45.3	0	0	0	120.2
761	G	61.1	Low	58.9	Low	5 Å²	5	76 Å²	76	5%	0.052	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	136.8	-19.1	-174.6	0	0	0	0	0	113.3	I757 N759 D792 Y793	I757-G761 VanDerWaalsContact CG2-C 3.42Å; N759-G761 PolarHBondContact O-N 2.89Å; G761-D792 VanDerWaalsContact CA-OD1 3.32Å; G761-D792 WeakPolarHBondContact CA-OD1 3.47Å; G761-D792 VanDerWaalsContact O-OD1 3.08Å; G761-Y793 PolarHBondContact O-N 2.89Å
762	T	62.1	Low	60.1	Low	37 Å²	37	71.8 Å²	71.8	23%	0.227	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115	-173.9	-34.3	0	0	0	0	112.5	I757 N759 K764 C791 D792	I757-T762 VanDerWaalsContact CG2-C 3.48Å; I757-T762 VanDerWaalsContact CG2-O 3.27Å; I757-T762 WeakPolarHBondContact CG2-O 3.36Å; N759-T762 PolarHBondContact O-N 3.2Å; T762-K764 HydrophobicContact CG2-CG 4.36Å; T762-C791 WeakPolarHBondContact CA-O 3.21Å; T762-D792 HydrophobicContact CG2-CB 4.49Å; T762-D792 PolarHBondContact N-OD1 2.82Å
763	Y	68.1	Low	61.1	Low	17 Å²	17	71.1 Å²	71.1	7%	0.067	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.2	170.4	-175.7	-131.4	0	0	0	109.3	M608 L645 G646 L737 T790 C791 Y793	M608-Y763 HydrophobicContact CB-CD1 3.84Å; M608-Y763 HydrophobicContact CB-CE1 3.87Å; M608-Y763 HydrophobicContact CE-CD1 3.99Å; M608-Y763 HydrophobicContact CE-CE1 4.23Å; L645-Y763 HydrophobicContact CB-CE1 4.2Å; L645-Y763 WeakPolarHBondContact O-CE1 3.39Å; L645-Y763 PolarHBondContact O-OH 3.18Å; G646-Y763 PolarHBondContact O-OH 3.26Å; G646-Y763 VanDerWaalsContact O-OH 3.11Å; L737-Y763 HydrophobicContact CD1-CE2 3.79Å; L737-Y763 WeakPolarHBondContact CD1-OH 3.03Å; Y763-T790 CarbonylContact O-C 3.59Å; Y763-T790 WeakPolarHBondContact O-CA 3.41Å; Y763-C791 PolarHBondContact N-O 3.42Å; Y763-C791 PolarHBondContact O-N 3.33Å; Y763-Y793 HydrophobicContact CD1-CE2 4.15Å; Y763-Y793 HydrophobicContact CG-CE2 4.36Å
764	K	71.9	Confident	62.2	Low	104 Å²	104	67.8 Å²	67.8	45%	0.452	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.9	-178.6	-62	-146.3	172.2	-149.4	0	111.9	T762 E788 T790	T762-K764 HydrophobicContact CG2-CG 4.36Å; K764-E788 WeakPolarHBondContact CD-OE2 3.31Å; K764-E788 IonicContact NZ-OE2 3.31Å; K764-E788 PolarHBondContact NZ-OE2 2.58Å; K764-T790 HydrophobicContact CB-CG2 4.17Å; K764-T790 HydrophobicContact CD-CG2 3.55Å; K764-T790 HydrophobicContact CG-CG2 3.59Å
765	A	74.5	Confident	63.1	Low	7 Å²	7	63.4 Å²	63.4	6%	0.058	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.3	165.8	0	0	0	0	0	110.6	M608 V624 L645 V789	M608-A765 HydrophobicContact CE-CB 3.9Å; V624-A765 HydrophobicContact CG2-CB 4.43Å; L645-A765 HydrophobicContact CD1-CB 3.86Å; A765-V789 HydrophobicContact CB-CG2 4.16Å; A765-V789 PolarHBondContact N-O 3.26Å; A765-V789 VanDerWaalsContact O-CG2 3.28Å; A765-V789 WeakPolarHBondContact O-CG2 3.38Å; A765-V789 PolarHBondContact O-N 2.69Å; A765-V789 VanDerWaalsContact O-O 3.14Å
766	V	81.2	Confident	64	Low	42 Å²	42	54.6 Å²	54.6	26%	0.255	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123	169.2	-179.3	0	0	0	0	107.6	V624 K625 I786 Y787 E788	V624-V766 CarbonylContact C-O 3.51Å; V624-V766 WeakPolarHBondContact CA-O 3.06Å; K625-V766 HydrophobicContact CB-CB 4.11Å; K625-V766 HydrophobicContact CB-CG1 4.04Å; K625-V766 HydrophobicContact CD-CB 4.38Å; K625-V766 HydrophobicContact CD-CG1 3.76Å; K625-V766 PolarHBondContact N-O 2.81Å; V766-I786 HydrophobicContact CG1-CG2 3.48Å; V766-I786 VanDerWaalsContact CG1-CG2 3.48Å; V766-Y787 CarbonylContact C-O 3.55Å; V766-Y787 WeakPolarHBondContact CA-O 3.34Å; V766-E788 HydrophobicContact CG2-CB 4.44Å; V766-E788 HydrophobicContact CG2-CG 4.41Å
767	V	83.3	Confident	64.6	Low	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136	-177.2	-178.7	0	0	0	0	109.3	M599 V622 F623 V624 L643 Y787 V789	M599-V767 HydrophobicContact CE-CB 3.54Å; M599-V767 HydrophobicContact CE-CG1 3.28Å; M599-V767 HydrophobicContact CE-CG2 4.47Å; V622-V767 HydrophobicContact CG1-CG1 3.61Å; F623-V767 CarbonylContact O-C 3.57Å; F623-V767 WeakPolarHBondContact O-CA 3.44Å; F623-V767 WeakPolarHBondContact O-CG1 3.41Å; V624-V767 HydrophobicContact CG2-CG2 4.16Å; L643-V767 HydrophobicContact CD2-CG1 3.73Å; L643-V767 HydrophobicContact CD2-CG2 3.95Å; V767-Y787 PolarHBondContact N-O 3.24Å; V767-Y787 PolarHBondContact O-N 2.98Å; V767-V789 HydrophobicContact CG2-CG2 3.69Å
768	V	83.9	Confident	65.3	Low	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.8	175.5	-176	0	0	0	0	108.7	V622 F623 K625 V780 D784 E785 I786	V622-V768 WeakPolarHBondContact CA-O 3.49Å; F623-V768 HydrophobicContact CD1-CB 4.25Å; F623-V768 HydrophobicContact CD2-CB 4.33Å; F623-V768 HydrophobicContact CE1-CB 3.87Å; F623-V768 HydrophobicContact CE1-CG1 3.88Å; F623-V768 HydrophobicContact CE2-CB 3.94Å; F623-V768 HydrophobicContact CE2-CG1 4.45Å; F623-V768 HydrophobicContact CE2-CG2 4.05Å; F623-V768 HydrophobicContact CG-CB 4.48Å; F623-V768 HydrophobicContact CZ-CB 3.71Å; F623-V768 HydrophobicContact CZ-CG1 3.76Å; F623-V768 HydrophobicContact CZ-CG2 4.18Å; F623-V768 PolarHBondContact N-O 2.9Å; F623-V768 PolarHBondContact O-N 3.2Å; K625-V768 HydrophobicContact CB-CG2 4.13Å; K625-V768 HydrophobicContact CG-CG2 4.35Å; V768-V780 HydrophobicContact CG1-CG1 3.94Å; V768-V780 HydrophobicContact CG1-CG2 4.09Å; V768-V780 HydrophobicContact CG2-CG2 4.14Å; V768-D784 HydrophobicContact CG1-CB 4.24Å; V768-E785 CarbonylContact C-O 3.49Å; V768-E785 WeakPolarHBondContact CA-O 3.28Å; V768-I786 HydrophobicContact CG2-CG1 4.41Å
769	V	85.1	Confident	66.4	Low	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	96.5	172.1	-177.9	0	0	0	0	107.5	M599 V612 F618 V622 T771 E785 Y787	M599-V769 HydrophobicContact CE-CG2 3.73Å; M599-V769 HydrophobicContact SD-CG2 4.07Å; V612-V769 HydrophobicContact CG1-CG1 3.99Å; V612-V769 HydrophobicContact CG1-CG2 3.79Å; V612-V769 HydrophobicContact CG2-CG2 4.05Å; F618-V769 HydrophobicContact CE2-CG1 3.79Å; F618-V769 HydrophobicContact CZ-CG1 3.88Å; V622-V769 HydrophobicContact CG2-CG1 4.27Å; V622-V769 HydrophobicContact CG2-CG2 4.32Å; V769-T771 HydrophobicContact CG1-CG2 4.44Å; V769-E785 HydrophobicContact CB-CB 4.31Å; V769-E785 PolarHBondContact N-O 2.9Å; V769-E785 PolarHBondContact O-N 2.91Å; V769-Y787 HydrophobicContact CB-CE2 4.42Å; V769-Y787 HydrophobicContact CG2-CD2 4Å; V769-Y787 HydrophobicContact CG2-CE2 3.78Å
770	Q	81	Confident	67.1	Low	6 Å²	6	42.4 Å²	42.4	3%	0.028	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120.8	178	-176.6	-177.6	58.9	0	0	109.5	G620 A621 F623 I776 L779 D784	G620-Q770 WeakPolarHBondContact CA-O 3.27Å; A621-Q770 PolarHBondContact N-O 2.89Å; A621-Q770 WeakPolarHBondContact O-CB 3.25Å; A621-Q770 PolarHBondContact O-N 2.75Å; F623-Q770 HydrophobicContact CE1-CB 4.03Å; Q770-I776 PolarHBondContact NE2-O 2.82Å; Q770-L779 PolarHBondContact NE2-O 2.79Å; Q770-D784 WeakPolarHBondContact CA-OD1 3.1Å; Q770-D784 WeakPolarHBondContact CG-OD1 3.49Å
771	T	71.2	Confident	67.6	Low	42 Å²	42	36.3 Å²	36.3	26%	0.258	22%	0.221	S	C	.	.			trans	-107.6	-12.7	-175.1	53.1	0	0	0	0	113.5	K614 F618 T619 V769 M783 D784	K614-T771 HydrophobicContact CD-CG2 4.48Å; K614-T771 VanDerWaalsContact CE-CG2 3.5Å; F618-T771 HydrophobicContact CD2-CG2 4.4Å; T619-T771 CarbonylContact O-C 3.5Å; V769-T771 HydrophobicContact CG1-CG2 4.44Å; T771-M783 PolarHBondContact OG1-O 2.66Å; T771-D784 PolarHBondContact N-OD1 2.89Å; T771-D784 VanDerWaalsContact N-OD1 3.12Å
772	N	59.5	Low	67.7	Low	23 Å²	23	42 Å²	42	12%	0.123	26%	0.26	C	S	.	.			trans	-92.3	140.6	-171.6	58.1	54.6	0	0	0	113	L774 T781 D784	N772-L774 HydrophobicContact CB-CD1 4.34Å; N772-L774 HydrophobicContact CB-CG 4.03Å; N772-L774 PolarHBondContact O-N 3.23Å; N772-L774 VanDerWaalsContact OD1-CB 3.29Å; N772-L774 WeakPolarHBondContact OD1-CB 3.41Å; N772-L774 WeakPolarHBondContact OD1-CG 3.44Å; N772-T781 PolarHBondContact ND2-OG1 3.31Å; N772-T781 VanDerWaalsContact ND2-OG1 3.15Å; N772-D784 PolarHBondContact ND2-OD1 2.72Å; N772-D784 PolarHBondContact ND2-OD2 3.14Å
773	N	54.2	Low	67.6	Low	142 Å²	142	47 Å²	47	76%	0.759	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	30	171.1	-72.8	-48.1	0	0	0	112.5
774	L	57.8	Low	67.8	Low	65 Å²	65	46.7 Å²	46.7	34%	0.34	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-43.5	173.8	-70.4	179.4	0	0	0	109.8	N772 I776 L779 T781 M856	N772-L774 HydrophobicContact CB-CD1 4.34Å; N772-L774 HydrophobicContact CB-CG 4.03Å; N772-L774 PolarHBondContact O-N 3.23Å; N772-L774 VanDerWaalsContact OD1-CB 3.29Å; N772-L774 WeakPolarHBondContact OD1-CB 3.41Å; N772-L774 WeakPolarHBondContact OD1-CG 3.44Å; L774-I776 VanDerWaalsContact C-N 3.31Å; L774-I776 PolarHBondContact O-N 2.94Å; L774-L779 HydrophobicContact CD1-CD2 4.2Å; L774-T781 HydrophobicContact CD1-CG2 3.69Å; L774-M856 VanDerWaalsContact C-CE 3.41Å; L774-M856 HydrophobicContact CB-CE 3.45Å; L774-M856 VanDerWaalsContact CB-CE 3.45Å; L774-M856 HydrophobicContact CD2-CE 3.92Å; L774-M856 HydrophobicContact CG-CE 4.21Å; L774-M856 WeakPolarHBondContact O-CE 3.36Å
775	G	53.2	Low	68.1	Low	57 Å²	57	44.9 Å²	44.9	59%	0.588	28%	0.275	S	S	*	.			trans	73.4	18.6	174.1	0	0	0	0	0	115	P777	G775-P777 WeakPolarHBondContact O-CD 3.46Å
776	I	57.8	Low	68.2	Low	5 Å²	5	47.7 Å²	47.7	3%	0.026	29%	0.288	C	S	.	.			trans	-82.4	120.4	160.9	-70.7	158.6	0	0	0	108.5	Q770 L774 G778 L779 L825 M856	Q770-I776 PolarHBondContact NE2-O 2.82Å; L774-I776 VanDerWaalsContact C-N 3.31Å; L774-I776 PolarHBondContact O-N 2.94Å; I776-G778 PolarHBondContact O-N 2.8Å; I776-L779 HydrophobicContact CB-CB 3.82Å; I776-L779 HydrophobicContact CB-CD2 4.28Å; I776-L779 HydrophobicContact CD1-CD2 3.75Å; I776-L779 HydrophobicContact CG2-CB 3.65Å; I776-L779 PolarHBondContact O-N 3.43Å; I776-L825 HydrophobicContact CD1-CD2 4.22Å; I776-L825 HydrophobicContact CG2-CD2 4.32Å; I776-M856 HydrophobicContact CB-CE 4.45Å; I776-M856 HydrophobicContact CD1-CB 3.97Å; I776-M856 HydrophobicContact CD1-CE 3.35Å; I776-M856 HydrophobicContact CD1-CG 4.37Å; I776-M856 HydrophobicContact CD1-SD 3.43Å; I776-M856 WeakPolarHBondContact CD1-SD 3.35Å; I776-M856 HydrophobicContact CG1-CE 3.56Å; I776-M856 HydrophobicContact CG1-SD 3.52Å; I776-M856 VanDerWaalsContact CG1-SD 3.52Å
777	P	56.2	Low	67.8	Low	66 Å²	66	48 Å²	48	43%	0.429	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	119.8	168.8	-31.7	39.6	0	0	0	112.4	Y628 G775 L779	Y628-P777 HydrophobicContact CD1-CB 3.85Å; Y628-P777 HydrophobicContact CE1-CB 3.47Å; Y628-P777 VanDerWaalsContact CE1-CB 3.47Å; Y628-P777 HydrophobicContact CE1-CG 4.36Å; G775-P777 WeakPolarHBondContact O-CD 3.46Å; P777-L779 VanDerWaalsContact C-N 3.29Å; P777-L779 PolarHBondContact O-N 2.7Å
778	G	60.5	Low	67.4	Low	28 Å²	28	53.1 Å²	53.1	29%	0.289	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	1.9	172	0	0	0	0	0	117.2	Y628 I776 V780	Y628-G778 VanDerWaalsContact CD2-CA 3.46Å; Y628-G778 VanDerWaalsContact CD2-N 3.28Å; I776-G778 PolarHBondContact O-N 2.8Å; G778-V780 PolarHBondContact O-N 2.99Å
779	L	67.5	Low	66.8	Low	29 Å²	29	53.2 Å²	53.2	15%	0.152	31%	0.31	C	S	.	.			trans	-67.7	126.8	172	177.7	63.4	0	0	0	110	Q770 L774 I776 P777 T781 V823 L825	Q770-L779 PolarHBondContact NE2-O 2.79Å; L774-L779 HydrophobicContact CD1-CD2 4.2Å; I776-L779 HydrophobicContact CB-CB 3.82Å; I776-L779 HydrophobicContact CB-CD2 4.28Å; I776-L779 HydrophobicContact CD1-CD2 3.75Å; I776-L779 HydrophobicContact CG2-CB 3.65Å; I776-L779 PolarHBondContact O-N 3.43Å; P777-L779 VanDerWaalsContact C-N 3.29Å; P777-L779 PolarHBondContact O-N 2.7Å; L779-T781 HydrophobicContact CD2-CG2 4.11Å; L779-T781 HydrophobicContact CG-CG2 4.04Å; L779-V823 HydrophobicContact CD1-CG1 4.01Å; L779-L825 HydrophobicContact CD1-CD2 4.27Å
780	V	64.5	Low	65.9	Low	51 Å²	51	53.9 Å²	53.9	31%	0.309	31%	0.314	S	S	.	.			trans	-110.1	123.4	173.7	-168.3	0	0	0	0	108.3	F623 V768 G778 D784 I786	F623-V780 HydrophobicContact CE2-CG2 4.47Å; F623-V780 HydrophobicContact CZ-CG2 4.1Å; V768-V780 HydrophobicContact CG1-CG1 3.94Å; V768-V780 HydrophobicContact CG1-CG2 4.09Å; V768-V780 HydrophobicContact CG2-CG2 4.14Å; G778-V780 PolarHBondContact O-N 2.99Å; V780-D784 HydrophobicContact CG1-CB 4.19Å; V780-I786 HydrophobicContact CG1-CD1 3.81Å; V780-I786 HydrophobicContact CG1-CG1 4.19Å
781	T	64.9	Low	65.1	Low	37 Å²	37	53.6 Å²	53.6	23%	0.227	31%	0.313	C	S	.	.			trans	-110.5	176.8	179.6	70.5	0	0	0	0	111.3	N772 L774 L779 M783 D784	N772-T781 PolarHBondContact ND2-OG1 3.31Å; N772-T781 VanDerWaalsContact ND2-OG1 3.15Å; L774-T781 HydrophobicContact CD1-CG2 3.69Å; L779-T781 HydrophobicContact CD2-CG2 4.11Å; L779-T781 HydrophobicContact CG-CG2 4.04Å; T781-M783 PolarHBondContact O-N 3.4Å; T781-M783 WeakPolarHBondContact OG1-CB 3.33Å; T781-M783 PolarHBondContact OG1-N 2.81Å; T781-M783 VanDerWaalsContact OG1-N 3.12Å; T781-D784 WeakPolarHBondContact CB-OD2 3.09Å; T781-D784 PolarHBondContact N-OD2 2.7Å; T781-D784 PolarHBondContact O-N 3.04Å; T781-D784 PolarHBondContact OG1-OD2 2.8Å
782	S	63.1	Low	64.7	Low	124 Å²	124	53.6 Å²	53.6	87%	0.867	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-6.5	169.1	50.1	0	0	0	0	114.4
783	M	59.7	Low	64.7	Low	141 Å²	141	53.1 Å²	53.1	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-9.4	175	-61.4	-77.7	-68.5	0	0	112.8	T771 T781	T771-M783 PolarHBondContact OG1-O 2.66Å; T781-M783 PolarHBondContact O-N 3.4Å; T781-M783 WeakPolarHBondContact OG1-CB 3.33Å; T781-M783 PolarHBondContact OG1-N 2.81Å; T781-M783 VanDerWaalsContact OG1-N 3.12Å
784	D	73.1	Confident	65	Low	11 Å²	11	49.2 Å²	49.2	6%	0.059	29%	0.291	C	S	.	.	S	Bend	trans	-100.3	133.2	-175.9	-58.1	-57.1	0	0	0	110.4	V768 Q770 T771 N772 V780 T781	V768-D784 HydrophobicContact CG1-CB 4.24Å; Q770-D784 WeakPolarHBondContact CA-OD1 3.1Å; Q770-D784 WeakPolarHBondContact CG-OD1 3.49Å; T771-D784 PolarHBondContact N-OD1 2.89Å; T771-D784 VanDerWaalsContact N-OD1 3.12Å; N772-D784 PolarHBondContact ND2-OD1 2.72Å; N772-D784 PolarHBondContact ND2-OD2 3.14Å; V780-D784 HydrophobicContact CG1-CB 4.19Å; T781-D784 WeakPolarHBondContact CB-OD2 3.09Å; T781-D784 PolarHBondContact N-OD2 2.7Å; T781-D784 PolarHBondContact O-N 3.04Å; T781-D784 PolarHBondContact OG1-OD2 2.8Å
785	E	76.9	Confident	64.8	Low	67 Å²	67	47.8 Å²	47.8	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.6	-177.4	-62.9	146.3	-173.6	0	0	110.9	K614 V768 V769 Y787	K614-E785 IonicContact NZ-OE1 3.45Å; K614-E785 PolarHBondContact NZ-OE1 2.72Å; K614-E785 IonicContact NZ-OE2 2.62Å; K614-E785 PolarHBondContact NZ-OE2 2.92Å; V768-E785 CarbonylContact C-O 3.49Å; V768-E785 WeakPolarHBondContact CA-O 3.28Å; V769-E785 HydrophobicContact CB-CB 4.31Å; V769-E785 PolarHBondContact N-O 2.9Å; V769-E785 PolarHBondContact O-N 2.91Å; E785-Y787 HydrophobicContact CB-CD2 4.28Å; E785-Y787 HydrophobicContact CB-CE2 3.52Å; E785-Y787 HydrophobicContact CG-CE2 4.42Å; E785-Y787 PolarHBondContact OE2-OH 3.37Å
786	I	77.1	Confident	64.6	Low	65 Å²	65	47.5 Å²	47.5	33%	0.333	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	119.9	-178.6	-49.4	178.3	0	0	0	108.8	V766 V768 V780	V766-I786 HydrophobicContact CG1-CG2 3.48Å; V766-I786 VanDerWaalsContact CG1-CG2 3.48Å; V768-I786 HydrophobicContact CG2-CG1 4.41Å; V780-I786 HydrophobicContact CG1-CD1 3.81Å; V780-I786 HydrophobicContact CG1-CG1 4.19Å
787	Y	72.3	Confident	63.9	Low	48 Å²	48	54.6 Å²	54.6	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.1	-178.5	-58.7	-92.5	0	0	0	110.2	M599 V766 V767 V769 E785	M599-Y787 HydrophobicContact CB-CD1 3.67Å; M599-Y787 HydrophobicContact CB-CD2 4.4Å; M599-Y787 HydrophobicContact CB-CE1 4.04Å; M599-Y787 HydrophobicContact CB-CG 3.86Å; M599-Y787 HydrophobicContact CE-CD2 3.69Å; M599-Y787 HydrophobicContact CE-CE2 4.43Å; M599-Y787 HydrophobicContact CE-CG 4.14Å; M599-Y787 HydrophobicContact CG-CD1 4.17Å; M599-Y787 HydrophobicContact CG-CD2 4.14Å; M599-Y787 HydrophobicContact CG-CG 3.81Å; M599-Y787 HydrophobicContact SD-CD2 3.58Å; M599-Y787 VanDerWaalsContact SD-CD2 3.58Å; M599-Y787 HydrophobicContact SD-CE2 3.91Å; M599-Y787 HydrophobicContact SD-CG 3.91Å; V766-Y787 CarbonylContact C-O 3.55Å; V766-Y787 WeakPolarHBondContact CA-O 3.34Å; V767-Y787 PolarHBondContact N-O 3.24Å; V767-Y787 PolarHBondContact O-N 2.98Å; V769-Y787 HydrophobicContact CB-CE2 4.42Å; V769-Y787 HydrophobicContact CG2-CD2 4Å; V769-Y787 HydrophobicContact CG2-CE2 3.78Å; E785-Y787 HydrophobicContact CB-CD2 4.28Å; E785-Y787 HydrophobicContact CB-CE2 3.52Å; E785-Y787 HydrophobicContact CG-CE2 4.42Å; E785-Y787 PolarHBondContact OE2-OH 3.37Å
788	E	75.8	Confident	63	Low	108 Å²	108	55.1 Å²	55.1	51%	0.505	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.5	160.2	-176	169.2	-73.6	0	0	108.6	K764 V766 T790	K764-E788 WeakPolarHBondContact CD-OE2 3.31Å; K764-E788 IonicContact NZ-OE2 3.31Å; K764-E788 PolarHBondContact NZ-OE2 2.58Å; V766-E788 HydrophobicContact CG2-CB 4.44Å; V766-E788 HydrophobicContact CG2-CG 4.41Å; E788-T790 HydrophobicContact CG-CG2 4.13Å
789	V	72.2	Confident	61.8	Low	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.4	-177.1	-74.2	0	0	0	0	109.7	M599 T601 M608 V610 A765 V767	M599-V789 HydrophobicContact CB-CG1 4.42Å; M599-V789 HydrophobicContact CG-CG1 3.68Å; T601-V789 HydrophobicContact CG2-CB 3.78Å; T601-V789 HydrophobicContact CG2-CG1 4.11Å; M608-V789 HydrophobicContact CE-CB 4.43Å; M608-V789 HydrophobicContact CE-CG2 3.96Å; M608-V789 HydrophobicContact SD-CB 4.43Å; V610-V789 HydrophobicContact CG1-CG1 4.03Å; V610-V789 HydrophobicContact CG2-CG2 4.09Å; A765-V789 HydrophobicContact CB-CG2 4.16Å; A765-V789 PolarHBondContact N-O 3.26Å; A765-V789 VanDerWaalsContact O-CG2 3.28Å; A765-V789 WeakPolarHBondContact O-CG2 3.38Å; A765-V789 PolarHBondContact O-N 2.69Å; A765-V789 VanDerWaalsContact O-O 3.14Å; V767-V789 HydrophobicContact CG2-CG2 3.69Å
790	T	65.8	Low	60.2	Low	13 Å²	13	68.7 Å²	68.7	8%	0.08	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.1	-173	90.3	0	0	0	0	112.8	Y763 K764 E788 L807	Y763-T790 CarbonylContact O-C 3.59Å; Y763-T790 WeakPolarHBondContact O-CA 3.41Å; K764-T790 HydrophobicContact CB-CG2 4.17Å; K764-T790 HydrophobicContact CD-CG2 3.55Å; K764-T790 HydrophobicContact CG-CG2 3.59Å; E788-T790 HydrophobicContact CG-CG2 4.13Å; T790-L807 HydrophobicContact CG2-CD2 3.88Å; T790-L807 VanDerWaalsContact OG1-CD1 3.3Å; T790-L807 WeakPolarHBondContact OG1-CD1 3.36Å
791	C	63.1	Low	58.7	Low	1 Å²	1	67.8 Å²	67.8	1%	0.007	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.3	172.7	-76.2	0	0	0	0	109	C603 M608 T762 Y763 Y793	C603-C791 WeakPolarHBondContact CA-SG 3.41Å; C603-C791 HydrophobicContact CB-CB 3.71Å; C603-C791 WeakPolarHBondContact CB-SG 3.29Å; C603-C791 VanDerWaalsContact SG-CA 3.59Å; C603-C791 WeakPolarHBondContact SG-CB 3.41Å; C603-C791 CovalentContact SG-SG 2.03Å; C603-C791 PolarHBondContact SG-SG 3.01Å; M608-C791 VanDerWaalsContact CG-SG 3.59Å; M608-C791 HydrophobicContact SD-CB 4.14Å; M608-C791 PolarHBondContact SD-SG 2.99Å; T762-C791 WeakPolarHBondContact CA-O 3.21Å; Y763-C791 PolarHBondContact N-O 3.42Å; Y763-C791 PolarHBondContact O-N 3.33Å; C791-Y793 HydrophobicContact CB-CD2 4.16Å; C791-Y793 HydrophobicContact CB-CE2 3.44Å; C791-Y793 VanDerWaalsContact CB-CE2 3.44Å
792	D	63.4	Low	57.2	Low	42 Å²	42	71.3 Å²	71.3	23%	0.225	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.7	168.9	-165.9	23.3	0	0	0	112.4	G761 T762 S794	G761-D792 VanDerWaalsContact CA-OD1 3.32Å; G761-D792 WeakPolarHBondContact CA-OD1 3.47Å; G761-D792 VanDerWaalsContact O-OD1 3.08Å; T762-D792 HydrophobicContact CG2-CB 4.49Å; T762-D792 PolarHBondContact N-OD1 2.82Å; D792-S794 WeakPolarHBondContact OD1-CB 3.44Å; D792-S794 PolarHBondContact OD1-N 2.04Å; D792-S794 VanDerWaalsContact OD2-CB 3.22Å; D792-S794 WeakPolarHBondContact OD2-CB 3.32Å; D792-S794 PolarHBondContact OD2-OG 2.83Å
793	Y	60.5	Low	55.8	Low	13 Å²	13	69.2 Å²	69.2	5%	0.051	36%	0.357	C	S	.	.			trans	-116.7	10.8	176.7	-62.8	-72.6	0	0	0	112	C603 N604 G607 F647 G761 Y763 C791 S795 V796	C603-Y793 HydrophobicContact CB-CE1 4.25Å; N604-Y793 PolarHBondContact N-OH 3.47Å; N604-Y793 WeakPolarHBondContact O-CE1 3.4Å; N604-Y793 PolarHBondContact O-OH 2.97Å; G607-Y793 VanDerWaalsContact C-OH 3.32Å; G607-Y793 PolarHBondContact O-OH 3.09Å; F647-Y793 AromaticContact CE1-CD2 3.82Å; F647-Y793 HydrophobicContact CE1-CD2 3.82Å; F647-Y793 AromaticContact CE1-CE2 3.7Å; F647-Y793 HydrophobicContact CE1-CE2 3.7Å; F647-Y793 HydrophobicContact CE1-CG 4.33Å; F647-Y793 AromaticContact CZ-CD1 3.96Å; F647-Y793 HydrophobicContact CZ-CD1 3.96Å; F647-Y793 AromaticContact CZ-CD2 3.83Å; F647-Y793 HydrophobicContact CZ-CD2 3.83Å; F647-Y793 AromaticContact CZ-CE1 3.73Å; F647-Y793 HydrophobicContact CZ-CE1 3.73Å; F647-Y793 AromaticContact CZ-CE2 3.57Å; F647-Y793 HydrophobicContact CZ-CE2 3.57Å; F647-Y793 HydrophobicContact CZ-CG 4Å; F647-Y793 AromaticContact CZ-CZ 3.52Å; G761-Y793 PolarHBondContact O-N 2.89Å; Y763-Y793 HydrophobicContact CD1-CE2 4.15Å; Y763-Y793 HydrophobicContact CG-CE2 4.36Å; C791-Y793 HydrophobicContact CB-CD2 4.16Å; C791-Y793 HydrophobicContact CB-CE2 3.44Å; C791-Y793 VanDerWaalsContact CB-CE2 3.44Å; Y793-S795 PolarHBondContact O-N 2.87Å; Y793-S795 VanDerWaalsContact O-N 3.16Å; Y793-V796 HydrophobicContact CD1-CG2 3.88Å; Y793-V796 HydrophobicContact CG-CG2 4.34Å; Y793-V796 WeakPolarHBondContact O-CB 3.47Å; Y793-V796 VanDerWaalsContact O-CG2 3.3Å; Y793-V796 WeakPolarHBondContact O-CG2 3.36Å; Y793-V796 PolarHBondContact O-N 2.77Å; Y793-V796 VanDerWaalsContact O-N 3.12Å
794	S	59.1	Low	54.4	Low	59 Å²	59	68.7 Å²	68.7	41%	0.413	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-50.1	-37.9	174.9	68.8	0	0	0	0	113	D792 V796	D792-S794 WeakPolarHBondContact OD1-CB 3.44Å; D792-S794 PolarHBondContact OD1-N 2.04Å; D792-S794 VanDerWaalsContact OD2-CB 3.22Å; D792-S794 WeakPolarHBondContact OD2-CB 3.32Å; D792-S794 PolarHBondContact OD2-OG 2.83Å; S794-V796 PolarHBondContact O-N 2.77Å
795	S	53.5	Low	52.3	Low	35 Å²	35	70.4 Å²	70.4	25%	0.245	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-75.5	-12.6	-177	57.6	0	0	0	0	115.3	Y793 Q797 A798	Y793-S795 PolarHBondContact O-N 2.87Å; Y793-S795 VanDerWaalsContact O-N 3.16Å; S795-Q797 PolarHBondContact O-N 2.86Å; S795-A798 WeakPolarHBondContact O-CB 3.49Å; S795-A798 PolarHBondContact O-N 2.85Å
796	V	49.6	Very low	50.1	Low	51 Å²	51	73.7 Å²	73.7	31%	0.309	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.1	-168.7	172.3	0	0	0	0	114.3	Y793 S794 A798 K799 V801	Y793-V796 HydrophobicContact CD1-CG2 3.88Å; Y793-V796 HydrophobicContact CG-CG2 4.34Å; Y793-V796 WeakPolarHBondContact O-CB 3.47Å; Y793-V796 VanDerWaalsContact O-CG2 3.3Å; Y793-V796 WeakPolarHBondContact O-CG2 3.36Å; Y793-V796 PolarHBondContact O-N 2.77Å; Y793-V796 VanDerWaalsContact O-N 3.12Å; S794-V796 PolarHBondContact O-N 2.77Å; V796-A798 PolarHBondContact O-N 3.21Å; V796-A798 VanDerWaalsContact O-N 3.09Å; V796-K799 PolarHBondContact O-N 2.75Å; V796-V801 HydrophobicContact CG2-CG2 3.99Å
797	Q	43.3	Very low	47.7	Very low	155 Å²	155	74.3 Å²	74.3	72%	0.724	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-60.5	-15.4	171.7	-89.2	162.1	87.1	0	0	113.8	S795	S795-Q797 PolarHBondContact O-N 2.86Å
798	A	37.8	Very low	45.6	Very low	76 Å²	76	80.2 Å²	80.2	63%	0.628	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-97	7.6	-177	0	0	0	0	0	115.6	S795 V796 K800	S795-A798 WeakPolarHBondContact O-CB 3.49Å; S795-A798 PolarHBondContact O-N 2.85Å; V796-A798 PolarHBondContact O-N 3.21Å; V796-A798 VanDerWaalsContact O-N 3.09Å; A798-K800 PolarHBondContact O-N 3.11Å
799	K	34.9	Very low	43.4	Very low	199 Å²	199	78.1 Å²	78.1	87%	0.865	42%	0.417	S	S	*	.	S	Bend	trans	59.2	4.3	-171.3	-83.1	-172	174.3	-176.3	0	116	V796	V796-K799 PolarHBondContact O-N 2.75Å
800	K	32.7	Very low	41.4	Very low	144 Å²	144	85.8 Å²	85.8	63%	0.626	45%	0.453	S	S	*	.			trans	-102.9	121.5	161.3	-75.2	-176	171.6	-174.7	0	108.5	A798	A798-K800 PolarHBondContact O-N 3.11Å
801	V	33.4	Very low	39.8	Very low	32 Å²	32	88.1 Å²	88.1	19%	0.194	48%	0.479	C	S	.	.			trans	-80.6	110.3	148.4	169	0	0	0	0	104.6	F605 V796 T803	F605-V801 HydrophobicContact CD1-CG2 3.89Å; F605-V801 HydrophobicContact CD2-CG2 4.34Å; F605-V801 HydrophobicContact CE1-CG2 3.48Å; F605-V801 VanDerWaalsContact CE1-CG2 3.48Å; F605-V801 HydrophobicContact CE2-CB 4.46Å; F605-V801 HydrophobicContact CE2-CG2 3.97Å; F605-V801 HydrophobicContact CG-CG2 4.31Å; F605-V801 HydrophobicContact CZ-CB 4.2Å; F605-V801 HydrophobicContact CZ-CG2 3.53Å; V796-V801 HydrophobicContact CG2-CG2 3.99Å; V801-T803 HydrophobicContact CG1-CG2 4.4Å
802	Q	34.1	Very low	38.2	Very low	110 Å²	110	93 Å²	93	51%	0.514	51%	0.511	S	S	.	.			trans	-83.2	116.7	162.2	-76.1	176.6	-114.1	0	0	106.4	E804	Q802-E804 PolarHBondContact O-N 2.78Å
803	T	33.5	Very low	36.7	Very low	81 Å²	81	97.4 Å²	97.4	50%	0.497	54%	0.539	S	S	.	.			trans	-72.7	87	167	49	0	0	0	0	107.8	V801 A805	V801-T803 HydrophobicContact CG1-CG2 4.4Å; T803-A805 PolarHBondContact O-N 2.91Å
804	E	30.5	Very low	35.1	Very low	130 Å²	130	102.8 Å²	102.8	61%	0.607	58%	0.576	S	S	*	*			trans	-69	76.6	157.5	-71.1	-177.4	171.6	0	0	107.6	Q802 Q806	Q802-E804 PolarHBondContact O-N 2.78Å; E804-Q806 PolarHBondContact O-N 2.97Å
805	A	29.1	Very low	33.8	Very low	47 Å²	47	103.5 Å²	103.5	39%	0.388	58%	0.581	S	S	.	*			trans	-75.6	106.6	157	0	0	0	0	0	105.4	E577 T803	E577-A805 HydrophobicContact CG-CB 4.16Å; E577-A805 WeakPolarHBondContact CG-O 3.48Å; E577-A805 WeakPolarHBondContact OE1-CB 3.48Å; T803-A805 PolarHBondContact O-N 2.91Å
806	Q	29.4	Very low	32.6	Very low	136 Å²	136	108.2 Å²	108.2	64%	0.636	60%	0.603	S	S	*	*			trans	-172.1	78.2	169.1	-108.3	-177.9	11.4	0	0	107.8	E577 E804	E577-Q806 HydrophobicContact CB-CG 4.31Å; E577-Q806 PolarHBondContact OE1-N 3.39Å; E577-Q806 WeakPolarHBondContact OE2-CA 3.49Å; E577-Q806 VanDerWaalsContact OE2-CG 3.28Å; E577-Q806 WeakPolarHBondContact OE2-CG 3.38Å; E804-Q806 PolarHBondContact O-N 2.97Å
807	L	28.2	Very low	31.6	Very low	77 Å²	77	111.7 Å²	111.7	40%	0.403	62%	0.619	S	S	.	*			trans	-119.5	99.6	167.5	-107.7	87.9	0	0	0	110.5	T790 A809	T790-L807 HydrophobicContact CG2-CD2 3.88Å; T790-L807 VanDerWaalsContact OG1-CD1 3.3Å; T790-L807 WeakPolarHBondContact OG1-CD1 3.36Å; L807-A809 PolarHBondContact O-N 3.16Å
808	H	28.2	Very low	31.1	Very low	172 Å²	172	111 Å²	111	80%	0.796	62%	0.615	S	S	*	*			trans	-61	107.2	170.5	-160.6	-44.4	0	0	0	109.3	E810	H808-E810 PolarHBondContact O-N 2.82Å
809	A	30.1	Very low	30.8	Very low	64 Å²	64	111 Å²	111	53%	0.529	61%	0.609	S	S	.	*			trans	-77.9	66.6	179.8	0	0	0	0	0	111.5	L807 G811	L807-A809 PolarHBondContact O-N 3.16Å; A809-G811 PolarHBondContact O-N 3.21Å
810	E	29.4	Very low	30.7	Very low	165 Å²	165	114.2 Å²	114.2	77%	0.771	62%	0.615	S	S	*	*			trans	-67.8	79.6	164.9	-73.1	-158.2	131.5	0	0	110.1	H808	H808-E810 PolarHBondContact O-N 2.82Å
811	G	32.3	Very low	31.2	Very low	62 Å²	62	109.8 Å²	109.8	64%	0.639	61%	0.611	S	S	*	*			trans	-61.2	125.1	163.8	0	0	0	0	0	109.1	A809 V813	A809-G811 PolarHBondContact O-N 3.21Å; G811-V813 PolarHBondContact O-N 3.48Å
812	P	29.6	Very low	31.9	Very low	104 Å²	104	112.7 Å²	112.7	68%	0.675	62%	0.621	S	S	*	*			trans	-62.5	136.5	177.7	25.7	-33.6	0	0	0	109.8
813	V	30.7	Very low	32.7	Very low	134 Å²	134	109.2 Å²	109.2	81%	0.812	61%	0.607	S	S	*	*	S	Bend	trans	-40.3	125.2	167.8	176.4	0	0	0	0	108.2	G811 S815	G811-V813 PolarHBondContact O-N 3.48Å; V813-S815 VanDerWaalsContact C-N 3.32Å; V813-S815 PolarHBondContact O-N 2.76Å
814	P	27.7	Very low	34.1	Very low	126 Å²	126	111.1 Å²	111.1	82%	0.818	61%	0.61	S	S	*	*			trans	-54.5	90	-156.6	16.2	-31.8	0	0	0	113.1
815	S	32	Very low	35.5	Very low	74 Å²	74	105.3 Å²	105.3	52%	0.517	58%	0.583	S	S	.	*			trans	-77	128.9	-179.4	63.2	0	0	0	0	107.4	V813 I817	V813-S815 VanDerWaalsContact C-N 3.32Å; V813-S815 PolarHBondContact O-N 2.76Å; S815-I817 VanDerWaalsContact C-N 3.32Å; S815-I817 WeakPolarHBondContact O-CG1 3.47Å; S815-I817 PolarHBondContact O-N 3.18Å
816	N	28.5	Very low	36.9	Very low	134 Å²	134	106.7 Å²	106.7	72%	0.717	59%	0.59	S	S	*	*			trans	-60.1	93.4	177.4	-81.7	-37.2	0	0	0	110.7	H818	N816-H818 PolarHBondContact O-N 3.16Å; N816-H818 PolarHBondContact O-ND1 3.16Å
817	I	28.8	Very low	38.7	Very low	124 Å²	124	102 Å²	102	64%	0.636	57%	0.572	S	S	*	*			trans	-72.4	77.2	171.3	-51.5	-176.8	0	0	0	107.3	S815 P819	S815-I817 VanDerWaalsContact C-N 3.32Å; S815-I817 WeakPolarHBondContact O-CG1 3.47Å; S815-I817 PolarHBondContact O-N 3.18Å; I817-P819 WeakPolarHBondContact O-CD 3.09Å
818	H	32.2	Very low	41	Very low	141 Å²	141	98.3 Å²	98.3	65%	0.653	55%	0.553	S	S	*	*			trans	-57.3	118.8	159.1	-61	76.8	0	0	0	106.2	N816 R820	N816-H818 PolarHBondContact O-N 3.16Å; N816-H818 PolarHBondContact O-ND1 3.16Å; H818-R820 PolarHBondContact O-N 3.33Å; H818-R820 VanDerWaalsContact O-N 3.07Å
819	P	32.3	Very low	43.6	Very low	76 Å²	76	90.2 Å²	90.2	49%	0.494	52%	0.516	S	S	.	.			trans	-60.7	118.7	-179.4	24.2	-32.7	0	0	0	108.9	I817 G821 V823	I817-P819 WeakPolarHBondContact O-CD 3.09Å; P819-G821 CarbonylContact C-O 3.52Å; P819-G821 PolarHBondContact O-N 3.22Å; P819-V823 HydrophobicContact CB-CG2 3.96Å; P819-V823 HydrophobicContact CG-CG2 3.73Å
820	R	31.9	Very low	46.1	Very low	265 Å²	265	89.1 Å²	89.1	100%	1	50%	0.503	S	S	*	.	S	Bend	trans	-77.4	76.7	176.5	-94.3	-170.7	163.2	-172.9	-3.7	109.7	H818	H818-R820 PolarHBondContact O-N 3.33Å; H818-R820 VanDerWaalsContact O-N 3.07Å
821	G	43.2	Very low	48.7	Very low	52 Å²	52	81.5 Å²	81.5	54%	0.536	47%	0.467	S	S	.	.	S	Bend	trans	137.3	147.7	-171	0	0	0	0	0	109.4	P819	P819-G821 CarbonylContact C-O 3.52Å; P819-G821 PolarHBondContact O-N 3.22Å
822	K	47.5	Very low	51.1	Low	93 Å²	93	81 Å²	81	40%	0.404	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-76.5	137.4	-176.7	-57.1	-176.5	178.7	-172.4	0	110.1	E824 V1018 T1019 E1020 E1021 I1023	K822-E824 PolarHBondContact O-N 3.01Å; K822-V1018 HydrophobicContact CD-CG1 3.53Å; K822-T1019 VanDerWaalsContact CD-O 3.32Å; K822-T1019 WeakPolarHBondContact CD-O 3.44Å; K822-T1019 WeakPolarHBondContact CE-O 3.24Å; K822-T1019 PolarHBondContact NZ-O 2.03Å; K822-E1020 VanDerWaalsContact CE-O 3.31Å; K822-E1020 WeakPolarHBondContact CE-O 3.32Å; K822-E1021 CarbonylContact C-O 3.57Å; K822-E1021 VanDerWaalsContact CA-O 3.25Å; K822-E1021 WeakPolarHBondContact CA-O 3.47Å; K822-I1023 HydrophobicContact CB-CD1 3.81Å; K822-I1023 HydrophobicContact CB-CG1 3.7Å; K822-I1023 HydrophobicContact CD-CG1 4.47Å
823	V	51.6	Low	53.6	Low	36 Å²	36	76.3 Å²	76.3	22%	0.218	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.9	-172.6	-175.5	0	0	0	0	110.3	L779 P819 L825 E1021 Y1022 I1023	L779-V823 HydrophobicContact CD1-CG1 4.01Å; P819-V823 HydrophobicContact CB-CG2 3.96Å; P819-V823 HydrophobicContact CG-CG2 3.73Å; V823-L825 HydrophobicContact CG1-CD2 3.68Å; V823-L825 HydrophobicContact CG1-CG 4.41Å; V823-E1021 PolarHBondContact N-O 3.28Å; V823-Y1022 HydrophobicContact CB-CD1 4.07Å; V823-Y1022 HydrophobicContact CB-CE1 4.49Å; V823-Y1022 WeakPolarHBondContact O-CA 3.23Å; V823-I1023 PolarHBondContact O-N 2.05Å
824	E	62.9	Low	56	Low	121 Å²	121	70.2 Å²	70.2	57%	0.565	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.2	172.1	-85.7	-167.6	-159.9	0	0	111.5	K822 K1016 I1023	K822-E824 PolarHBondContact O-N 3.01Å; E824-K1016 IonicContact OE1-NZ 2.66Å; E824-K1016 PolarHBondContact OE1-NZ 3.41Å; E824-K1016 IonicContact OE2-NZ 2.73Å; E824-K1016 PolarHBondContact OE2-NZ 3.49Å; E824-I1023 WeakPolarHBondContact CA-O 3.45Å; E824-I1023 HydrophobicContact CG-CB 3.57Å; E824-I1023 HydrophobicContact CG-CD1 4.03Å; E824-I1023 HydrophobicContact CG-CG1 4.39Å; E824-I1023 HydrophobicContact CG-CG2 3.56Å
825	L	60.3	Low	58.3	Low	8 Å²	8	64.6 Å²	64.6	4%	0.042	35%	0.347	C	S	.	.			trans	-116.1	112.7	-178.6	-58.1	-177.3	0	0	0	110.8	I776 L779 V823 P828 V857 Y1022 I1023 V1024 P1025	I776-L825 HydrophobicContact CD1-CD2 4.22Å; I776-L825 HydrophobicContact CG2-CD2 4.32Å; L779-L825 HydrophobicContact CD1-CD2 4.27Å; V823-L825 HydrophobicContact CG1-CD2 3.68Å; V823-L825 HydrophobicContact CG1-CG 4.41Å; L825-P828 HydrophobicContact CB-CB 4.41Å; L825-P828 HydrophobicContact CD1-CB 4.33Å; L825-V857 HydrophobicContact CD1-CG2 3.66Å; L825-Y1022 HydrophobicContact CD1-CD1 3.71Å; L825-Y1022 HydrophobicContact CD1-CE1 4.32Å; L825-Y1022 HydrophobicContact CD1-CG 4.43Å; L825-Y1022 HydrophobicContact CG-CD1 4.24Å; L825-I1023 PolarHBondContact N-O 2.93Å; L825-V1024 HydrophobicContact CB-CG1 4.31Å; L825-V1024 HydrophobicContact CD1-CG1 4.19Å; L825-P1025 WeakPolarHBondContact O-CD 3.37Å
826	S	58.3	Low	60.1	Low	76 Å²	76	69.1 Å²	69.1	53%	0.531	37%	0.366	S	S	.	.	S	Bend	trans	-66.7	-36.3	-179.2	52.7	0	0	0	0	113.8
827	S	67.8	Low	61.8	Low	37 Å²	37	66.1 Å²	66.1	26%	0.259	37%	0.366	S	S	.	.			trans	-139	90.2	175.6	-75.3	0	0	0	0	110.8	V829 S1029	S827-V829 PolarHBondContact O-N 2.93Å; S827-V829 VanDerWaalsContact O-N 3.08Å; S827-S1029 PolarHBondContact OG-O 2.87Å
828	P	76	Confident	63.3	Low	1 Å²	1	67.2 Å²	67.2	1%	0.006	37%	0.369	C	S	.	.			trans	-73.2	7.5	-176.5	29.6	-38.9	0	0	0	115.8	L825 M856 V857 I972 V1024	L825-P828 HydrophobicContact CB-CB 4.41Å; L825-P828 HydrophobicContact CD1-CB 4.33Å; P828-M856 PolarHBondContact O-N 2.7Å; P828-V857 HydrophobicContact CB-CG2 3.74Å; P828-I972 HydrophobicContact CG-CD1 4.16Å; P828-I972 HydrophobicContact CG-CG1 4.3Å; P828-V1024 HydrophobicContact CB-CB 4.47Å; P828-V1024 HydrophobicContact CB-CG1 4.05Å; P828-V1024 HydrophobicContact CG-CB 4.18Å; P828-V1024 HydrophobicContact CG-CG1 4.31Å
829	V	81.5	Confident	65.1	Low	2 Å²	2	65.8 Å²	65.8	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	125.6	-175	-177.3	0	0	0	0	109.9	S827 W853 E854 M855 F864 L970 I972	S827-V829 PolarHBondContact O-N 2.93Å; S827-V829 VanDerWaalsContact O-N 3.08Å; V829-W853 HydrophobicContact CG1-CB 4.15Å; V829-E854 WeakPolarHBondContact CA-O 3.22Å; V829-M855 HydrophobicContact CG2-CB 4.32Å; V829-M855 HydrophobicContact CG2-CE 4.5Å; V829-M855 HydrophobicContact CG2-CG 4.47Å; V829-F864 HydrophobicContact CG1-CD2 4.18Å; V829-F864 HydrophobicContact CG1-CE2 4.14Å; V829-F864 HydrophobicContact CG1-CG 4.47Å; V829-F864 HydrophobicContact CG1-CZ 4.37Å; V829-F864 HydrophobicContact CG2-CB 4.06Å; V829-F864 HydrophobicContact CG2-CD1 4.32Å; V829-F864 HydrophobicContact CG2-CD2 4.4Å; V829-F864 HydrophobicContact CG2-CG 4Å; V829-L970 HydrophobicContact CB-CD1 3.61Å; V829-L970 HydrophobicContact CG1-CD1 3.64Å; V829-L970 HydrophobicContact CG2-CD1 4.12Å; V829-I972 HydrophobicContact CG2-CD1 4.12Å
830	V	83.8	Confident	67.1	Low	41 Å²	41	63.6 Å²	63.6	25%	0.248	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	160.7	172.4	-81.4	0	0	0	0	111.8	W853 E854 M856	V830-W853 WeakPolarHBondContact O-CA 3.29Å; V830-E854 HydrophobicContact CG2-CB 4.24Å; V830-E854 PolarHBondContact N-O 3.02Å; V830-E854 PolarHBondContact O-N 3.37Å; V830-M856 HydrophobicContact CB-SD 4.29Å; V830-M856 HydrophobicContact CG1-CE 4.38Å; V830-M856 HydrophobicContact CG1-CG 4.49Å; V830-M856 HydrophobicContact CG1-SD 3.54Å; V830-M856 VanDerWaalsContact CG1-SD 3.54Å; V830-M856 HydrophobicContact CG2-CG 3.92Å; V830-M856 HydrophobicContact CG2-SD 4.05Å
831	M	83.2	Confident	69.3	Low	4 Å²	4	57.1 Å²	57.1	2%	0.02	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.3	175.1	178.7	173.1	56.8	0	0	110.9	L851 K852 W853 I966 C968 A1030 T1032	M831-L851 HydrophobicContact SD-CD2 4.26Å; M831-K852 WeakPolarHBondContact CA-O 3.42Å; M831-W853 HydrophobicContact SD-CZ2 3.9Å; M831-W853 PolarHBondContact SD-NE1 2.76Å; M831-I966 HydrophobicContact CE-CB 4.29Å; M831-I966 HydrophobicContact CE-CG2 4.04Å; M831-I966 VanDerWaalsContact CE-O 3.22Å; M831-I966 WeakPolarHBondContact CE-O 3.42Å; M831-I966 HydrophobicContact SD-CG2 4.42Å; M831-C968 HydrophobicContact CE-CB 4.43Å; M831-C968 HydrophobicContact SD-CB 4.41Å; M831-A1030 HydrophobicContact CB-CB 3.73Å; M831-T1032 HydrophobicContact CE-CG2 3.96Å; M831-T1032 HydrophobicContact CG-CG2 4.21Å; M831-T1032 VanDerWaalsContact O-CB 3.25Å; M831-T1032 WeakPolarHBondContact O-CB 3.26Å; M831-T1032 PolarHBondContact O-OG1 2.9Å; M831-T1032 HydrophobicContact SD-CG2 4.41Å
832	N	84	Confident	71.1	Confident	53 Å²	53	61.1 Å²	61.1	28%	0.283	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	164.6	175.2	-68.3	-53.7	0	0	0	110.1	K852	N832-K852 PolarHBondContact N-O 3.09Å; N832-K852 PolarHBondContact O-N 3.48Å
833	M	82.5	Confident	72.8	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.02	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.5	164.4	-68.3	147.5	-59.9	0	0	108.5	N839 V840 E850 L851 T1032 F1034	M833-N839 CarbonylContact O-C 3.52Å; M833-N839 WeakPolarHBondContact O-CA 3.02Å; M833-V840 PolarHBondContact O-N 3.09Å; M833-E850 CarbonylContact C-O 3.52Å; M833-E850 WeakPolarHBondContact CA-O 3.35Å; M833-L851 HydrophobicContact CG-CD2 3.91Å; M833-T1032 HydrophobicContact CE-CG2 3.53Å; M833-T1032 WeakPolarHBondContact CE-OG1 2.95Å; M833-T1032 HydrophobicContact CG-CG2 4.06Å; M833-T1032 HydrophobicContact SD-CG2 3.69Å; M833-F1034 HydrophobicContact CE-CB 3.66Å; M833-F1034 HydrophobicContact CE-CD1 4.04Å; M833-F1034 HydrophobicContact CE-CG 4.13Å; M833-F1034 HydrophobicContact SD-CB 3.76Å; M833-F1034 HydrophobicContact SD-CD1 3.24Å; M833-F1034 WeakPolarHBondContact SD-CD1 3.45Å; M833-F1034 HydrophobicContact SD-CD2 4.28Å; M833-F1034 HydrophobicContact SD-CE1 3.79Å; M833-F1034 HydrophobicContact SD-CG 3.54Å; M833-F1034 VanDerWaalsContact SD-CG 3.54Å; M833-F1034 HydrophobicContact SD-CZ 4.5Å
834	A	79.5	Confident	74.4	Confident	6 Å²	6	60.8 Å²	60.8	5%	0.05	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.7	173.9	0	0	0	0	0	111.4	Q838 L849 E850	A834-Q838 CarbonylContact C-O 3.54Å; A834-Q838 WeakPolarHBondContact CA-O 3.04Å; A834-L849 CarbonylContact O-C 3.55Å; A834-L849 WeakPolarHBondContact O-CA 3.33Å; A834-E850 HydrophobicContact CB-CB 4.42Å; A834-E850 PolarHBondContact N-O 3.27Å; A834-E850 PolarHBondContact O-N 3.3Å
835	G	76.3	Confident	75.4	Confident	8 Å²	8	58.4 Å²	58.4	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.8	167.3	0	0	0	0	0	108.2	G837 Q838	G835-G837 PolarHBondContact O-N 3Å; G835-Q838 PolarHBondContact N-O 2.64Å; G835-Q838 PolarHBondContact O-N 3.45Å
836	N	69.5	Low	76.6	Confident	170 Å²	170	59.6 Å²	59.6	91%	0.909	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	31.2	-173.5	-58.2	-34	0	0	0	114.3	Q838	N836-Q838 VanDerWaalsContact C-N 3.34Å; N836-Q838 PolarHBondContact O-N 2.94Å
837	G	65.5	Low	78.1	Confident	70 Å²	70	59.2 Å²	59.2	72%	0.722	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-1.7	-178.7	0	0	0	0	0	116.1	G835	G835-G837 PolarHBondContact O-N 3Å
838	Q	59.4	Low	79.1	Confident	148 Å²	148	62.2 Å²	62.2	69%	0.692	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	151.4	175.3	-65.2	-175.4	-23.9	0	0	111.1	A834 G835 N836	A834-Q838 CarbonylContact C-O 3.54Å; A834-Q838 WeakPolarHBondContact CA-O 3.04Å; G835-Q838 PolarHBondContact N-O 2.64Å; G835-Q838 PolarHBondContact O-N 3.45Å; N836-Q838 VanDerWaalsContact C-N 3.34Å; N836-Q838 PolarHBondContact O-N 2.94Å
839	N	71	Confident	79.7	Confident	110 Å²	110	62.4 Å²	62.4	59%	0.588	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	131	174.5	-76.4	-27.1	0	0	0	110.8	M833	M833-N839 CarbonylContact O-C 3.52Å; M833-N839 WeakPolarHBondContact O-CA 3.02Å
840	V	74.4	Confident	80.1	Confident	30 Å²	30	66.5 Å²	66.5	18%	0.182	36%	0.362	C	S	.	.			trans	-121.9	126.5	-172.5	172.8	0	0	0	0	111.4	M833 Q842 A843 L849	M833-V840 PolarHBondContact O-N 3.09Å; V840-Q842 WeakPolarHBondContact CG1-O 3.28Å; V840-A843 HydrophobicContact CG1-CB 4.39Å; V840-L849 HydrophobicContact CG1-CD2 4.5Å
841	L	76.5	Confident	80.5	Confident	130 Å²	130	64.6 Å²	64.6	68%	0.681	35%	0.35	S	S	*	.	S	Bend	trans	-103.4	-15.1	173.9	-65.8	179.3	0	0	0	113.6	F1034 V1035	L841-F1034 WeakPolarHBondContact O-CA 3.05Å; L841-V1035 PolarHBondContact O-N 2.96Å
842	Q	81	Confident	80.8	Confident	135 Å²	135	66.5 Å²	66.5	63%	0.631	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	124.1	179.7	-58.3	-172.9	5.2	0	0	109.6	V840 V1035 V1037	V840-Q842 WeakPolarHBondContact CG1-O 3.28Å; Q842-V1035 WeakPolarHBondContact CA-O 3.15Å; Q842-V1035 HydrophobicContact CG-CB 4.33Å; Q842-V1037 HydrophobicContact CB-CG2 4.3Å
843	A	83.8	Confident	81.2	Confident	2 Å²	2	64 Å²	64	2%	0.017	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.8	-179.5	0	0	0	0	0	111.2	V840 E847 L849 A955 F1034 V1035 I1036 V1037	V840-A843 HydrophobicContact CG1-CB 4.39Å; A843-E847 WeakPolarHBondContact CA-OE2 3.47Å; A843-L849 HydrophobicContact CB-CD1 3.76Å; A843-L849 HydrophobicContact CB-CD2 4.09Å; A843-L849 HydrophobicContact CB-CG 4.37Å; A843-A955 HydrophobicContact CB-CB 4.14Å; A843-F1034 HydrophobicContact CB-CD2 4.38Å; A843-V1035 PolarHBondContact N-O 3.41Å; A843-I1036 CarbonylContact O-C 3.15Å; A843-I1036 WeakPolarHBondContact O-CA 3.41Å; A843-V1037 PolarHBondContact O-N 2.88Å
844	K	84.9	Confident	81.3	Confident	121 Å²	121	66.5 Å²	66.5	53%	0.526	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.5	173.8	-67.9	174.7	-178.3	173.9	0	110.3	G846 E847 A955 V1037 P1039	K844-G846 PolarHBondContact O-N 3.03Å; K844-E847 HydrophobicContact CB-CB 4.28Å; K844-E847 PolarHBondContact N-OE2 2.83Å; K844-E847 WeakPolarHBondContact O-CB 3.37Å; K844-E847 PolarHBondContact O-N 3.33Å; K844-A955 WeakPolarHBondContact O-CB 3.38Å; K844-V1037 WeakPolarHBondContact CA-O 3.21Å; K844-P1039 HydrophobicContact CB-CG 4.45Å; K844-P1039 HydrophobicContact CD-CG 4.39Å; K844-P1039 HydrophobicContact CG-CG 4.35Å
845	L	85.2	Confident	81.4	Confident	70 Å²	70	66.8 Å²	66.8	37%	0.366	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	123.6	175.3	-175.4	62.7	0	0	0	110.5	R957 I1036 V1037	L845-R957 HydrophobicContact CD1-CB 4.49Å; L845-R957 HydrophobicContact CD1-CG 4.16Å; L845-I1036 HydrophobicContact CB-CG2 3.87Å; L845-I1036 HydrophobicContact CD1-CG2 4.22Å; L845-V1037 PolarHBondContact N-O 2.6Å
846	G	84.6	Confident	81	Confident	33 Å²	33	68.2 Å²	68.2	34%	0.34	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-3.2	-176.8	0	0	0	0	0	116	K844 Q954 A955	K844-G846 PolarHBondContact O-N 3.03Å; G846-Q954 WeakPolarHBondContact O-CG 3.11Å; G846-Q954 PolarHBondContact O-NE2 3.25Å; G846-A955 WeakPolarHBondContact CA-O 3.47Å; G846-A955 PolarHBondContact N-O 2.84Å
847	E	89.1	Confident	81	Confident	68 Å²	68	60.3 Å²	60.3	32%	0.318	32%	0.32	S	S	.	.			trans	-63.7	145	176.2	-174.1	165.4	-165.1	0	0	112	A843 K844 L849 A955	A843-E847 WeakPolarHBondContact CA-OE2 3.47Å; K844-E847 HydrophobicContact CB-CB 4.28Å; K844-E847 PolarHBondContact N-OE2 2.83Å; K844-E847 WeakPolarHBondContact O-CB 3.37Å; K844-E847 PolarHBondContact O-N 3.33Å; E847-L849 HydrophobicContact CG-CD2 4.23Å; E847-A955 HydrophobicContact CB-CB 4.26Å; E847-A955 WeakPolarHBondContact O-CB 3.49Å; E847-A955 PolarHBondContact O-N 3.02Å
848	M	88.6	Confident	80.9	Confident	101 Å²	101	66.1 Å²	66.1	50%	0.498	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.4	176.8	-73.8	-58.5	-53.5	0	0	110.5	P938 P952 Q954	M848-P938 HydrophobicContact CE-CG 3.96Å; M848-P952 HydrophobicContact CE-CB 4.07Å; M848-Q954 HydrophobicContact SD-CB 3.77Å; M848-Q954 HydrophobicContact SD-CG 3.89Å
849	L	89.5	Confident	81.1	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	166.4	179	-55.1	176.2	0	0	0	110.4	A834 V840 A843 E847 L953 A955 F1034	A834-L849 CarbonylContact O-C 3.55Å; A834-L849 WeakPolarHBondContact O-CA 3.33Å; V840-L849 HydrophobicContact CG1-CD2 4.5Å; A843-L849 HydrophobicContact CB-CD1 3.76Å; A843-L849 HydrophobicContact CB-CD2 4.09Å; A843-L849 HydrophobicContact CB-CG 4.37Å; E847-L849 HydrophobicContact CG-CD2 4.23Å; L849-L953 PolarHBondContact N-O 2.98Å; L849-L953 PolarHBondContact O-N 2.97Å; L849-A955 HydrophobicContact CD1-CB 4.08Å; L849-A955 HydrophobicContact CG-CB 4.46Å; L849-F1034 HydrophobicContact CD1-CD2 4.44Å; L849-F1034 HydrophobicContact CD1-CE2 4.25Å
850	E	90.5	Very high	80.9	Confident	89 Å²	89	60.6 Å²	60.6	42%	0.416	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.6	167.4	-58.9	-171.4	135.2	0	0	110	M833 A834 K852	M833-E850 CarbonylContact C-O 3.52Å; M833-E850 WeakPolarHBondContact CA-O 3.35Å; A834-E850 HydrophobicContact CB-CB 4.42Å; A834-E850 PolarHBondContact N-O 3.27Å; A834-E850 PolarHBondContact O-N 3.3Å; E850-K852 PolarHBondContact O-N 3.43Å
851	L	91.3	Very high	81	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.9	162.4	-72.7	170.5	0	0	0	107.8	M831 M833 W853 M937 V950 A951 L953 I966 T1032	M831-L851 HydrophobicContact SD-CD2 4.26Å; M833-L851 HydrophobicContact CG-CD2 3.91Å; L851-W853 HydrophobicContact CB-CH2 3.54Å; L851-W853 HydrophobicContact CB-CZ2 4.05Å; L851-W853 HydrophobicContact CB-CZ3 3.83Å; L851-W853 HydrophobicContact CD1-CH2 3.92Å; L851-W853 HydrophobicContact CD1-CZ2 4.2Å; L851-W853 HydrophobicContact CG-CH2 4.37Å; L851-W853 WeakPolarHBondContact O-CZ3 3.27Å; L851-M937 HydrophobicContact CD1-CE 4.35Å; L851-V950 CarbonylContact O-C 3.58Å; L851-V950 VanDerWaalsContact O-CA 3.24Å; L851-V950 WeakPolarHBondContact O-CA 3.42Å; L851-A951 PolarHBondContact N-O 3.41Å; L851-A951 PolarHBondContact O-N 3.15Å; L851-L953 HydrophobicContact CD1-CB 4.25Å; L851-L953 HydrophobicContact CD1-CD1 4.35Å; L851-L953 HydrophobicContact CD1-CD2 4.11Å; L851-L953 HydrophobicContact CD1-CG 4.48Å; L851-L953 HydrophobicContact CD2-CD2 4.09Å; L851-L953 HydrophobicContact CG-CB 4.09Å; L851-L953 HydrophobicContact CG-CD2 3.99Å; L851-I966 HydrophobicContact CD2-CD1 4.03Å; L851-T1032 HydrophobicContact CD2-CG2 4.5Å
852	K	90.1	Very high	81.3	Confident	44 Å²	44	56.7 Å²	56.7	19%	0.191	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116	179.1	-172.6	-164.5	-178.8	-158.4	0	109.6	M831 N832 E850 E854 T948 V950	M831-K852 WeakPolarHBondContact CA-O 3.42Å; N832-K852 PolarHBondContact N-O 3.09Å; N832-K852 PolarHBondContact O-N 3.48Å; E850-K852 PolarHBondContact O-N 3.43Å; K852-E854 WeakPolarHBondContact CE-OE1 3.22Å; K852-E854 WeakPolarHBondContact CE-OE2 3.39Å; K852-E854 IonicContact NZ-OE1 3.78Å; K852-E854 PolarHBondContact NZ-OE1 2.85Å; K852-E854 IonicContact NZ-OE2 3.92Å; K852-E854 PolarHBondContact NZ-OE2 3.22Å; K852-T948 HydrophobicContact CD-CG2 4.21Å; K852-T948 VanDerWaalsContact CE-CG2 3.44Å; K852-T948 HydrophobicContact CG-CG2 3.69Å; K852-V950 HydrophobicContact CB-CG1 4.4Å; K852-V950 HydrophobicContact CG-CG1 4.25Å
853	W	91.8	Very high	81.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.7	166.8	-61.7	-89.2	0	0	0	109.8	V829 V830 M831 L851 F864 V866 I923 V941 T948 K949 A951	V829-W853 HydrophobicContact CG1-CB 4.15Å; V830-W853 WeakPolarHBondContact O-CA 3.29Å; M831-W853 HydrophobicContact SD-CZ2 3.9Å; M831-W853 PolarHBondContact SD-NE1 2.76Å; L851-W853 HydrophobicContact CB-CH2 3.54Å; L851-W853 HydrophobicContact CB-CZ2 4.05Å; L851-W853 HydrophobicContact CB-CZ3 3.83Å; L851-W853 HydrophobicContact CD1-CH2 3.92Å; L851-W853 HydrophobicContact CD1-CZ2 4.2Å; L851-W853 HydrophobicContact CG-CH2 4.37Å; L851-W853 WeakPolarHBondContact O-CZ3 3.27Å; W853-F864 HydrophobicContact CB-CE2 3.44Å; W853-F864 VanDerWaalsContact CB-CE2 3.44Å; W853-F864 HydrophobicContact CB-CZ 3.61Å; W853-F864 HydrophobicContact CG-CE2 4.18Å; W853-V866 HydrophobicContact CD2-CG2 3.91Å; W853-V866 HydrophobicContact CE3-CG2 4.12Å; W853-V866 HydrophobicContact CG-CG2 4.28Å; W853-V866 HydrophobicContact CH2-CG1 4.38Å; W853-V866 HydrophobicContact CZ2-CG1 4.02Å; W853-I923 HydrophobicContact CH2-CD1 4.11Å; W853-V941 HydrophobicContact CZ3-CG1 4.31Å; W853-T948 WeakPolarHBondContact O-CA 3.35Å; W853-K949 PolarHBondContact N-O 3.48Å; W853-K949 PolarHBondContact O-N 3.19Å; W853-A951 HydrophobicContact CH2-CB 4.03Å; W853-A951 HydrophobicContact CZ3-CB 3.76Å
854	E	85	Confident	81.9	Confident	58 Å²	58	51.1 Å²	51.1	27%	0.271	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	117.8	-173.5	-173.8	157.5	-130.9	0	0	109.7	V829 V830 K852 S947	V829-E854 WeakPolarHBondContact CA-O 3.22Å; V830-E854 HydrophobicContact CG2-CB 4.24Å; V830-E854 PolarHBondContact N-O 3.02Å; V830-E854 PolarHBondContact O-N 3.37Å; K852-E854 WeakPolarHBondContact CE-OE1 3.22Å; K852-E854 WeakPolarHBondContact CE-OE2 3.39Å; K852-E854 IonicContact NZ-OE1 3.78Å; K852-E854 PolarHBondContact NZ-OE1 2.85Å; K852-E854 IonicContact NZ-OE2 3.92Å; K852-E854 PolarHBondContact NZ-OE2 3.22Å; E854-S947 WeakPolarHBondContact CA-O 3.43Å
855	M	80.5	Confident	82	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.2	173.5	-177.2	176.7	-75.7	0	0	109	V829 V857 L862 F864 S947 I972	V829-M855 HydrophobicContact CG2-CB 4.32Å; V829-M855 HydrophobicContact CG2-CE 4.5Å; V829-M855 HydrophobicContact CG2-CG 4.47Å; M855-V857 HydrophobicContact CG-CB 4.08Å; M855-V857 HydrophobicContact CG-CG2 4.08Å; M855-V857 HydrophobicContact SD-CB 4.21Å; M855-V857 HydrophobicContact SD-CG2 4.42Å; M855-L862 HydrophobicContact CE-CB 3.83Å; M855-L862 HydrophobicContact SD-CB 3.61Å; M855-L862 HydrophobicContact SD-CD1 4.46Å; M855-F864 HydrophobicContact CB-CD1 4.08Å; M855-F864 HydrophobicContact CB-CE1 4.23Å; M855-F864 HydrophobicContact CE-CB 3.94Å; M855-F864 HydrophobicContact CE-CD1 4.01Å; M855-F864 HydrophobicContact CE-CG 4.44Å; M855-S947 PolarHBondContact N-O 3.25Å; M855-I972 HydrophobicContact CE-CG2 4.49Å
856	M	69.1	Low	82.3	Confident	37 Å²	37	42.8 Å²	42.8	18%	0.182	23%	0.229	C	C	.	.			trans	-89.1	-16.8	-173.8	-59.6	-179.1	69.9	0	0	113.1	L774 I776 P828 V830	L774-M856 VanDerWaalsContact C-CE 3.41Å; L774-M856 HydrophobicContact CB-CE 3.45Å; L774-M856 VanDerWaalsContact CB-CE 3.45Å; L774-M856 HydrophobicContact CD2-CE 3.92Å; L774-M856 HydrophobicContact CG-CE 4.21Å; L774-M856 WeakPolarHBondContact O-CE 3.36Å; I776-M856 HydrophobicContact CB-CE 4.45Å; I776-M856 HydrophobicContact CD1-CB 3.97Å; I776-M856 HydrophobicContact CD1-CE 3.35Å; I776-M856 HydrophobicContact CD1-CG 4.37Å; I776-M856 HydrophobicContact CD1-SD 3.43Å; I776-M856 WeakPolarHBondContact CD1-SD 3.35Å; I776-M856 HydrophobicContact CG1-CE 3.56Å; I776-M856 HydrophobicContact CG1-SD 3.52Å; I776-M856 VanDerWaalsContact CG1-SD 3.52Å; P828-M856 PolarHBondContact O-N 2.7Å; V830-M856 HydrophobicContact CB-SD 4.29Å; V830-M856 HydrophobicContact CG1-CE 4.38Å; V830-M856 HydrophobicContact CG1-CG 4.49Å; V830-M856 HydrophobicContact CG1-SD 3.54Å; V830-M856 VanDerWaalsContact CG1-SD 3.54Å; V830-M856 HydrophobicContact CG2-CG 3.92Å; V830-M856 HydrophobicContact CG2-SD 4.05Å
857	V	69.1	Low	82.5	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	23%	0.226	C	C	.	.			trans	-79.6	126.2	173.8	-154.8	0	0	0	0	108	L825 P828 M855 D859 L862 Y1022 V1024	L825-V857 HydrophobicContact CD1-CG2 3.66Å; P828-V857 HydrophobicContact CB-CG2 3.74Å; M855-V857 HydrophobicContact CG-CB 4.08Å; M855-V857 HydrophobicContact CG-CG2 4.08Å; M855-V857 HydrophobicContact SD-CB 4.21Å; M855-V857 HydrophobicContact SD-CG2 4.42Å; V857-D859 HydrophobicContact CB-CB 4.49Å; V857-D859 HydrophobicContact CG1-CB 3.64Å; V857-D859 PolarHBondContact O-N 3.44Å; V857-L862 HydrophobicContact CB-CD1 4.2Å; V857-L862 HydrophobicContact CG1-CD1 4.03Å; V857-L862 HydrophobicContact CG2-CD1 4.24Å; V857-Y1022 HydrophobicContact CG1-CD1 3.92Å; V857-Y1022 HydrophobicContact CG1-CD2 3.14Å; V857-Y1022 HydrophobicContact CG1-CE1 4.04Å; V857-Y1022 HydrophobicContact CG1-CE2 3.31Å; V857-Y1022 HydrophobicContact CG1-CG 3.5Å; V857-Y1022 VanDerWaalsContact CG1-CG 3.5Å; V857-V1024 HydrophobicContact CG2-CG1 4.31Å
858	Q	62.9	Low	82.6	Confident	192 Å²	192	43 Å²	43	90%	0.897	22%	0.22	S	C	*	.			trans	-82.8	12	175.6	-61.3	-171.2	1.3	0	0	112.7	S860	Q858-S860 PolarHBondContact O-N 2.81Å
859	D	65.2	Low	82.8	Confident	28 Å²	28	38.1 Å²	38.1	15%	0.15	20%	0.196	C	C	.	.			trans	-76.8	108.3	-179.3	-169.4	-37.6	0	0	0	110.9	V857 T861 L862 T1019 Y1022	V857-D859 HydrophobicContact CB-CB 4.49Å; V857-D859 HydrophobicContact CG1-CB 3.64Å; V857-D859 PolarHBondContact O-N 3.44Å; D859-T861 PolarHBondContact O-N 3.42Å; D859-T861 WeakPolarHBondContact OD1-CA 3.36Å; D859-T861 VanDerWaalsContact OD1-CB 3.29Å; D859-T861 WeakPolarHBondContact OD1-CB 3.47Å; D859-T861 WeakPolarHBondContact OD1-CG2 3.48Å; D859-T861 PolarHBondContact OD1-N 3.01Å; D859-T861 PolarHBondContact OD1-OG1 2.68Å; D859-L862 HydrophobicContact CB-CD1 4.27Å; D859-L862 HydrophobicContact CB-CG 4.38Å; D859-L862 PolarHBondContact O-N 2.7Å; D859-L862 VanDerWaalsContact O-N 3.15Å; D859-T1019 WeakPolarHBondContact OD2-CB 3.39Å; D859-T1019 VanDerWaalsContact OD2-CG2 3.29Å; D859-T1019 WeakPolarHBondContact OD2-CG2 3.12Å; D859-T1019 PolarHBondContact OD2-OG1 2.91Å; D859-Y1022 HydrophobicContact CB-CD2 4.27Å; D859-Y1022 HydrophobicContact CB-CE2 4.39Å
860	S	65.9	Low	82.9	Confident	114 Å²	114	38.4 Å²	38.4	80%	0.797	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-4.3	-178.7	63.2	0	0	0	0	114.7	Q858	Q858-S860 PolarHBondContact O-N 2.81Å
861	T	77.1	Confident	82.9	Confident	66 Å²	66	34.1 Å²	34.1	41%	0.405	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.6	174.6	75.4	0	0	0	0	113.7	D859 G975	D859-T861 PolarHBondContact O-N 3.42Å; D859-T861 WeakPolarHBondContact OD1-CA 3.36Å; D859-T861 VanDerWaalsContact OD1-CB 3.29Å; D859-T861 WeakPolarHBondContact OD1-CB 3.47Å; D859-T861 WeakPolarHBondContact OD1-CG2 3.48Å; D859-T861 PolarHBondContact OD1-N 3.01Å; D859-T861 PolarHBondContact OD1-OG1 2.68Å; T861-G975 PolarHBondContact O-N 2.81Å
862	L	82.4	Confident	82.7	Confident	12 Å²	12	34.3 Å²	34.3	6%	0.063	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.2	178	-63.8	179	0	0	0	112.1	M855 V857 D859 I972 I1017 T1019 V1024	M855-L862 HydrophobicContact CE-CB 3.83Å; M855-L862 HydrophobicContact SD-CB 3.61Å; M855-L862 HydrophobicContact SD-CD1 4.46Å; V857-L862 HydrophobicContact CB-CD1 4.2Å; V857-L862 HydrophobicContact CG1-CD1 4.03Å; V857-L862 HydrophobicContact CG2-CD1 4.24Å; D859-L862 HydrophobicContact CB-CD1 4.27Å; D859-L862 HydrophobicContact CB-CG 4.38Å; D859-L862 PolarHBondContact O-N 2.7Å; D859-L862 VanDerWaalsContact O-N 3.15Å; L862-I972 HydrophobicContact CD2-CG2 4.46Å; L862-I1017 HydrophobicContact CD2-CG2 3.76Å; L862-T1019 HydrophobicContact CD1-CG2 4.01Å; L862-T1019 HydrophobicContact CD2-CG2 3.79Å; L862-T1019 HydrophobicContact CG-CG2 3.92Å; L862-V1024 HydrophobicContact CD1-CG1 4.18Å; L862-V1024 HydrophobicContact CD1-CG2 4.03Å; L862-V1024 HydrophobicContact CD2-CG2 4.18Å
863	D	86.5	Confident	82.4	Confident	18 Å²	18	35.9 Å²	35.9	10%	0.096	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	165.1	168.6	-169.6	13.4	0	0	0	109.5	K949 I972 C973 S976 C977	D863-K949 IonicContact OD1-NZ 2.78Å; D863-K949 PolarHBondContact OD1-NZ 2.96Å; D863-I972 WeakPolarHBondContact O-CG2 3.01Å; D863-C973 HydrophobicContact CB-CB 4.29Å; D863-C973 PolarHBondContact N-O 2.67Å; D863-C973 PolarHBondContact O-N 2.95Å; D863-S976 WeakPolarHBondContact OD2-CA 2.92Å; D863-C977 WeakPolarHBondContact OD2-CB 3.45Å; D863-C977 PolarHBondContact OD2-N 3.36Å
864	F	89.6	Confident	81.3	Confident	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.6	-179.4	74.7	-83.9	0	0	0	112.8	V829 W853 M855 V866 S947 K949 L970 I972 C977	V829-F864 HydrophobicContact CG1-CD2 4.18Å; V829-F864 HydrophobicContact CG1-CE2 4.14Å; V829-F864 HydrophobicContact CG1-CG 4.47Å; V829-F864 HydrophobicContact CG1-CZ 4.37Å; V829-F864 HydrophobicContact CG2-CB 4.06Å; V829-F864 HydrophobicContact CG2-CD1 4.32Å; V829-F864 HydrophobicContact CG2-CD2 4.4Å; V829-F864 HydrophobicContact CG2-CG 4Å; W853-F864 HydrophobicContact CB-CE2 3.44Å; W853-F864 VanDerWaalsContact CB-CE2 3.44Å; W853-F864 HydrophobicContact CB-CZ 3.61Å; W853-F864 HydrophobicContact CG-CE2 4.18Å; M855-F864 HydrophobicContact CB-CD1 4.08Å; M855-F864 HydrophobicContact CB-CE1 4.23Å; M855-F864 HydrophobicContact CE-CB 3.94Å; M855-F864 HydrophobicContact CE-CD1 4.01Å; M855-F864 HydrophobicContact CE-CG 4.44Å; F864-V866 HydrophobicContact CE2-CG2 4.22Å; F864-S947 WeakPolarHBondContact CE1-O 3.42Å; F864-K949 HydrophobicContact CD2-CD 4.45Å; F864-K949 HydrophobicContact CE1-CD 4.34Å; F864-K949 HydrophobicContact CE1-CG 4.14Å; F864-K949 VanDerWaalsContact CE1-NZ 3.35Å; F864-K949 HydrophobicContact CE2-CB 4.12Å; F864-K949 HydrophobicContact CE2-CD 3.89Å; F864-K949 HydrophobicContact CE2-CG 4.11Å; F864-K949 HydrophobicContact CZ-CB 3.75Å; F864-K949 HydrophobicContact CZ-CD 3.85Å; F864-K949 HydrophobicContact CZ-CG 3.62Å; F864-K949 WeakPolarHBondContact O-CE 3.25Å; F864-K949 PolarHBondContact O-NZ 3.18Å; F864-L970 HydrophobicContact CD2-CD2 4.47Å; F864-I972 HydrophobicContact CB-CD1 3.75Å; F864-C977 VanDerWaalsContact C-SG 3.58Å
865	F	88.9	Confident	80.3	Confident	17 Å²	17	38.5 Å²	38.5	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.5	-168.5	176.1	-80	0	0	0	110	K867 L970 D971 C977 Y992 G993 R994	F865-K867 HydrophobicContact CD1-CB 4.07Å; F865-K867 HydrophobicContact CE1-CB 4.08Å; F865-K867 HydrophobicContact CE1-CG 4.2Å; F865-K867 PolarHBondContact O-N 3.35Å; F865-L970 VanDerWaalsContact O-CA 3.23Å; F865-L970 WeakPolarHBondContact O-CA 3.45Å; F865-D971 HydrophobicContact CB-CB 4.32Å; F865-D971 WeakPolarHBondContact CB-O 3.35Å; F865-D971 HydrophobicContact CD1-CB 4.29Å; F865-D971 PolarHBondContact N-O 3.39Å; F865-D971 PolarHBondContact O-N 2.81Å; F865-D971 VanDerWaalsContact O-N 3.11Å; F865-C977 HydrophobicContact CB-CB 4.34Å; F865-C977 HydrophobicContact CD2-CB 4.27Å; F865-Y992 WeakPolarHBondContact CD2-O 3.19Å; F865-G993 VanDerWaalsContact CZ-CA 3.45Å; F865-R994 HydrophobicContact CE2-CB 3.82Å; F865-R994 HydrophobicContact CZ-CB 4.05Å
866	V	91.3	Very high	79	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	98.2	-178.7	-176.5	0	0	0	0	108.8	W853 F864 I923 G926 V941 L970 Y992	W853-V866 HydrophobicContact CD2-CG2 3.91Å; W853-V866 HydrophobicContact CE3-CG2 4.12Å; W853-V866 HydrophobicContact CG-CG2 4.28Å; W853-V866 HydrophobicContact CH2-CG1 4.38Å; W853-V866 HydrophobicContact CZ2-CG1 4.02Å; F864-V866 HydrophobicContact CE2-CG2 4.22Å; V866-I923 HydrophobicContact CG1-CD1 3.93Å; V866-G926 WeakPolarHBondContact O-CA 3.38Å; V866-V941 HydrophobicContact CB-CG1 4.34Å; V866-V941 HydrophobicContact CB-CG2 4.33Å; V866-V941 HydrophobicContact CG2-CG1 3.98Å; V866-L970 HydrophobicContact CB-CD2 4.29Å; V866-L970 HydrophobicContact CG1-CD2 4.38Å; V866-L970 HydrophobicContact CG2-CD2 3.94Å; V866-Y992 PolarHBondContact N-O 2.9Å
867	K	87.6	Confident	77.8	Confident	63 Å²	63	43.4 Å²	43.4	27%	0.274	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-53.6	-169.1	-167.7	-160	-157.3	86.4	0	112.4	F865 D925 G926 Q969 D971	F865-K867 HydrophobicContact CD1-CB 4.07Å; F865-K867 HydrophobicContact CE1-CB 4.08Å; F865-K867 HydrophobicContact CE1-CG 4.2Å; F865-K867 PolarHBondContact O-N 3.35Å; K867-D925 PolarHBondContact O-N 3.26Å; K867-G926 PolarHBondContact O-N 3.36Å; K867-Q969 VanDerWaalsContact CB-O 3.32Å; K867-Q969 WeakPolarHBondContact CB-O 3.37Å; K867-Q969 HydrophobicContact CD-CB 4.48Å; K867-Q969 PolarHBondContact N-O 3.43Å; K867-D971 IonicContact NZ-OD1 2.62Å; K867-D971 PolarHBondContact NZ-OD1 3.1Å; K867-D971 IonicContact NZ-OD2 2.62Å; K867-D971 PolarHBondContact NZ-OD2 3.28Å
868	Q	90.7	Very high	76.4	Confident	41 Å²	41	51.5 Å²	51.5	19%	0.192	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	141.3	-176.6	-175.9	-174.2	-26	0	0	109.1	V870 I923 C968 Q969	Q868-V870 HydrophobicContact CG-CG2 4.45Å; Q868-I923 CarbonylContact C-O 3.54Å; Q868-I923 VanDerWaalsContact CA-O 3.28Å; Q868-I923 WeakPolarHBondContact CA-O 3.26Å; Q868-I923 VanDerWaalsContact CG-O 3.29Å; Q868-I923 WeakPolarHBondContact CG-O 3.5Å; Q868-C968 CarbonylContact O-C 3.55Å; Q868-C968 VanDerWaalsContact O-CA 3.28Å; Q868-C968 WeakPolarHBondContact O-CA 3.5Å; Q868-Q969 PolarHBondContact N-O 3.1Å; Q868-Q969 PolarHBondContact O-N 3.34Å
869	C	93.8	Very high	75.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.6	172.5	-65.7	0	0	0	0	111.1	L922 I923 I967 C968	C869-L922 HydrophobicContact CB-CB 4.19Å; C869-L922 PolarHBondContact O-N 2.94Å; C869-I923 HydrophobicContact CB-CB 3.93Å; C869-I923 HydrophobicContact CB-CD1 4.3Å; C869-I923 HydrophobicContact CB-CG1 4.11Å; C869-I923 PolarHBondContact N-O 3.28Å; C869-I923 PolarHBondContact O-N 3.06Å; C869-I967 CarbonylContact C-O 3.56Å; C869-I967 WeakPolarHBondContact CA-O 3.41Å; C869-C968 HydrophobicContact CB-CB 4.18Å; C869-C968 WeakPolarHBondContact CB-SG 3.5Å; C869-C968 WeakPolarHBondContact SG-CB 3.21Å; C869-C968 CovalentContact SG-SG 2.04Å; C869-C968 PolarHBondContact SG-SG 3.44Å
870	V	92.1	Very high	74.2	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133	-178.5	-177.3	0	0	0	0	109.2	Q868 T919 L920 I966 I967	Q868-V870 HydrophobicContact CG-CG2 4.45Å; V870-T919 HydrophobicContact CG1-CG2 4.24Å; V870-L920 CarbonylContact C-O 3.54Å; V870-L920 WeakPolarHBondContact CA-O 3.34Å; V870-I966 WeakPolarHBondContact O-CA 3.12Å; V870-I967 PolarHBondContact N-O 3.5Å; V870-I967 PolarHBondContact O-N 3.44Å
871	A	90.2	Very high	73.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	147.3	171.7	0	0	0	0	0	111.7	T919 L920 L922 F956 F958 R965 I966	A871-T919 CarbonylContact O-C 3.5Å; A871-T919 WeakPolarHBondContact O-CA 3.25Å; A871-L920 HydrophobicContact CB-CB 4.45Å; A871-L920 PolarHBondContact N-O 3.4Å; A871-L920 PolarHBondContact O-N 3.4Å; A871-L922 HydrophobicContact CB-CD1 4.08Å; A871-L922 HydrophobicContact CB-CG 4.17Å; A871-F956 HydrophobicContact CB-CE2 4.2Å; A871-F956 HydrophobicContact CB-CZ 3.62Å; A871-F958 HydrophobicContact CB-CE2 4.27Å; A871-F958 HydrophobicContact CB-CZ 4.21Å; A871-F958 WeakPolarHBondContact O-CZ 3.42Å; A871-R965 CarbonylContact C-O 3.52Å; A871-R965 WeakPolarHBondContact CA-O 3.4Å; A871-I966 HydrophobicContact CB-CG1 4.03Å
872	E	87.3	Confident	71.3	Confident	4 Å²	4	40.9 Å²	40.9	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	173.2	179.2	62.8	177.8	155.7	0	0	111.3	P880 T919 F958 R965 I967	E872-P880 WeakPolarHBondContact OE2-CD 3.37Å; E872-T919 HydrophobicContact CB-CG2 4.3Å; E872-F958 VanDerWaalsContact CA-CE2 3.47Å; E872-F958 WeakPolarHBondContact O-CE2 3.38Å; E872-R965 HydrophobicContact CG-CB 4.02Å; E872-R965 HydrophobicContact CG-CG 4.35Å; E872-R965 PolarHBondContact N-O 2.93Å; E872-R965 PolarHBondContact O-N 3.25Å; E872-R965 IonicContact OE1-CZ 2.69Å; E872-R965 IonicContact OE1-NE 2.72Å; E872-R965 PolarHBondContact OE1-NE 3.41Å; E872-R965 IonicContact OE1-NH2 2.74Å; E872-R965 PolarHBondContact OE1-NH2 2.82Å; E872-R965 IonicContact OE2-CZ 3.67Å; E872-R965 IonicContact OE2-NH2 3.21Å; E872-R965 PolarHBondContact OE2-NH2 3.29Å; E872-I967 WeakPolarHBondContact OE1-CD1 3.2Å
873	R	82.5	Confident	69.1	Low	76 Å²	76	44 Å²	44	29%	0.287	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130.1	175	-59	174.3	72	107.1	7.1	110	D875 S876 F958 D959 G960 S961	R873-D875 VanDerWaalsContact C-N 3.28Å; R873-D875 PolarHBondContact O-N 2.74Å; R873-S876 VanDerWaalsContact O-CB 3.31Å; R873-S876 WeakPolarHBondContact O-CB 3.25Å; R873-S876 PolarHBondContact O-N 3.26Å; R873-S876 PolarHBondContact O-OG 3.41Å; R873-F958 HydrophobicContact CG-CB 3.87Å; R873-F958 HydrophobicContact CG-CD2 4.19Å; R873-F958 HydrophobicContact CG-CG 3.97Å; R873-D959 PolarHBondContact NH1-O 3.24Å; R873-D959 PolarHBondContact NH2-O 3Å; R873-G960 PolarHBondContact NH2-O 3.3Å; R873-S961 WeakPolarHBondContact CB-OG 3.27Å
874	G	69.7	Low	66.8	Low	20 Å²	20	47.8 Å²	47.8	21%	0.206	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-36.9	174.5	0	0	0	0	0	112.1	S876 T963 R965	G874-S876 PolarHBondContact O-N 3.29Å; G874-T963 WeakPolarHBondContact CA-OG1 3.1Å; G874-T963 PolarHBondContact N-O 3.33Å; G874-T963 PolarHBondContact N-OG1 2.71Å; G874-R965 PolarHBondContact O-NH1 2.83Å
875	D	63.9	Low	64.3	Low	93 Å²	93	58 Å²	58	50%	0.497	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	15.9	-179.8	-41.9	-41.5	0	0	0	113.8	R873 P877 S961 T963	R873-D875 VanDerWaalsContact C-N 3.28Å; R873-D875 PolarHBondContact O-N 2.74Å; D875-P877 VanDerWaalsContact O-CD 3.31Å; D875-P877 WeakPolarHBondContact O-CD 3.01Å; D875-S961 PolarHBondContact OD2-OG 2.61Å; D875-T963 PolarHBondContact N-OG1 2.97Å; D875-T963 WeakPolarHBondContact OD1-CG2 3.22Å; D875-T963 PolarHBondContact OD1-OG1 2.85Å; D875-T963 PolarHBondContact OD2-OG1 2.84Å; D875-T963 VanDerWaalsContact OD2-OG1 3.12Å
876	S	52.3	Low	62	Low	18 Å²	18	62.5 Å²	62.5	13%	0.126	33%	0.331	C	S	.	.			trans	-75.2	116.9	-176.8	46.7	0	0	0	0	112	R873 G874 K878 R965	R873-S876 VanDerWaalsContact O-CB 3.31Å; R873-S876 WeakPolarHBondContact O-CB 3.25Å; R873-S876 PolarHBondContact O-N 3.26Å; R873-S876 PolarHBondContact O-OG 3.41Å; G874-S876 PolarHBondContact O-N 3.29Å; S876-K878 PolarHBondContact O-N 3Å; S876-R965 VanDerWaalsContact OG-CZ 3.22Å; S876-R965 PolarHBondContact OG-NH1 2.99Å; S876-R965 VanDerWaalsContact OG-NH1 3.14Å; S876-R965 PolarHBondContact OG-NH2 2.85Å
877	P	44	Very low	59.3	Low	134 Å²	134	65.4 Å²	65.4	87%	0.87	36%	0.36	S	S	*	.	S	Bend	trans	-69.1	-8.3	-172.7	-23.3	35.5	0	0	0	115.9	D875	D875-P877 VanDerWaalsContact O-CD 3.31Å; D875-P877 WeakPolarHBondContact O-CD 3.01Å
878	K	41.6	Very low	57	Low	175 Å²	175	65.7 Å²	65.7	76%	0.761	37%	0.368	S	S	*	.	S	Bend	trans	-143.4	134.2	172.8	-63.5	-176.7	-178.7	178.2	0	107.4	S876	S876-K878 PolarHBondContact O-N 3Å
879	S	38.7	Very low	54.8	Low	50 Å²	50	69.5 Å²	69.5	35%	0.35	38%	0.383	S	S	.	.			trans	-68.1	144.1	166.9	-168.3	0	0	0	0	108.9	Y881	S879-Y881 PolarHBondContact O-N 2.04Å; S879-Y881 VanDerWaalsContact O-N 3.14Å; S879-Y881 PolarHBondContact OG-N 3.18Å
880	P	42.3	Very low	52.3	Low	23 Å²	23	74.9 Å²	74.9	15%	0.149	41%	0.409	C	S	.	.	S	Bend	trans	-66.1	-8.2	170.6	29.5	-37	0	0	0	112.4	E872 L891 V892	E872-P880 WeakPolarHBondContact OE2-CD 3.37Å; P880-L891 HydrophobicContact CB-CD1 3.8Å; P880-L891 HydrophobicContact CG-CD1 3.78Å; P880-L891 WeakPolarHBondContact O-CA 3.34Å; P880-V892 PolarHBondContact O-N 3Å
881	Y	42	Very low	49.9	Very low	20 Å²	20	77.6 Å²	77.6	8%	0.078	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115	170.7	-66.6	-81.1	0	0	0	111.4	S879 K889 E890 L891 I967	S879-Y881 PolarHBondContact O-N 2.04Å; S879-Y881 VanDerWaalsContact O-N 3.14Å; S879-Y881 PolarHBondContact OG-N 3.18Å; Y881-K889 HydrophobicContact CD1-CB 3.93Å; Y881-K889 WeakPolarHBondContact CD1-O 3.4Å; Y881-K889 HydrophobicContact CG-CB 4.17Å; Y881-E890 VanDerWaalsContact CA-O 3.32Å; Y881-E890 WeakPolarHBondContact CA-O 3.47Å; Y881-L891 HydrophobicContact CD1-CB 4.28Å; Y881-L891 HydrophobicContact CD1-CD1 4.27Å; Y881-L891 HydrophobicContact CD2-CD1 4.11Å; Y881-L891 HydrophobicContact CE1-CB 3.98Å; Y881-L891 HydrophobicContact CE1-CD1 3.87Å; Y881-L891 HydrophobicContact CE2-CD1 3.67Å; Y881-L891 HydrophobicContact CG-CD1 4.41Å; Y881-I967 HydrophobicContact CD2-CD1 3.74Å; Y881-I967 HydrophobicContact CE2-CB 4.12Å; Y881-I967 HydrophobicContact CE2-CD1 3.56Å; Y881-I967 HydrophobicContact CE2-CG1 4.42Å; Y881-I967 HydrophobicContact CE2-CG2 3.65Å
882	V	39.5	Very low	47.7	Very low	85 Å²	85	82.8 Å²	82.8	52%	0.515	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121	166.8	179.4	0	0	0	0	108.2	E890 V892	V882-E890 PolarHBondContact N-O 3.23Å; V882-E890 VanDerWaalsContact N-O 3.09Å; V882-E890 PolarHBondContact O-N 2.92Å; V882-V892 HydrophobicContact CG2-CG2 4.02Å
883	S	36.4	Very low	45.4	Very low	76 Å²	76	86 Å²	86	53%	0.531	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.7	166.5	-59.6	0	0	0	0	109.4	T888 K889	S883-T888 WeakPolarHBondContact CA-O 3.38Å; S883-K889 WeakPolarHBondContact OG-CE 3.42Å
884	K	39.4	Very low	43	Very low	99 Å²	99	86.4 Å²	86.4	43%	0.43	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-87.1	167.5	166.9	-74.5	169.6	177.7	168.7	0	110.3	D886 G887 T888 E890	K884-D886 VanDerWaalsContact CB-OD1 3.24Å; K884-D886 WeakPolarHBondContact CB-OD1 3.47Å; K884-D886 PolarHBondContact O-N 3.27Å; K884-D886 VanDerWaalsContact O-N 3.15Å; K884-G887 PolarHBondContact O-N 3.05Å; K884-T888 PolarHBondContact N-O 2.74Å; K884-E890 WeakPolarHBondContact CE-OE2 3.36Å; K884-E890 IonicContact NZ-OE2 2.77Å; K884-E890 PolarHBondContact NZ-OE2 2.89Å
885	E	37	Very low	41.2	Very low	215 Å²	215	91.2 Å²	91.2	100%	1.005	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.1	-179.2	-63.5	-179.8	129.8	0	0	113.4	G887	E885-G887 VanDerWaalsContact C-N 3.35Å
886	D	40.1	Very low	39.5	Very low	112 Å²	112	90.5 Å²	90.5	60%	0.599	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	3.3	172.4	59.2	21.4	0	0	0	113.9	K884 T888	K884-D886 VanDerWaalsContact CB-OD1 3.24Å; K884-D886 WeakPolarHBondContact CB-OD1 3.47Å; K884-D886 PolarHBondContact O-N 3.27Å; K884-D886 VanDerWaalsContact O-N 3.15Å; D886-T888 PolarHBondContact O-N 3.5Å; D886-T888 VanDerWaalsContact OD1-CB 3.24Å; D886-T888 WeakPolarHBondContact OD1-CB 3.05Å; D886-T888 WeakPolarHBondContact OD1-CG2 3.24Å; D886-T888 PolarHBondContact OD1-N 2.74Å; D886-T888 PolarHBondContact OD1-OG1 3.2Å; D886-T888 PolarHBondContact OD2-OG1 3.37Å
887	G	34.1	Very low	38.6	Very low	60 Å²	60	101 Å²	101	62%	0.619	59%	0.592	S	S	*	*	S	Bend	trans	79.2	-4.5	-177.2	0	0	0	0	0	115	K884 E885	K884-G887 PolarHBondContact O-N 3.05Å; E885-G887 VanDerWaalsContact C-N 3.35Å
888	T	40.1	Very low	37.8	Very low	70 Å²	70	98.6 Å²	98.6	43%	0.429	59%	0.591	S	S	.	*			trans	-72.1	149.6	177.5	68.1	0	0	0	0	111.6	S883 K884 D886	S883-T888 WeakPolarHBondContact CA-O 3.38Å; K884-T888 PolarHBondContact N-O 2.74Å; D886-T888 PolarHBondContact O-N 3.5Å; D886-T888 VanDerWaalsContact OD1-CB 3.24Å; D886-T888 WeakPolarHBondContact OD1-CB 3.05Å; D886-T888 WeakPolarHBondContact OD1-CG2 3.24Å; D886-T888 PolarHBondContact OD1-N 2.74Å; D886-T888 PolarHBondContact OD1-OG1 3.2Å; D886-T888 PolarHBondContact OD2-OG1 3.37Å
889	K	43	Very low	37.5	Very low	121 Å²	121	95.3 Å²	95.3	53%	0.526	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	112.8	-176.4	-88.7	176.4	-177.4	169.8	0	109.6	Y881 S883	Y881-K889 HydrophobicContact CD1-CB 3.93Å; Y881-K889 WeakPolarHBondContact CD1-O 3.4Å; Y881-K889 HydrophobicContact CG-CB 4.17Å; S883-K889 WeakPolarHBondContact OG-CE 3.42Å
890	E	42	Very low	37.1	Very low	113 Å²	113	102.6 Å²	102.6	53%	0.528	62%	0.622	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	132.6	-175.8	-172.8	171.6	-162.5	0	0	112.4	Y881 V882 K884	Y881-E890 VanDerWaalsContact CA-O 3.32Å; Y881-E890 WeakPolarHBondContact CA-O 3.47Å; V882-E890 PolarHBondContact N-O 3.23Å; V882-E890 VanDerWaalsContact N-O 3.09Å; V882-E890 PolarHBondContact O-N 2.92Å; K884-E890 WeakPolarHBondContact CE-OE2 3.36Å; K884-E890 IonicContact NZ-OE2 2.77Å; K884-E890 PolarHBondContact NZ-OE2 2.89Å
891	L	41.3	Very low	36.6	Very low	65 Å²	65	109.7 Å²	109.7	34%	0.34	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.9	123.4	-175	-163.7	89.9	0	0	0	111.3	P880 Y881 G893	P880-L891 HydrophobicContact CB-CD1 3.8Å; P880-L891 HydrophobicContact CG-CD1 3.78Å; P880-L891 WeakPolarHBondContact O-CA 3.34Å; Y881-L891 HydrophobicContact CD1-CB 4.28Å; Y881-L891 HydrophobicContact CD1-CD1 4.27Å; Y881-L891 HydrophobicContact CD2-CD1 4.11Å; Y881-L891 HydrophobicContact CE1-CB 3.98Å; Y881-L891 HydrophobicContact CE1-CD1 3.87Å; Y881-L891 HydrophobicContact CE2-CD1 3.67Å; Y881-L891 HydrophobicContact CG-CD1 4.41Å; L891-G893 PolarHBondContact O-N 3.4Å
892	V	45.2	Very low	36.3	Very low	109 Å²	109	113.1 Å²	113.1	66%	0.661	69%	0.69	S	S	*	*			trans	-71.3	95.6	-178.9	-176.9	0	0	0	0	111.9	P880 V882 G894	P880-V892 PolarHBondContact O-N 3Å; V882-V892 HydrophobicContact CG2-CG2 4.02Å; V892-G894 PolarHBondContact O-N 3.27Å
893	G	38.3	Very low	36.1	Very low	72 Å²	72	112.6 Å²	112.6	74%	0.742	70%	0.702	S	S	*	*			trans	-82.4	97.8	178.6	0	0	0	0	0	113.7	L891 S895	L891-G893 PolarHBondContact O-N 3.4Å; G893-S895 PolarHBondContact O-N 2.78Å
894	G	31.2	Very low	36	Very low	84 Å²	84	115.4 Å²	115.4	87%	0.866	72%	0.72	S	S	*	*			trans	-79.8	113.6	171.7	0	0	0	0	0	112.5	V892	V892-G894 PolarHBondContact O-N 3.27Å
895	S	32.6	Very low	35.8	Very low	121 Å²	121	117.4 Å²	117.4	85%	0.846	74%	0.741	S	S	*	*			trans	-126	138.1	167.7	-168.4	0	0	0	0	110.3	G893	G893-S895 PolarHBondContact O-N 2.78Å
896	A	27.9	Very low	35.8	Very low	79 Å²	79	112.1 Å²	112.1	65%	0.653	73%	0.734	S	S	*	*			trans	-86.4	147	176.8	0	0	0	0	0	110.9
897	Y	33	Very low	35.4	Very low	239 Å²	239	115.7 Å²	115.7	94%	0.937	75%	0.747	S	S	*	*				-179.1	136.7	122.8	-93.3	-63.2	0	0	0	110
898	G	29.1	Very low	35.5	Very low	82 Å²	82	121.7 Å²	121.7	85%	0.845	76%	0.761	S	S	*	*			trans	-75	157.7	-155	0	0	0	0	0	118.7
899	A	33.9	Very low	35.3	Very low	106 Å²	106	123.9 Å²	123.9	88%	0.876	78%	0.778	S	S	*	*			trans	-134.5	136.7	152.4	0	0	0	0	0	108.8
900	K	30.9	Very low	35.3	Very low	204 Å²	204	124.2 Å²	124.2	89%	0.887	79%	0.793	S	S	*	*			trans	-92.9	140	170.8	-86.6	-178.9	172.6	178.6	0	109.5
901	L	32	Very low	35	Very low	171 Å²	171	125.1 Å²	125.1	90%	0.895	81%	0.805	S	S	*	*			trans	170.5	154.3	133.5	-112.3	71.8	0	0	0	108.2
902	A	35.1	Very low	34.8	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	83%	0.832	S	S	*	*			cis	-163.8	147.7	-43.5	0	0	0	0	0	108.8
903	G	35.6	Very low	34.5	Very low	73 Å²	73	137.2 Å²	137.2	75%	0.753	84%	0.843	S	S	*	*			trans	83.5	91	158.3	0	0	0	0	0	118.3
904	C	33.9	Very low	34.6	Very low	136 Å²	136	138 Å²	138	92%	0.919	84%	0.843	S	S	*	*				-161.5	147.6	128.7	-99.6	0	0	0	0	109.4
905	T	35.1	Very low	35	Very low	140 Å²	140	139.7 Å²	139.7	86%	0.859	84%	0.838	S	S	*	*			trans	-138.6	102.2	-167.7	50.8	0	0	0	0	112.4
906	A	36.5	Very low	35.7	Very low	104 Å²	104	141.9 Å²	141.9	86%	0.86	84%	0.838	S	S	*	*			trans	-158.2	151.6	159.9	0	0	0	0	0	108.2
907	E	31.6	Very low	36.9	Very low	188 Å²	188	141 Å²	141	88%	0.879	83%	0.825	S	S	*	*			trans	-90.1	172.7	-172.5	-63.7	-180	111.9	0	0	113.2
908	M	37.7	Very low	38.4	Very low	185 Å²	185	132.1 Å²	132.1	91%	0.911	80%	0.798	S	S	*	*			trans	74.5	66.4	169.8	-56.4	169.9	62.7	0	0	117.2
909	C	35	Very low	40.8	Very low	116 Å²	116	131.4 Å²	131.4	78%	0.784	78%	0.777	S	S	*	*			trans	-133.9	131	151.1	-81.6	0	0	0	0	109.9	V911	C909-V911 PolarHBondContact O-N 3.12Å
910	P	42.4	Very low	43.4	Very low	129 Å²	129	128.6 Å²	128.6	84%	0.838	75%	0.747	S	S	*	*			trans	-75.6	118.4	176.7	30.2	-32.4	0	0	0	110.5	E912	P910-E912 PolarHBondContact O-N 3.02Å
911	V	37	Very low	46.2	Very low	131 Å²	131	123 Å²	123	79%	0.794	72%	0.723	S	S	*	*			trans	-78.9	110.4	177.3	179.9	0	0	0	0	109.7	C909 R913	C909-V911 PolarHBondContact O-N 3.12Å; V911-R913 PolarHBondContact O-N 2.95Å; V911-R913 VanDerWaalsContact O-N 3.08Å
912	E	37.3	Very low	49.1	Very low	191 Å²	191	114.8 Å²	114.8	89%	0.893	68%	0.68	S	S	*	*			trans	-61.9	109.1	169.6	-71.2	-166.4	126	0	0	110.3	P910 A914	P910-E912 PolarHBondContact O-N 3.02Å; E912-A914 PolarHBondContact O-N 3.41Å
913	R	39.3	Very low	51.8	Low	238 Å²	238	110.4 Å²	110.4	90%	0.898	64%	0.643	S	S	*	*			trans	-76.8	114.2	165.5	-74.3	-178.2	172.5	177.4	-2	108.6	V911	V911-R913 PolarHBondContact O-N 2.95Å; V911-R913 VanDerWaalsContact O-N 3.08Å
914	A	40.5	Very low	54.3	Low	89 Å²	89	110.9 Å²	110.9	74%	0.736	63%	0.626	S	S	*	*			trans	-55.5	134.8	170.3	0	0	0	0	0	110.3	E912 I916	E912-A914 PolarHBondContact O-N 3.41Å; A914-I916 PolarHBondContact O-N 2.81Å
915	P	39.4	Very low	56.8	Low	118 Å²	118	107.7 Å²	107.7	77%	0.766	60%	0.6	S	S	*	*			trans	-69.3	131.2	-177	27.5	-34.2	0	0	0	110.9	V917	P915-V917 PolarHBondContact O-N 3.48Å; P915-V917 VanDerWaalsContact O-N 3.13Å
916	I	46.2	Very low	59.1	Low	167 Å²	167	101 Å²	101	86%	0.856	56%	0.559	S	S	*	*			trans	-73	105	175.3	-58.2	172.9	0	0	0	108	A914 S918	A914-I916 PolarHBondContact O-N 2.81Å; I916-S918 PolarHBondContact O-N 3.27Å
917	V	53.8	Low	61.6	Low	60 Å²	60	97.5 Å²	97.5	36%	0.364	53%	0.528	S	S	.	.			trans	-72	118.6	176.8	-177.3	0	0	0	0	109.3	P915 T919	P915-V917 PolarHBondContact O-N 3.48Å; P915-V917 VanDerWaalsContact O-N 3.13Å; V917-T919 HydrophobicContact CG1-CG2 4.18Å; V917-T919 PolarHBondContact O-N 2.86Å
918	S	64.6	Low	64.4	Low	53 Å²	53	89 Å²	89	37%	0.371	49%	0.489	S	S	.	.			trans	-74.3	106.6	178.2	59.4	0	0	0	0	111.1	I916	I916-S918 PolarHBondContact O-N 3.27Å
919	T	79.5	Confident	66.9	Low	68 Å²	68	80.8 Å²	80.8	42%	0.417	45%	0.449	S	S	.	.			trans	-116.3	139.8	177.7	60.5	0	0	0	0	112	V870 A871 E872 V917	V870-T919 HydrophobicContact CG1-CG2 4.24Å; A871-T919 CarbonylContact O-C 3.5Å; A871-T919 WeakPolarHBondContact O-CA 3.25Å; E872-T919 HydrophobicContact CB-CG2 4.3Å; V917-T919 HydrophobicContact CG1-CG2 4.18Å; V917-T919 PolarHBondContact O-N 2.86Å
920	L	88.4	Confident	69.3	Low	46 Å²	46	81.6 Å²	81.6	24%	0.241	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.7	176	176.9	63.6	0	0	0	110.4	V870 A871 L922 V932 L936 F956 F958	V870-L920 CarbonylContact C-O 3.54Å; V870-L920 WeakPolarHBondContact CA-O 3.34Å; A871-L920 HydrophobicContact CB-CB 4.45Å; A871-L920 PolarHBondContact N-O 3.4Å; A871-L920 PolarHBondContact O-N 3.4Å; L920-L922 HydrophobicContact CD2-CD2 3.94Å; L920-L922 HydrophobicContact CG-CD2 4.17Å; L920-L922 PolarHBondContact O-N 2.8Å; L920-V932 HydrophobicContact CD1-CG1 3.94Å; L920-V932 HydrophobicContact CD2-CG1 4.1Å; L920-V932 HydrophobicContact CG-CG1 4.16Å; L920-L936 HydrophobicContact CD2-CD1 3.84Å; L920-F956 HydrophobicContact CD2-CE2 4.25Å; L920-F956 HydrophobicContact CD2-CZ 4.4Å; L920-F958 HydrophobicContact CB-CE1 4.39Å; L920-F958 HydrophobicContact CB-CZ 4.15Å
921	K	90.1	Very high	71.3	Confident	86 Å²	86	78.8 Å²	78.8	37%	0.374	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.4	170.4	-70.4	-171.6	179.7	-179.9	0	110.1	E924 T929	K921-E924 VanDerWaalsContact NZ-CD 3.25Å; K921-E924 IonicContact NZ-OE1 2.59Å; K921-E924 PolarHBondContact NZ-OE1 2.91Å; K921-E924 IonicContact NZ-OE2 2.63Å; K921-E924 PolarHBondContact NZ-OE2 2.82Å; K921-T929 HydrophobicContact CB-CG2 3.76Å; K921-T929 WeakPolarHBondContact O-CG2 3.48Å; K921-T929 PolarHBondContact O-OG1 2.81Å
922	L	92	Very high	73.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-50.2	175.3	-63.8	-176.8	0	0	0	111.2	C869 A871 L920 P928 T929 V932 M937 L953 F956 I966	C869-L922 HydrophobicContact CB-CB 4.19Å; C869-L922 PolarHBondContact O-N 2.94Å; A871-L922 HydrophobicContact CB-CD1 4.08Å; A871-L922 HydrophobicContact CB-CG 4.17Å; L920-L922 HydrophobicContact CD2-CD2 3.94Å; L920-L922 HydrophobicContact CG-CD2 4.17Å; L920-L922 PolarHBondContact O-N 2.8Å; L922-P928 WeakPolarHBondContact O-CA 3.42Å; L922-T929 PolarHBondContact O-N 2.84Å; L922-V932 HydrophobicContact CD2-CG1 4.24Å; L922-V932 WeakPolarHBondContact O-CG2 3.28Å; L922-M937 HydrophobicContact CB-SD 3.85Å; L922-L953 HydrophobicContact CD1-CD1 4.22Å; L922-L953 HydrophobicContact CD2-CD1 4.49Å; L922-F956 HydrophobicContact CD2-CE1 4.39Å; L922-F956 HydrophobicContact CD2-CZ 4.44Å; L922-I966 HydrophobicContact CD1-CD1 3.91Å; L922-I966 HydrophobicContact CD1-CG1 4.24Å; L922-I966 HydrophobicContact CD1-CG2 4.01Å
923	I	92.2	Very high	75.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.2	-177.1	-58.2	-178.7	0	0	0	109.1	W853 V866 Q868 C869 G926 C927 M937 V941	W853-I923 HydrophobicContact CH2-CD1 4.11Å; V866-I923 HydrophobicContact CG1-CD1 3.93Å; Q868-I923 CarbonylContact C-O 3.54Å; Q868-I923 VanDerWaalsContact CA-O 3.28Å; Q868-I923 WeakPolarHBondContact CA-O 3.26Å; Q868-I923 VanDerWaalsContact CG-O 3.29Å; Q868-I923 WeakPolarHBondContact CG-O 3.5Å; C869-I923 HydrophobicContact CB-CB 3.93Å; C869-I923 HydrophobicContact CB-CD1 4.3Å; C869-I923 HydrophobicContact CB-CG1 4.11Å; C869-I923 PolarHBondContact N-O 3.28Å; C869-I923 PolarHBondContact O-N 3.06Å; I923-G926 VanDerWaalsContact CG2-CA 3.44Å; I923-C927 WeakPolarHBondContact CA-O 3.3Å; I923-M937 HydrophobicContact CD1-CE 4.07Å; I923-M937 HydrophobicContact CD1-SD 4.24Å; I923-M937 HydrophobicContact CG1-CE 4.24Å; I923-M937 HydrophobicContact CG1-SD 3.77Å; I923-V941 HydrophobicContact CD1-CG2 3.76Å
924	E	88.6	Confident	77.9	Confident	84 Å²	84	59.4 Å²	59.4	39%	0.393	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.3	175	179.7	156.9	-133.9	0	0	109.7	K921 G926 C927 T929	K921-E924 VanDerWaalsContact NZ-CD 3.25Å; K921-E924 IonicContact NZ-OE1 2.59Å; K921-E924 PolarHBondContact NZ-OE1 2.91Å; K921-E924 IonicContact NZ-OE2 2.63Å; K921-E924 PolarHBondContact NZ-OE2 2.82Å; E924-G926 PolarHBondContact O-N 3.08Å; E924-C927 PolarHBondContact N-O 3.26Å; E924-C927 PolarHBondContact O-N 3.2Å; E924-C927 VanDerWaalsContact O-N 3.15Å; E924-T929 HydrophobicContact CB-CG2 3.73Å
925	D	85.1	Confident	80	Confident	69 Å²	69	62.1 Å²	62.1	37%	0.369	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.7	51.6	-164.1	-79.6	6.6	0	0	0	110.6	K867 C927 G993	K867-D925 PolarHBondContact O-N 3.26Å; D925-C927 PolarHBondContact O-N 3.09Å; D925-G993 CarbonylContact C-O 3.58Å; D925-G993 VanDerWaalsContact C-O 3.26Å
926	G	83.5	Confident	82.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	14.1	-179.6	0	0	0	0	0	118.5	V866 K867 I923 E924 S991	V866-G926 WeakPolarHBondContact O-CA 3.38Å; K867-G926 PolarHBondContact O-N 3.36Å; I923-G926 VanDerWaalsContact CG2-CA 3.44Å; E924-G926 PolarHBondContact O-N 3.08Å; G926-S991 WeakPolarHBondContact O-CB 3.46Å; G926-S991 PolarHBondContact O-OG 3.47Å
927	C	90.2	Very high	84.4	Confident	29 Å²	29	50.5 Å²	50.5	20%	0.196	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	147.6	167	-66.1	0	0	0	0	110	I923 E924 D925 T929 C982	I923-C927 WeakPolarHBondContact CA-O 3.3Å; E924-C927 PolarHBondContact N-O 3.26Å; E924-C927 PolarHBondContact O-N 3.2Å; E924-C927 VanDerWaalsContact O-N 3.15Å; D925-C927 PolarHBondContact O-N 3.09Å; C927-T929 PolarHBondContact O-N 2.97Å; C927-C982 WeakPolarHBondContact CA-SG 3.28Å; C927-C982 HydrophobicContact CB-CB 3.96Å; C927-C982 WeakPolarHBondContact CB-SG 3.48Å; C927-C982 VanDerWaalsContact SG-CA 3.6Å; C927-C982 WeakPolarHBondContact SG-CB 3.17Å; C927-C982 CovalentContact SG-SG 2.04Å; C927-C982 PolarHBondContact SG-SG 2.92Å
928	P	90.6	Very high	85.9	Confident	11 Å²	11	50.6 Å²	50.6	7%	0.071	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	134.7	164.8	-26	36	0	0	0	110.9	L922 V932 A933 M937 G939 I984	L922-P928 WeakPolarHBondContact O-CA 3.42Å; P928-V932 HydrophobicContact CB-CG2 4.4Å; P928-A933 HydrophobicContact CB-CB 4.24Å; P928-M937 HydrophobicContact CB-CB 3.95Å; P928-M937 HydrophobicContact CG-CB 4.25Å; P928-G939 WeakPolarHBondContact CG-O 3.31Å; P928-I984 HydrophobicContact CG-CD1 3.92Å
929	T	89	Confident	86.9	Confident	11 Å²	11	48.3 Å²	48.3	7%	0.067	27%	0.27	C	S	.	.			trans	-70.1	151.8	-178.2	77.6	0	0	0	0	111.4	K921 L922 E924 C927 A931 V932 A933	K921-T929 HydrophobicContact CB-CG2 3.76Å; K921-T929 WeakPolarHBondContact O-CG2 3.48Å; K921-T929 PolarHBondContact O-OG1 2.81Å; L922-T929 PolarHBondContact O-N 2.84Å; E924-T929 HydrophobicContact CB-CG2 3.73Å; C927-T929 PolarHBondContact O-N 2.97Å; T929-A931 PolarHBondContact O-N 2.81Å; T929-V932 WeakPolarHBondContact O-CG2 3.45Å; T929-V932 PolarHBondContact O-N 2.81Å; T929-A933 WeakPolarHBondContact O-CB 3.29Å; T929-A933 PolarHBondContact O-N 2.88Å
930	P	85.3	Confident	87.4	Confident	133 Å²	133	45.1 Å²	45.1	86%	0.864	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-12.5	-180	-26.7	35.7	0	0	0	115.7
931	A	84.2	Confident	87.5	Confident	71 Å²	71	43 Å²	43	59%	0.587	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-23.8	174	0	0	0	0	0	113.5	T929	T929-A931 PolarHBondContact O-N 2.81Å
932	V	89.3	Confident	87.4	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-20.1	-175.6	-56.8	0	0	0	0	114.2	L920 L922 P928 T929 K935 L936 M937	L920-V932 HydrophobicContact CD1-CG1 3.94Å; L920-V932 HydrophobicContact CD2-CG1 4.1Å; L920-V932 HydrophobicContact CG-CG1 4.16Å; L922-V932 HydrophobicContact CD2-CG1 4.24Å; L922-V932 WeakPolarHBondContact O-CG2 3.28Å; P928-V932 HydrophobicContact CB-CG2 4.4Å; T929-V932 WeakPolarHBondContact O-CG2 3.45Å; T929-V932 PolarHBondContact O-N 2.81Å; V932-K935 CarbonylContact O-C 3.53Å; V932-K935 PolarHBondContact O-N 3.29Å; V932-K935 VanDerWaalsContact O-N 3.12Å; V932-L936 HydrophobicContact CB-CB 4.23Å; V932-L936 HydrophobicContact CG1-CD1 4.39Å; V932-L936 PolarHBondContact O-N 3.06Å; V932-M937 HydrophobicContact CG2-CB 4.15Å; V932-M937 HydrophobicContact CG2-CG 4.26Å; V932-M937 PolarHBondContact O-N 2.88Å
933	A	82.5	Confident	87.1	Confident	20 Å²	20	46.3 Å²	46.3	17%	0.165	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-53.4	143.8	170.4	0	0	0	0	0	110.4	P928 T929 K935	P928-A933 HydrophobicContact CB-CB 4.24Å; T929-A933 WeakPolarHBondContact O-CB 3.29Å; T929-A933 PolarHBondContact O-N 2.88Å; A933-K935 PolarHBondContact O-N 3.04Å
934	E	80.7	Confident	86.7	Confident	130 Å²	130	51.8 Å²	51.8	61%	0.607	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	7.6	-176.5	-55.5	173.7	-166.2	0	0	114.6	I984 G985	E934-I984 HydrophobicContact CG-CG2 3.96Å; E934-G985 VanDerWaalsContact OE1-CA 3.25Å; E934-G985 WeakPolarHBondContact OE1-CA 3.48Å; E934-G985 PolarHBondContact OE1-N 2.96Å
935	K	84.8	Confident	86.3	Confident	147 Å²	147	50.1 Å²	50.1	64%	0.639	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	-102	178.1	-63.6	176.2	-174.9	170.2	0	110.6	V932 A933 M937	V932-K935 CarbonylContact O-C 3.53Å; V932-K935 PolarHBondContact O-N 3.29Å; V932-K935 VanDerWaalsContact O-N 3.12Å; A933-K935 PolarHBondContact O-N 3.04Å; K935-M937 VanDerWaalsContact C-N 3.28Å; K935-M937 PolarHBondContact O-N 2.9Å
936	L	89.4	Confident	85.8	Confident	40 Å²	40	54 Å²	54	21%	0.209	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.5	-176.5	-60.3	178.3	0	0	0	112.9	L920 V932 L953 Q954 F956	L920-L936 HydrophobicContact CD2-CD1 3.84Å; V932-L936 HydrophobicContact CB-CB 4.23Å; V932-L936 HydrophobicContact CG1-CD1 4.39Å; V932-L936 PolarHBondContact O-N 3.06Å; L936-L953 CarbonylContact O-C 3.57Å; L936-L953 WeakPolarHBondContact O-CA 3.48Å; L936-Q954 HydrophobicContact CD2-CB 4.39Å; L936-Q954 PolarHBondContact O-N 2.88Å; L936-F956 HydrophobicContact CD1-CB 4.32Å; L936-F956 HydrophobicContact CD1-CD1 4.09Å; L936-F956 HydrophobicContact CD1-CG 4.06Å; L936-F956 HydrophobicContact CD2-CB 3.88Å; L936-F956 HydrophobicContact CD2-CD1 4.32Å; L936-F956 HydrophobicContact CD2-CG 4.35Å
937	M	89.6	Confident	85.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-126.3	88	172.5	-68.5	-154.1	75.3	0	0	109.7	L851 L922 I923 P928 V932 K935 G939 A951 L953	L851-M937 HydrophobicContact CD1-CE 4.35Å; L922-M937 HydrophobicContact CB-SD 3.85Å; I923-M937 HydrophobicContact CD1-CE 4.07Å; I923-M937 HydrophobicContact CD1-SD 4.24Å; I923-M937 HydrophobicContact CG1-CE 4.24Å; I923-M937 HydrophobicContact CG1-SD 3.77Å; P928-M937 HydrophobicContact CB-CB 3.95Å; P928-M937 HydrophobicContact CG-CB 4.25Å; V932-M937 HydrophobicContact CG2-CB 4.15Å; V932-M937 HydrophobicContact CG2-CG 4.26Å; V932-M937 PolarHBondContact O-N 2.88Å; K935-M937 VanDerWaalsContact C-N 3.28Å; K935-M937 PolarHBondContact O-N 2.9Å; M937-G939 PolarHBondContact O-N 2.6Å; M937-A951 HydrophobicContact CE-CB 3.62Å; M937-L953 HydrophobicContact CG-CD1 3.89Å; M937-L953 HydrophobicContact SD-CD1 4.49Å
938	P	85.2	Confident	85.3	Confident	62 Å²	62	55 Å²	55	40%	0.403	31%	0.314	S	S	.	.			trans	-79.3	4.1	-174.8	31.9	-35.9	0	0	0	114.2	M848 P952	M848-P938 HydrophobicContact CE-CG 3.96Å; P938-P952 HydrophobicContact CG-CB 4.15Å; P938-P952 HydrophobicContact CG-CG 4.13Å
939	G	85	Confident	85.4	Confident	6 Å²	6	54.5 Å²	54.5	6%	0.062	31%	0.31	C	S	.	.	S	Bend	trans	-155.9	164.9	-178.7	0	0	0	0	0	114.1	P928 M937	P928-G939 WeakPolarHBondContact CG-O 3.31Å; M937-G939 PolarHBondContact O-N 2.6Å
940	T	89.4	Confident	85.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.312	C	S	.	.			trans	-70.7	169.2	177.8	48.2	0	0	0	0	114.4	K942 C982 I984 E989	T940-K942 PolarHBondContact O-N 3.18Å; T940-K942 WeakPolarHBondContact OG1-CE 3.45Å; T940-C982 HydrophobicContact CG2-CB 3.85Å; T940-I984 HydrophobicContact CG2-CD1 3.74Å; T940-E989 WeakPolarHBondContact CB-OE2 3.43Å; T940-E989 HydrophobicContact CG2-CB 3.54Å; T940-E989 HydrophobicContact CG2-CG 4.46Å; T940-E989 WeakPolarHBondContact CG2-OE2 3.2Å; T940-E989 PolarHBondContact N-OE2 3.04Å; T940-E989 PolarHBondContact OG1-OE2 2.97Å
941	V	90.1	Very high	85.8	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.271	C	S	.	.			trans	-77.2	110.6	170.6	-177.1	0	0	0	0	108.9	W853 V866 I923 K949 A951 S991	W853-V941 HydrophobicContact CZ3-CG1 4.31Å; V866-V941 HydrophobicContact CB-CG1 4.34Å; V866-V941 HydrophobicContact CB-CG2 4.33Å; V866-V941 HydrophobicContact CG2-CG1 3.98Å; I923-V941 HydrophobicContact CD1-CG2 3.76Å; V941-K949 HydrophobicContact CG1-CB 4.11Å; V941-K949 HydrophobicContact CG1-CD 4.42Å; V941-A951 HydrophobicContact CG2-CB 4.19Å; V941-S991 PolarHBondContact N-OG 3.13Å
942	K	88.1	Confident	86.2	Confident	89 Å²	89	46.8 Å²	46.8	39%	0.387	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	150.8	-173.8	-66.5	175.1	-175.6	-175.6	0	110.6	T940 K949 V950 E989	T940-K942 PolarHBondContact O-N 3.18Å; T940-K942 WeakPolarHBondContact OG1-CE 3.45Å; K942-K949 CarbonylContact O-C 3.34Å; K942-K949 VanDerWaalsContact O-CA 3.29Å; K942-K949 WeakPolarHBondContact O-CA 3.39Å; K942-V950 PolarHBondContact N-O 2.93Å; K942-V950 PolarHBondContact O-N 3.05Å; K942-E989 WeakPolarHBondContact CE-OE2 3.1Å; K942-E989 IonicContact NZ-OE1 3.44Å; K942-E989 PolarHBondContact NZ-OE1 3.3Å; K942-E989 IonicContact NZ-OE2 2.75Å; K942-E989 PolarHBondContact NZ-OE2 3.04Å
943	V	86.4	Confident	86.4	Confident	68 Å²	68	46.7 Å²	46.7	41%	0.412	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129	175.3	178.1	0	0	0	0	108.6	S945 K949 Y992	V943-S945 VanDerWaalsContact CG1-O 3.3Å; V943-S945 WeakPolarHBondContact CG1-O 3.38Å; V943-K949 HydrophobicContact CG2-CD 4.47Å; V943-K949 HydrophobicContact CG2-CG 4.28Å; V943-Y992 HydrophobicContact CG2-CD2 3.92Å; V943-Y992 HydrophobicContact CG2-CE1 4.18Å; V943-Y992 HydrophobicContact CG2-CE2 3.56Å; V943-Y992 HydrophobicContact CG2-CG 4.4Å
944	L	84.1	Confident	86.8	Confident	114 Å²	114	49.1 Å²	49.1	60%	0.597	26%	0.261	S	S	*	.	S	Bend	trans	-102.5	-37.2	174.2	-177.5	63.5	0	0	0	111.3	T948 V950	L944-T948 HydrophobicContact CB-CG2 4.11Å; L944-T948 HydrophobicContact CD2-CG2 4.03Å; L944-T948 PolarHBondContact N-O 3.19Å; L944-V950 HydrophobicContact CB-CG1 4.22Å; L944-V950 HydrophobicContact CB-CG2 4.22Å; L944-V950 HydrophobicContact CD2-CG1 3.9Å
945	S	80.2	Confident	87.2	Confident	49 Å²	49	43 Å²	43	34%	0.343	23%	0.234	S	C	.	.	S	Bend	trans	-151.1	174	171.8	75.2	0	0	0	0	109.7	V943 S947 T948	V943-S945 VanDerWaalsContact CG1-O 3.3Å; V943-S945 WeakPolarHBondContact CG1-O 3.38Å; S945-S947 PolarHBondContact O-N 3.2Å; S945-S947 VanDerWaalsContact O-N 3.16Å; S945-S947 PolarHBondContact OG-N 3.07Å; S945-S947 PolarHBondContact OG-OG 3.41Å; S945-T948 PolarHBondContact N-O 3.18Å; S945-T948 VanDerWaalsContact N-O 3.1Å; S945-T948 PolarHBondContact O-N 3.39Å; S945-T948 VanDerWaalsContact O-N 3.08Å; S945-T948 VanDerWaalsContact OG-CB 3.26Å; S945-T948 WeakPolarHBondContact OG-CB 3.26Å; S945-T948 PolarHBondContact OG-N 2.66Å; S945-T948 VanDerWaalsContact OG-N 3.08Å; S945-T948 PolarHBondContact OG-OG1 2.66Å
946	N	73.4	Confident	87.5	Confident	150 Å²	150	36.8 Å²	36.8	80%	0.802	21%	0.206	S	C	*	.	S	Bend	trans	-55.4	-33.7	176.5	-64.8	4.3	0	0	0	112.8
947	S	78.9	Confident	87.3	Confident	46 Å²	46	39.7 Å²	39.7	32%	0.322	21%	0.214	S	C	.	.	S	Bend	trans	-93.7	-13.9	177.1	57.8	0	0	0	0	114.3	E854 M855 F864 S945	E854-S947 WeakPolarHBondContact CA-O 3.43Å; M855-S947 PolarHBondContact N-O 3.25Å; F864-S947 WeakPolarHBondContact CE1-O 3.42Å; S945-S947 PolarHBondContact O-N 3.2Å; S945-S947 VanDerWaalsContact O-N 3.16Å; S945-S947 PolarHBondContact OG-N 3.07Å; S945-S947 PolarHBondContact OG-OG 3.41Å
948	T	85.7	Confident	87	Confident	5 Å²	5	41 Å²	41	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.4	-166.9	-59	0	0	0	0	113.3	K852 W853 L944 S945 V950	K852-T948 HydrophobicContact CD-CG2 4.21Å; K852-T948 VanDerWaalsContact CE-CG2 3.44Å; K852-T948 HydrophobicContact CG-CG2 3.69Å; W853-T948 WeakPolarHBondContact O-CA 3.35Å; L944-T948 HydrophobicContact CB-CG2 4.11Å; L944-T948 HydrophobicContact CD2-CG2 4.03Å; L944-T948 PolarHBondContact N-O 3.19Å; S945-T948 PolarHBondContact N-O 3.18Å; S945-T948 VanDerWaalsContact N-O 3.1Å; S945-T948 PolarHBondContact O-N 3.39Å; S945-T948 VanDerWaalsContact O-N 3.08Å; S945-T948 VanDerWaalsContact OG-CB 3.26Å; S945-T948 WeakPolarHBondContact OG-CB 3.26Å; S945-T948 PolarHBondContact OG-N 2.66Å; S945-T948 VanDerWaalsContact OG-N 3.08Å; S945-T948 PolarHBondContact OG-OG1 2.66Å; T948-V950 HydrophobicContact CG2-CG1 4.39Å
949	K	91.3	Very high	86.5	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.7	170.2	-62.6	-175.9	-176.7	66.9	0	110.4	W853 D863 F864 V941 K942 V943	W853-K949 PolarHBondContact N-O 3.48Å; W853-K949 PolarHBondContact O-N 3.19Å; D863-K949 IonicContact OD1-NZ 2.78Å; D863-K949 PolarHBondContact OD1-NZ 2.96Å; F864-K949 HydrophobicContact CD2-CD 4.45Å; F864-K949 HydrophobicContact CE1-CD 4.34Å; F864-K949 HydrophobicContact CE1-CG 4.14Å; F864-K949 VanDerWaalsContact CE1-NZ 3.35Å; F864-K949 HydrophobicContact CE2-CB 4.12Å; F864-K949 HydrophobicContact CE2-CD 3.89Å; F864-K949 HydrophobicContact CE2-CG 4.11Å; F864-K949 HydrophobicContact CZ-CB 3.75Å; F864-K949 HydrophobicContact CZ-CD 3.85Å; F864-K949 HydrophobicContact CZ-CG 3.62Å; F864-K949 WeakPolarHBondContact O-CE 3.25Å; F864-K949 PolarHBondContact O-NZ 3.18Å; V941-K949 HydrophobicContact CG1-CB 4.11Å; V941-K949 HydrophobicContact CG1-CD 4.42Å; K942-K949 CarbonylContact O-C 3.34Å; K942-K949 VanDerWaalsContact O-CA 3.29Å; K942-K949 WeakPolarHBondContact O-CA 3.39Å; V943-K949 HydrophobicContact CG2-CD 4.47Å; V943-K949 HydrophobicContact CG2-CG 4.28Å
950	V	91.9	Very high	85.7	Confident	17 Å²	17	47.8 Å²	47.8	10%	0.103	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.9	-178.3	-65.8	0	0	0	0	111.8	L851 K852 K942 L944 T948	L851-V950 CarbonylContact O-C 3.58Å; L851-V950 VanDerWaalsContact O-CA 3.24Å; L851-V950 WeakPolarHBondContact O-CA 3.42Å; K852-V950 HydrophobicContact CB-CG1 4.4Å; K852-V950 HydrophobicContact CG-CG1 4.25Å; K942-V950 PolarHBondContact N-O 2.93Å; K942-V950 PolarHBondContact O-N 3.05Å; L944-V950 HydrophobicContact CB-CG1 4.22Å; L944-V950 HydrophobicContact CB-CG2 4.22Å; L944-V950 HydrophobicContact CD2-CG1 3.9Å; T948-V950 HydrophobicContact CG2-CG1 4.39Å
951	A	92.4	Very high	85	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.6	167.1	0	0	0	0	0	110.6	L851 W853 M937 V941	L851-A951 PolarHBondContact N-O 3.41Å; L851-A951 PolarHBondContact O-N 3.15Å; W853-A951 HydrophobicContact CH2-CB 4.03Å; W853-A951 HydrophobicContact CZ3-CB 3.76Å; M937-A951 HydrophobicContact CE-CB 3.62Å; V941-A951 HydrophobicContact CG2-CB 4.19Å
952	P	91.8	Very high	84.5	Confident	36 Å²	36	54.4 Å²	54.4	23%	0.234	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.3	178.2	29.9	-34.7	0	0	0	110.9	M848 P938	M848-P952 HydrophobicContact CE-CB 4.07Å; P938-P952 HydrophobicContact CG-CB 4.15Å; P938-P952 HydrophobicContact CG-CG 4.13Å
953	L	92.8	Very high	84.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	124.7	177.5	-176.6	75.2	0	0	0	109.7	L849 L851 L922 L936 M937 F956 I966 F1034	L849-L953 PolarHBondContact N-O 2.98Å; L849-L953 PolarHBondContact O-N 2.97Å; L851-L953 HydrophobicContact CD1-CB 4.25Å; L851-L953 HydrophobicContact CD1-CD1 4.35Å; L851-L953 HydrophobicContact CD1-CD2 4.11Å; L851-L953 HydrophobicContact CD1-CG 4.48Å; L851-L953 HydrophobicContact CD2-CD2 4.09Å; L851-L953 HydrophobicContact CG-CB 4.09Å; L851-L953 HydrophobicContact CG-CD2 3.99Å; L922-L953 HydrophobicContact CD1-CD1 4.22Å; L922-L953 HydrophobicContact CD2-CD1 4.49Å; L936-L953 CarbonylContact O-C 3.57Å; L936-L953 WeakPolarHBondContact O-CA 3.48Å; M937-L953 HydrophobicContact CG-CD1 3.89Å; M937-L953 HydrophobicContact SD-CD1 4.49Å; L953-F956 HydrophobicContact CD1-CE1 4.24Å; L953-I966 HydrophobicContact CD2-CD1 3.75Å; L953-F1034 HydrophobicContact CD2-CZ 4.47Å
954	Q	91.6	Very high	84	Confident	70 Å²	70	48.3 Å²	48.3	33%	0.327	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.4	167.6	-164.5	176.2	26.4	0	0	109.9	G846 M848 L936 F956	G846-Q954 WeakPolarHBondContact O-CG 3.11Å; G846-Q954 PolarHBondContact O-NE2 3.25Å; M848-Q954 HydrophobicContact SD-CB 3.77Å; M848-Q954 HydrophobicContact SD-CG 3.89Å; L936-Q954 HydrophobicContact CD2-CB 4.39Å; L936-Q954 PolarHBondContact O-N 2.88Å; Q954-F956 WeakPolarHBondContact O-CD1 3.42Å; Q954-F956 PolarHBondContact O-N 2.87Å
955	A	89	Confident	84.1	Confident	3 Å²	3	44.8 Å²	44.8	3%	0.025	24%	0.242	C	C	.	.			trans	-63.6	126.3	-177.6	0	0	0	0	0	111.9	A843 K844 G846 E847 L849 F1034 I1036	A843-A955 HydrophobicContact CB-CB 4.14Å; K844-A955 WeakPolarHBondContact O-CB 3.38Å; G846-A955 WeakPolarHBondContact CA-O 3.47Å; G846-A955 PolarHBondContact N-O 2.84Å; E847-A955 HydrophobicContact CB-CB 4.26Å; E847-A955 WeakPolarHBondContact O-CB 3.49Å; E847-A955 PolarHBondContact O-N 3.02Å; L849-A955 HydrophobicContact CD1-CB 4.08Å; L849-A955 HydrophobicContact CG-CB 4.46Å; A955-F1034 HydrophobicContact CB-CE2 4.35Å; A955-I1036 HydrophobicContact CB-CD1 3.93Å
956	F	91.1	Very high	84.5	Confident	16 Å²	16	42.4 Å²	42.4	7%	0.07	23%	0.225	C	C	.	.			trans	-133.9	161.4	-176.8	66.8	-84	0	0	0	110.6	A871 L920 L922 L936 L953 Q954 F958 V964 I1036	A871-F956 HydrophobicContact CB-CE2 4.2Å; A871-F956 HydrophobicContact CB-CZ 3.62Å; L920-F956 HydrophobicContact CD2-CE2 4.25Å; L920-F956 HydrophobicContact CD2-CZ 4.4Å; L922-F956 HydrophobicContact CD2-CE1 4.39Å; L922-F956 HydrophobicContact CD2-CZ 4.44Å; L936-F956 HydrophobicContact CD1-CB 4.32Å; L936-F956 HydrophobicContact CD1-CD1 4.09Å; L936-F956 HydrophobicContact CD1-CG 4.06Å; L936-F956 HydrophobicContact CD2-CB 3.88Å; L936-F956 HydrophobicContact CD2-CD1 4.32Å; L936-F956 HydrophobicContact CD2-CG 4.35Å; L953-F956 HydrophobicContact CD1-CE1 4.24Å; Q954-F956 WeakPolarHBondContact O-CD1 3.42Å; Q954-F956 PolarHBondContact O-N 2.87Å; F956-F958 HydrophobicContact CE2-CD2 4.44Å; F956-F958 AromaticContact CE2-CE2 3.89Å; F956-F958 HydrophobicContact CE2-CE2 3.89Å; F956-F958 HydrophobicContact CE2-CZ 4.17Å; F956-V964 HydrophobicContact CE2-CG1 3.95Å; F956-V964 HydrophobicContact CZ-CG1 3.81Å; F956-V964 WeakPolarHBondContact O-CG2 3.41Å; F956-I1036 WeakPolarHBondContact O-CD1 3.4Å; F956-I1036 VanDerWaalsContact O-CG1 3.29Å; F956-I1036 WeakPolarHBondContact O-CG1 3.35Å
957	R	85.1	Confident	85.2	Confident	100 Å²	100	36.1 Å²	36.1	38%	0.377	19%	0.191	S	C	.	.			trans	-118	155.7	170.9	66.7	174.4	171.1	-151.3	-11.5	111.9	L845 I1036 D1038	L845-R957 HydrophobicContact CD1-CB 4.49Å; L845-R957 HydrophobicContact CD1-CG 4.16Å; R957-I1036 HydrophobicContact CB-CB 4.36Å; R957-I1036 HydrophobicContact CB-CG1 4.12Å; R957-I1036 HydrophobicContact CB-CG2 4.37Å; R957-D1038 IonicContact CZ-OD2 3.7Å; R957-D1038 IonicContact NH1-OD2 2.68Å; R957-D1038 PolarHBondContact NH1-OD2 3.39Å; R957-D1038 IonicContact NH2-OD2 3.63Å; R957-D1038 PolarHBondContact NH2-OD2 2.95Å
958	F	84.2	Confident	85.8	Confident	28 Å²	28	34 Å²	34	12%	0.123	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-84.7	147	158.5	-70.4	-82.6	0	0	0	109.3	A871 E872 R873 L920 F956 G960 S961 V964	A871-F958 HydrophobicContact CB-CE2 4.27Å; A871-F958 HydrophobicContact CB-CZ 4.21Å; A871-F958 WeakPolarHBondContact O-CZ 3.42Å; E872-F958 VanDerWaalsContact CA-CE2 3.47Å; E872-F958 WeakPolarHBondContact O-CE2 3.38Å; R873-F958 HydrophobicContact CG-CB 3.87Å; R873-F958 HydrophobicContact CG-CD2 4.19Å; R873-F958 HydrophobicContact CG-CG 3.97Å; L920-F958 HydrophobicContact CB-CE1 4.39Å; L920-F958 HydrophobicContact CB-CZ 4.15Å; F956-F958 HydrophobicContact CE2-CD2 4.44Å; F956-F958 AromaticContact CE2-CE2 3.89Å; F956-F958 HydrophobicContact CE2-CE2 3.89Å; F956-F958 HydrophobicContact CE2-CZ 4.17Å; F958-G960 PolarHBondContact O-N 3.42Å; F958-S961 PolarHBondContact O-N 2.78Å; F958-V964 HydrophobicContact CD2-CG2 4.17Å; F958-V964 HydrophobicContact CE2-CG1 4.21Å
959	D	73.9	Confident	86	Confident	145 Å²	145	36.7 Å²	36.7	78%	0.775	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	129.9	-179.2	-173	21.8	0	0	0	111.7	R873 S961	R873-D959 PolarHBondContact NH1-O 3.24Å; R873-D959 PolarHBondContact NH2-O 3Å; D959-S961 VanDerWaalsContact C-N 3.25Å; D959-S961 PolarHBondContact O-N 2.97Å
960	G	68.3	Low	86	Confident	65 Å²	65	36.8 Å²	36.8	67%	0.67	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	20.6	-171.9	0	0	0	0	0	115.9	R873 F958	R873-G960 PolarHBondContact NH2-O 3.3Å; F958-G960 PolarHBondContact O-N 3.42Å
961	S	74.2	Confident	85.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.021	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-130	111.6	174.6	-139.1	0	0	0	0	109.5	R873 D875 F958 D959 T963	R873-S961 WeakPolarHBondContact CB-OG 3.27Å; D875-S961 PolarHBondContact OD2-OG 2.61Å; F958-S961 PolarHBondContact O-N 2.78Å; D959-S961 VanDerWaalsContact C-N 3.25Å; D959-S961 PolarHBondContact O-N 2.97Å; S961-T963 VanDerWaalsContact C-N 3.27Å; S961-T963 PolarHBondContact OG-O 3.37Å
962	R	80.5	Confident	85.6	Confident	138 Å²	138	38.2 Å²	38.2	52%	0.521	20%	0.196	S	C	.	.	S	Bend	trans	-76.4	-17.1	172	-67.1	-165.1	-169.6	137.9	7.4	112.2	V1035 I1036 E1041	R962-V1035 HydrophobicContact CB-CG1 4.44Å; R962-V1035 CarbonylContact O-C 3.56Å; R962-V1035 WeakPolarHBondContact O-CA 3.43Å; R962-I1036 PolarHBondContact O-N 3.22Å; R962-E1041 IonicContact CZ-OE1 2.71Å; R962-E1041 IonicContact CZ-OE2 2.95Å; R962-E1041 VanDerWaalsContact CZ-OE2 3.26Å; R962-E1041 IonicContact NE-OE1 2.66Å; R962-E1041 IonicContact NE-OE2 2.64Å; R962-E1041 PolarHBondContact NE-OE2 2.99Å; R962-E1041 IonicContact NH2-OE1 3.58Å; R962-E1041 PolarHBondContact NH2-OE1 3.2Å; R962-E1041 IonicContact NH2-OE2 3.18Å; R962-E1041 PolarHBondContact NH2-OE2 2.03Å
963	T	79.2	Confident	85.4	Confident	29 Å²	29	37.9 Å²	37.9	18%	0.178	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.8	178.1	60.9	0	0	0	0	111.9	G874 D875 S961 F1034	G874-T963 WeakPolarHBondContact CA-OG1 3.1Å; G874-T963 PolarHBondContact N-O 3.33Å; G874-T963 PolarHBondContact N-OG1 2.71Å; D875-T963 PolarHBondContact N-OG1 2.97Å; D875-T963 WeakPolarHBondContact OD1-CG2 3.22Å; D875-T963 PolarHBondContact OD1-OG1 2.85Å; D875-T963 PolarHBondContact OD2-OG1 2.84Å; D875-T963 VanDerWaalsContact OD2-OG1 3.12Å; S961-T963 VanDerWaalsContact C-N 3.27Å; S961-T963 PolarHBondContact OG-O 3.37Å; T963-F1034 WeakPolarHBondContact CA-O 3.2Å
964	V	84.5	Confident	84.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.6	174	178.3	0	0	0	0	109.5	F956 F958 I966 T1033 F1034	F956-V964 HydrophobicContact CE2-CG1 3.95Å; F956-V964 HydrophobicContact CZ-CG1 3.81Å; F956-V964 WeakPolarHBondContact O-CG2 3.41Å; F958-V964 HydrophobicContact CD2-CG2 4.17Å; F958-V964 HydrophobicContact CE2-CG1 4.21Å; V964-I966 HydrophobicContact CG1-CG1 4.37Å; V964-T1033 VanDerWaalsContact O-CA 3.3Å; V964-T1033 WeakPolarHBondContact O-CA 3.49Å; V964-F1034 HydrophobicContact CB-CD1 4Å; V964-F1034 HydrophobicContact CB-CE1 3.58Å; V964-F1034 HydrophobicContact CB-CZ 3.93Å; V964-F1034 HydrophobicContact CG1-CD1 4.34Å; V964-F1034 HydrophobicContact CG1-CE1 3.53Å; V964-F1034 HydrophobicContact CG1-CZ 3.94Å; V964-F1034 PolarHBondContact N-O 2.91Å; V964-F1034 WeakPolarHBondContact O-CD1 3.45Å; V964-F1034 PolarHBondContact O-N 3.23Å
965	R	85.3	Confident	84.4	Confident	39 Å²	39	42.9 Å²	42.9	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130	179.8	-179	167	81.9	-144.8	2.6	109	A871 E872 G874 S876 L1031 T1032 T1033	A871-R965 CarbonylContact C-O 3.52Å; A871-R965 WeakPolarHBondContact CA-O 3.4Å; E872-R965 HydrophobicContact CG-CB 4.02Å; E872-R965 HydrophobicContact CG-CG 4.35Å; E872-R965 PolarHBondContact N-O 2.93Å; E872-R965 PolarHBondContact O-N 3.25Å; E872-R965 IonicContact OE1-CZ 2.69Å; E872-R965 IonicContact OE1-NE 2.72Å; E872-R965 PolarHBondContact OE1-NE 3.41Å; E872-R965 IonicContact OE1-NH2 2.74Å; E872-R965 PolarHBondContact OE1-NH2 2.82Å; E872-R965 IonicContact OE2-CZ 3.67Å; E872-R965 IonicContact OE2-NH2 3.21Å; E872-R965 PolarHBondContact OE2-NH2 3.29Å; G874-R965 PolarHBondContact O-NH1 2.83Å; S876-R965 VanDerWaalsContact OG-CZ 3.22Å; S876-R965 PolarHBondContact OG-NH1 2.99Å; S876-R965 VanDerWaalsContact OG-NH1 3.14Å; S876-R965 PolarHBondContact OG-NH2 2.85Å; R965-L1031 HydrophobicContact CG-CD1 3.58Å; R965-T1032 WeakPolarHBondContact CA-O 3.28Å; R965-T1033 WeakPolarHBondContact CG-OG1 3.45Å
966	I	90.3	Very high	83.9	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.7	179	-58.8	174.6	0	0	0	108.7	M831 L851 V870 A871 L922 L953 V964 L1031 T1032 F1034	M831-I966 HydrophobicContact CE-CB 4.29Å; M831-I966 HydrophobicContact CE-CG2 4.04Å; M831-I966 VanDerWaalsContact CE-O 3.22Å; M831-I966 WeakPolarHBondContact CE-O 3.42Å; M831-I966 HydrophobicContact SD-CG2 4.42Å; L851-I966 HydrophobicContact CD2-CD1 4.03Å; V870-I966 WeakPolarHBondContact O-CA 3.12Å; A871-I966 HydrophobicContact CB-CG1 4.03Å; L922-I966 HydrophobicContact CD1-CD1 3.91Å; L922-I966 HydrophobicContact CD1-CG1 4.24Å; L922-I966 HydrophobicContact CD1-CG2 4.01Å; L953-I966 HydrophobicContact CD2-CD1 3.75Å; V964-I966 HydrophobicContact CG1-CG1 4.37Å; I966-L1031 WeakPolarHBondContact O-CA 3.22Å; I966-T1032 HydrophobicContact CB-CG2 4.29Å; I966-T1032 PolarHBondContact N-O 3.14Å; I966-T1032 PolarHBondContact O-N 3.19Å; I966-F1034 HydrophobicContact CD1-CE1 3.88Å; I966-F1034 HydrophobicContact CG1-CE1 4.36Å
967	I	88.3	Confident	83.6	Confident	18 Å²	18	47.5 Å²	47.5	9%	0.092	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.1	178.4	-62.2	171.8	0	0	0	108.8	C869 V870 E872 Y881 L1031	C869-I967 CarbonylContact C-O 3.56Å; C869-I967 WeakPolarHBondContact CA-O 3.41Å; V870-I967 PolarHBondContact N-O 3.5Å; V870-I967 PolarHBondContact O-N 3.44Å; E872-I967 WeakPolarHBondContact OE1-CD1 3.2Å; Y881-I967 HydrophobicContact CD2-CD1 3.74Å; Y881-I967 HydrophobicContact CE2-CB 4.12Å; Y881-I967 HydrophobicContact CE2-CD1 3.56Å; Y881-I967 HydrophobicContact CE2-CG1 4.42Å; Y881-I967 HydrophobicContact CE2-CG2 3.65Å; I967-L1031 HydrophobicContact CD1-CD1 4.23Å; I967-L1031 HydrophobicContact CG1-CD1 3.57Å
968	C	91.5	Very high	83.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.5	177.8	-65.5	0	0	0	0	111.6	M831 Q868 C869 L970 S1029 A1030	M831-C968 HydrophobicContact CE-CB 4.43Å; M831-C968 HydrophobicContact SD-CB 4.41Å; Q868-C968 CarbonylContact O-C 3.55Å; Q868-C968 VanDerWaalsContact O-CA 3.28Å; Q868-C968 WeakPolarHBondContact O-CA 3.5Å; C869-C968 HydrophobicContact CB-CB 4.18Å; C869-C968 WeakPolarHBondContact CB-SG 3.5Å; C869-C968 WeakPolarHBondContact SG-CB 3.21Å; C869-C968 CovalentContact SG-SG 2.04Å; C869-C968 PolarHBondContact SG-SG 3.44Å; C968-L970 HydrophobicContact CB-CD2 4.48Å; C968-S1029 CarbonylContact O-C 3.48Å; C968-S1029 VanDerWaalsContact O-CA 3.27Å; C968-S1029 WeakPolarHBondContact O-CA 3.38Å; C968-A1030 PolarHBondContact N-O 3.44Å; C968-A1030 PolarHBondContact O-N 2.87Å
969	Q	89.5	Confident	83.2	Confident	63 Å²	63	51 Å²	51	29%	0.294	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.1	167.6	-64.5	-176	2.5	0	0	109.5	K867 Q868	K867-Q969 VanDerWaalsContact CB-O 3.32Å; K867-Q969 WeakPolarHBondContact CB-O 3.37Å; K867-Q969 HydrophobicContact CD-CB 4.48Å; K867-Q969 PolarHBondContact N-O 3.43Å; Q868-Q969 PolarHBondContact N-O 3.1Å; Q868-Q969 PolarHBondContact O-N 3.34Å
970	L	90	Very high	83.6	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.3	-175.2	-53.4	175.7	0	0	0	109.9	V829 F864 F865 V866 C968 R1027 S1028 A1030	V829-L970 HydrophobicContact CB-CD1 3.61Å; V829-L970 HydrophobicContact CG1-CD1 3.64Å; V829-L970 HydrophobicContact CG2-CD1 4.12Å; F864-L970 HydrophobicContact CD2-CD2 4.47Å; F865-L970 VanDerWaalsContact O-CA 3.23Å; F865-L970 WeakPolarHBondContact O-CA 3.45Å; V866-L970 HydrophobicContact CB-CD2 4.29Å; V866-L970 HydrophobicContact CG1-CD2 4.38Å; V866-L970 HydrophobicContact CG2-CD2 3.94Å; C968-L970 HydrophobicContact CB-CD2 4.48Å; L970-R1027 CarbonylContact O-C 3.56Å; L970-R1027 WeakPolarHBondContact O-CA 3.36Å; L970-S1028 PolarHBondContact N-O 3.41Å; L970-S1028 PolarHBondContact O-N 3.44Å; L970-A1030 HydrophobicContact CD1-CB 4.05Å
971	D	89.3	Confident	84.3	Confident	35 Å²	35	45.7 Å²	45.7	19%	0.187	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.4	163.9	-59.5	-50.5	0	0	0	108.4	F865 K867 K1026	F865-D971 HydrophobicContact CB-CB 4.32Å; F865-D971 WeakPolarHBondContact CB-O 3.35Å; F865-D971 HydrophobicContact CD1-CB 4.29Å; F865-D971 PolarHBondContact N-O 3.39Å; F865-D971 PolarHBondContact O-N 2.81Å; F865-D971 VanDerWaalsContact O-N 3.11Å; K867-D971 IonicContact NZ-OD1 2.62Å; K867-D971 PolarHBondContact NZ-OD1 3.1Å; K867-D971 IonicContact NZ-OD2 2.62Å; K867-D971 PolarHBondContact NZ-OD2 3.28Å; D971-K1026 WeakPolarHBondContact CA-O 3.49Å
972	I	87.1	Confident	84.8	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.062	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.9	178.4	-50.2	-58	0	0	0	109.4	P828 V829 M855 L862 D863 F864 I1017 V1024 P1025 K1026	P828-I972 HydrophobicContact CG-CD1 4.16Å; P828-I972 HydrophobicContact CG-CG1 4.3Å; V829-I972 HydrophobicContact CG2-CD1 4.12Å; M855-I972 HydrophobicContact CE-CG2 4.49Å; L862-I972 HydrophobicContact CD2-CG2 4.46Å; D863-I972 WeakPolarHBondContact O-CG2 3.01Å; F864-I972 HydrophobicContact CB-CD1 3.75Å; I972-I1017 HydrophobicContact CB-CD1 4.23Å; I972-I1017 HydrophobicContact CG2-CD1 3.93Å; I972-V1024 HydrophobicContact CG2-CG2 4.14Å; I972-P1025 VanDerWaalsContact CG1-O 3.28Å; I972-P1025 WeakPolarHBondContact CG1-O 3.22Å; I972-K1026 PolarHBondContact N-O 3.14Å
973	C	87	Confident	84.7	Confident	30 Å²	30	44.6 Å²	44.6	20%	0.203	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	146.8	-179.9	-51.6	0	0	0	0	110.7	D863 G975 C977	D863-C973 HydrophobicContact CB-CB 4.29Å; D863-C973 PolarHBondContact N-O 2.67Å; D863-C973 PolarHBondContact O-N 2.95Å; C973-G975 WeakPolarHBondContact CB-O 3.03Å; C973-C977 HydrophobicContact CB-CB 4.15Å; C973-C977 WeakPolarHBondContact CB-SG 3.31Å; C973-C977 WeakPolarHBondContact SG-CA 3.09Å; C973-C977 WeakPolarHBondContact SG-CB 3.42Å; C973-C977 CovalentContact SG-SG 2.04Å; C973-C977 PolarHBondContact SG-SG 3.17Å
974	Q	81.8	Confident	84.4	Confident	139 Å²	139	44.1 Å²	44.1	65%	0.65	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.2	162.4	-168.2	176.2	18.2	0	0	107.6	I1017	Q974-I1017 HydrophobicContact CB-CG2 4.26Å; Q974-I1017 HydrophobicContact CG-CG2 4.36Å
975	G	81.6	Confident	83.6	Confident	36 Å²	36	46.7 Å²	46.7	37%	0.371	27%	0.273	S	S	.	.	S	Bend	trans	70.6	173.9	-159.6	0	0	0	0	0	112.9	T861 C973 C977	T861-G975 PolarHBondContact O-N 2.81Å; C973-G975 WeakPolarHBondContact CB-O 3.03Å; G975-C977 PolarHBondContact O-N 2.71Å
976	S	79.6	Confident	82.8	Confident	110 Å²	110	48 Å²	48	77%	0.769	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-58.6	130.2	-172.1	-46	0	0	0	0	113.9	D863	D863-S976 WeakPolarHBondContact OD2-CA 2.92Å
977	C	83.7	Confident	81.8	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.041	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.3	139.8	175	-65.4	0	0	0	0	111.3	D863 F864 F865 C973 G975	D863-C977 WeakPolarHBondContact OD2-CB 3.45Å; D863-C977 PolarHBondContact OD2-N 3.36Å; F864-C977 VanDerWaalsContact C-SG 3.58Å; F865-C977 HydrophobicContact CB-CB 4.34Å; F865-C977 HydrophobicContact CD2-CB 4.27Å; C973-C977 HydrophobicContact CB-CB 4.15Å; C973-C977 WeakPolarHBondContact CB-SG 3.31Å; C973-C977 WeakPolarHBondContact SG-CA 3.09Å; C973-C977 WeakPolarHBondContact SG-CB 3.42Å; C973-C977 CovalentContact SG-SG 2.04Å; C973-C977 PolarHBondContact SG-SG 3.17Å; G975-C977 PolarHBondContact O-N 2.71Å
978	K	80.9	Confident	81.2	Confident	149 Å²	149	63.6 Å²	63.6	65%	0.648	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-79	125	179.4	-66.9	-174.5	178.7	-176.7	0	111.1
979	P	81	Confident	80.4	Confident	51 Å²	51	66.3 Å²	66.3	33%	0.331	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-68.7	157.7	177.5	28.2	-34.5	0	0	0	112.7	Q990 S991 Y992	P979-Q990 HydrophobicContact CB-CB 4.36Å; P979-S991 CarbonylContact C-O 3.56Å; P979-S991 WeakPolarHBondContact CA-O 3.29Å; P979-S991 WeakPolarHBondContact CB-O 3.36Å; P979-Y992 HydrophobicContact CB-CD1 4.34Å; P979-Y992 HydrophobicContact CB-CD2 4.5Å; P979-Y992 HydrophobicContact CB-CE1 4.29Å; P979-Y992 HydrophobicContact CB-CE2 4.43Å; P979-Y992 HydrophobicContact CB-CG 4.44Å; P979-Y992 HydrophobicContact CG-CE1 4.49Å
980	A	82.3	Confident	79.8	Confident	13 Å²	13	69.4 Å²	69.4	11%	0.107	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	169.5	157.1	0	0	0	0	0	110.7	Q990 S991 G993	A980-Q990 WeakPolarHBondContact O-CA 3.13Å; A980-S991 PolarHBondContact N-O 3.5Å; A980-S991 PolarHBondContact O-N 2.87Å; A980-G993 WeakPolarHBondContact CB-O 3.3Å
981	V	83.6	Confident	78.8	Confident	87 Å²	87	69.3 Å²	69.3	53%	0.527	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.7	165.2	-177.5	0	0	0	0	107.1	E988 E989	V981-E988 HydrophobicContact CG1-CB 3.68Å; V981-E988 HydrophobicContact CG1-CG 3.92Å; V981-E989 WeakPolarHBondContact CA-O 3.26Å
982	C	83	Confident	77.7	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.034	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	147.5	171.4	-52.9	0	0	0	0	108.8	C927 T940 I984 E988 E989 S991	C927-C982 WeakPolarHBondContact CA-SG 3.28Å; C927-C982 HydrophobicContact CB-CB 3.96Å; C927-C982 WeakPolarHBondContact CB-SG 3.48Å; C927-C982 VanDerWaalsContact SG-CA 3.6Å; C927-C982 WeakPolarHBondContact SG-CB 3.17Å; C927-C982 CovalentContact SG-SG 2.04Å; C927-C982 PolarHBondContact SG-SG 2.92Å; T940-C982 HydrophobicContact CG2-CB 3.85Å; C982-I984 HydrophobicContact CB-CD1 4.45Å; C982-I984 HydrophobicContact CB-CG1 4.31Å; C982-E988 WeakPolarHBondContact O-CA 3.41Å; C982-E989 PolarHBondContact N-O 3.27Å; C982-E989 PolarHBondContact O-N 2.96Å; C982-S991 WeakPolarHBondContact SG-CB 3.05Å
983	N	80.4	Confident	76	Confident	112 Å²	112	69.6 Å²	69.6	60%	0.599	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.9	171.5	-168.4	-33.9	0	0	0	108.4	G986 R987	N983-G986 WeakPolarHBondContact OD1-CA 3.32Å; N983-R987 WeakPolarHBondContact CA-O 3.47Å
984	I	72.4	Confident	74.1	Confident	19 Å²	19	75.9 Å²	75.9	10%	0.097	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.4	-178.1	-50.6	-178.6	0	0	0	107.4	P928 E934 T940 C982 G986 R987	P928-I984 HydrophobicContact CG-CD1 3.92Å; E934-I984 HydrophobicContact CG-CG2 3.96Å; T940-I984 HydrophobicContact CG2-CD1 3.74Å; C982-I984 HydrophobicContact CB-CD1 4.45Å; C982-I984 HydrophobicContact CB-CG1 4.31Å; I984-G986 PolarHBondContact O-N 3.49Å; I984-G986 VanDerWaalsContact O-N 3.14Å; I984-R987 PolarHBondContact N-O 3.08Å; I984-R987 PolarHBondContact O-N 3.23Å
985	G	66.8	Low	72.2	Confident	54 Å²	54	77.6 Å²	77.6	56%	0.557	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	25.2	-178	0	0	0	0	0	114.2	E934 R987	E934-G985 VanDerWaalsContact OE1-CA 3.25Å; E934-G985 WeakPolarHBondContact OE1-CA 3.48Å; E934-G985 PolarHBondContact OE1-N 2.96Å; G985-R987 VanDerWaalsContact C-N 3.28Å; G985-R987 PolarHBondContact O-N 2.68Å
986	G	68.5	Low	69.9	Low	68 Å²	68	83.4 Å²	83.4	70%	0.701	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	11.8	-173.7	0	0	0	0	0	115.1	N983 I984	N983-G986 WeakPolarHBondContact OD1-CA 3.32Å; I984-G986 PolarHBondContact O-N 3.49Å; I984-G986 VanDerWaalsContact O-N 3.14Å
987	R	69.6	Low	67.9	Low	190 Å²	190	89.5 Å²	89.5	72%	0.717	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.9	176.6	-62	-179.2	-179.9	-179.8	0.1	110.5	N983 I984 G985 E989	N983-R987 WeakPolarHBondContact CA-O 3.47Å; I984-R987 PolarHBondContact N-O 3.08Å; I984-R987 PolarHBondContact O-N 3.23Å; G985-R987 VanDerWaalsContact C-N 3.28Å; G985-R987 PolarHBondContact O-N 2.68Å; R987-E989 PolarHBondContact O-N 3.4Å
988	E	75.5	Confident	65.5	Low	155 Å²	155	95.3 Å²	95.3	72%	0.724	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.3	168	-69.3	-162.8	149.9	0	0	109.8	V981 C982	V981-E988 HydrophobicContact CG1-CB 3.68Å; V981-E988 HydrophobicContact CG1-CG 3.92Å; C982-E988 WeakPolarHBondContact O-CA 3.41Å
989	E	74.4	Confident	63.2	Low	57 Å²	57	94.2 Å²	94.2	27%	0.266	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.3	171.7	-73.9	-155.6	143.4	0	0	110.5	T940 K942 V981 C982 R987	T940-E989 WeakPolarHBondContact CB-OE2 3.43Å; T940-E989 HydrophobicContact CG2-CB 3.54Å; T940-E989 HydrophobicContact CG2-CG 4.46Å; T940-E989 WeakPolarHBondContact CG2-OE2 3.2Å; T940-E989 PolarHBondContact N-OE2 3.04Å; T940-E989 PolarHBondContact OG1-OE2 2.97Å; K942-E989 WeakPolarHBondContact CE-OE2 3.1Å; K942-E989 IonicContact NZ-OE1 3.44Å; K942-E989 PolarHBondContact NZ-OE1 3.3Å; K942-E989 IonicContact NZ-OE2 2.75Å; K942-E989 PolarHBondContact NZ-OE2 3.04Å; V981-E989 WeakPolarHBondContact CA-O 3.26Å; C982-E989 PolarHBondContact N-O 3.27Å; C982-E989 PolarHBondContact O-N 2.96Å; R987-E989 PolarHBondContact O-N 3.4Å
990	Q	78.4	Confident	60.9	Low	127 Å²	127	98.8 Å²	98.8	59%	0.593	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	126	168.2	-66	-175.2	12	0	0	110	P979 A980	P979-Q990 HydrophobicContact CB-CB 4.36Å; A980-Q990 WeakPolarHBondContact O-CA 3.13Å
991	S	67.9	Low	58.4	Low	0 Å²	0	103.9 Å²	103.9	0%	0	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.4	172.5	-162.1	0	0	0	0	108.8	G926 V941 P979 A980 C982 G993	G926-S991 WeakPolarHBondContact O-CB 3.46Å; G926-S991 PolarHBondContact O-OG 3.47Å; V941-S991 PolarHBondContact N-OG 3.13Å; P979-S991 CarbonylContact C-O 3.56Å; P979-S991 WeakPolarHBondContact CA-O 3.29Å; P979-S991 WeakPolarHBondContact CB-O 3.36Å; A980-S991 PolarHBondContact N-O 3.5Å; A980-S991 PolarHBondContact O-N 2.87Å; C982-S991 WeakPolarHBondContact SG-CB 3.05Å; S991-G993 VanDerWaalsContact C-N 3.3Å; S991-G993 PolarHBondContact O-N 3.37Å
992	Y	66.1	Low	55.8	Low	54 Å²	54	106.1 Å²	106.1	21%	0.212	53%	0.525	C	S	.	.	S	Bend	trans	-83.4	72.6	-173.2	-74.6	-102.3	0	0	0	111.9	F865 V866 V943 P979	F865-Y992 WeakPolarHBondContact CD2-O 3.19Å; V866-Y992 PolarHBondContact N-O 2.9Å; V943-Y992 HydrophobicContact CG2-CD2 3.92Å; V943-Y992 HydrophobicContact CG2-CE1 4.18Å; V943-Y992 HydrophobicContact CG2-CE2 3.56Å; V943-Y992 HydrophobicContact CG2-CG 4.4Å; P979-Y992 HydrophobicContact CB-CD1 4.34Å; P979-Y992 HydrophobicContact CB-CD2 4.5Å; P979-Y992 HydrophobicContact CB-CE1 4.29Å; P979-Y992 HydrophobicContact CB-CE2 4.43Å; P979-Y992 HydrophobicContact CB-CG 4.44Å; P979-Y992 HydrophobicContact CG-CE1 4.49Å
993	G	52.6	Low	53.5	Low	0 Å²	0	113.5 Å²	113.5	0%	0	56%	0.564	C	S	.	*			trans	-154.1	38.2	-157.4	0	0	0	0	0	119.4	F865 D925 A980 S991	F865-G993 VanDerWaalsContact CZ-CA 3.45Å; D925-G993 CarbonylContact C-O 3.58Å; D925-G993 VanDerWaalsContact C-O 3.26Å; A980-G993 WeakPolarHBondContact CB-O 3.3Å; S991-G993 VanDerWaalsContact C-N 3.3Å; S991-G993 PolarHBondContact O-N 3.37Å
994	R	46.5	Very low	51.2	Low	162 Å²	162	115.8 Å²	115.8	61%	0.611	58%	0.575	S	S	*	*			trans	-45.5	146.1	-178.5	-166.5	168.3	-175.3	-134.3	-2.5	117.9	F865	F865-R994 HydrophobicContact CE2-CB 3.82Å; F865-R994 HydrophobicContact CZ-CB 4.05Å
995	K	42.3	Very low	49.1	Very low	174 Å²	174	120.1 Å²	120.1	76%	0.757	60%	0.604	S	S	*	*			trans	-102.6	158.6	-160.9	-175.9	177.7	-173.8	170.3	0	117
996	K	33.1	Very low	47.3	Very low	159 Å²	159	123.5 Å²	123.5	69%	0.691	61%	0.614	S	S	*	*			trans	-46.7	150.7	174.8	-173.8	174.7	-176.5	175.2	0	118.4	N998	K996-N998 VanDerWaalsContact CE-OD1 3.28Å; K996-N998 WeakPolarHBondContact CE-OD1 3.45Å
997	R	37.2	Very low	45.4	Very low	238 Å²	238	126.9 Å²	126.9	90%	0.898	62%	0.616	S	S	*	*			trans	-121.3	148.7	156.3	-96.9	-175	175.1	172.1	-2.6	109.9
998	N	32.6	Very low	43.5	Very low	127 Å²	127	123.3 Å²	123.3	68%	0.679	61%	0.61	S	S	*	*			trans	-100.5	161.4	168.8	-68.1	-13.6	0	0	0	110.3	K996	K996-N998 VanDerWaalsContact CE-OD1 3.28Å; K996-N998 WeakPolarHBondContact CE-OD1 3.45Å
999	V	32.9	Very low	41.1	Very low	126 Å²	126	120.9 Å²	120.9	76%	0.764	61%	0.606	S	S	*	*			trans	152.3	120.7	130.2	162.5	0	0	0	0	112
1000	L	32	Very low	39.2	Very low	147 Å²	147	124.6 Å²	124.6	77%	0.77	62%	0.622	S	S	*	*			trans	66	130.8	159.1	-69.9	164.8	0	0	0	123
1001	D	30.6	Very low	36.8	Very low	120 Å²	120	123.6 Å²	123.6	64%	0.642	63%	0.628	S	S	*	*			trans	60.1	107.3	139.5	-68.8	9.6	0	0	0	124.4
1002	N	29.9	Very low	35.3	Very low	134 Å²	134	126.9 Å²	126.9	72%	0.717	65%	0.652	S	S	*	*				78.9	152.8	122.3	-57.1	-29.3	0	0	0	122.5
1003	D	34.5	Very low	34.2	Very low	160 Å²	160	131 Å²	131	86%	0.856	68%	0.677	S	S	*	*			trans	67.4	99.8	167.9	-58.5	-15.3	0	0	0	120.6
1004	I	31.1	Very low	34.2	Very low	161 Å²	161	133.7 Å²	133.7	83%	0.826	70%	0.699	S	S	*	*			trans	-78.4	142.4	160.6	-76.2	169.1	0	0	0	107.8
1005	P	28.6	Very low	35.3	Very low	109 Å²	109	129.4 Å²	129.4	71%	0.708	69%	0.688	S	S	*	*			cis	-131	145.6	41.5	32.2	-13.2	0	0	0	117.5	N1007	P1005-N1007 PolarHBondContact O-N 3.31Å
1006	V	29.3	Very low	36.6	Very low	126 Å²	126	124.9 Å²	124.9	76%	0.764	67%	0.669	S	S	*	*			trans	-75.7	91.7	169.8	-176.4	0	0	0	0	109.5
1007	N	28.3	Very low	38.8	Very low	139 Å²	139	117.8 Å²	117.8	74%	0.743	64%	0.638	S	S	*	*			trans	-115.1	61.1	171.9	-159.7	12.2	0	0	0	109.8	P1005	P1005-N1007 PolarHBondContact O-N 3.31Å
1008	L	29.9	Very low	40.7	Very low	114 Å²	114	109.7 Å²	109.7	60%	0.597	62%	0.615	S	S	*	*			trans	-133.5	119	179	-61.2	172.2	0	0	0	106.1	F1010	L1008-F1010 HydrophobicContact CB-CZ 4.46Å
1009	V	25.2	Very low	42.6	Very low	104 Å²	104	104.1 Å²	104.1	63%	0.63	59%	0.586	S	S	*	*			cis	58.6	66.3	39.6	-164.3	0	0	0	0	111.1	S1011	V1009-S1011 WeakPolarHBondContact CG1-OG 3.18Å; V1009-S1011 PolarHBondContact O-N 3.15Å
1010	F	34.6	Very low	44.3	Very low	136 Å²	136	106.7 Å²	106.7	60%	0.596	59%	0.589	S	S	*	*			trans	-86.9	49.2	164	-68	-70.2	0	0	0	111.4	L1008 S1012	L1008-F1010 HydrophobicContact CB-CZ 4.46Å; F1010-S1012 PolarHBondContact O-N 3.07Å
1011	S	28.5	Very low	45.7	Very low	105 Å²	105	104.7 Å²	104.7	73%	0.734	58%	0.576	S	S	*	*			trans	-78.3	67.6	165	63.3	0	0	0	0	109.9	V1009	V1009-S1011 WeakPolarHBondContact CG1-OG 3.18Å; V1009-S1011 PolarHBondContact O-N 3.15Å
1012	S	35.6	Very low	47.4	Very low	70 Å²	70	101 Å²	101	49%	0.49	55%	0.554	S	S	.	*	S	Bend	trans	-160.3	152.1	168.1	62.5	0	0	0	0	109.1	F1010 A1014	F1010-S1012 PolarHBondContact O-N 3.07Å; S1012-A1014 PolarHBondContact O-N 3.35Å
1013	D	43.2	Very low	49.5	Very low	141 Å²	141	96.1 Å²	96.1	75%	0.754	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	17.8	-175.4	-51.5	-85.8	0	0	0	114.6
1014	A	52.8	Low	51.5	Low	55 Å²	55	88.5 Å²	88.5	46%	0.455	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-24.7	-169.4	0	0	0	0	0	114.9	S1012 K1026	S1012-A1014 PolarHBondContact O-N 3.35Å; A1014-K1026 WeakPolarHBondContact O-CE 3.45Å; A1014-K1026 PolarHBondContact O-NZ 3.32Å
1015	D	68.4	Low	53.7	Low	72 Å²	72	82.5 Å²	82.5	39%	0.385	46%	0.458	S	S	.	.	S	Bend	trans	-104.1	3.6	-176.8	-94.7	-26.8	0	0	0	114.9	K1026	D1015-K1026 WeakPolarHBondContact O-CB 3.48Å; D1015-K1026 WeakPolarHBondContact O-CG 3.27Å; D1015-K1026 PolarHBondContact O-N 3.11Å
1016	K	70.7	Confident	56.3	Low	79 Å²	79	81.3 Å²	81.3	34%	0.343	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	150.6	168.8	-73.8	165.3	162.3	-175.9	0	109.8	E824 V1018 I1023 V1024	E824-K1016 IonicContact OE1-NZ 2.66Å; E824-K1016 PolarHBondContact OE1-NZ 3.41Å; E824-K1016 IonicContact OE2-NZ 2.73Å; E824-K1016 PolarHBondContact OE2-NZ 3.49Å; K1016-V1018 HydrophobicContact CB-CG2 4.44Å; K1016-I1023 HydrophobicContact CB-CG2 3.96Å; K1016-I1023 HydrophobicContact CD-CG2 3.59Å; K1016-I1023 HydrophobicContact CG-CG2 3.91Å; K1016-V1024 CarbonylContact C-O 3.54Å; K1016-V1024 WeakPolarHBondContact CA-O 3.39Å
1017	I	79.8	Confident	58.9	Low	10 Å²	10	84 Å²	84	5%	0.051	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.2	162.2	-60	166.2	0	0	0	105.9	L862 I972 Q974 T1019 I1023 V1024 K1026	L862-I1017 HydrophobicContact CD2-CG2 3.76Å; I972-I1017 HydrophobicContact CB-CD1 4.23Å; I972-I1017 HydrophobicContact CG2-CD1 3.93Å; Q974-I1017 HydrophobicContact CB-CG2 4.26Å; Q974-I1017 HydrophobicContact CG-CG2 4.36Å; I1017-T1019 HydrophobicContact CG2-CG2 4.33Å; I1017-I1023 WeakPolarHBondContact O-CA 3.47Å; I1017-V1024 HydrophobicContact CB-CG2 3.82Å; I1017-V1024 HydrophobicContact CG2-CG2 4.49Å; I1017-V1024 PolarHBondContact N-O 3.06Å; I1017-V1024 PolarHBondContact O-N 3.01Å; I1017-K1026 HydrophobicContact CD1-CG 4.05Å; I1017-K1026 HydrophobicContact CG1-CG 3.75Å
1018	V	75.2	Confident	61.3	Low	68 Å²	68	78 Å²	78	41%	0.412	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	107.1	-173.7	-177.8	0	0	0	0	107.8	K822 K1016 I1023	K822-V1018 HydrophobicContact CD-CG1 3.53Å; K1016-V1018 HydrophobicContact CB-CG2 4.44Å; V1018-I1023 HydrophobicContact CG1-CG1 4.08Å; V1018-I1023 HydrophobicContact CG2-CG1 4.2Å; V1018-I1023 HydrophobicContact CG2-CG2 4.46Å
1019	T	73.2	Confident	63.6	Low	10 Å²	10	75.1 Å²	75.1	6%	0.061	40%	0.397	C	S	.	.			trans	-93.5	-161.3	179.3	80.1	0	0	0	0	110.3	K822 D859 L862 I1017 Y1022	K822-T1019 VanDerWaalsContact CD-O 3.32Å; K822-T1019 WeakPolarHBondContact CD-O 3.44Å; K822-T1019 WeakPolarHBondContact CE-O 3.24Å; K822-T1019 PolarHBondContact NZ-O 2.03Å; D859-T1019 WeakPolarHBondContact OD2-CB 3.39Å; D859-T1019 VanDerWaalsContact OD2-CG2 3.29Å; D859-T1019 WeakPolarHBondContact OD2-CG2 3.12Å; D859-T1019 PolarHBondContact OD2-OG1 2.91Å; L862-T1019 HydrophobicContact CD1-CG2 4.01Å; L862-T1019 HydrophobicContact CD2-CG2 3.79Å; L862-T1019 HydrophobicContact CG-CG2 3.92Å; I1017-T1019 HydrophobicContact CG2-CG2 4.33Å; T1019-Y1022 PolarHBondContact N-O 3.26Å; T1019-Y1022 PolarHBondContact OG1-N 3.3Å
1020	E	68.2	Low	66.2	Low	180 Å²	180	70.4 Å²	70.4	84%	0.841	37%	0.369	S	S	*	.	S	Bend	trans	-72.5	-40.8	174.9	-60.9	-152.1	133.7	0	0	111.9	K822	K822-E1020 VanDerWaalsContact CE-O 3.31Å; K822-E1020 WeakPolarHBondContact CE-O 3.32Å
1021	E	61.5	Low	68.6	Low	106 Å²	106	68.8 Å²	68.8	50%	0.495	37%	0.365	S	S	.	.	S	Bend	trans	-103.1	-26	-175.7	-69.4	-176.3	165.6	0	0	114	K822 V823	K822-E1021 CarbonylContact C-O 3.57Å; K822-E1021 VanDerWaalsContact CA-O 3.25Å; K822-E1021 WeakPolarHBondContact CA-O 3.47Å; V823-E1021 PolarHBondContact N-O 3.28Å
1022	Y	67.4	Low	71.1	Confident	43 Å²	43	64.5 Å²	64.5	17%	0.169	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.4	-166.5	-53.4	-83.7	0	0	0	114.1	V823 L825 V857 D859 T1019	V823-Y1022 HydrophobicContact CB-CD1 4.07Å; V823-Y1022 HydrophobicContact CB-CE1 4.49Å; V823-Y1022 WeakPolarHBondContact O-CA 3.23Å; L825-Y1022 HydrophobicContact CD1-CD1 3.71Å; L825-Y1022 HydrophobicContact CD1-CE1 4.32Å; L825-Y1022 HydrophobicContact CD1-CG 4.43Å; L825-Y1022 HydrophobicContact CG-CD1 4.24Å; V857-Y1022 HydrophobicContact CG1-CD1 3.92Å; V857-Y1022 HydrophobicContact CG1-CD2 3.14Å; V857-Y1022 HydrophobicContact CG1-CE1 4.04Å; V857-Y1022 HydrophobicContact CG1-CE2 3.31Å; V857-Y1022 HydrophobicContact CG1-CG 3.5Å; V857-Y1022 VanDerWaalsContact CG1-CG 3.5Å; D859-Y1022 HydrophobicContact CB-CD2 4.27Å; D859-Y1022 HydrophobicContact CB-CE2 4.39Å; T1019-Y1022 PolarHBondContact N-O 3.26Å; T1019-Y1022 PolarHBondContact OG1-N 3.3Å
1023	I	72.9	Confident	73.3	Confident	30 Å²	30	63.9 Å²	63.9	15%	0.154	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	110.2	166.3	-65.1	167.6	0	0	0	106.7	K822 V823 E824 L825 K1016 I1017 V1018	K822-I1023 HydrophobicContact CB-CD1 3.81Å; K822-I1023 HydrophobicContact CB-CG1 3.7Å; K822-I1023 HydrophobicContact CD-CG1 4.47Å; V823-I1023 PolarHBondContact O-N 2.05Å; E824-I1023 WeakPolarHBondContact CA-O 3.45Å; E824-I1023 HydrophobicContact CG-CB 3.57Å; E824-I1023 HydrophobicContact CG-CD1 4.03Å; E824-I1023 HydrophobicContact CG-CG1 4.39Å; E824-I1023 HydrophobicContact CG-CG2 3.56Å; L825-I1023 PolarHBondContact N-O 2.93Å; K1016-I1023 HydrophobicContact CB-CG2 3.96Å; K1016-I1023 HydrophobicContact CD-CG2 3.59Å; K1016-I1023 HydrophobicContact CG-CG2 3.91Å; I1017-I1023 WeakPolarHBondContact O-CA 3.47Å; V1018-I1023 HydrophobicContact CG1-CG1 4.08Å; V1018-I1023 HydrophobicContact CG2-CG1 4.2Å; V1018-I1023 HydrophobicContact CG2-CG2 4.46Å
1024	V	76.2	Confident	75.2	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.7	-176.9	-57.5	0	0	0	0	110.9	L825 P828 V857 L862 I972 K1016 I1017	L825-V1024 HydrophobicContact CB-CG1 4.31Å; L825-V1024 HydrophobicContact CD1-CG1 4.19Å; P828-V1024 HydrophobicContact CB-CB 4.47Å; P828-V1024 HydrophobicContact CB-CG1 4.05Å; P828-V1024 HydrophobicContact CG-CB 4.18Å; P828-V1024 HydrophobicContact CG-CG1 4.31Å; V857-V1024 HydrophobicContact CG2-CG1 4.31Å; L862-V1024 HydrophobicContact CD1-CG1 4.18Å; L862-V1024 HydrophobicContact CD1-CG2 4.03Å; L862-V1024 HydrophobicContact CD2-CG2 4.18Å; I972-V1024 HydrophobicContact CG2-CG2 4.14Å; K1016-V1024 CarbonylContact C-O 3.54Å; K1016-V1024 WeakPolarHBondContact CA-O 3.39Å; I1017-V1024 HydrophobicContact CB-CG2 3.82Å; I1017-V1024 HydrophobicContact CG2-CG2 4.49Å; I1017-V1024 PolarHBondContact N-O 3.06Å; I1017-V1024 PolarHBondContact O-N 3.01Å
1025	P	77.4	Confident	76.7	Confident	35 Å²	35	57.3 Å²	57.3	23%	0.227	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	144.6	175.7	31.1	-36.2	0	0	0	110.5	L825 I972 R1027	L825-P1025 WeakPolarHBondContact O-CD 3.37Å; I972-P1025 VanDerWaalsContact CG1-O 3.28Å; I972-P1025 WeakPolarHBondContact CG1-O 3.22Å; P1025-R1027 WeakPolarHBondContact CB-O 2.97Å; P1025-R1027 WeakPolarHBondContact CG-O 3.44Å; P1025-R1027 PolarHBondContact O-N 3.29Å; P1025-R1027 VanDerWaalsContact O-N 3.13Å
1026	K	83.9	Confident	77.4	Confident	83 Å²	83	54 Å²	54	36%	0.361	27%	0.27	S	S	.	.	S	Bend	trans	-64.4	-13.6	174.6	-74.7	178.9	-175.6	172.9	0	114.1	D971 I972 A1014 D1015 I1017	D971-K1026 WeakPolarHBondContact CA-O 3.49Å; I972-K1026 PolarHBondContact N-O 3.14Å; A1014-K1026 WeakPolarHBondContact O-CE 3.45Å; A1014-K1026 PolarHBondContact O-NZ 3.32Å; D1015-K1026 WeakPolarHBondContact O-CB 3.48Å; D1015-K1026 WeakPolarHBondContact O-CG 3.27Å; D1015-K1026 PolarHBondContact O-N 3.11Å; I1017-K1026 HydrophobicContact CD1-CG 4.05Å; I1017-K1026 HydrophobicContact CG1-CG 3.75Å
1027	R	83.3	Confident	77.8	Confident	182 Å²	182	52.3 Å²	52.3	69%	0.687	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.1	175.2	-61.7	-178.7	-172.1	154.8	8.3	109.4	L970 P1025	L970-R1027 CarbonylContact O-C 3.56Å; L970-R1027 WeakPolarHBondContact O-CA 3.36Å; P1025-R1027 WeakPolarHBondContact CB-O 2.97Å; P1025-R1027 WeakPolarHBondContact CG-O 3.44Å; P1025-R1027 PolarHBondContact O-N 3.29Å; P1025-R1027 VanDerWaalsContact O-N 3.13Å
1028	S	80.4	Confident	77.2	Confident	13 Å²	13	52.6 Å²	52.6	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	166.7	-177.6	175.7	0	0	0	0	110.2	L970	L970-S1028 PolarHBondContact N-O 3.41Å; L970-S1028 PolarHBondContact O-N 3.44Å
1029	S	77.3	Confident	76.7	Confident	55 Å²	55	52 Å²	52	39%	0.385	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136	173	66.9	0	0	0	0	111.4	S827 C968	S827-S1029 PolarHBondContact OG-O 2.87Å; C968-S1029 CarbonylContact O-C 3.48Å; C968-S1029 VanDerWaalsContact O-CA 3.27Å; C968-S1029 WeakPolarHBondContact O-CA 3.38Å
1030	A	80.6	Confident	76.2	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.3	175.2	0	0	0	0	0	110.9	M831 C968 L970	M831-A1030 HydrophobicContact CB-CB 3.73Å; C968-A1030 PolarHBondContact N-O 3.44Å; C968-A1030 PolarHBondContact O-N 2.87Å; L970-A1030 HydrophobicContact CD1-CB 4.05Å
1031	L	83.8	Confident	75.7	Confident	101 Å²	101	53.2 Å²	53.2	53%	0.529	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.8	-172.8	169.8	71.2	0	0	0	109.2	R965 I966 I967	R965-L1031 HydrophobicContact CG-CD1 3.58Å; I966-L1031 WeakPolarHBondContact O-CA 3.22Å; I967-L1031 HydrophobicContact CD1-CD1 4.23Å; I967-L1031 HydrophobicContact CG1-CD1 3.57Å
1032	T	82.2	Confident	75.5	Confident	15 Å²	15	52.1 Å²	52.1	9%	0.092	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.5	167	-147.8	0	0	0	0	111.1	M831 M833 L851 R965 I966	M831-T1032 HydrophobicContact CE-CG2 3.96Å; M831-T1032 HydrophobicContact CG-CG2 4.21Å; M831-T1032 VanDerWaalsContact O-CB 3.25Å; M831-T1032 WeakPolarHBondContact O-CB 3.26Å; M831-T1032 PolarHBondContact O-OG1 2.9Å; M831-T1032 HydrophobicContact SD-CG2 4.41Å; M833-T1032 HydrophobicContact CE-CG2 3.53Å; M833-T1032 WeakPolarHBondContact CE-OG1 2.95Å; M833-T1032 HydrophobicContact CG-CG2 4.06Å; M833-T1032 HydrophobicContact SD-CG2 3.69Å; L851-T1032 HydrophobicContact CD2-CG2 4.5Å; R965-T1032 WeakPolarHBondContact CA-O 3.28Å; I966-T1032 HydrophobicContact CB-CG2 4.29Å; I966-T1032 PolarHBondContact N-O 3.14Å; I966-T1032 PolarHBondContact O-N 3.19Å
1033	T	81.6	Confident	75	Confident	58 Å²	58	54.2 Å²	54.2	36%	0.356	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.7	-178.9	-61.6	0	0	0	0	110.9	V964 R965	V964-T1033 VanDerWaalsContact O-CA 3.3Å; V964-T1033 WeakPolarHBondContact O-CA 3.49Å; R965-T1033 WeakPolarHBondContact CG-OG1 3.45Å
1034	F	83.2	Confident	74.2	Confident	3 Å²	3	57.8 Å²	57.8	1%	0.013	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.9	-179	61.8	-62.9	0	0	0	112.2	M833 L841 A843 L849 L953 A955 T963 V964 I966 I1036	M833-F1034 HydrophobicContact CE-CB 3.66Å; M833-F1034 HydrophobicContact CE-CD1 4.04Å; M833-F1034 HydrophobicContact CE-CG 4.13Å; M833-F1034 HydrophobicContact SD-CB 3.76Å; M833-F1034 HydrophobicContact SD-CD1 3.24Å; M833-F1034 WeakPolarHBondContact SD-CD1 3.45Å; M833-F1034 HydrophobicContact SD-CD2 4.28Å; M833-F1034 HydrophobicContact SD-CE1 3.79Å; M833-F1034 HydrophobicContact SD-CG 3.54Å; M833-F1034 VanDerWaalsContact SD-CG 3.54Å; M833-F1034 HydrophobicContact SD-CZ 4.5Å; L841-F1034 WeakPolarHBondContact O-CA 3.05Å; A843-F1034 HydrophobicContact CB-CD2 4.38Å; L849-F1034 HydrophobicContact CD1-CD2 4.44Å; L849-F1034 HydrophobicContact CD1-CE2 4.25Å; L953-F1034 HydrophobicContact CD2-CZ 4.47Å; A955-F1034 HydrophobicContact CB-CE2 4.35Å; T963-F1034 WeakPolarHBondContact CA-O 3.2Å; V964-F1034 HydrophobicContact CB-CD1 4Å; V964-F1034 HydrophobicContact CB-CE1 3.58Å; V964-F1034 HydrophobicContact CB-CZ 3.93Å; V964-F1034 HydrophobicContact CG1-CD1 4.34Å; V964-F1034 HydrophobicContact CG1-CE1 3.53Å; V964-F1034 HydrophobicContact CG1-CZ 3.94Å; V964-F1034 PolarHBondContact N-O 2.91Å; V964-F1034 WeakPolarHBondContact O-CD1 3.45Å; V964-F1034 PolarHBondContact O-N 3.23Å; I966-F1034 HydrophobicContact CD1-CE1 3.88Å; I966-F1034 HydrophobicContact CG1-CE1 4.36Å; F1034-I1036 HydrophobicContact CD2-CD1 3.96Å; F1034-I1036 HydrophobicContact CE2-CD1 3.58Å; F1034-I1036 HydrophobicContact CE2-CG1 4.39Å
1035	V	84.4	Confident	73.1	Confident	55 Å²	55	62.2 Å²	62.2	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.3	173.4	-173.3	0	0	0	0	109.3	L841 Q842 A843 R962	L841-V1035 PolarHBondContact O-N 2.96Å; Q842-V1035 WeakPolarHBondContact CA-O 3.15Å; Q842-V1035 HydrophobicContact CG-CB 4.33Å; A843-V1035 PolarHBondContact N-O 3.41Å; R962-V1035 HydrophobicContact CB-CG1 4.44Å; R962-V1035 CarbonylContact O-C 3.56Å; R962-V1035 WeakPolarHBondContact O-CA 3.43Å
1036	I	82.8	Confident	71.9	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122	168.1	-63.8	-64.4	0	0	0	109.4	A843 L845 A955 F956 R957 R962 F1034	A843-I1036 CarbonylContact O-C 3.15Å; A843-I1036 WeakPolarHBondContact O-CA 3.41Å; L845-I1036 HydrophobicContact CB-CG2 3.87Å; L845-I1036 HydrophobicContact CD1-CG2 4.22Å; A955-I1036 HydrophobicContact CB-CD1 3.93Å; F956-I1036 WeakPolarHBondContact O-CD1 3.4Å; F956-I1036 VanDerWaalsContact O-CG1 3.29Å; F956-I1036 WeakPolarHBondContact O-CG1 3.35Å; R957-I1036 HydrophobicContact CB-CB 4.36Å; R957-I1036 HydrophobicContact CB-CG1 4.12Å; R957-I1036 HydrophobicContact CB-CG2 4.37Å; R962-I1036 PolarHBondContact O-N 3.22Å; F1034-I1036 HydrophobicContact CD2-CD1 3.96Å; F1034-I1036 HydrophobicContact CE2-CD1 3.58Å; F1034-I1036 HydrophobicContact CE2-CG1 4.39Å
1037	V	77.9	Confident	70.6	Confident	43 Å²	43	65.1 Å²	65.1	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.7	164.9	-173.5	0	0	0	0	107.3	Q842 A843 K844 L845 P1039	Q842-V1037 HydrophobicContact CB-CG2 4.3Å; A843-V1037 PolarHBondContact O-N 2.88Å; K844-V1037 WeakPolarHBondContact CA-O 3.21Å; L845-V1037 PolarHBondContact N-O 2.6Å; V1037-P1039 WeakPolarHBondContact O-CD 3.36Å
1038	D	68.2	Low	68.9	Low	16 Å²	16	59 Å²	59	9%	0.086	32%	0.32	C	S	.	.			trans	-95.2	111.7	174	-177.3	-19.9	0	0	0	108.7	R957 Q1040 E1041 E1042	R957-D1038 IonicContact CZ-OD2 3.7Å; R957-D1038 IonicContact NH1-OD2 2.68Å; R957-D1038 PolarHBondContact NH1-OD2 3.39Å; R957-D1038 IonicContact NH2-OD2 3.63Å; R957-D1038 PolarHBondContact NH2-OD2 2.95Å; D1038-Q1040 PolarHBondContact O-N 3.14Å; D1038-Q1040 WeakPolarHBondContact OD1-CB 3.44Å; D1038-Q1040 PolarHBondContact OD1-N 2.98Å; D1038-E1041 HydrophobicContact CB-CB 3.72Å; D1038-E1041 PolarHBondContact O-N 2.88Å; D1038-E1041 VanDerWaalsContact O-N 3.08Å; D1038-E1041 PolarHBondContact OD1-N 2.8Å; D1038-E1042 PolarHBondContact O-N 2.89Å
1039	P	64.8	Low	67.2	Low	55 Å²	55	62 Å²	62	36%	0.357	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-28.1	-179.7	-22.3	34.2	0	0	0	112.9	K844 V1037 E1042 E1043	K844-P1039 HydrophobicContact CB-CG 4.45Å; K844-P1039 HydrophobicContact CD-CG 4.39Å; K844-P1039 HydrophobicContact CG-CG 4.35Å; V1037-P1039 WeakPolarHBondContact O-CD 3.36Å; P1039-E1042 PolarHBondContact O-N 3.09Å; P1039-E1043 VanDerWaalsContact O-CB 3.27Å; P1039-E1043 WeakPolarHBondContact O-CB 3.32Å; P1039-E1043 PolarHBondContact O-N 2.93Å
1040	Q	63.2	Low	65.8	Low	145 Å²	145	67.5 Å²	67.5	68%	0.678	36%	0.358	S	S	*	.	H	α-helix	trans	-74.4	-34.6	175.5	-62.7	-172.8	-22.4	0	0	111.2	D1038 E1042 E1043 I1044	D1038-Q1040 PolarHBondContact O-N 3.14Å; D1038-Q1040 WeakPolarHBondContact OD1-CB 3.44Å; D1038-Q1040 PolarHBondContact OD1-N 2.98Å; Q1040-E1042 VanDerWaalsContact C-N 3.35Å; Q1040-E1043 PolarHBondContact O-N 3.4Å; Q1040-I1044 VanDerWaalsContact O-CB 3.24Å; Q1040-I1044 WeakPolarHBondContact O-CB 3.17Å; Q1040-I1044 WeakPolarHBondContact O-CD1 3.4Å; Q1040-I1044 WeakPolarHBondContact O-CG1 3.5Å; Q1040-I1044 PolarHBondContact O-N 2.95Å
1041	E	57.4	Low	64	Low	70 Å²	70	74.4 Å²	74.4	33%	0.327	39%	0.389	S	S	.	.	H	α-helix	trans	-69.2	-35.7	173	-157.4	174.4	-159.1	0	0	111	R962 D1038 I1044 V1045	R962-E1041 IonicContact CZ-OE1 2.71Å; R962-E1041 IonicContact CZ-OE2 2.95Å; R962-E1041 VanDerWaalsContact CZ-OE2 3.26Å; R962-E1041 IonicContact NE-OE1 2.66Å; R962-E1041 IonicContact NE-OE2 2.64Å; R962-E1041 PolarHBondContact NE-OE2 2.99Å; R962-E1041 IonicContact NH2-OE1 3.58Å; R962-E1041 PolarHBondContact NH2-OE1 3.2Å; R962-E1041 IonicContact NH2-OE2 3.18Å; R962-E1041 PolarHBondContact NH2-OE2 2.03Å; D1038-E1041 HydrophobicContact CB-CB 3.72Å; D1038-E1041 PolarHBondContact O-N 2.88Å; D1038-E1041 VanDerWaalsContact O-N 3.08Å; D1038-E1041 PolarHBondContact OD1-N 2.8Å; E1041-I1044 PolarHBondContact O-N 3.11Å; E1041-V1045 WeakPolarHBondContact O-CB 3.44Å; E1041-V1045 VanDerWaalsContact O-CG2 3.28Å; E1041-V1045 WeakPolarHBondContact O-CG2 3.4Å; E1041-V1045 PolarHBondContact O-N 3.03Å
1042	E	56.1	Low	61.6	Low	84 Å²	84	79.4 Å²	79.4	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-69.2	-39.6	172.3	-154.8	-165.5	157.6	0	0	112.2	D1038 P1039 Q1040 V1045 K1046	D1038-E1042 PolarHBondContact O-N 2.89Å; P1039-E1042 PolarHBondContact O-N 3.09Å; Q1040-E1042 VanDerWaalsContact C-N 3.35Å; E1042-V1045 PolarHBondContact O-N 2.89Å; E1042-K1046 VanDerWaalsContact CD-NZ 3.26Å; E1042-K1046 WeakPolarHBondContact O-CB 3.2Å; E1042-K1046 VanDerWaalsContact O-CG 3.26Å; E1042-K1046 WeakPolarHBondContact O-CG 2.85Å; E1042-K1046 PolarHBondContact O-N 3.5Å; E1042-K1046 WeakPolarHBondContact OE1-CE 3.38Å; E1042-K1046 IonicContact OE1-NZ 3.13Å; E1042-K1046 PolarHBondContact OE1-NZ 2.96Å; E1042-K1046 IonicContact OE2-NZ 2.7Å
1043	E	56.8	Low	59.2	Low	87 Å²	87	84.1 Å²	84.1	41%	0.407	43%	0.426	S	S	.	.	H	α-helix	trans	-67.5	-37.7	173.6	-156.7	76.3	-121.3	0	0	111	P1039 Q1040 K1046 Q1047	P1039-E1043 VanDerWaalsContact O-CB 3.27Å; P1039-E1043 WeakPolarHBondContact O-CB 3.32Å; P1039-E1043 PolarHBondContact O-N 2.93Å; Q1040-E1043 PolarHBondContact O-N 3.4Å; E1043-K1046 CarbonylContact O-C 3.53Å; E1043-K1046 PolarHBondContact O-N 2.75Å; E1043-Q1047 WeakPolarHBondContact O-CB 3.46Å; E1043-Q1047 WeakPolarHBondContact O-CG 3.47Å; E1043-Q1047 PolarHBondContact O-N 2.87Å
1044	I	56.6	Low	56.8	Low	105 Å²	105	87.2 Å²	87.2	54%	0.538	45%	0.447	S	S	.	.	H	α-helix	trans	-69.3	-35.8	173.9	-73.3	163.9	0	0	0	111.1	Q1040 E1041 Q1047 A1048	Q1040-I1044 VanDerWaalsContact O-CB 3.24Å; Q1040-I1044 WeakPolarHBondContact O-CB 3.17Å; Q1040-I1044 WeakPolarHBondContact O-CD1 3.4Å; Q1040-I1044 WeakPolarHBondContact O-CG1 3.5Å; Q1040-I1044 PolarHBondContact O-N 2.95Å; E1041-I1044 PolarHBondContact O-N 3.11Å; I1044-Q1047 PolarHBondContact O-N 2.98Å; I1044-A1048 WeakPolarHBondContact O-CB 3.4Å; I1044-A1048 PolarHBondContact O-N 2.97Å
1045	V	52.8	Low	54.4	Low	94 Å²	94	94.5 Å²	94.5	57%	0.57	48%	0.481	S	S	*	.	H	α-helix	trans	-69.7	-39.4	172.2	167.3	0	0	0	0	111	E1041 E1042 A1048 A1049	E1041-V1045 WeakPolarHBondContact O-CB 3.44Å; E1041-V1045 VanDerWaalsContact O-CG2 3.28Å; E1041-V1045 WeakPolarHBondContact O-CG2 3.4Å; E1041-V1045 PolarHBondContact O-N 3.03Å; E1042-V1045 PolarHBondContact O-N 2.89Å; V1045-A1048 PolarHBondContact O-N 2.86Å; V1045-A1049 VanDerWaalsContact O-CB 3.28Å; V1045-A1049 WeakPolarHBondContact O-CB 3.4Å; V1045-A1049 PolarHBondContact O-N 3.15Å
1046	K	52.6	Low	51.9	Low	88 Å²	88	99.3 Å²	99.3	38%	0.383	50%	0.499	S	S	.	.	H	α-helix	trans	-67.9	-35	172.6	-73.1	166.8	-173.2	167.8	0	112.3	E1042 E1043 R1050	E1042-K1046 VanDerWaalsContact CD-NZ 3.26Å; E1042-K1046 WeakPolarHBondContact O-CB 3.2Å; E1042-K1046 VanDerWaalsContact O-CG 3.26Å; E1042-K1046 WeakPolarHBondContact O-CG 2.85Å; E1042-K1046 PolarHBondContact O-N 3.5Å; E1042-K1046 WeakPolarHBondContact OE1-CE 3.38Å; E1042-K1046 IonicContact OE1-NZ 3.13Å; E1042-K1046 PolarHBondContact OE1-NZ 2.96Å; E1042-K1046 IonicContact OE2-NZ 2.7Å; E1043-K1046 CarbonylContact O-C 3.53Å; E1043-K1046 PolarHBondContact O-N 2.75Å; K1046-R1050 VanDerWaalsContact O-CB 3.27Å; K1046-R1050 WeakPolarHBondContact O-CB 3.5Å; K1046-R1050 WeakPolarHBondContact O-CD 3.3Å; K1046-R1050 WeakPolarHBondContact O-CG 3.32Å; K1046-R1050 PolarHBondContact O-N 2.89Å
1047	Q	56.3	Low	49.6	Very low	91 Å²	91	104.9 Å²	104.9	43%	0.425	53%	0.534	S	S	.	.	H	α-helix	trans	-72.2	-42	174	-76.1	172.7	16.6	0	0	110.7	E1043 I1044 A1049 R1050 Q1051	E1043-Q1047 WeakPolarHBondContact O-CB 3.46Å; E1043-Q1047 WeakPolarHBondContact O-CG 3.47Å; E1043-Q1047 PolarHBondContact O-N 2.87Å; I1044-Q1047 PolarHBondContact O-N 2.98Å; Q1047-A1049 VanDerWaalsContact C-N 3.32Å; Q1047-A1049 PolarHBondContact O-N 3.47Å; Q1047-R1050 CarbonylContact O-C 3.53Å; Q1047-R1050 PolarHBondContact O-N 3.28Å; Q1047-R1050 VanDerWaalsContact O-N 3.13Å; Q1047-Q1051 WeakPolarHBondContact O-CA 3.32Å; Q1047-Q1051 WeakPolarHBondContact O-CB 3.3Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.37Å; Q1047-Q1051 PolarHBondContact O-N 3.16Å
1048	A	47.7	Very low	47.4	Very low	54 Å²	54	110.3 Å²	110.3	45%	0.446	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-37.5	172.7	0	0	0	0	0	112	I1044 V1045 Q1051 Y1052	I1044-A1048 WeakPolarHBondContact O-CB 3.4Å; I1044-A1048 PolarHBondContact O-N 2.97Å; V1045-A1048 PolarHBondContact O-N 2.86Å; A1048-Q1051 CarbonylContact O-C 3.54Å; A1048-Q1051 PolarHBondContact O-N 2.85Å; A1048-Y1052 PolarHBondContact O-N 3.23Å
1049	A	45	Very low	45.8	Very low	75 Å²	75	112 Å²	112	62%	0.62	58%	0.583	S	S	*	*	H	α-helix	trans	-67.5	-36.3	171.6	0	0	0	0	0	112.6	V1045 Q1047	V1045-A1049 VanDerWaalsContact O-CB 3.28Å; V1045-A1049 WeakPolarHBondContact O-CB 3.4Å; V1045-A1049 PolarHBondContact O-N 3.15Å; Q1047-A1049 VanDerWaalsContact C-N 3.32Å; Q1047-A1049 PolarHBondContact O-N 3.47Å
1050	R	48	Very low	44.4	Very low	171 Å²	171	116 Å²	116	65%	0.645	61%	0.607	S	S	*	*	H	α-helix	trans	-79.9	-15.2	173.7	-73	167.3	172.3	163.6	-4.2	114.1	K1046 Q1047 I1053	K1046-R1050 VanDerWaalsContact O-CB 3.27Å; K1046-R1050 WeakPolarHBondContact O-CB 3.5Å; K1046-R1050 WeakPolarHBondContact O-CD 3.3Å; K1046-R1050 WeakPolarHBondContact O-CG 3.32Å; K1046-R1050 PolarHBondContact O-N 2.89Å; Q1047-R1050 CarbonylContact O-C 3.53Å; Q1047-R1050 PolarHBondContact O-N 3.28Å; Q1047-R1050 VanDerWaalsContact O-N 3.13Å; R1050-I1053 WeakPolarHBondContact O-CD1 3.39Å; R1050-I1053 WeakPolarHBondContact O-CG1 3.35Å
1051	Q	42.8	Very low	43	Very low	149 Å²	149	115.9 Å²	115.9	70%	0.696	61%	0.61	S	S	*	*	H	α-helix	trans	-103	-1.5	176.9	-73.1	176.9	-41	0	0	112.1	Q1047 A1048 I1053	Q1047-Q1051 WeakPolarHBondContact O-CA 3.32Å; Q1047-Q1051 WeakPolarHBondContact O-CB 3.3Å; Q1047-Q1051 WeakPolarHBondContact O-CG 3.37Å; Q1047-Q1051 PolarHBondContact O-N 3.16Å; A1048-Q1051 CarbonylContact O-C 3.54Å; A1048-Q1051 PolarHBondContact O-N 2.85Å; Q1051-I1053 PolarHBondContact O-N 2.93Å
1052	Y	33.9	Very low	41.7	Very low	206 Å²	206	120.2 Å²	120.2	81%	0.808	63%	0.628	S	S	*	*			trans	-76.9	42.1	164.2	-144.4	-93.5	0	0	0	111.8	A1048	A1048-Y1052 PolarHBondContact O-N 3.23Å
1053	I	31.8	Very low	40.8	Very low	115 Å²	115	123.6 Å²	123.6	59%	0.59	65%	0.647	S	S	*	*			trans	-92.2	117.3	169.4	-61	170.1	0	0	0	106.7	R1050 Q1051 H1055	R1050-I1053 WeakPolarHBondContact O-CD1 3.39Å; R1050-I1053 WeakPolarHBondContact O-CG1 3.35Å; Q1051-I1053 PolarHBondContact O-N 2.93Å; I1053-H1055 PolarHBondContact O-N 3.5Å
1054	P	30.9	Very low	39.6	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	67%	0.665	S	S	*	*			trans	-75.6	95.4	174.8	29.6	-32.6	0	0	0	110.9
1055	H	33.1	Very low	38.5	Very low	155 Å²	155	128.2 Å²	128.2	72%	0.718	68%	0.681	S	S	*	*			trans	-51.4	140.1	166.2	-73.7	-82.7	0	0	0	110.9	I1053	I1053-H1055 PolarHBondContact O-N 3.5Å
1056	Q	32.2	Very low	37.4	Very low	156 Å²	156	129.6 Å²	129.6	73%	0.729	69%	0.69	S	S	*	*			cis	103.8	152.6	30.1	-169.9	-173.6	15.7	0	0	111.9
1057	V	33.2	Very low	36.4	Very low	121 Å²	121	130 Å²	130	73%	0.733	70%	0.704	S	S	*	*			trans	83	124	176.1	-174.3	0	0	0	0	113.3
1058	D	32.7	Very low	35.2	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	72%	0.724	S	S	*	*			cis	-155.1	-177.8	-6.4	-123.5	-18.7	0	0	0	109.4
1059	G	34.9	Very low	34.4	Very low	53 Å²	53	134.6 Å²	134.6	55%	0.546	74%	0.743	S	S	.	*			cis	169.8	176.4	1.8	0	0	0	0	0	112.7
1060	T	33.6	Very low	33.8	Very low	139 Å²	139	139 Å²	139	85%	0.853	75%	0.751	S	S	*	*			trans	37.4	107.1	169.6	61.1	0	0	0	0	120
1061	D	34.1	Very low	33.2	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	76%	0.758	S	S	*	*				-172.8	158.1	87.6	-137.4	-5.5	0	0	0	113.9
1062	F	30.9	Very low	32.8	Very low	161 Å²	161	139.3 Å²	139.3	71%	0.706	76%	0.757	S	S	*	*			trans	69	95.4	168.7	-70.4	-78.4	0	0	0	125
1063	I	36.2	Very low	32.6	Very low	154 Å²	154	135.8 Å²	135.8	79%	0.79	76%	0.757	S	S	*	*				71.4	134.4	129.7	-61.8	-179.6	0	0	0	123.1
1064	D	32	Very low	32.9	Very low	145 Å²	145	139.8 Å²	139.8	78%	0.775	77%	0.765	S	S	*	*			trans	-70.3	148.1	173.9	-71.3	-72.6	0	0	0	117
1065	V	33	Very low	33.2	Very low	144 Å²	144	139.7 Å²	139.7	87%	0.873	76%	0.761	S	S	*	*				-144.7	151.2	122.6	178.3	0	0	0	0	109.3
1066	T	31.4	Very low	33.7	Very low	123 Å²	123	138.1 Å²	138.1	76%	0.755	77%	0.766	S	S	*	*			trans	-83.7	149.2	-169.5	53.9	0	0	0	0	117.3
1067	S	31.6	Very low	34.2	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	77%	0.766	S	S	*	*			trans	123.6	133.3	134.4	-158.9	0	0	0	0	117.7
1068	N	29.8	Very low	34.7	Very low	158 Å²	158	136.6 Å²	136.6	85%	0.845	76%	0.756	S	S	*	*			trans	56.5	93.2	160.6	-64.3	-10.7	0	0	0	121.2
1069	G	32.3	Very low	35.5	Very low	82 Å²	82	138.1 Å²	138.1	85%	0.845	76%	0.755	S	S	*	*				87.9	66.2	110.1	0	0	0	0	0	121.4
1070	E	31.4	Very low	36.3	Very low	168 Å²	168	140.2 Å²	140.2	79%	0.785	76%	0.762	S	S	*	*			trans	-149.4	144.3	158.7	-89.1	-171.8	170.5	0	0	110.2
1071	E	36	Very low	37.2	Very low	168 Å²	168	137 Å²	137	79%	0.785	74%	0.742	S	S	*	*			trans	-141.4	141.3	153.5	-173.6	165.9	-164.1	0	0	112	R1074	E1071-R1074 IonicContact OE1-NH2 3.16Å
1072	K	32.8	Very low	38.1	Very low	159 Å²	159	137.5 Å²	137.5	69%	0.691	74%	0.738	S	S	*	*			trans	-94.7	139.4	-164.1	-66.6	170.5	178.8	173.4	0	113.5
1073	V	31.5	Very low	39.4	Very low	131 Å²	131	134 Å²	134	79%	0.794	73%	0.73	S	S	*	*			trans	-57.6	133.7	170.4	-179.6	0	0	0	0	110.6
1074	R	38	Very low	40.6	Very low	200 Å²	200	128.7 Å²	128.7	76%	0.755	71%	0.712	S	S	*	*			trans	-115.6	127.4	173.9	-56.6	-171	-159.5	-172.5	9	111.1	E1071	E1071-R1074 IonicContact OE1-NH2 3.16Å
1075	V	35.6	Very low	42.3	Very low	120 Å²	120	125.7 Å²	125.7	73%	0.727	70%	0.699	S	S	*	*			trans	-86.5	130.1	177.1	-178.2	0	0	0	0	110.4	F1077	V1075-F1077 HydrophobicContact CG1-CE2 4.37Å
1076	C	45.3	Very low	43.9	Very low	122 Å²	122	121.8 Å²	121.8	82%	0.824	68%	0.678	S	S	*	*			trans	-101.1	114	179.4	-66.4	0	0	0	0	112.6
1077	F	41	Very low	45.9	Very low	163 Å²	163	119.2 Å²	119.2	72%	0.715	67%	0.665	S	S	*	*			trans	-84.5	147.5	166.7	-77.3	-85.6	0	0	0	111.8	V1075	V1075-F1077 HydrophobicContact CG1-CE2 4.37Å
1078	P	44.3	Very low	48.1	Very low	83 Å²	83	121.6 Å²	121.6	54%	0.539	66%	0.664	S	S	.	*			trans	-66.7	143.3	179	26.4	-33.3	0	0	0	112.2	S1080 T1081	P1078-S1080 PolarHBondContact O-N 3.49Å; P1078-T1081 PolarHBondContact O-N 3.27Å; P1078-T1081 VanDerWaalsContact O-N 3.12Å; P1078-T1081 PolarHBondContact O-OG1 3.24Å
1079	K	49.4	Very low	50.5	Low	187 Å²	187	119.3 Å²	119.3	81%	0.813	65%	0.65	S	S	*	*	H	α-helix	trans	-59.2	-18.6	-169.5	-67.8	-178.4	176.2	179.7	0	115.3	V1083	K1079-V1083 WeakPolarHBondContact O-CG2 3.49Å
1080	S	51.9	Low	53	Low	97 Å²	97	116.8 Å²	116.8	68%	0.678	63%	0.625	S	S	*	*	H	α-helix	trans	-77.4	-32.1	177.3	56.6	0	0	0	0	114.4	P1078 G1084	P1078-S1080 PolarHBondContact O-N 3.49Å; S1080-G1084 PolarHBondContact O-N 2.85Å
1081	T	52.3	Low	55.5	Low	71 Å²	71	114.5 Å²	114.5	44%	0.436	62%	0.615	S	S	.	*	H	α-helix	trans	-74.7	-36.7	176.1	23.2	0	0	0	0	111.5	P1078 V1083 G1084 V1085	P1078-T1081 PolarHBondContact O-N 3.27Å; P1078-T1081 VanDerWaalsContact O-N 3.12Å; P1078-T1081 PolarHBondContact O-OG1 3.24Å; T1081-V1083 PolarHBondContact O-N 2.9Å; T1081-G1084 PolarHBondContact O-N 3.48Å; T1081-V1085 WeakPolarHBondContact O-CB 3.21Å; T1081-V1085 WeakPolarHBondContact O-CG2 3.28Å; T1081-V1085 PolarHBondContact O-N 2.99Å
1082	F	53.9	Low	57.7	Low	153 Å²	153	108.9 Å²	108.9	67%	0.671	59%	0.593	S	S	*	*	H	α-helix	trans	-63.1	-42.7	179	-162.9	-96.3	0	0	0	112.3	V1085 S1086	F1082-V1085 PolarHBondContact O-N 3.44Å; F1082-S1086 WeakPolarHBondContact O-CB 3.45Å; F1082-S1086 PolarHBondContact O-N 2.98Å; F1082-S1086 PolarHBondContact O-OG 2.98Å; F1082-S1086 VanDerWaalsContact O-OG 3.13Å
1083	V	58.4	Low	60.2	Low	89 Å²	89	103.6 Å²	103.6	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-66.8	-37.4	175	176.4	0	0	0	0	111.8	K1079 T1081 S1086 S1087	K1079-V1083 WeakPolarHBondContact O-CG2 3.49Å; T1081-V1083 PolarHBondContact O-N 2.9Å; V1083-S1086 PolarHBondContact O-OG 3.17Å; V1083-S1087 VanDerWaalsContact O-CB 3.22Å; V1083-S1087 WeakPolarHBondContact O-CB 3.48Å; V1083-S1087 PolarHBondContact O-N 3.05Å; V1083-S1087 PolarHBondContact O-OG 2.98Å
1084	G	61.4	Low	62.8	Low	41 Å²	41	101.9 Å²	101.9	42%	0.423	56%	0.564	S	S	.	*	H	α-helix	trans	-63.3	-49.1	174.6	0	0	0	0	0	112.5	S1080 T1081 S1087 F1088	S1080-G1084 PolarHBondContact O-N 2.85Å; T1081-G1084 PolarHBondContact O-N 3.48Å; G1084-S1087 PolarHBondContact O-N 2.72Å; G1084-F1088 WeakPolarHBondContact O-CB 3.49Å; G1084-F1088 PolarHBondContact O-N 3.32Å
1085	V	67.1	Low	64.9	Low	83 Å²	83	96.1 Å²	96.1	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-69	-42.3	-179.1	173.6	0	0	0	0	111.7	T1081 F1082 S1087 F1088 L1089	T1081-V1085 WeakPolarHBondContact O-CB 3.21Å; T1081-V1085 WeakPolarHBondContact O-CG2 3.28Å; T1081-V1085 PolarHBondContact O-N 2.99Å; F1082-V1085 PolarHBondContact O-N 3.44Å; V1085-S1087 PolarHBondContact O-N 3.4Å; V1085-F1088 PolarHBondContact O-N 3.35Å; V1085-L1089 HydrophobicContact CG1-CD1 3.78Å; V1085-L1089 HydrophobicContact CG1-CG 4.24Å; V1085-L1089 WeakPolarHBondContact O-CB 3.46Å; V1085-L1089 WeakPolarHBondContact O-CG 3.44Å; V1085-L1089 PolarHBondContact O-N 2.83Å
1086	S	67.3	Low	67.1	Low	62 Å²	62	95.9 Å²	95.9	43%	0.434	54%	0.542	S	S	.	.	H	α-helix	trans	-67.4	-35.8	177.1	71.1	0	0	0	0	112.4	F1082 V1083 G1090	F1082-S1086 WeakPolarHBondContact O-CB 3.45Å; F1082-S1086 PolarHBondContact O-N 2.98Å; F1082-S1086 PolarHBondContact O-OG 2.98Å; F1082-S1086 VanDerWaalsContact O-OG 3.13Å; V1083-S1086 PolarHBondContact O-OG 3.17Å; S1086-G1090 PolarHBondContact O-N 2.67Å
1087	S	71.9	Confident	68.9	Low	69 Å²	69	94.3 Å²	94.3	48%	0.483	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-40.7	172.5	-58.2	0	0	0	0	111.7	V1083 G1084 V1085 G1090 M1091	V1083-S1087 VanDerWaalsContact O-CB 3.22Å; V1083-S1087 WeakPolarHBondContact O-CB 3.48Å; V1083-S1087 PolarHBondContact O-N 3.05Å; V1083-S1087 PolarHBondContact O-OG 2.98Å; G1084-S1087 PolarHBondContact O-N 2.72Å; V1085-S1087 PolarHBondContact O-N 3.4Å; S1087-G1090 PolarHBondContact O-N 2.86Å; S1087-M1091 WeakPolarHBondContact O-CB 3.38Å; S1087-M1091 VanDerWaalsContact O-CG 3.3Å; S1087-M1091 WeakPolarHBondContact O-CG 3.31Å; S1087-M1091 PolarHBondContact O-N 2.96Å
1088	F	78	Confident	71	Confident	148 Å²	148	91.1 Å²	91.1	65%	0.649	52%	0.521	S	S	*	.	H	α-helix	trans	-68.9	-46.4	178.9	-159.6	-92.6	0	0	0	111.8	G1084 V1085 G1090 M1091 V1092	G1084-F1088 WeakPolarHBondContact O-CB 3.49Å; G1084-F1088 PolarHBondContact O-N 3.32Å; V1085-F1088 PolarHBondContact O-N 3.35Å; F1088-G1090 VanDerWaalsContact C-N 3.33Å; F1088-G1090 PolarHBondContact O-N 3.05Å; F1088-M1091 PolarHBondContact O-N 3.35Å; F1088-V1092 HydrophobicContact CD1-CG2 4.14Å; F1088-V1092 HydrophobicContact CE1-CG2 4.09Å; F1088-V1092 WeakPolarHBondContact O-CG2 3.44Å; F1088-V1092 PolarHBondContact O-N 3.4Å
1089	L	81.2	Confident	72.7	Confident	109 Å²	109	89.3 Å²	89.3	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-37.7	174.3	-69.8	174.1	0	0	0	111.9	V1085 V1092 A1093	V1085-L1089 HydrophobicContact CG1-CD1 3.78Å; V1085-L1089 HydrophobicContact CG1-CG 4.24Å; V1085-L1089 WeakPolarHBondContact O-CB 3.46Å; V1085-L1089 WeakPolarHBondContact O-CG 3.44Å; V1085-L1089 PolarHBondContact O-N 2.83Å; L1089-V1092 PolarHBondContact O-N 2.84Å; L1089-A1093 WeakPolarHBondContact O-CB 3.36Å; L1089-A1093 PolarHBondContact O-N 2.76Å
1090	G	85.1	Confident	74.2	Confident	30 Å²	30	85 Å²	85	31%	0.309	50%	0.498	S	S	.	.	H	α-helix	trans	-62	-43.1	172.5	0	0	0	0	0	112.4	S1086 S1087 F1088 A1093 I1094	S1086-G1090 PolarHBondContact O-N 2.67Å; S1087-G1090 PolarHBondContact O-N 2.86Å; F1088-G1090 VanDerWaalsContact C-N 3.33Å; F1088-G1090 PolarHBondContact O-N 3.05Å; G1090-A1093 PolarHBondContact O-N 3.06Å; G1090-I1094 WeakPolarHBondContact O-CB 3.38Å; G1090-I1094 VanDerWaalsContact O-CG1 3.24Å; G1090-I1094 WeakPolarHBondContact O-CG1 3.24Å; G1090-I1094 PolarHBondContact O-N 2.87Å
1091	M	83.8	Confident	75.5	Confident	119 Å²	119	82 Å²	82	59%	0.586	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-37.8	174.6	-74.1	-66.3	-74.6	0	0	112.8	S1087 F1088 T1095	S1087-M1091 WeakPolarHBondContact O-CB 3.38Å; S1087-M1091 VanDerWaalsContact O-CG 3.3Å; S1087-M1091 WeakPolarHBondContact O-CG 3.31Å; S1087-M1091 PolarHBondContact O-N 2.96Å; F1088-M1091 PolarHBondContact O-N 3.35Å; M1091-T1095 WeakPolarHBondContact O-CB 3.28Å; M1091-T1095 WeakPolarHBondContact O-CG2 3.38Å; M1091-T1095 PolarHBondContact O-N 3.41Å; M1091-T1095 PolarHBondContact O-OG1 3.38Å
1092	V	82.6	Confident	76.7	Confident	51 Å²	51	83.3 Å²	83.3	31%	0.309	49%	0.485	S	S	.	.	H	α-helix	trans	-63.6	-45.8	172	171.9	0	0	0	0	111.2	F1088 L1089 T1095 Q1096	F1088-V1092 HydrophobicContact CD1-CG2 4.14Å; F1088-V1092 HydrophobicContact CE1-CG2 4.09Å; F1088-V1092 WeakPolarHBondContact O-CG2 3.44Å; F1088-V1092 PolarHBondContact O-N 3.4Å; L1089-V1092 PolarHBondContact O-N 2.84Å; V1092-T1095 WeakPolarHBondContact CA-OG1 3.27Å; V1092-T1095 PolarHBondContact O-N 2.86Å; V1092-T1095 PolarHBondContact O-OG1 3.32Å; V1092-T1095 VanDerWaalsContact O-OG1 3.06Å; V1092-Q1096 HydrophobicContact CG1-CG 4.44Å; V1092-Q1096 WeakPolarHBondContact O-CB 3.35Å; V1092-Q1096 VanDerWaalsContact O-CG 3.27Å; V1092-Q1096 WeakPolarHBondContact O-CG 3.36Å; V1092-Q1096 PolarHBondContact O-N 2.83Å
1093	A	84	Confident	77.6	Confident	47 Å²	47	80.4 Å²	80.4	39%	0.388	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-44.4	176.4	0	0	0	0	0	112.1	L1089 G1090 Q1096 C1097	L1089-A1093 WeakPolarHBondContact O-CB 3.36Å; L1089-A1093 PolarHBondContact O-N 2.76Å; G1090-A1093 PolarHBondContact O-N 3.06Å; A1093-Q1096 PolarHBondContact O-N 3.25Å; A1093-C1097 WeakPolarHBondContact O-CB 3.46Å; A1093-C1097 PolarHBondContact O-N 2.78Å; A1093-C1097 PolarHBondContact O-SG 2.89Å
1094	I	86.6	Confident	78	Confident	95 Å²	95	81.5 Å²	81.5	49%	0.487	48%	0.477	S	S	.	.	H	α-helix	trans	-64.2	-43.9	177.3	-71.6	165.8	0	0	0	110.9	G1090 C1097 I1098	G1090-I1094 WeakPolarHBondContact O-CB 3.38Å; G1090-I1094 VanDerWaalsContact O-CG1 3.24Å; G1090-I1094 WeakPolarHBondContact O-CG1 3.24Å; G1090-I1094 PolarHBondContact O-N 2.87Å; I1094-C1097 PolarHBondContact O-N 3.47Å; I1094-I1098 HydrophobicContact CG2-CD1 3.75Å; I1094-I1098 HydrophobicContact CG2-CG1 4.45Å; I1094-I1098 WeakPolarHBondContact O-CB 3.32Å; I1094-I1098 VanDerWaalsContact O-CG1 3.28Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.42Å; I1094-I1098 PolarHBondContact O-N 2.91Å
1095	T	81.4	Confident	78.2	Confident	80 Å²	80	83.9 Å²	83.9	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-67.4	-36.9	177.3	48.9	0	0	0	0	112.6	M1091 V1092 I1098 A1099	M1091-T1095 WeakPolarHBondContact O-CB 3.28Å; M1091-T1095 WeakPolarHBondContact O-CG2 3.38Å; M1091-T1095 PolarHBondContact O-N 3.41Å; M1091-T1095 PolarHBondContact O-OG1 3.38Å; V1092-T1095 WeakPolarHBondContact CA-OG1 3.27Å; V1092-T1095 PolarHBondContact O-N 2.86Å; V1092-T1095 PolarHBondContact O-OG1 3.32Å; V1092-T1095 VanDerWaalsContact O-OG1 3.06Å; T1095-I1098 PolarHBondContact O-N 3.33Å; T1095-A1099 WeakPolarHBondContact O-CB 3.46Å; T1095-A1099 PolarHBondContact O-N 2.88Å
1096	Q	81.9	Confident	77.8	Confident	115 Å²	115	90 Å²	90	54%	0.537	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-45.3	170.8	-74.6	177.5	-3.2	0	0	111.7	V1092 A1093 I1098 A1099 I1100	V1092-Q1096 HydrophobicContact CG1-CG 4.44Å; V1092-Q1096 WeakPolarHBondContact O-CB 3.35Å; V1092-Q1096 VanDerWaalsContact O-CG 3.27Å; V1092-Q1096 WeakPolarHBondContact O-CG 3.36Å; V1092-Q1096 PolarHBondContact O-N 2.83Å; A1093-Q1096 PolarHBondContact O-N 3.25Å; Q1096-I1098 PolarHBondContact O-N 3.32Å; Q1096-A1099 PolarHBondContact O-N 2.82Å; Q1096-I1100 WeakPolarHBondContact O-CB 3.26Å; Q1096-I1100 VanDerWaalsContact O-CG1 3.26Å; Q1096-I1100 WeakPolarHBondContact O-CG1 3.24Å; Q1096-I1100 PolarHBondContact O-N 3.37Å
1097	C	83.6	Confident	77.2	Confident	88 Å²	88	96.3 Å²	96.3	60%	0.595	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-38.3	176.2	-74.4	0	0	0	0	112.8	A1093 I1094 G1101	A1093-C1097 WeakPolarHBondContact O-CB 3.46Å; A1093-C1097 PolarHBondContact O-N 2.78Å; A1093-C1097 PolarHBondContact O-SG 2.89Å; I1094-C1097 PolarHBondContact O-N 3.47Å; C1097-G1101 PolarHBondContact O-N 2.86Å
1098	I	85.1	Confident	76.3	Confident	97 Å²	97	97.8 Å²	97.8	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-67.2	-43	173.6	-69.8	168	0	0	0	110.5	I1094 T1095 Q1096 G1101 L1102	I1094-I1098 HydrophobicContact CG2-CD1 3.75Å; I1094-I1098 HydrophobicContact CG2-CG1 4.45Å; I1094-I1098 WeakPolarHBondContact O-CB 3.32Å; I1094-I1098 VanDerWaalsContact O-CG1 3.28Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.42Å; I1094-I1098 PolarHBondContact O-N 2.91Å; T1095-I1098 PolarHBondContact O-N 3.33Å; Q1096-I1098 PolarHBondContact O-N 3.32Å; I1098-G1101 PolarHBondContact O-N 3.46Å; I1098-L1102 HydrophobicContact CG2-CD1 3.93Å; I1098-L1102 HydrophobicContact CG2-CG 4.42Å; I1098-L1102 WeakPolarHBondContact O-CB 3.3Å; I1098-L1102 VanDerWaalsContact O-CG 3.3Å; I1098-L1102 WeakPolarHBondContact O-CG 3.35Å; I1098-L1102 PolarHBondContact O-N 2.82Å
1099	A	79.9	Confident	74.8	Confident	45 Å²	45	99.5 Å²	99.5	37%	0.372	53%	0.529	S	S	.	.	H	α-helix	trans	-61.9	-47	175.9	0	0	0	0	0	111.7	T1095 Q1096 G1101 L1102 I1103	T1095-A1099 WeakPolarHBondContact O-CB 3.46Å; T1095-A1099 PolarHBondContact O-N 2.88Å; Q1096-A1099 PolarHBondContact O-N 2.82Å; A1099-G1101 PolarHBondContact O-N 2.74Å; A1099-L1102 PolarHBondContact O-N 2.88Å; A1099-I1103 WeakPolarHBondContact O-CB 3.47Å; A1099-I1103 WeakPolarHBondContact O-CD1 3.41Å; A1099-I1103 VanDerWaalsContact O-CG1 3.24Å; A1099-I1103 WeakPolarHBondContact O-CG1 3.22Å; A1099-I1103 PolarHBondContact O-N 3.29Å
1100	I	80.8	Confident	73	Confident	97 Å²	97	101 Å²	101	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-62.2	-42.7	175.2	-67.8	165	0	0	0	110.3	Q1096 L1102 I1103 M1104	Q1096-I1100 WeakPolarHBondContact O-CB 3.26Å; Q1096-I1100 VanDerWaalsContact O-CG1 3.26Å; Q1096-I1100 WeakPolarHBondContact O-CG1 3.24Å; Q1096-I1100 PolarHBondContact O-N 3.37Å; I1100-L1102 PolarHBondContact O-N 3.26Å; I1100-I1103 PolarHBondContact O-N 3.47Å; I1100-M1104 HydrophobicContact CG2-CG 4.18Å; I1100-M1104 WeakPolarHBondContact O-CB 3.41Å; I1100-M1104 VanDerWaalsContact O-CG 3.22Å; I1100-M1104 WeakPolarHBondContact O-CG 3.44Å; I1100-M1104 PolarHBondContact O-N 2.88Å
1101	G	78.8	Confident	71	Confident	32 Å²	32	108.6 Å²	108.6	33%	0.33	56%	0.561	S	S	.	*	H	α-helix	trans	-61.9	-39.7	175.5	0	0	0	0	0	113.4	C1097 I1098 A1099 T1105	C1097-G1101 PolarHBondContact O-N 2.86Å; I1098-G1101 PolarHBondContact O-N 3.46Å; A1099-G1101 PolarHBondContact O-N 2.74Å; G1101-T1105 WeakPolarHBondContact O-CB 3.29Å; G1101-T1105 WeakPolarHBondContact O-CG2 3.45Å; G1101-T1105 PolarHBondContact O-N 2.78Å; G1101-T1105 PolarHBondContact O-OG1 3.09Å
1102	L	78.3	Confident	68.8	Low	100 Å²	100	113.4 Å²	113.4	52%	0.524	58%	0.579	S	S	.	*	H	α-helix	trans	-70.9	-35.3	174.5	-72.1	171.2	0	0	0	112.4	I1098 A1099 I1100 T1105 R1106	I1098-L1102 HydrophobicContact CG2-CD1 3.93Å; I1098-L1102 HydrophobicContact CG2-CG 4.42Å; I1098-L1102 WeakPolarHBondContact O-CB 3.3Å; I1098-L1102 VanDerWaalsContact O-CG 3.3Å; I1098-L1102 WeakPolarHBondContact O-CG 3.35Å; I1098-L1102 PolarHBondContact O-N 2.82Å; A1099-L1102 PolarHBondContact O-N 2.88Å; I1100-L1102 PolarHBondContact O-N 3.26Å; L1102-T1105 WeakPolarHBondContact CA-OG1 3.39Å; L1102-T1105 PolarHBondContact O-OG1 2.88Å; L1102-R1106 VanDerWaalsContact O-CB 3.28Å; L1102-R1106 WeakPolarHBondContact O-CB 3.28Å; L1102-R1106 VanDerWaalsContact O-CG 3.29Å; L1102-R1106 WeakPolarHBondContact O-CG 3.39Å; L1102-R1106 PolarHBondContact O-N 3.02Å
1103	I	73.1	Confident	66.9	Low	91 Å²	91	113.6 Å²	113.6	47%	0.467	59%	0.591	S	S	.	*	H	α-helix	trans	-68.6	-44.9	173.6	-70.2	163.3	0	0	0	110.5	A1099 I1100 R1106 R1107	A1099-I1103 WeakPolarHBondContact O-CB 3.47Å; A1099-I1103 WeakPolarHBondContact O-CD1 3.41Å; A1099-I1103 VanDerWaalsContact O-CG1 3.24Å; A1099-I1103 WeakPolarHBondContact O-CG1 3.22Å; A1099-I1103 PolarHBondContact O-N 3.29Å; I1100-I1103 PolarHBondContact O-N 3.47Å; I1103-R1106 PolarHBondContact O-N 3.35Å; I1103-R1107 WeakPolarHBondContact O-CB 3.4Å; I1103-R1107 WeakPolarHBondContact O-CG 3.39Å; I1103-R1107 PolarHBondContact O-N 2.79Å
1104	M	66.7	Low	65.2	Low	113 Å²	113	119.3 Å²	119.3	56%	0.557	62%	0.615	S	S	*	*	H	α-helix	trans	-62.2	-49.8	176	-73.4	-67.8	-175.5	0	0	111.1	I1100 R1106 R1107 S1108	I1100-M1104 HydrophobicContact CG2-CG 4.18Å; I1100-M1104 WeakPolarHBondContact O-CB 3.41Å; I1100-M1104 VanDerWaalsContact O-CG 3.22Å; I1100-M1104 WeakPolarHBondContact O-CG 3.44Å; I1100-M1104 PolarHBondContact O-N 2.88Å; M1104-R1106 VanDerWaalsContact C-N 3.31Å; M1104-R1106 PolarHBondContact O-N 3.41Å; M1104-R1107 PolarHBondContact O-N 3.07Å; M1104-R1107 VanDerWaalsContact O-N 3.09Å; M1104-S1108 WeakPolarHBondContact O-CB 3.32Å; M1104-S1108 PolarHBondContact O-N 3.49Å; M1104-S1108 PolarHBondContact O-OG 3.43Å; M1104-S1108 VanDerWaalsContact O-OG 3.07Å
1105	T	64.1	Low	62.8	Low	90 Å²	90	125.5 Å²	125.5	55%	0.552	63%	0.632	S	S	*	*	H	α-helix	trans	-67.4	-27.2	178.9	51.3	0	0	0	0	113.7	G1101 L1102	G1101-T1105 WeakPolarHBondContact O-CB 3.29Å; G1101-T1105 WeakPolarHBondContact O-CG2 3.45Å; G1101-T1105 PolarHBondContact O-N 2.78Å; G1101-T1105 PolarHBondContact O-OG1 3.09Å; L1102-T1105 WeakPolarHBondContact CA-OG1 3.39Å; L1102-T1105 PolarHBondContact O-OG1 2.88Å
1106	R	59	Low	60.7	Low	211 Å²	211	129.1 Å²	129.1	80%	0.796	65%	0.648	S	S	*	*	H	α-helix	trans	-74.7	-33.4	168.4	-77.2	-179.8	169.4	-170	-2.9	113.2	L1102 I1103 M1104	L1102-R1106 VanDerWaalsContact O-CB 3.28Å; L1102-R1106 WeakPolarHBondContact O-CB 3.28Å; L1102-R1106 VanDerWaalsContact O-CG 3.29Å; L1102-R1106 WeakPolarHBondContact O-CG 3.39Å; L1102-R1106 PolarHBondContact O-N 3.02Å; I1103-R1106 PolarHBondContact O-N 3.35Å; M1104-R1106 VanDerWaalsContact C-N 3.31Å; M1104-R1106 PolarHBondContact O-N 3.41Å
1107	R	55.5	Low	58.3	Low	196 Å²	196	136 Å²	136	74%	0.74	68%	0.683	S	S	*	*	H	α-helix	trans	-77.4	-37.2	176.1	-76	-177.8	172.1	-170.4	-2.3	112.9	I1103 M1104 K1109 L1110	I1103-R1107 WeakPolarHBondContact O-CB 3.4Å; I1103-R1107 WeakPolarHBondContact O-CG 3.39Å; I1103-R1107 PolarHBondContact O-N 2.79Å; M1104-R1107 PolarHBondContact O-N 3.07Å; M1104-R1107 VanDerWaalsContact O-N 3.09Å; R1107-K1109 PolarHBondContact O-N 3.44Å; R1107-L1110 PolarHBondContact O-N 3.04Å
1108	S	51.9	Low	57.1	Low	100 Å²	100	138.4 Å²	138.4	70%	0.699	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	10.2	179.9	-59.3	0	0	0	0	115.2	M1104	M1104-S1108 WeakPolarHBondContact O-CB 3.32Å; M1104-S1108 PolarHBondContact O-N 3.49Å; M1104-S1108 PolarHBondContact O-OG 3.43Å; M1104-S1108 VanDerWaalsContact O-OG 3.07Å
1109	K	47.5	Very low	55.6	Low	184 Å²	184	140.6 Å²	140.6	80%	0.8	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	26.8	173.6	-79.4	-163.3	173.8	-174.4	0	114.4	R1107	R1107-K1109 PolarHBondContact O-N 3.44Å
1110	L	44.1	Very low	54.2	Low	139 Å²	139	145.9 Å²	145.9	73%	0.728	72%	0.716	S	S	*	*	S	Bend	trans	-127.8	122.7	165.2	-115.8	92.4	0	0	0	113.3	R1107	R1107-L1110 PolarHBondContact O-N 3.04Å
1111	K	42.3	Very low	52.7	Low	191 Å²	191	148.8 Å²	148.8	83%	0.83	73%	0.729	S	S	*	*			trans	56.9	94.3	159.2	-61.4	-172.6	175.5	-174.8	0	118.8
1112	K	37.3	Very low	51	Low	219 Å²	219	156.1 Å²	156.1	95%	0.952	75%	0.753	S	S	*	*			trans	-80.7	153.5	132.8	-100.5	-179.1	172.5	179.2	0	108.9
1113	G	43.5	Very low	49.2	Very low	56 Å²	56	159.8 Å²	159.8	58%	0.577	77%	0.769	S	S	*	*			trans	99.7	128.9	178.4	0	0	0	0	0	112.5
1114	D	46.9	Very low	47.5	Very low	166 Å²	166	164.7 Å²	164.7	89%	0.888	79%	0.79	S	S	*	*			cis	-152.4	173	-1.9	-107.8	-51.1	0	0	0	113
1115	R	36.2	Very low	46	Very low	226 Å²	226	168.7 Å²	168.7	85%	0.853	81%	0.808	S	S	*	*			trans	-77.1	135	177.3	-63	164.6	162.1	172.2	-8.5	111.8
1116	L	37.7	Very low	44.5	Very low	155 Å²	155	175.3 Å²	175.3	81%	0.812	83%	0.83	S	S	*	*				177.3	143.6	111.6	-117.9	89	0	0	0	111.3
1117	M	32.6	Very low	43.2	Very low	260 Å²	260	172 Å²	172	100%	1.281	83%	0.833	S	S	*	*			trans	65.2	0	-173.6	-60.5	-152	169.1	0	0	115.7

Retrieved 1,117 of 1,117 residues in 1211 ms (Link to these results)

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