A0A087XPF0_POEFO Loading...

Erythrocyte membrane protein band 4.1 like 1

AlphaFold DB , UniProt , Accession A0A087XPF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087XPF0_POEFO|A0A087XPF0
MTTEAILAGEMKTAMEGDARRTNQVPEDQGELDDSSEKTPSKASRSPQKTTKRLKTVPVKVTLLDGSEYDTAVEKFAKGQTLLDMVCGHLNLLERDYFGLTFIDSDSSKNWLDPSKEIKKQIRIGSWTFGFAVKFYPPDPSVLIEDITRYYLCLQLRDDILSGRLPCSFVTHALLGSYTVQAELGDYDPEEHGPDYVSEFHFAPNQTRELEERVMELHRNYRGMTPAEAEMNFLENAKKLSMYGVDLHHAKDSEGIDIMLGVSANGLLIYRDRLRINRFAWPKILKISYKRSNFYIKIRPGEYEQFESTIGFKLPNHRASKRLWKVCIEHHTFFRLVSPEPPPKGFLVIGSKFRYSGRTQAQTRQASALIDRPAPQFDRSVSKRYLQPRSIDGASALGDSMDQLSQRSSSERTQFMSREDLDQEGSLDLDHDHYLYQDQDQYTDQEAEHQDGQKQPVGAISSTPTKALELKDEEPGIPIDTKPEQFLDKPEDVLQKHQASINELKRALKQPNSKKAPREKRLPSATPPAGTPERKTDTPPSPAIHEEHFSESSKEPWERRLGSVSEDDQDHDILYLKETHLGIERKCSSITVSSTSSLEAEVDFTVLTDLQTGMEEFSRGMSELGERDLSPDGGLRFGIDLLQQQGAPEPPPPLVSAPLARGASGSPPARLIQAEEVRPDVRPEVRPEIRPEVRQDVKRPDGQPVVPKKPKRSVPVSSSVDRDQSHKEASRLPTVAPLSREASDVMPTPTVRKTDTRTETQPNGSELTTTIVEFTDQDHGITSLSEVSYSTRQSVSPVHRGGFGRESAGSPILVAENVTSATTHVSKTVKGGYSETRIEKRIIITGDDDVDQEQALAIAIQEAKQQHPDMQVTKAVVIRETEPSAEERHGTT
					

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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	33.3	Very low	33.3	Very low	159 Å²	159	130.4 Å²	130.4	78%	0.783	75%	0.751	S	S	*	*				0	109.9	0	-90.2	120.7	162	0	0	106.7	Q453	M1-Q453 HydrophobicContact CE-CG 3.98Å; M1-Q453 HydrophobicContact SD-CG 3.5Å; M1-Q453 WeakPolarHBondContact SD-CG 3.46Å
2	T	30.7	Very low	33.5	Very low	112 Å²	112	133.8 Å²	133.8	69%	0.687	75%	0.751	S	S	*	*				68	99.4	82.8	57.8	0	0	0	0	113.5
3	T	34.2	Very low	33.5	Very low	132 Å²	132	133.5 Å²	133.5	81%	0.81	75%	0.754	S	S	*	*				65.4	151.2	129.3	59	0	0	0	0	118.4
4	E	34	Very low	33.2	Very low	178 Å²	178	130.6 Å²	130.6	83%	0.832	76%	0.755	S	S	*	*			cis	-124.5	174.5	13.3	-67	176.4	112.4	0	0	110.6
5	A	38.3	Very low	33.1	Very low	80 Å²	80	134.3 Å²	134.3	66%	0.661	77%	0.766	S	S	*	*			cis	66.4	151.9	32.1	0	0	0	0	0	114.2
6	I	32.9	Very low	32.8	Very low	148 Å²	148	138.3 Å²	138.3	76%	0.759	78%	0.776	S	S	*	*			cis	-168.8	161.6	-30.3	-137	164.1	0	0	0	107.9
7	L	34	Very low	32.7	Very low	162 Å²	162	134.2 Å²	134.2	85%	0.848	77%	0.771	S	S	*	*			trans	65.1	165.2	172.7	-72.3	161	0	0	0	116.6
8	A	32.2	Very low	32.7	Very low	98 Å²	98	135.9 Å²	135.9	81%	0.81	78%	0.778	S	S	*	*			cis	-138	174.9	3.1	0	0	0	0	0	110.1
9	G	29.9	Very low	32.9	Very low	59 Å²	59	132.2 Å²	132.2	61%	0.608	77%	0.765	S	S	*	*			cis	145.7	148.7	-6.1	0	0	0	0	0	113
10	E	34	Very low	33	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.822	77%	0.768	S	S	*	*			trans	66.9	163.2	163.8	-54.3	-166.8	116.4	0	0	117.8
11	M	32.5	Very low	33	Very low	130 Å²	130	140 Å²	140	64%	0.64	77%	0.769	S	S	*	*			cis	-168.5	173.5	-25.7	-100.4	-177	-168.3	0	0	107.4
12	K	35.8	Very low	32.9	Very low	172 Å²	172	137.9 Å²	137.9	75%	0.748	77%	0.765	S	S	*	*			cis	-147.3	-146.2	0.5	-115.2	154	178.8	146.1	0	105.9
13	T	33.8	Very low	33	Very low	130 Å²	130	139.4 Å²	139.4	80%	0.798	77%	0.77	S	S	*	*			cis	-162	-176.7	4.6	-21.5	0	0	0	0	109.2
14	A	28.9	Very low	32.8	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	77%	0.774	S	S	*	*			trans	56.6	106.4	157.1	0	0	0	0	0	119.1
15	M	32.1	Very low	32.7	Very low	187 Å²	187	139.8 Å²	139.8	92%	0.921	77%	0.77	S	S	*	*			cis	81.9	143.5	11.8	-166.7	174.8	166.3	0	0	117.7
16	E	28.3	Very low	33.3	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	77%	0.768	S	S	*	*			trans	98.5	136.5	177.1	-161.7	165.4	-142.8	0	0	115.8
17	G	31.6	Very low	33.5	Very low	68 Å²	68	142 Å²	142	70%	0.701	77%	0.772	S	S	*	*			cis	168.3	147.2	-13.9	0	0	0	0	0	115.6
18	D	31.7	Very low	33.7	Very low	165 Å²	165	140.4 Å²	140.4	88%	0.882	76%	0.764	S	S	*	*			trans	63.3	162.7	163.9	-125	16.9	0	0	0	118.7
19	A	36.6	Very low	33.9	Very low	66 Å²	66	144 Å²	144	55%	0.545	76%	0.764	S	S	.	*			cis	-159.9	150.7	-4.9	0	0	0	0	0	115.1
20	R	35	Very low	34	Very low	217 Å²	217	143.9 Å²	143.9	82%	0.819	76%	0.763	S	S	*	*			trans	68.6	132.6	137.5	-72.4	174	174.8	-175.1	-0.2	126.1
21	R	32.3	Very low	34.4	Very low	211 Å²	211	144.6 Å²	144.6	80%	0.796	77%	0.766	S	S	*	*				108.4	103.1	123.3	-94.1	-175.6	178.7	-167.2	-1.4	124.5
22	T	32.9	Very low	34.8	Very low	114 Å²	114	145.3 Å²	145.3	70%	0.699	77%	0.772	S	S	*	*				60.7	110.3	124.6	54	0	0	0	0	124.9
23	N	31.9	Very low	35.1	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	77%	0.77	S	S	*	*				35.4	136.8	128.8	-60.4	19.7	0	0	0	124
24	Q	29.6	Very low	35.2	Very low	193 Å²	193	144 Å²	144	90%	0.902	77%	0.769	S	S	*	*				-151.4	164.1	126.4	-114.9	164.8	111.7	0	0	111.8
25	V	32.9	Very low	35.6	Very low	124 Å²	124	143.9 Å²	143.9	75%	0.752	76%	0.762	S	S	*	*			trans	-147.4	-172.6	-174.6	-125.9	0	0	0	0	106.7
26	P	50.8	Low	36.1	Very low	96 Å²	96	140.1 Å²	140.1	62%	0.623	75%	0.754	S	S	*	*			cis	-105.9	-145.5	5.4	33	-11.7	0	0	0	110.6
27	E	37.6	Very low	36.5	Very low	178 Å²	178	137.3 Å²	137.3	83%	0.832	74%	0.741	S	S	*	*			cis	-168.1	148.9	0.2	-139.6	141	-111.8	0	0	105.6
28	D	37.8	Very low	36.9	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	74%	0.739	S	S	*	*			cis	-148.6	-134.6	-21.9	-176.1	25.3	0	0	0	105
29	Q	36.7	Very low	37	Very low	174 Å²	174	139.6 Å²	139.6	81%	0.813	74%	0.735	S	S	*	*			cis	-165.5	152.7	-9.8	-169.1	155.2	98.3	0	0	106.7
30	G	32.4	Very low	37.7	Very low	56 Å²	56	141.8 Å²	141.8	58%	0.577	74%	0.743	S	S	*	*			cis	168.1	133.5	-11.8	0	0	0	0	0	111.9
31	E	40.4	Very low	37.7	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	75%	0.747	S	S	*	*			trans	66.2	159.1	165	-51	-158.3	143.6	0	0	118.3
32	L	42.6	Very low	38.6	Very low	145 Å²	145	137.9 Å²	137.9	76%	0.759	75%	0.754	S	S	*	*			cis	-150.7	152.4	20.9	-172	66.5	0	0	0	113.7
33	D	41.1	Very low	39.1	Very low	133 Å²	133	136.9 Å²	136.9	71%	0.711	76%	0.758	S	S	*	*			trans	-2.2	170.7	161.8	-110.7	-11.7	0	0	0	122.8
34	D	36	Very low	39.5	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	76%	0.757	S	S	*	*			cis	-148	-173.4	25.6	-170.2	12.7	0	0	0	113.1
35	S	38.1	Very low	40.6	Very low	89 Å²	89	138.2 Å²	138.2	62%	0.622	76%	0.76	S	S	*	*			trans	-124.8	-173.9	-151.2	-65.2	0	0	0	0	116.2
36	S	41.1	Very low	41.3	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	76%	0.756	S	S	*	*			trans	81.3	143.1	154.2	-139.3	0	0	0	0	118.7
37	E	37	Very low	41.3	Very low	140 Å²	140	138 Å²	138	65%	0.654	76%	0.764	S	S	*	*			cis	-155.7	146.6	-18.5	-120.9	-171	164	0	0	114.2
38	K	39.9	Very low	42.1	Very low	151 Å²	151	138.2 Å²	138.2	66%	0.657	77%	0.765	S	S	*	*			trans	38.1	110.3	143.6	-69.4	167.9	-172.5	159.7	0	124.2
39	T	34.6	Very low	42.8	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	77%	0.773	S	S	*	*				69.2	172	125.2	68.7	0	0	0	0	121.3
40	P	52.3	Low	43.5	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	77%	0.768	S	S	*	*			cis	-129.9	162.5	-46.6	33.5	-18.4	0	0	0	113.5
41	S	34	Very low	44.7	Very low	128 Å²	128	142.7 Å²	142.7	90%	0.895	78%	0.781	S	S	*	*			trans	-155.8	139.9	160	-87.3	0	0	0	0	113.3
42	K	50.8	Low	46	Very low	218 Å²	218	142.3 Å²	142.3	95%	0.948	78%	0.776	S	S	*	*			trans	-97.2	124.4	-179.3	-64.6	173.2	-178.5	171.3	0	110.7
43	A	42.7	Very low	47.1	Very low	93 Å²	93	146.9 Å²	146.9	77%	0.769	78%	0.784	S	S	*	*			trans	-145	131.8	163	0	0	0	0	0	111.1
44	S	41.8	Very low	48.9	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	78%	0.779	S	S	*	*			trans	21.9	114.9	169	58.7	0	0	0	0	119.5	S46	S44-S46 PolarHBondContact O-N 3.42Å; S44-S46 VanDerWaalsContact O-N 3.1Å
45	R	51.4	Low	51.4	Low	255 Å²	255	147.3 Å²	147.3	96%	0.962	78%	0.777	S	S	*	*			trans	-57.9	112.2	151.5	-75.1	177.7	171.8	170.7	-4.3	108.9
46	S	47.3	Very low	54.1	Low	95 Å²	95	147.3 Å²	147.3	66%	0.664	77%	0.774	S	S	*	*			trans	-76.3	139.1	158.8	55.6	0	0	0	0	108.7	S44 Q48	S44-S46 PolarHBondContact O-N 3.42Å; S44-S46 VanDerWaalsContact O-N 3.1Å; S46-Q48 PolarHBondContact O-N 3.5Å; S46-Q48 VanDerWaalsContact O-N 3.13Å
47	P	52.7	Low	56.7	Low	122 Å²	122	143.7 Å²	143.7	79%	0.792	75%	0.747	S	S	*	*			trans	-69.9	111.8	173.3	27.7	-31.8	0	0	0	108.3	K49	P47-K49 PolarHBondContact O-N 3.4Å
48	Q	53.6	Low	59.5	Low	182 Å²	182	141.9 Å²	141.9	85%	0.85	75%	0.748	S	S	*	*			trans	-55	111.9	170.9	-74.7	177.5	-37.5	0	0	108.4	S46 T50	S46-Q48 PolarHBondContact O-N 3.5Å; S46-Q48 VanDerWaalsContact O-N 3.13Å; Q48-T50 PolarHBondContact O-N 3.43Å
49	K	52.3	Low	62.3	Low	199 Å²	199	134.8 Å²	134.8	87%	0.865	72%	0.717	S	S	*	*			trans	-65.2	99.6	172.1	-79.8	-177	177	176.2	0	107.6	P47 T51	P47-K49 PolarHBondContact O-N 3.4Å; K49-T51 PolarHBondContact O-N 3.41Å
50	T	51.5	Low	65.3	Low	116 Å²	116	131.4 Å²	131.4	71%	0.712	69%	0.691	S	S	*	*			trans	-55.8	116.2	166.6	45.1	0	0	0	0	107.9	Q48 K52	Q48-T50 PolarHBondContact O-N 3.43Å; T50-K52 PolarHBondContact O-N 3.37Å
51	T	57	Low	67.5	Low	137 Å²	137	126 Å²	126	84%	0.84	66%	0.656	S	S	*	*			trans	-70.6	82.2	179.8	30.5	0	0	0	0	108.8	K49 R53	K49-T51 PolarHBondContact O-N 3.41Å; T51-R53 PolarHBondContact O-N 3.16Å
52	K	67.7	Low	70.5	Confident	183 Å²	183	122.2 Å²	122.2	80%	0.796	63%	0.628	S	S	*	*			trans	-51.8	108.4	175.8	-64.8	-178.3	-179.4	-178.9	0	108.3	T50 L54	T50-K52 PolarHBondContact O-N 3.37Å; K52-L54 PolarHBondContact O-N 2.9Å; K52-L54 VanDerWaalsContact O-N 3.11Å
53	R	65.9	Low	72.6	Confident	241 Å²	241	112.3 Å²	112.3	91%	0.909	59%	0.585	S	S	*	*			trans	-49.4	121.9	173.5	-79.7	-174	172	-173.5	-2.6	108.1	T51 K55	T51-R53 PolarHBondContact O-N 3.16Å; R53-K55 PolarHBondContact O-N 3.32Å
54	L	78.8	Confident	75.1	Confident	118 Å²	118	109 Å²	109	62%	0.618	55%	0.554	S	S	*	*			trans	-63.4	133.5	-179.1	-66.4	170.5	0	0	0	108.2	K52 T56 E74	K52-L54 PolarHBondContact O-N 2.9Å; K52-L54 VanDerWaalsContact O-N 3.11Å; L54-T56 PolarHBondContact O-N 3.13Å; L54-T56 VanDerWaalsContact O-N 3.09Å; L54-E74 VanDerWaalsContact CD1-OE1 3.24Å; L54-E74 WeakPolarHBondContact CD1-OE1 3.44Å
55	K	89.8	Confident	77.5	Confident	167 Å²	167	105.3 Å²	105.3	73%	0.726	53%	0.526	S	S	*	.			trans	-71.3	109.2	-179.1	-67.5	-165.2	175.9	-166.3	0	108.4	R53 K75	R53-K55 PolarHBondContact O-N 3.32Å; K55-K75 WeakPolarHBondContact O-CB 3.49Å; K55-K75 PolarHBondContact O-N 3.03Å
56	T	94.8	Very high	79.3	Confident	90 Å²	90	94 Å²	94	55%	0.552	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	167.1	170.7	49.1	0	0	0	0	111.2	L54 V73	L54-T56 PolarHBondContact O-N 3.13Å; L54-T56 VanDerWaalsContact O-N 3.09Å; T56-V73 CarbonylContact C-O 3.59Å; T56-V73 WeakPolarHBondContact CA-O 3.43Å; T56-V73 WeakPolarHBondContact CB-O 3.5Å
57	V	95.2	Very high	81.5	Confident	31 Å²	31	90.9 Å²	90.9	19%	0.188	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.4	172.2	-178	0	0	0	0	106.3	A72 V73 K75 W127	V57-A72 WeakPolarHBondContact O-CA 3.47Å; V57-V73 PolarHBondContact N-O 3.32Å; V57-V73 PolarHBondContact O-N 2.82Å; V57-K75 HydrophobicContact CG2-CB 3.99Å; V57-K75 HydrophobicContact CG2-CG 4.26Å; V57-W127 HydrophobicContact CB-CD2 4.4Å; V57-W127 HydrophobicContact CB-CE3 4.1Å; V57-W127 HydrophobicContact CB-CH2 4.38Å; V57-W127 HydrophobicContact CB-CZ3 4.1Å; V57-W127 HydrophobicContact CG1-CD2 3.71Å; V57-W127 HydrophobicContact CG1-CE3 3.9Å; V57-W127 HydrophobicContact CG1-CG 4.07Å; V57-W127 HydrophobicContact CG1-CZ2 4.36Å; V57-W127 HydrophobicContact CG1-CZ3 4.3Å; V57-W127 HydrophobicContact CG2-CH2 4.21Å; V57-W127 HydrophobicContact CG2-CZ2 4.44Å; V57-W127 HydrophobicContact CG2-CZ3 4.39Å
58	P	96.2	Very high	83.5	Confident	102 Å²	102	90.3 Å²	90.3	66%	0.662	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.3	174.6	29.4	-34.8	0	0	0	110.4	T71	P58-T71 WeakPolarHBondContact CA-O 3.09Å
59	V	97.1	Very high	85.6	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.012	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.1	-175.3	173.2	0	0	0	0	109.1	V61 T71 V73 L82 W127 F129	V59-V61 HydrophobicContact CG1-CG2 3.96Å; V59-T71 HydrophobicContact CB-CG2 3.94Å; V59-T71 HydrophobicContact CG1-CG2 4.19Å; V59-T71 PolarHBondContact N-O 2.68Å; V59-T71 PolarHBondContact O-N 3.43Å; V59-V73 HydrophobicContact CG2-CG1 4.23Å; V59-V73 HydrophobicContact CG2-CG2 3.71Å; V59-L82 HydrophobicContact CB-CD1 4.46Å; V59-L82 HydrophobicContact CG1-CD1 3.7Å; V59-L82 HydrophobicContact CG1-CD2 3.7Å; V59-L82 HydrophobicContact CG1-CG 4.36Å; V59-W127 WeakPolarHBondContact CA-O 3.2Å; V59-W127 HydrophobicContact CG2-CB 3.94Å; V59-W127 HydrophobicContact CG2-CE3 3.86Å; V59-F129 HydrophobicContact CG1-CD2 3.73Å; V59-F129 HydrophobicContact CG1-CE2 3.72Å
60	K	97.7	Very high	87.7	Confident	57 Å²	57	79 Å²	79	25%	0.248	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.2	174.1	175.3	154.7	-74.2	-151.6	0	109.5	E68 D70 W127 T128 F129	K60-E68 WeakPolarHBondContact CD-OE1 3.5Å; K60-E68 WeakPolarHBondContact CE-OE2 3.38Å; K60-E68 IonicContact NZ-OE1 3.75Å; K60-E68 IonicContact NZ-OE2 3.55Å; K60-E68 PolarHBondContact NZ-OE2 3.29Å; K60-D70 WeakPolarHBondContact CB-OD1 3.38Å; K60-D70 WeakPolarHBondContact CE-OD1 3.23Å; K60-D70 WeakPolarHBondContact CE-OD2 3.24Å; K60-D70 IonicContact NZ-OD1 3.69Å; K60-D70 IonicContact NZ-OD2 3.58Å; K60-D70 PolarHBondContact NZ-OD2 3.26Å; K60-D70 VanDerWaalsContact NZ-OD2 3.1Å; K60-W127 PolarHBondContact N-O 3.16Å; K60-T128 HydrophobicContact CB-CG2 4.43Å; K60-T128 HydrophobicContact CG-CG2 4.33Å; K60-T128 CarbonylContact O-C 3.41Å; K60-T128 WeakPolarHBondContact O-CA 3.5Å; K60-F129 PolarHBondContact O-N 3.15Å
61	V	98.2	Very high	89.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113	175.4	-171.1	0	0	0	0	109.8	V59 L63 Y69 L82 V86 L100 F129 F131	V59-V61 HydrophobicContact CG1-CG2 3.96Å; V61-L63 HydrophobicContact CG1-CD2 4.25Å; V61-Y69 HydrophobicContact CB-CD1 4.45Å; V61-Y69 HydrophobicContact CG2-CD1 4.44Å; V61-Y69 PolarHBondContact N-O 2.71Å; V61-Y69 PolarHBondContact O-N 3.47Å; V61-L82 HydrophobicContact CG2-CD1 4.22Å; V61-V86 HydrophobicContact CB-CG2 4.25Å; V61-V86 HydrophobicContact CG1-CG2 4.06Å; V61-V86 HydrophobicContact CG2-CG2 3.88Å; V61-L100 HydrophobicContact CG1-CD2 3.76Å; V61-F129 CarbonylContact C-O 3.6Å; V61-F129 WeakPolarHBondContact CA-O 3.38Å; V61-F129 HydrophobicContact CG1-CB 4.34Å; V61-F129 HydrophobicContact CG2-CB 4.32Å; V61-F129 HydrophobicContact CG2-CD2 4.37Å; V61-F131 HydrophobicContact CG1-CB 4.12Å
62	T	97.3	Very high	91.8	Very high	49 Å²	49	70.7 Å²	70.7	30%	0.301	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.7	168.6	-47.6	0	0	0	0	109.1	S67 F129 F131	T62-S67 WeakPolarHBondContact CA-O 3.31Å; T62-F129 PolarHBondContact N-O 2.92Å; T62-F131 PolarHBondContact O-N 3.1Å
63	L	96.5	Very high	93.1	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.052	32%	0.322	C	S	.	.			trans	-97.9	169.4	-177.6	-61.4	-179.1	0	0	0	111.5	V61 D65 G66 S67 V86 L90 F131	V61-L63 HydrophobicContact CG1-CD2 4.25Å; L63-D65 WeakPolarHBondContact CB-OD1 3.46Å; L63-G66 WeakPolarHBondContact O-CA 3.2Å; L63-G66 PolarHBondContact O-N 2.64Å; L63-S67 WeakPolarHBondContact CD1-OG 3.43Å; L63-S67 PolarHBondContact N-O 3.46Å; L63-V86 HydrophobicContact CD2-CG1 4.06Å; L63-L90 HydrophobicContact CD1-CD2 3.77Å; L63-L90 HydrophobicContact CD2-CD1 4.23Å; L63-L90 HydrophobicContact CD2-CD2 4.06Å; L63-L90 HydrophobicContact CD2-CG 4.47Å; L63-L90 HydrophobicContact CG-CD2 4.44Å; L63-F131 HydrophobicContact CD2-CB 4.16Å
64	L	94.9	Very high	94.5	Very high	23 Å²	23	55.2 Å²	55.2	12%	0.12	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.8	-172.1	-76.7	168.7	0	0	0	114.1	G66 F98 F131 Y151 L154 Q155	L64-G66 PolarHBondContact O-N 2.8Å; L64-F98 HydrophobicContact CD1-CD1 4.38Å; L64-F98 HydrophobicContact CD1-CE1 4.09Å; L64-F131 HydrophobicContact CD1-CD1 3.76Å; L64-F131 HydrophobicContact CD1-CE1 3.85Å; L64-F131 HydrophobicContact CG-CD1 3.98Å; L64-Y151 HydrophobicContact CB-CD1 4.29Å; L64-Y151 HydrophobicContact CD1-CD1 4.31Å; L64-Y151 HydrophobicContact CD1-CG 4.46Å; L64-L154 HydrophobicContact CB-CB 4.05Å; L64-L154 HydrophobicContact CB-CD1 4.34Å; L64-Q155 HydrophobicContact CD2-CB 3.92Å; L64-Q155 HydrophobicContact CD2-CG 4.46Å
65	D	90.9	Very high	95.1	Very high	33 Å²	33	53.6 Å²	53.6	18%	0.176	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.9	167.9	66.2	-26.5	0	0	0	112.6	L63 S67 L154 S382	L63-D65 WeakPolarHBondContact CB-OD1 3.46Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 2.97Å; D65-S67 VanDerWaalsContact OD2-CB 3.26Å; D65-S67 WeakPolarHBondContact OD2-CB 3.41Å; D65-S67 PolarHBondContact OD2-OG 2.79Å; D65-L154 HydrophobicContact CB-CD1 4.21Å; D65-S382 WeakPolarHBondContact O-CB 3.39Å; D65-S382 PolarHBondContact O-N 2.66Å
66	G	90.1	Very high	95.3	Very high	16 Å²	16	52.2 Å²	52.2	17%	0.165	28%	0.283	C	S	.	.	S	Bend	trans	92.7	-1.1	-176.3	0	0	0	0	0	115.6	L63 L64	L63-G66 WeakPolarHBondContact O-CA 3.2Å; L63-G66 PolarHBondContact O-N 2.64Å; L64-G66 PolarHBondContact O-N 2.8Å
67	S	92.8	Very high	95.4	Very high	30 Å²	30	48.4 Å²	48.4	21%	0.21	26%	0.26	C	S	.	.			trans	-76.4	168.2	178.3	67.2	0	0	0	0	112.4	T62 L63 D65	T62-S67 WeakPolarHBondContact CA-O 3.31Å; L63-S67 WeakPolarHBondContact CD1-OG 3.43Å; L63-S67 PolarHBondContact N-O 3.46Å; D65-S67 PolarHBondContact OD1-N 2.78Å; D65-S67 PolarHBondContact OD1-OG 2.97Å; D65-S67 VanDerWaalsContact OD2-CB 3.26Å; D65-S67 WeakPolarHBondContact OD2-CB 3.41Å; D65-S67 PolarHBondContact OD2-OG 2.79Å
68	E	95.5	Very high	95.4	Very high	110 Å²	110	52.1 Å²	52.1	51%	0.514	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.1	-179.9	-61.3	-165.4	132.2	0	0	111.7	K60 D70	K60-E68 WeakPolarHBondContact CD-OE1 3.5Å; K60-E68 WeakPolarHBondContact CE-OE2 3.38Å; K60-E68 IonicContact NZ-OE1 3.75Å; K60-E68 IonicContact NZ-OE2 3.55Å; K60-E68 PolarHBondContact NZ-OE2 3.29Å; E68-D70 PolarHBondContact O-N 3.1Å
69	Y	96.9	Very high	95.4	Very high	43 Å²	43	47.3 Å²	47.3	17%	0.169	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	97.5	170.9	178.1	-114.2	0	0	0	110.4	V61 T71 V86 H89	V61-Y69 HydrophobicContact CB-CD1 4.45Å; V61-Y69 HydrophobicContact CG2-CD1 4.44Å; V61-Y69 PolarHBondContact N-O 2.71Å; V61-Y69 PolarHBondContact O-N 3.47Å; Y69-T71 HydrophobicContact CD1-CG2 4.18Å; Y69-T71 HydrophobicContact CE1-CG2 3.68Å; Y69-T71 PolarHBondContact OH-OG1 3.03Å; Y69-V86 HydrophobicContact CD1-CG2 3.98Å; Y69-V86 HydrophobicContact CE1-CG2 4.19Å; Y69-H89 HydrophobicContact CD2-CB 4.3Å; Y69-H89 AromaticContact CD2-CD2 3.12Å; Y69-H89 WeakPolarHBondContact CD2-CD2 3.24Å; Y69-H89 AromaticContact CD2-CG 3.65Å; Y69-H89 AromaticContact CD2-NE2 3.41Å; Y69-H89 WeakPolarHBondContact CD2-NE2 3.2Å; Y69-H89 HydrophobicContact CE2-CB 3.89Å; Y69-H89 AromaticContact CE2-CD2 3.58Å; Y69-H89 AromaticContact CE2-CG 3.58Å; Y69-H89 AromaticContact CG-CD2 3.62Å
70	D	97.5	Very high	95.4	Very high	101 Å²	101	50.7 Å²	50.7	54%	0.54	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.7	171.2	-88.2	-39.7	0	0	0	111.3	K60 E68	K60-D70 WeakPolarHBondContact CB-OD1 3.38Å; K60-D70 WeakPolarHBondContact CE-OD1 3.23Å; K60-D70 WeakPolarHBondContact CE-OD2 3.24Å; K60-D70 IonicContact NZ-OD1 3.69Å; K60-D70 IonicContact NZ-OD2 3.58Å; K60-D70 PolarHBondContact NZ-OD2 3.26Å; K60-D70 VanDerWaalsContact NZ-OD2 3.1Å; E68-D70 PolarHBondContact O-N 3.1Å
71	T	96.8	Very high	95.4	Very high	30 Å²	30	51.2 Å²	51.2	18%	0.184	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-176.9	-175.3	-162.5	0	0	0	0	111.6	P58 V59 Y69 L82 M85	P58-T71 WeakPolarHBondContact CA-O 3.09Å; V59-T71 HydrophobicContact CB-CG2 3.94Å; V59-T71 HydrophobicContact CG1-CG2 4.19Å; V59-T71 PolarHBondContact N-O 2.68Å; V59-T71 PolarHBondContact O-N 3.43Å; Y69-T71 HydrophobicContact CD1-CG2 4.18Å; Y69-T71 HydrophobicContact CE1-CG2 3.68Å; Y69-T71 PolarHBondContact OH-OG1 3.03Å; T71-L82 HydrophobicContact CG2-CD1 3.97Å; T71-M85 HydrophobicContact CG2-CE 4.23Å; T71-M85 WeakPolarHBondContact OG1-CE 3.45Å
72	A	96.3	Very high	95.4	Very high	48 Å²	48	51.2 Å²	51.2	40%	0.397	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.9	174.3	0	0	0	0	0	111.9	V57	V57-A72 WeakPolarHBondContact O-CA 3.47Å
73	V	96.4	Very high	95.5	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	161.5	-179.7	-54.1	0	0	0	0	111.1	T56 V57 V59 A77 L82 M85 I118 W127	T56-V73 CarbonylContact C-O 3.59Å; T56-V73 WeakPolarHBondContact CA-O 3.43Å; T56-V73 WeakPolarHBondContact CB-O 3.5Å; V57-V73 PolarHBondContact N-O 3.32Å; V57-V73 PolarHBondContact O-N 2.82Å; V59-V73 HydrophobicContact CG2-CG1 4.23Å; V59-V73 HydrophobicContact CG2-CG2 3.71Å; V73-A77 HydrophobicContact CB-CB 4Å; V73-A77 HydrophobicContact CG2-CB 4.05Å; V73-L82 HydrophobicContact CG1-CB 4.4Å; V73-L82 HydrophobicContact CG1-CD1 3.89Å; V73-M85 HydrophobicContact CG1-CE 4.2Å; V73-M85 HydrophobicContact CG1-SD 3.91Å; V73-I118 HydrophobicContact CG2-CD1 4.22Å; V73-W127 HydrophobicContact CG2-CE3 3.93Å; V73-W127 HydrophobicContact CG2-CZ3 3.65Å
74	E	95.5	Very high	95.5	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	145.4	174.2	-64.7	-171.8	-169.1	0	0	112.4	L54 F76 A77	L54-E74 VanDerWaalsContact CD1-OE1 3.24Å; L54-E74 WeakPolarHBondContact CD1-OE1 3.44Å; E74-F76 PolarHBondContact O-N 2.94Å; E74-A77 HydrophobicContact CB-CB 4.29Å; E74-A77 WeakPolarHBondContact O-CB 3.29Å; E74-A77 PolarHBondContact O-N 2.89Å
75	K	91.1	Very high	95.7	Very high	83 Å²	83	54.1 Å²	54.1	36%	0.361	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17	178.7	-178.8	166.9	-176.5	166.6	0	115.3	K55 V57 K119	K55-K75 WeakPolarHBondContact O-CB 3.49Å; K55-K75 PolarHBondContact O-N 3.03Å; V57-K75 HydrophobicContact CG2-CB 3.99Å; V57-K75 HydrophobicContact CG2-CG 4.26Å; K75-K119 HydrophobicContact CG-CD 4.27Å
76	F	93.4	Very high	96	Very high	139 Å²	139	52.6 Å²	52.6	61%	0.61	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	17.1	176.6	-54.1	-73.7	0	0	0	112.9	E74	E74-F76 PolarHBondContact O-N 2.94Å
77	A	96.4	Very high	96.4	Very high	9 Å²	9	51.8 Å²	51.8	7%	0.074	26%	0.263	C	S	.	.			trans	-60.8	147.4	175.6	0	0	0	0	0	111.8	V73 E74 T81 E117 I118	V73-A77 HydrophobicContact CB-CB 4Å; V73-A77 HydrophobicContact CG2-CB 4.05Å; E74-A77 HydrophobicContact CB-CB 4.29Å; E74-A77 WeakPolarHBondContact O-CB 3.29Å; E74-A77 PolarHBondContact O-N 2.89Å; A77-T81 HydrophobicContact CB-CG2 4.49Å; A77-E117 VanDerWaalsContact O-CA 3.31Å; A77-E117 WeakPolarHBondContact O-CA 3.33Å; A77-I118 PolarHBondContact O-N 3.5Å
78	K	96.8	Very high	96.6	Very high	110 Å²	110	52.4 Å²	52.4	48%	0.478	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-84.6	158.3	172.2	-68	-178.1	180	177.6	0	110.6	Q80 T81 K116	K78-Q80 PolarHBondContact O-N 3Å; K78-T81 WeakPolarHBondContact O-CB 3.17Å; K78-T81 PolarHBondContact O-N 3.44Å; K78-K116 CarbonylContact C-O 3.54Å; K78-K116 VanDerWaalsContact CA-O 3.29Å; K78-K116 WeakPolarHBondContact CA-O 3.32Å
79	G	96.4	Very high	96.6	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-33.4	173.8	0	0	0	0	0	113	T81 L82 L83 K116	G79-T81 VanDerWaalsContact C-N 3.33Å; G79-T81 PolarHBondContact O-N 3.34Å; G79-L82 PolarHBondContact O-N 2.83Å; G79-L83 PolarHBondContact O-N 2.81Å; G79-K116 PolarHBondContact N-O 3.46Å
80	Q	97.1	Very high	96.5	Very high	72 Å²	72	50.8 Å²	50.8	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-43.8	173.6	-172.6	60	47.9	0	0	112.5	K78 L82 L83 D84 P114	K78-Q80 PolarHBondContact O-N 3Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 3.2Å; Q80-L83 PolarHBondContact O-N 2.83Å; Q80-D84 WeakPolarHBondContact CG-OD2 3.14Å; Q80-D84 VanDerWaalsContact NE2-CG 3.26Å; Q80-D84 PolarHBondContact NE2-OD1 2.85Å; Q80-D84 PolarHBondContact NE2-OD2 3.17Å; Q80-D84 WeakPolarHBondContact O-CB 3.39Å; Q80-D84 PolarHBondContact O-N 2.74Å; Q80-P114 HydrophobicContact CB-CB 4.01Å; Q80-P114 WeakPolarHBondContact CB-O 3.44Å; Q80-P114 PolarHBondContact N-O 2.71Å
81	T	97.6	Very high	96.4	Very high	68 Å²	68	49.6 Å²	49.6	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-60.5	-41.3	-178.6	-50.7	0	0	0	0	111.8	A77 K78 G79 M85	A77-T81 HydrophobicContact CB-CG2 4.49Å; K78-T81 WeakPolarHBondContact O-CB 3.17Å; K78-T81 PolarHBondContact O-N 3.44Å; G79-T81 VanDerWaalsContact C-N 3.33Å; G79-T81 PolarHBondContact O-N 3.34Å; T81-M85 HydrophobicContact CG2-SD 4.44Å; T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.31Å; T81-M85 PolarHBondContact O-N 2.94Å
82	L	97.9	Very high	96.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-41.3	177.2	179.6	61.4	0	0	0	111.8	V59 V61 T71 V73 G79 Q80 D84 M85 V86 L100 I118 F129	V59-L82 HydrophobicContact CB-CD1 4.46Å; V59-L82 HydrophobicContact CG1-CD1 3.7Å; V59-L82 HydrophobicContact CG1-CD2 3.7Å; V59-L82 HydrophobicContact CG1-CG 4.36Å; V61-L82 HydrophobicContact CG2-CD1 4.22Å; T71-L82 HydrophobicContact CG2-CD1 3.97Å; V73-L82 HydrophobicContact CG1-CB 4.4Å; V73-L82 HydrophobicContact CG1-CD1 3.89Å; G79-L82 PolarHBondContact O-N 2.83Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 3.2Å; L82-D84 VanDerWaalsContact C-N 3.3Å; L82-D84 PolarHBondContact O-N 2.91Å; L82-M85 PolarHBondContact O-N 2.8Å; L82-V86 HydrophobicContact CD1-CG2 4.36Å; L82-V86 WeakPolarHBondContact O-CG2 3.43Å; L82-V86 PolarHBondContact O-N 3.03Å; L82-L100 HydrophobicContact CB-CD1 4.05Å; L82-L100 HydrophobicContact CD2-CD1 3.74Å; L82-L100 HydrophobicContact CG-CD1 3.6Å; L82-I118 HydrophobicContact CB-CD1 3.98Å; L82-I118 HydrophobicContact CD2-CD1 4.1Å; L82-F129 HydrophobicContact CD2-CD2 3.55Å; L82-F129 HydrophobicContact CD2-CE2 3.38Å; L82-F129 HydrophobicContact CD2-CG 4.2Å; L82-F129 HydrophobicContact CD2-CZ 3.94Å
83	L	97.9	Very high	96.3	Very high	21 Å²	21	49.2 Å²	49.2	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-41	175.1	-179.8	62.5	0	0	0	111.5	G79 Q80 M85 V86 C87 L100 F131	G79-L83 PolarHBondContact O-N 2.81Å; Q80-L83 PolarHBondContact O-N 2.83Å; L83-M85 VanDerWaalsContact C-N 3.33Å; L83-M85 PolarHBondContact O-N 3.28Å; L83-V86 PolarHBondContact O-N 3.23Å; L83-C87 WeakPolarHBondContact O-CB 3.5Å; L83-C87 PolarHBondContact O-N 3.3Å; L83-C87 PolarHBondContact O-SG 3.35Å; L83-L100 HydrophobicContact CB-CD1 4.14Å; L83-L100 HydrophobicContact CD1-CG 4.23Å; L83-F131 HydrophobicContact CD1-CE2 4.17Å
84	D	97.8	Very high	96.3	Very high	64 Å²	64	49 Å²	49	34%	0.342	25%	0.25	S	C	.	.	H	α-helix	trans	-68.8	-30	178.7	-76.9	-42.3	0	0	0	113.7	Q80 L82 G88 R95	Q80-D84 WeakPolarHBondContact CG-OD2 3.14Å; Q80-D84 VanDerWaalsContact NE2-CG 3.26Å; Q80-D84 PolarHBondContact NE2-OD1 2.85Å; Q80-D84 PolarHBondContact NE2-OD2 3.17Å; Q80-D84 WeakPolarHBondContact O-CB 3.39Å; Q80-D84 PolarHBondContact O-N 2.74Å; L82-D84 VanDerWaalsContact C-N 3.3Å; L82-D84 PolarHBondContact O-N 2.91Å; D84-G88 PolarHBondContact O-N 2.87Å; D84-G88 VanDerWaalsContact O-N 3.11Å; D84-R95 VanDerWaalsContact CA-NH1 3.35Å; D84-R95 PolarHBondContact O-NH1 3.25Å; D84-R95 VanDerWaalsContact O-NH1 3.1Å; D84-R95 IonicContact OD1-NH1 3.51Å; D84-R95 PolarHBondContact OD1-NH1 2.9Å
85	M	98.3	Very high	96.3	Very high	59 Å²	59	47.5 Å²	47.5	29%	0.291	24%	0.24	S	C	.	.	H	α-helix	trans	-71.4	-47.1	171.8	-71.4	168.4	63.6	0	0	111.3	T71 V73 T81 L82 L83 G88 H89	T71-M85 HydrophobicContact CG2-CE 4.23Å; T71-M85 WeakPolarHBondContact OG1-CE 3.45Å; V73-M85 HydrophobicContact CG1-CE 4.2Å; V73-M85 HydrophobicContact CG1-SD 3.91Å; T81-M85 HydrophobicContact CG2-SD 4.44Å; T81-M85 VanDerWaalsContact O-CG 3.29Å; T81-M85 WeakPolarHBondContact O-CG 3.31Å; T81-M85 PolarHBondContact O-N 2.94Å; L82-M85 PolarHBondContact O-N 2.8Å; L83-M85 VanDerWaalsContact C-N 3.33Å; L83-M85 PolarHBondContact O-N 3.28Å; M85-G88 WeakPolarHBondContact O-CA 3.1Å; M85-G88 PolarHBondContact O-N 2.9Å; M85-G88 VanDerWaalsContact O-N 3.1Å; M85-H89 PolarHBondContact O-N 3.28Å
86	V	98.3	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-53.6	177.8	172.5	0	0	0	0	110.5	V61 L63 Y69 L82 L83 G88 H89 L90 L100 F131	V61-V86 HydrophobicContact CB-CG2 4.25Å; V61-V86 HydrophobicContact CG1-CG2 4.06Å; V61-V86 HydrophobicContact CG2-CG2 3.88Å; L63-V86 HydrophobicContact CD2-CG1 4.06Å; Y69-V86 HydrophobicContact CD1-CG2 3.98Å; Y69-V86 HydrophobicContact CE1-CG2 4.19Å; L82-V86 HydrophobicContact CD1-CG2 4.36Å; L82-V86 WeakPolarHBondContact O-CG2 3.43Å; L82-V86 PolarHBondContact O-N 3.03Å; L83-V86 PolarHBondContact O-N 3.23Å; V86-G88 PolarHBondContact O-N 3.36Å; V86-G88 VanDerWaalsContact O-N 3.12Å; V86-H89 PolarHBondContact O-N 2.89Å; V86-H89 VanDerWaalsContact O-N 3.11Å; V86-L90 HydrophobicContact CG1-CD1 3.87Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CG 3.22Å; V86-L90 PolarHBondContact O-N 2.97Å; V86-L100 HydrophobicContact CG2-CD2 4.31Å; V86-F131 HydrophobicContact CG1-CB 4.37Å; V86-F131 HydrophobicContact CG1-CD2 3.62Å; V86-F131 HydrophobicContact CG1-CE2 4.03Å; V86-F131 HydrophobicContact CG1-CG 4.02Å
87	C	97.5	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-13.3	176.4	-61.8	0	0	0	0	113.5	L83 L92 R95	L83-C87 WeakPolarHBondContact O-CB 3.5Å; L83-C87 PolarHBondContact O-N 3.3Å; L83-C87 PolarHBondContact O-SG 3.35Å; C87-L92 HydrophobicContact CB-CB 4.42Å; C87-L92 PolarHBondContact O-N 2.78Å; C87-R95 HydrophobicContact CB-CG 3.71Å; C87-R95 VanDerWaalsContact CB-NE 3.34Å; C87-R95 PolarHBondContact O-NH2 3.44Å
88	G	96.9	Very high	96.9	Very high	42 Å²	42	38.2 Å²	38.2	43%	0.433	20%	0.199	S	C	.	.	H	α-helix	trans	-77.9	-46.2	170	0	0	0	0	0	111.7	D84 M85 V86 N91 R95	D84-G88 PolarHBondContact O-N 2.87Å; D84-G88 VanDerWaalsContact O-N 3.11Å; M85-G88 WeakPolarHBondContact O-CA 3.1Å; M85-G88 PolarHBondContact O-N 2.9Å; M85-G88 VanDerWaalsContact O-N 3.1Å; V86-G88 PolarHBondContact O-N 3.36Å; V86-G88 VanDerWaalsContact O-N 3.12Å; G88-N91 PolarHBondContact O-N 3.34Å; G88-R95 VanDerWaalsContact N-NH2 3.15Å
89	H	95.8	Very high	96.9	Very high	109 Å²	109	33.3 Å²	33.3	51%	0.505	18%	0.179	S	C	.	.	H	α-helix	trans	-61.5	-43.1	173.5	174.7	49.9	0	0	0	112.1	Y69 M85 V86 N91	Y69-H89 HydrophobicContact CD2-CB 4.3Å; Y69-H89 AromaticContact CD2-CD2 3.12Å; Y69-H89 WeakPolarHBondContact CD2-CD2 3.24Å; Y69-H89 AromaticContact CD2-CG 3.65Å; Y69-H89 AromaticContact CD2-NE2 3.41Å; Y69-H89 WeakPolarHBondContact CD2-NE2 3.2Å; Y69-H89 HydrophobicContact CE2-CB 3.89Å; Y69-H89 AromaticContact CE2-CD2 3.58Å; Y69-H89 AromaticContact CE2-CG 3.58Å; Y69-H89 AromaticContact CG-CD2 3.62Å; M85-H89 PolarHBondContact O-N 3.28Å; V86-H89 PolarHBondContact O-N 2.89Å; V86-H89 VanDerWaalsContact O-N 3.11Å; H89-N91 PolarHBondContact O-N 3.35Å
90	L	94.9	Very high	97	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.058	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	5.2	177	-58.6	179.6	0	0	0	114.5	L63 V86 L92 F131 I147 Y151	L63-L90 HydrophobicContact CD1-CD2 3.77Å; L63-L90 HydrophobicContact CD2-CD1 4.23Å; L63-L90 HydrophobicContact CD2-CD2 4.06Å; L63-L90 HydrophobicContact CD2-CG 4.47Å; L63-L90 HydrophobicContact CG-CD2 4.44Å; V86-L90 HydrophobicContact CG1-CD1 3.87Å; V86-L90 HydrophobicContact CG1-CG 4.33Å; V86-L90 WeakPolarHBondContact O-CG 3.22Å; V86-L90 PolarHBondContact O-N 2.97Å; L90-L92 HydrophobicContact CB-CB 4.37Å; L90-L92 PolarHBondContact O-N 2.89Å; L90-L92 VanDerWaalsContact O-N 3.14Å; L90-F131 HydrophobicContact CD1-CD1 3.66Å; L90-F131 HydrophobicContact CD1-CE1 3.35Å; L90-F131 HydrophobicContact CD1-CE2 4.27Å; L90-F131 HydrophobicContact CD1-CG 4.25Å; L90-F131 HydrophobicContact CD1-CZ 3.68Å; L90-I147 VanDerWaalsContact O-CD1 3.31Å; L90-I147 WeakPolarHBondContact O-CD1 3.37Å; L90-Y151 HydrophobicContact CB-CE2 4.02Å; L90-Y151 HydrophobicContact CD1-CE2 4.48Å; L90-Y151 HydrophobicContact CD2-CE1 4.38Å; L90-Y151 WeakPolarHBondContact CD2-OH 3.2Å
91	N	94.6	Very high	97	Very high	75 Å²	75	30.4 Å²	30.4	40%	0.401	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	32.4	178.7	-163.9	16	0	0	0	114.9	G88 H89 I147 R372	G88-N91 PolarHBondContact O-N 3.34Å; H89-N91 PolarHBondContact O-N 3.35Å; N91-I147 HydrophobicContact CB-CD1 4.39Å; N91-R372 PolarHBondContact O-NH2 3.47Å; N91-R372 PolarHBondContact OD1-NH1 3.24Å
92	L	95.5	Very high	96.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.149	C	C	.	.			trans	-105.2	126.8	-166.3	178.8	66.4	0	0	0	112.4	C87 L90 R95 F98 F131 I147 T148 Y151	C87-L92 HydrophobicContact CB-CB 4.42Å; C87-L92 PolarHBondContact O-N 2.78Å; L90-L92 HydrophobicContact CB-CB 4.37Å; L90-L92 PolarHBondContact O-N 2.89Å; L90-L92 VanDerWaalsContact O-N 3.14Å; L92-R95 VanDerWaalsContact O-CG 3.29Å; L92-R95 WeakPolarHBondContact O-CG 3.33Å; L92-R95 PolarHBondContact O-NE 3.03Å; L92-F98 HydrophobicContact CD1-CE2 4.39Å; L92-F98 HydrophobicContact CD2-CD2 3.74Å; L92-F98 HydrophobicContact CD2-CE2 3.76Å; L92-F98 HydrophobicContact CD2-CG 4.24Å; L92-F98 HydrophobicContact CD2-CZ 4.26Å; L92-F131 HydrophobicContact CD2-CZ 4.01Å; L92-I147 HydrophobicContact CD1-CG2 4.2Å; L92-T148 HydrophobicContact CD1-CG2 4.39Å; L92-Y151 HydrophobicContact CD1-CD2 4.44Å; L92-Y151 HydrophobicContact CD2-CD2 4.46Å
93	L	95.6	Very high	96.5	Very high	70 Å²	70	34 Å²	34	37%	0.366	18%	0.181	S	C	.	.	S	Bend	trans	-102	-30.7	179.7	-55.3	-178.8	0	0	0	113.9	R95 E145 I370	L93-R95 PolarHBondContact O-N 3.19Å; L93-E145 WeakPolarHBondContact CB-OE2 3.49Å; L93-E145 PolarHBondContact N-OE2 3.14Å; L93-E145 VanDerWaalsContact N-OE2 3.15Å; L93-I370 HydrophobicContact CB-CD1 3.85Å; L93-I370 HydrophobicContact CB-CG1 4.4Å; L93-I370 HydrophobicContact CD1-CD1 4.19Å; L93-I370 HydrophobicContact CD1-CG1 4.04Å; L93-I370 HydrophobicContact CD1-CG2 3.81Å
94	E	96.1	Very high	95.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.			trans	-79	47.6	177.6	-59.5	-169.7	94.6	0	0	112.6	D96 Y97 I144 E145 T148 S367 I370	E94-D96 VanDerWaalsContact C-N 3.33Å; E94-D96 PolarHBondContact O-N 2.86Å; E94-Y97 HydrophobicContact CB-CD2 4.18Å; E94-Y97 HydrophobicContact CB-CE2 4.25Å; E94-Y97 WeakPolarHBondContact O-CD2 3.45Å; E94-I144 PolarHBondContact OE1-N 3.22Å; E94-I144 VanDerWaalsContact OE1-N 3.15Å; E94-I144 PolarHBondContact OE2-N 3.08Å; E94-I144 VanDerWaalsContact OE2-N 3.1Å; E94-E145 HydrophobicContact CG-CG 4.26Å; E94-E145 PolarHBondContact OE2-N 2.86Å; E94-T148 HydrophobicContact CB-CG2 3.78Å; E94-T148 HydrophobicContact CG-CG2 4.49Å; E94-T148 VanDerWaalsContact OE2-CB 3.27Å; E94-T148 WeakPolarHBondContact OE2-CB 3.42Å; E94-T148 PolarHBondContact OE2-OG1 3.15Å; E94-S367 WeakPolarHBondContact OE1-CB 3.48Å; E94-S367 PolarHBondContact OE1-OG 3.14Å; E94-I370 HydrophobicContact CG-CD1 4.11Å
95	R	96.2	Very high	95.1	Very high	63 Å²	63	34.6 Å²	34.6	24%	0.238	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.5	-28.9	-164.8	-61.5	-177.2	173.7	-157	-10.3	115.5	D84 C87 G88 L92 L93 Y97 F98	D84-R95 VanDerWaalsContact CA-NH1 3.35Å; D84-R95 PolarHBondContact O-NH1 3.25Å; D84-R95 VanDerWaalsContact O-NH1 3.1Å; D84-R95 IonicContact OD1-NH1 3.51Å; D84-R95 PolarHBondContact OD1-NH1 2.9Å; C87-R95 HydrophobicContact CB-CG 3.71Å; C87-R95 VanDerWaalsContact CB-NE 3.34Å; C87-R95 PolarHBondContact O-NH2 3.44Å; G88-R95 VanDerWaalsContact N-NH2 3.15Å; L92-R95 VanDerWaalsContact O-CG 3.29Å; L92-R95 WeakPolarHBondContact O-CG 3.33Å; L92-R95 PolarHBondContact O-NE 3.03Å; L93-R95 PolarHBondContact O-N 3.19Å; R95-Y97 PolarHBondContact O-N 3.06Å; R95-F98 PolarHBondContact O-N 2.91Å; R95-F98 VanDerWaalsContact O-N 3.1Å
96	D	97.1	Very high	94.3	Very high	25 Å²	25	34.5 Å²	34.5	13%	0.134	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-67.2	-21.5	-168.5	-55.5	-98	0	0	0	113.7	E94 F98 F135 F333 R358 T363	E94-D96 VanDerWaalsContact C-N 3.33Å; E94-D96 PolarHBondContact O-N 2.86Å; D96-F98 PolarHBondContact O-N 2.96Å; D96-F135 VanDerWaalsContact O-CD2 3.3Å; D96-F135 WeakPolarHBondContact O-CD2 3.15Å; D96-F333 HydrophobicContact CB-CE2 3.93Å; D96-R358 VanDerWaalsContact OD1-CB 3.24Å; D96-R358 WeakPolarHBondContact OD1-CB 3.47Å; D96-R358 WeakPolarHBondContact OD1-CG 3.43Å; D96-R358 PolarHBondContact OD1-N 3.46Å; D96-R358 IonicContact OD1-NE 3.12Å; D96-R358 PolarHBondContact OD1-NE 3.29Å; D96-R358 IonicContact OD2-CZ 2.96Å; D96-R358 IonicContact OD2-NE 3.6Å; D96-R358 PolarHBondContact OD2-NE 3.13Å; D96-R358 IonicContact OD2-NH2 2.71Å; D96-R358 PolarHBondContact OD2-NH2 2.85Å; D96-T363 HydrophobicContact CB-CG2 4.11Å
97	Y	98.1	Very high	93.5	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.012	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-69.2	-15.1	175.1	-61	-68.7	0	0	0	113.4	E94 R95 K134 F135 P137 L143 T148 F333 Q360 T363	E94-Y97 HydrophobicContact CB-CD2 4.18Å; E94-Y97 HydrophobicContact CB-CE2 4.25Å; E94-Y97 WeakPolarHBondContact O-CD2 3.45Å; R95-Y97 PolarHBondContact O-N 3.06Å; Y97-K134 PolarHBondContact O-N 3.1Å; Y97-F135 HydrophobicContact CD1-CB 4.48Å; Y97-F135 WeakPolarHBondContact CD1-O 3.44Å; Y97-F135 PolarHBondContact O-N 2.87Å; Y97-P137 HydrophobicContact CD1-CG 4.03Å; Y97-P137 HydrophobicContact CE1-CG 3.95Å; Y97-L143 HydrophobicContact CD2-CD2 3.79Å; Y97-L143 HydrophobicContact CE1-CD2 4.41Å; Y97-L143 HydrophobicContact CE2-CD2 3.26Å; Y97-T148 HydrophobicContact CD2-CG2 4.42Å; Y97-F333 AromaticContact CD1-CE1 3.84Å; Y97-F333 HydrophobicContact CD1-CE1 3.84Å; Y97-F333 AromaticContact CD1-CZ 3.63Å; Y97-F333 HydrophobicContact CD1-CZ 3.63Å; Y97-F333 AromaticContact CE1-CE1 3.8Å; Y97-F333 HydrophobicContact CE1-CE1 3.8Å; Y97-F333 AromaticContact CE1-CZ 3.62Å; Y97-F333 HydrophobicContact CE1-CZ 3.62Å; Y97-F333 HydrophobicContact CG-CZ 4.49Å; Y97-Q360 HydrophobicContact CE1-CG 4.27Å; Y97-T363 HydrophobicContact CD2-CG2 4.43Å; Y97-T363 HydrophobicContact CE2-CG2 3.83Å
98	F	98.4	Very high	92.9	Very high	9 Å²	9	41 Å²	41	4%	0.039	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	166.8	-170.5	-60.5	-95.2	0	0	0	112.9	L64 L92 R95 D96 F131 A132 V133 T148	L64-F98 HydrophobicContact CD1-CD1 4.38Å; L64-F98 HydrophobicContact CD1-CE1 4.09Å; L92-F98 HydrophobicContact CD1-CE2 4.39Å; L92-F98 HydrophobicContact CD2-CD2 3.74Å; L92-F98 HydrophobicContact CD2-CE2 3.76Å; L92-F98 HydrophobicContact CD2-CG 4.24Å; L92-F98 HydrophobicContact CD2-CZ 4.26Å; R95-F98 PolarHBondContact O-N 2.91Å; R95-F98 VanDerWaalsContact O-N 3.1Å; D96-F98 PolarHBondContact O-N 2.96Å; F98-F131 HydrophobicContact CB-CE1 4.46Å; F98-F131 HydrophobicContact CB-CE2 3.65Å; F98-F131 HydrophobicContact CB-CZ 3.54Å; F98-F131 AromaticContact CD1-CE1 3.56Å; F98-F131 HydrophobicContact CD1-CE1 3.56Å; F98-F131 HydrophobicContact CD1-CE2 4.29Å; F98-F131 AromaticContact CD1-CZ 3.43Å; F98-F131 HydrophobicContact CD1-CZ 3.43Å; F98-F131 VanDerWaalsContact CD1-CZ 3.43Å; F98-F131 HydrophobicContact CD2-CZ 4.44Å; F98-F131 HydrophobicContact CE1-CE1 4.08Å; F98-F131 HydrophobicContact CE1-CZ 4.25Å; F98-F131 HydrophobicContact CG-CE1 4.18Å; F98-F131 HydrophobicContact CG-CE2 4.19Å; F98-F131 AromaticContact CG-CZ 3.55Å; F98-F131 HydrophobicContact CG-CZ 3.55Å; F98-A132 WeakPolarHBondContact CA-O 3.43Å; F98-V133 HydrophobicContact CD1-CG2 4.01Å; F98-V133 HydrophobicContact CE1-CG2 3.63Å; F98-V133 HydrophobicContact CZ-CG2 4.37Å; F98-T148 HydrophobicContact CE2-CG2 3.94Å; F98-T148 HydrophobicContact CZ-CG2 4.25Å
99	G	97.9	Very high	92.6	Very high	6 Å²	6	44.8 Å²	44.8	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	176.7	172.8	0	0	0	0	0	112.9	A132	G99-A132 PolarHBondContact N-O 3.36Å; G99-A132 PolarHBondContact O-N 3.04Å
100	L	98.1	Very high	92.4	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135	172.9	-64.7	170.2	0	0	0	109.6	V61 L82 L83 V86 L112 F129 F131	V61-L100 HydrophobicContact CG1-CD2 3.76Å; L82-L100 HydrophobicContact CB-CD1 4.05Å; L82-L100 HydrophobicContact CD2-CD1 3.74Å; L82-L100 HydrophobicContact CG-CD1 3.6Å; L83-L100 HydrophobicContact CB-CD1 4.14Å; L83-L100 HydrophobicContact CD1-CG 4.23Å; V86-L100 HydrophobicContact CG2-CD2 4.31Å; L100-L112 HydrophobicContact CB-CB 4.13Å; L100-L112 HydrophobicContact CB-CD2 4.05Å; L100-L112 HydrophobicContact CD1-CD2 4.04Å; L100-L112 WeakPolarHBondContact O-CB 3.44Å; L100-L112 PolarHBondContact O-N 3.15Å; L100-F129 HydrophobicContact CB-CD1 4.42Å; L100-F129 HydrophobicContact CD2-CB 4.41Å; L100-F131 HydrophobicContact CD2-CB 4.25Å; L100-F131 HydrophobicContact CD2-CD2 4.11Å
101	T	96.4	Very high	92.4	Very high	8 Å²	8	43 Å²	43	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	151.1	174	60.6	0	0	0	0	110.6	K109 N110 W111 F129 G130 A132	T101-K109 HydrophobicContact CG2-CG 4.35Å; T101-K109 WeakPolarHBondContact OG1-CE 3.48Å; T101-N110 CarbonylContact C-O 3.55Å; T101-N110 VanDerWaalsContact CA-O 3.24Å; T101-N110 WeakPolarHBondContact CA-O 3.34Å; T101-W111 HydrophobicContact CG2-CD2 3.83Å; T101-W111 HydrophobicContact CG2-CE3 3.42Å; T101-W111 VanDerWaalsContact CG2-CE3 3.42Å; T101-W111 HydrophobicContact CG2-CH2 3.75Å; T101-W111 HydrophobicContact CG2-CZ2 4.14Å; T101-W111 HydrophobicContact CG2-CZ3 3.38Å; T101-F129 CarbonylContact O-C 3.58Å; T101-F129 WeakPolarHBondContact O-CA 3.33Å; T101-F129 WeakPolarHBondContact O-CB 3.18Å; T101-G130 PolarHBondContact N-O 2.94Å; T101-G130 PolarHBondContact O-N 2.97Å; T101-G130 PolarHBondContact OG1-O 2.82Å; T101-A132 HydrophobicContact CG2-CB 4.36Å
102	F	94.8	Very high	92.4	Very high	14 Å²	14	39.9 Å²	39.9	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156	172	67.9	-79.6	0	0	0	109.6	D104 N110 L112 Q121 I122 F129	F102-D104 HydrophobicContact CD2-CB 4.39Å; F102-D104 HydrophobicContact CE2-CB 3.89Å; F102-D104 WeakPolarHBondContact CE2-OD2 3.29Å; F102-N110 HydrophobicContact CD1-CB 4.2Å; F102-N110 WeakPolarHBondContact CD1-O 3.49Å; F102-N110 HydrophobicContact CE1-CB 3.71Å; F102-N110 HydrophobicContact CE2-CB 4.16Å; F102-N110 HydrophobicContact CZ-CB 3.69Å; F102-N110 PolarHBondContact N-O 2.94Å; F102-N110 PolarHBondContact O-N 2.85Å; F102-L112 HydrophobicContact CD1-CB 4.31Å; F102-L112 HydrophobicContact CD1-CD1 4.46Å; F102-L112 HydrophobicContact CE1-CD1 4.49Å; F102-Q121 HydrophobicContact CZ-CB 4.49Å; F102-I122 HydrophobicContact CD2-CG1 4.05Å; F102-I122 HydrophobicContact CE2-CG1 4.43Å; F102-I122 HydrophobicContact CG-CG1 4.35Å; F102-F129 HydrophobicContact CB-CD1 3.93Å; F102-F129 HydrophobicContact CB-CE1 4.12Å
103	I	89.9	Confident	92.3	Very high	130 Å²	130	40.1 Å²	40.1	67%	0.667	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	128.7	170.2	-58.2	178.1	0	0	0	107.6
104	D	84.1	Confident	92.3	Very high	18 Å²	18	38.1 Å²	38.1	10%	0.096	21%	0.206	C	C	.	.			trans	-95.4	173.6	-178.8	-158.8	-53.9	0	0	0	110.6	F102 D106 S107 S108 N110 R318	F102-D104 HydrophobicContact CD2-CB 4.39Å; F102-D104 HydrophobicContact CE2-CB 3.89Å; F102-D104 WeakPolarHBondContact CE2-OD2 3.29Å; D104-D106 PolarHBondContact O-N 3.31Å; D104-S107 WeakPolarHBondContact O-CA 3.35Å; D104-S107 PolarHBondContact O-N 3.05Å; D104-S108 PolarHBondContact N-O 3.14Å; D104-N110 VanDerWaalsContact CB-ND2 3.33Å; D104-N110 WeakPolarHBondContact CB-ND2 3.44Å; D104-R318 VanDerWaalsContact CG-NH1 3.34Å; D104-R318 IonicContact OD1-CZ 3.25Å; D104-R318 IonicContact OD1-NH1 3.72Å; D104-R318 PolarHBondContact OD1-NH1 2.74Å; D104-R318 IonicContact OD1-NH2 3.69Å; D104-R318 PolarHBondContact OD1-NH2 3.2Å; D104-R318 IonicContact OD2-CZ 2.74Å; D104-R318 VanDerWaalsContact OD2-CZ 3.25Å; D104-R318 IonicContact OD2-NH1 3.3Å; D104-R318 IonicContact OD2-NH2 3.15Å; D104-R318 PolarHBondContact OD2-NH2 3.49Å
105	S	82.2	Confident	92.2	Very high	80 Å²	80	40.5 Å²	40.5	56%	0.559	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	2.7	-176.2	71.5	0	0	0	0	115
106	D	81.3	Confident	92.1	Very high	57 Å²	57	41.5 Å²	41.5	31%	0.305	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	23.9	171.9	61.4	1.6	0	0	0	111.5	D104 S108 R318 R322	D104-D106 PolarHBondContact O-N 3.31Å; D106-S108 PolarHBondContact O-N 3.22Å; D106-S108 PolarHBondContact O-OG 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.28Å; D106-S108 PolarHBondContact OD1-N 2.62Å; D106-S108 PolarHBondContact OD1-OG 3.37Å; D106-R318 IonicContact OD1-NH1 3.61Å; D106-R318 PolarHBondContact OD1-NH1 2.59Å; D106-R318 WeakPolarHBondContact OD2-CD 3.46Å; D106-R318 IonicContact OD2-CZ 3.12Å; D106-R318 IonicContact OD2-NE 2.93Å; D106-R318 IonicContact OD2-NH1 2.66Å; D106-R318 PolarHBondContact OD2-NH1 2.84Å; D106-R322 IonicContact OD1-NH1 2.78Å; D106-R322 IonicContact OD2-NH1 2.73Å; D106-R322 PolarHBondContact OD2-NH1 2.7Å
107	S	83	Confident	92	Very high	107 Å²	107	42.9 Å²	42.9	75%	0.748	23%	0.234	S	C	*	.	S	Bend	trans	50.4	12.3	-174	-59.6	0	0	0	0	115.5	D104	D104-S107 WeakPolarHBondContact O-CA 3.35Å; D104-S107 PolarHBondContact O-N 3.05Å
108	S	84.9	Confident	91.8	Very high	28 Å²	28	42.7 Å²	42.7	20%	0.196	23%	0.234	C	C	.	.			trans	-81.5	134.4	179.1	-59.3	0	0	0	0	110.6	D104 D106 N110 R322	D104-S108 PolarHBondContact N-O 3.14Å; D106-S108 PolarHBondContact O-N 3.22Å; D106-S108 PolarHBondContact O-OG 3.27Å; D106-S108 WeakPolarHBondContact OD1-CB 3.28Å; D106-S108 PolarHBondContact OD1-N 2.62Å; D106-S108 PolarHBondContact OD1-OG 3.37Å; S108-N110 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-ND2 3.25Å; S108-R322 PolarHBondContact OG-NH1 3.22Å; S108-R322 VanDerWaalsContact OG-NH1 3.15Å; S108-R322 PolarHBondContact OG-NH2 2.85Å; S108-R322 VanDerWaalsContact OG-NH2 3.16Å
109	K	88.7	Confident	91.6	Very high	123 Å²	123	47.2 Å²	47.2	54%	0.535	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	128.1	164.1	-167.3	171	-179.4	176.2	0	108.8	T101	T101-K109 HydrophobicContact CG2-CG 4.35Å; T101-K109 WeakPolarHBondContact OG1-CE 3.48Å
110	N	91.8	Very high	91.4	Very high	21 Å²	21	54.2 Å²	54.2	11%	0.112	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.1	-176.8	-79.5	-99	0	0	0	110.4	T101 F102 D104 S108 R322	T101-N110 CarbonylContact C-O 3.55Å; T101-N110 VanDerWaalsContact CA-O 3.24Å; T101-N110 WeakPolarHBondContact CA-O 3.34Å; F102-N110 HydrophobicContact CD1-CB 4.2Å; F102-N110 WeakPolarHBondContact CD1-O 3.49Å; F102-N110 HydrophobicContact CE1-CB 3.71Å; F102-N110 HydrophobicContact CE2-CB 4.16Å; F102-N110 HydrophobicContact CZ-CB 3.69Å; F102-N110 PolarHBondContact N-O 2.94Å; F102-N110 PolarHBondContact O-N 2.85Å; D104-N110 VanDerWaalsContact CB-ND2 3.33Å; D104-N110 WeakPolarHBondContact CB-ND2 3.44Å; S108-N110 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-ND2 3.25Å; N110-R322 WeakPolarHBondContact OD1-CD 3.37Å
111	W	95.1	Very high	91.1	Very high	62 Å²	62	55.2 Å²	55.2	24%	0.235	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.2	170	-68.6	107.2	0	0	0	111.5	T101 D113 A132 V133 K134	T101-W111 HydrophobicContact CG2-CD2 3.83Å; T101-W111 HydrophobicContact CG2-CE3 3.42Å; T101-W111 VanDerWaalsContact CG2-CE3 3.42Å; T101-W111 HydrophobicContact CG2-CH2 3.75Å; T101-W111 HydrophobicContact CG2-CZ2 4.14Å; T101-W111 HydrophobicContact CG2-CZ3 3.38Å; W111-D113 PolarHBondContact O-N 3.45Å; W111-A132 HydrophobicContact CH2-CB 3.85Å; W111-A132 HydrophobicContact CZ3-CB 4.19Å; W111-V133 WeakPolarHBondContact CH2-O 3.28Å; W111-K134 HydrophobicContact CD2-CD 3.95Å; W111-K134 HydrophobicContact CD2-CG 4.07Å; W111-K134 HydrophobicContact CE3-CB 4.28Å; W111-K134 HydrophobicContact CE3-CD 3.91Å; W111-K134 HydrophobicContact CE3-CG 4.13Å; W111-K134 HydrophobicContact CG-CD 4.44Å; W111-K134 HydrophobicContact CH2-CB 3.6Å; W111-K134 HydrophobicContact CH2-CG 3.99Å; W111-K134 HydrophobicContact CZ2-CB 3.97Å; W111-K134 HydrophobicContact CZ2-CG 3.9Å; W111-K134 HydrophobicContact CZ3-CB 3.76Å; W111-K134 HydrophobicContact CZ3-CD 4.27Å; W111-K134 HydrophobicContact CZ3-CG 4.09Å
112	L	95.3	Very high	90.8	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.047	29%	0.289	C	S	.	.			trans	-68	126.1	169.4	-174.4	66.1	0	0	0	109.5	L100 F102 P114 I118 Q121 F129	L100-L112 HydrophobicContact CB-CB 4.13Å; L100-L112 HydrophobicContact CB-CD2 4.05Å; L100-L112 HydrophobicContact CD1-CD2 4.04Å; L100-L112 WeakPolarHBondContact O-CB 3.44Å; L100-L112 PolarHBondContact O-N 3.15Å; F102-L112 HydrophobicContact CD1-CB 4.31Å; F102-L112 HydrophobicContact CD1-CD1 4.46Å; F102-L112 HydrophobicContact CE1-CD1 4.49Å; L112-P114 VanDerWaalsContact O-CD 3.28Å; L112-P114 WeakPolarHBondContact O-CD 3.33Å; L112-I118 HydrophobicContact CD2-CG1 4.41Å; L112-Q121 HydrophobicContact CD1-CB 4.28Å; L112-F129 HydrophobicContact CD1-CE1 4.05Å; L112-F129 HydrophobicContact CD2-CD1 4.2Å; L112-F129 HydrophobicContact CD2-CE1 3.75Å; L112-F129 HydrophobicContact CD2-CZ 4.32Å; L112-F129 HydrophobicContact CG-CE1 4.37Å
113	D	94.4	Very high	89.9	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.027	32%	0.32	C	S	.	.			trans	-82	108.6	179.8	-167	-53.7	0	0	0	108.9	W111 S115 K116 Q121 K325 F353	W111-D113 PolarHBondContact O-N 3.45Å; D113-S115 PolarHBondContact O-N 3.02Å; D113-S115 VanDerWaalsContact O-N 3.16Å; D113-S115 PolarHBondContact OD1-OG 2.84Å; D113-K116 HydrophobicContact CB-CD 4.11Å; D113-K116 PolarHBondContact O-N 3.46Å; D113-K116 VanDerWaalsContact O-N 3.14Å; D113-K116 IonicContact OD1-NZ 2.7Å; D113-K116 PolarHBondContact OD1-NZ 2.67Å; D113-K116 WeakPolarHBondContact OD2-CE 3.46Å; D113-K116 IonicContact OD2-NZ 3.27Å; D113-K116 PolarHBondContact OD2-NZ 2.94Å; D113-Q121 PolarHBondContact O-NE2 3.46Å; D113-K325 IonicContact OD2-NZ 2.71Å; D113-K325 PolarHBondContact OD2-NZ 3.43Å; D113-F353 WeakPolarHBondContact OD2-CE2 3.44Å
114	P	94.8	Very high	89.2	Confident	29 Å²	29	64.6 Å²	64.6	19%	0.188	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.2	-169.5	24.8	-34	0	0	0	112.6	Q80 L112 K116	Q80-P114 HydrophobicContact CB-CB 4.01Å; Q80-P114 WeakPolarHBondContact CB-O 3.44Å; Q80-P114 PolarHBondContact N-O 2.71Å; L112-P114 VanDerWaalsContact O-CD 3.28Å; L112-P114 WeakPolarHBondContact O-CD 3.33Å; P114-K116 PolarHBondContact O-N 2.84Å
115	S	92.9	Very high	89	Confident	50 Å²	50	66.7 Å²	66.7	35%	0.35	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-15.9	178.9	74.6	0	0	0	0	114.4	D113	D113-S115 PolarHBondContact O-N 3.02Å; D113-S115 VanDerWaalsContact O-N 3.16Å; D113-S115 PolarHBondContact OD1-OG 2.84Å
116	K	94.1	Very high	89.3	Confident	84 Å²	84	67.1 Å²	67.1	37%	0.365	35%	0.352	S	S	.	.	S	Bend	trans	-115.8	151.6	-168.4	-70.4	168.3	-167.4	65.4	0	112.7	K78 G79 D113 P114 I118 Q121	K78-K116 CarbonylContact C-O 3.54Å; K78-K116 VanDerWaalsContact CA-O 3.29Å; K78-K116 WeakPolarHBondContact CA-O 3.32Å; G79-K116 PolarHBondContact N-O 3.46Å; D113-K116 HydrophobicContact CB-CD 4.11Å; D113-K116 PolarHBondContact O-N 3.46Å; D113-K116 VanDerWaalsContact O-N 3.14Å; D113-K116 IonicContact OD1-NZ 2.7Å; D113-K116 PolarHBondContact OD1-NZ 2.67Å; D113-K116 WeakPolarHBondContact OD2-CE 3.46Å; D113-K116 IonicContact OD2-NZ 3.27Å; D113-K116 PolarHBondContact OD2-NZ 2.94Å; P114-K116 PolarHBondContact O-N 2.84Å; K116-I118 PolarHBondContact O-N 3.39Å; K116-Q121 HydrophobicContact CB-CG 4.33Å; K116-Q121 PolarHBondContact O-NE2 2.79Å
117	E	95.4	Very high	89.9	Confident	53 Å²	53	65.7 Å²	65.7	25%	0.248	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-55.3	132.9	169.9	-70.7	155.9	-118.2	0	0	111.1	A77 K119 K120	A77-E117 VanDerWaalsContact O-CA 3.31Å; A77-E117 WeakPolarHBondContact O-CA 3.33Å; E117-K119 VanDerWaalsContact C-N 3.29Å; E117-K119 PolarHBondContact O-N 2.94Å; E117-K120 HydrophobicContact CB-CB 4.29Å; E117-K120 HydrophobicContact CB-CD 4.14Å; E117-K120 HydrophobicContact CB-CG 4.15Å; E117-K120 PolarHBondContact O-N 3.44Å; E117-K120 IonicContact OE1-NZ 3.35Å; E117-K120 PolarHBondContact OE1-NZ 3.06Å; E117-K120 WeakPolarHBondContact OE2-CD 3.45Å; E117-K120 WeakPolarHBondContact OE2-CE 3.41Å; E117-K120 IonicContact OE2-NZ 3.6Å; E117-K120 PolarHBondContact OE2-NZ 3.03Å
118	I	95.5	Very high	90.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-58.9	-44	-179.6	-63.2	169.7	0	0	0	110.5	V73 A77 L82 L112 K116 K120 Q121 I122 W127 F129	V73-I118 HydrophobicContact CG2-CD1 4.22Å; A77-I118 PolarHBondContact O-N 3.5Å; L82-I118 HydrophobicContact CB-CD1 3.98Å; L82-I118 HydrophobicContact CD2-CD1 4.1Å; L112-I118 HydrophobicContact CD2-CG1 4.41Å; K116-I118 PolarHBondContact O-N 3.39Å; I118-K120 PolarHBondContact O-N 2.88Å; I118-Q121 PolarHBondContact O-N 2.96Å; I118-I122 HydrophobicContact CG2-CD1 4.22Å; I118-I122 PolarHBondContact O-N 3.27Å; I118-I122 VanDerWaalsContact O-N 3.11Å; I118-W127 HydrophobicContact CB-CE3 4.15Å; I118-W127 HydrophobicContact CB-CH2 3.98Å; I118-W127 HydrophobicContact CB-CZ3 3.76Å; I118-W127 HydrophobicContact CD1-CE3 4.42Å; I118-W127 HydrophobicContact CD1-CZ3 4.2Å; I118-W127 HydrophobicContact CG2-CD2 3.76Å; I118-W127 HydrophobicContact CG2-CE3 3.54Å; I118-W127 HydrophobicContact CG2-CG 4.48Å; I118-W127 HydrophobicContact CG2-CH2 4.01Å; I118-W127 HydrophobicContact CG2-CZ2 4.19Å; I118-W127 HydrophobicContact CG2-CZ3 3.67Å; I118-F129 HydrophobicContact CG2-CZ 3.71Å
119	K	93.5	Very high	91.1	Very high	104 Å²	104	62.3 Å²	62.3	45%	0.452	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-60.3	-14.8	177	-161.2	-177.1	178.6	-59.9	0	114.8	K75 E117 W127	K75-K119 HydrophobicContact CG-CD 4.27Å; E117-K119 VanDerWaalsContact C-N 3.29Å; E117-K119 PolarHBondContact O-N 2.94Å; K119-W127 HydrophobicContact CB-CH2 3.96Å; K119-W127 HydrophobicContact CB-CZ2 3.68Å; K119-W127 HydrophobicContact CG-CZ2 4.03Å
120	K	92.9	Very high	91.5	Very high	152 Å²	152	57.4 Å²	57.4	66%	0.661	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-97.3	1.8	176.4	-70.3	179.4	176.5	154.9	0	112.8	E117 I118	E117-K120 HydrophobicContact CB-CB 4.29Å; E117-K120 HydrophobicContact CB-CD 4.14Å; E117-K120 HydrophobicContact CB-CG 4.15Å; E117-K120 PolarHBondContact O-N 3.44Å; E117-K120 IonicContact OE1-NZ 3.35Å; E117-K120 PolarHBondContact OE1-NZ 3.06Å; E117-K120 WeakPolarHBondContact OE2-CD 3.45Å; E117-K120 WeakPolarHBondContact OE2-CE 3.41Å; E117-K120 IonicContact OE2-NZ 3.6Å; E117-K120 PolarHBondContact OE2-NZ 3.03Å; I118-K120 PolarHBondContact O-N 2.88Å
121	Q	92	Very high	91.8	Very high	26 Å²	26	56.8 Å²	56.8	12%	0.121	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-56.1	-178.1	-57.6	-172	73.8	0	0	110.5	F102 L112 D113 K116 I118 R123	F102-Q121 HydrophobicContact CZ-CB 4.49Å; L112-Q121 HydrophobicContact CD1-CB 4.28Å; D113-Q121 PolarHBondContact O-NE2 3.46Å; K116-Q121 HydrophobicContact CB-CG 4.33Å; K116-Q121 PolarHBondContact O-NE2 2.79Å; I118-Q121 PolarHBondContact O-N 2.96Å; Q121-R123 PolarHBondContact O-N 3.19Å
122	I	89.6	Confident	91.9	Very high	19 Å²	19	54 Å²	54	10%	0.097	29%	0.286	C	S	.	.			trans	-71.1	125	168.7	-61.7	-179.2	0	0	0	108.5	F102 I118 I124 W127 F129	F102-I122 HydrophobicContact CD2-CG1 4.05Å; F102-I122 HydrophobicContact CE2-CG1 4.43Å; F102-I122 HydrophobicContact CG-CG1 4.35Å; I118-I122 HydrophobicContact CG2-CD1 4.22Å; I118-I122 PolarHBondContact O-N 3.27Å; I118-I122 VanDerWaalsContact O-N 3.11Å; I122-I124 WeakPolarHBondContact CG2-O 3.49Å; I122-W127 HydrophobicContact CD1-CB 4.46Å; I122-W127 HydrophobicContact CD1-CG 4.25Å; I122-F129 HydrophobicContact CD1-CE1 3.7Å; I122-F129 HydrophobicContact CD1-CE2 4.33Å; I122-F129 HydrophobicContact CD1-CZ 3.45Å; I122-F129 VanDerWaalsContact CD1-CZ 3.45Å
123	R	77.3	Confident	92.1	Very high	189 Å²	189	53.7 Å²	53.7	71%	0.713	29%	0.285	S	S	*	.			trans	-96.9	-37.5	-177.3	-66.8	177.9	170.5	-166.9	-6.3	113.3	Q121	Q121-R123 PolarHBondContact O-N 3.19Å
124	I	75.1	Confident	92.2	Very high	141 Å²	141	54.4 Å²	54.4	72%	0.723	29%	0.287	S	S	*	.	S	Bend	trans	-144.9	150.4	-171.9	-53.2	177.6	0	0	0	106.9	I122	I122-I124 WeakPolarHBondContact CG2-O 3.49Å
125	G	79.8	Confident	92.4	Very high	61 Å²	61	53.1 Å²	53.1	63%	0.629	28%	0.279	S	S	*	.	S	Bend	trans	96.9	179.7	172.3	0	0	0	0	0	115.6
126	S	87.6	Confident	92.6	Very high	90 Å²	90	51.9 Å²	51.9	63%	0.629	27%	0.267	S	S	*	.			trans	-66	158.9	170.5	51.7	0	0	0	0	111.3	T128	S126-T128 VanDerWaalsContact C-N 3.26Å; S126-T128 PolarHBondContact O-N 2.64Å; S126-T128 PolarHBondContact OG-OG1 2.68Å
127	W	94	Very high	92.8	Very high	27 Å²	27	48 Å²	48	10%	0.102	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	73.6	174.9	-72	18.1	0	0	0	109.2	V57 V59 K60 V73 I118 K119 I122 F129	V57-W127 HydrophobicContact CB-CD2 4.4Å; V57-W127 HydrophobicContact CB-CE3 4.1Å; V57-W127 HydrophobicContact CB-CH2 4.38Å; V57-W127 HydrophobicContact CB-CZ3 4.1Å; V57-W127 HydrophobicContact CG1-CD2 3.71Å; V57-W127 HydrophobicContact CG1-CE3 3.9Å; V57-W127 HydrophobicContact CG1-CG 4.07Å; V57-W127 HydrophobicContact CG1-CZ2 4.36Å; V57-W127 HydrophobicContact CG1-CZ3 4.3Å; V57-W127 HydrophobicContact CG2-CH2 4.21Å; V57-W127 HydrophobicContact CG2-CZ2 4.44Å; V57-W127 HydrophobicContact CG2-CZ3 4.39Å; V59-W127 WeakPolarHBondContact CA-O 3.2Å; V59-W127 HydrophobicContact CG2-CB 3.94Å; V59-W127 HydrophobicContact CG2-CE3 3.86Å; K60-W127 PolarHBondContact N-O 3.16Å; V73-W127 HydrophobicContact CG2-CE3 3.93Å; V73-W127 HydrophobicContact CG2-CZ3 3.65Å; I118-W127 HydrophobicContact CB-CE3 4.15Å; I118-W127 HydrophobicContact CB-CH2 3.98Å; I118-W127 HydrophobicContact CB-CZ3 3.76Å; I118-W127 HydrophobicContact CD1-CE3 4.42Å; I118-W127 HydrophobicContact CD1-CZ3 4.2Å; I118-W127 HydrophobicContact CG2-CD2 3.76Å; I118-W127 HydrophobicContact CG2-CE3 3.54Å; I118-W127 HydrophobicContact CG2-CG 4.48Å; I118-W127 HydrophobicContact CG2-CH2 4.01Å; I118-W127 HydrophobicContact CG2-CZ2 4.19Å; I118-W127 HydrophobicContact CG2-CZ3 3.67Å; K119-W127 HydrophobicContact CB-CH2 3.96Å; K119-W127 HydrophobicContact CB-CZ2 3.68Å; K119-W127 HydrophobicContact CG-CZ2 4.03Å; I122-W127 HydrophobicContact CD1-CB 4.46Å; I122-W127 HydrophobicContact CD1-CG 4.25Å; W127-F129 HydrophobicContact CB-CE2 4Å; W127-F129 HydrophobicContact CB-CZ 4.48Å
128	T	95	Very high	92.8	Very high	58 Å²	58	48 Å²	48	36%	0.356	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.4	179.3	-49.3	0	0	0	0	110.1	K60 S126	K60-T128 HydrophobicContact CB-CG2 4.43Å; K60-T128 HydrophobicContact CG-CG2 4.33Å; K60-T128 CarbonylContact O-C 3.41Å; K60-T128 WeakPolarHBondContact O-CA 3.5Å; S126-T128 VanDerWaalsContact C-N 3.26Å; S126-T128 PolarHBondContact O-N 2.64Å; S126-T128 PolarHBondContact OG-OG1 2.68Å
129	F	97.5	Very high	92.8	Very high	5 Å²	5	50.9 Å²	50.9	2%	0.022	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.4	-178.9	-56.2	-86.4	0	0	0	111.9	V59 K60 V61 T62 L82 L100 T101 F102 L112 I118 I122 W127	V59-F129 HydrophobicContact CG1-CD2 3.73Å; V59-F129 HydrophobicContact CG1-CE2 3.72Å; K60-F129 PolarHBondContact O-N 3.15Å; V61-F129 CarbonylContact C-O 3.6Å; V61-F129 WeakPolarHBondContact CA-O 3.38Å; V61-F129 HydrophobicContact CG1-CB 4.34Å; V61-F129 HydrophobicContact CG2-CB 4.32Å; V61-F129 HydrophobicContact CG2-CD2 4.37Å; T62-F129 PolarHBondContact N-O 2.92Å; L82-F129 HydrophobicContact CD2-CD2 3.55Å; L82-F129 HydrophobicContact CD2-CE2 3.38Å; L82-F129 HydrophobicContact CD2-CG 4.2Å; L82-F129 HydrophobicContact CD2-CZ 3.94Å; L100-F129 HydrophobicContact CB-CD1 4.42Å; L100-F129 HydrophobicContact CD2-CB 4.41Å; T101-F129 CarbonylContact O-C 3.58Å; T101-F129 WeakPolarHBondContact O-CA 3.33Å; T101-F129 WeakPolarHBondContact O-CB 3.18Å; F102-F129 HydrophobicContact CB-CD1 3.93Å; F102-F129 HydrophobicContact CB-CE1 4.12Å; L112-F129 HydrophobicContact CD1-CE1 4.05Å; L112-F129 HydrophobicContact CD2-CD1 4.2Å; L112-F129 HydrophobicContact CD2-CE1 3.75Å; L112-F129 HydrophobicContact CD2-CZ 4.32Å; L112-F129 HydrophobicContact CG-CE1 4.37Å; I118-F129 HydrophobicContact CG2-CZ 3.71Å; I122-F129 HydrophobicContact CD1-CE1 3.7Å; I122-F129 HydrophobicContact CD1-CE2 4.33Å; I122-F129 HydrophobicContact CD1-CZ 3.45Å; I122-F129 VanDerWaalsContact CD1-CZ 3.45Å; W127-F129 HydrophobicContact CB-CE2 4Å; W127-F129 HydrophobicContact CB-CZ 4.48Å
130	G	97.4	Very high	92.9	Very high	20 Å²	20	45.9 Å²	45.9	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.2	162.3	0	0	0	0	0	110.8	T101	T101-G130 PolarHBondContact N-O 2.94Å; T101-G130 PolarHBondContact O-N 2.97Å; T101-G130 PolarHBondContact OG1-O 2.82Å
131	F	98.4	Very high	93	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.035	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.3	168.1	-176.2	-108.7	0	0	0	109.6	V61 T62 L63 L64 L83 V86 L90 L92 F98 L100	V61-F131 HydrophobicContact CG1-CB 4.12Å; T62-F131 PolarHBondContact O-N 3.1Å; L63-F131 HydrophobicContact CD2-CB 4.16Å; L64-F131 HydrophobicContact CD1-CD1 3.76Å; L64-F131 HydrophobicContact CD1-CE1 3.85Å; L64-F131 HydrophobicContact CG-CD1 3.98Å; L83-F131 HydrophobicContact CD1-CE2 4.17Å; V86-F131 HydrophobicContact CG1-CB 4.37Å; V86-F131 HydrophobicContact CG1-CD2 3.62Å; V86-F131 HydrophobicContact CG1-CE2 4.03Å; V86-F131 HydrophobicContact CG1-CG 4.02Å; L90-F131 HydrophobicContact CD1-CD1 3.66Å; L90-F131 HydrophobicContact CD1-CE1 3.35Å; L90-F131 HydrophobicContact CD1-CE2 4.27Å; L90-F131 HydrophobicContact CD1-CG 4.25Å; L90-F131 HydrophobicContact CD1-CZ 3.68Å; L92-F131 HydrophobicContact CD2-CZ 4.01Å; F98-F131 HydrophobicContact CB-CE1 4.46Å; F98-F131 HydrophobicContact CB-CE2 3.65Å; F98-F131 HydrophobicContact CB-CZ 3.54Å; F98-F131 AromaticContact CD1-CE1 3.56Å; F98-F131 HydrophobicContact CD1-CE1 3.56Å; F98-F131 HydrophobicContact CD1-CE2 4.29Å; F98-F131 AromaticContact CD1-CZ 3.43Å; F98-F131 HydrophobicContact CD1-CZ 3.43Å; F98-F131 VanDerWaalsContact CD1-CZ 3.43Å; F98-F131 HydrophobicContact CD2-CZ 4.44Å; F98-F131 HydrophobicContact CE1-CE1 4.08Å; F98-F131 HydrophobicContact CE1-CZ 4.25Å; F98-F131 HydrophobicContact CG-CE1 4.18Å; F98-F131 HydrophobicContact CG-CE2 4.19Å; F98-F131 AromaticContact CG-CZ 3.55Å; F98-F131 HydrophobicContact CG-CZ 3.55Å; L100-F131 HydrophobicContact CD2-CB 4.25Å; L100-F131 HydrophobicContact CD2-CD2 4.11Å
132	A	98.1	Very high	93	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.033	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.6	-172.5	0	0	0	0	0	112.3	F98 G99 T101 W111 K134	F98-A132 WeakPolarHBondContact CA-O 3.43Å; G99-A132 PolarHBondContact N-O 3.36Å; G99-A132 PolarHBondContact O-N 3.04Å; T101-A132 HydrophobicContact CG2-CB 4.36Å; W111-A132 HydrophobicContact CH2-CB 3.85Å; W111-A132 HydrophobicContact CZ3-CB 4.19Å; A132-K134 PolarHBondContact O-N 3.01Å
133	V	98.3	Very high	93.3	Very high	3 Å²	3	41 Å²	41	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	125.5	168.1	-178.2	0	0	0	0	108.6	F98 W111 Y136 L152 Q155	F98-V133 HydrophobicContact CD1-CG2 4.01Å; F98-V133 HydrophobicContact CE1-CG2 3.63Å; F98-V133 HydrophobicContact CZ-CG2 4.37Å; W111-V133 WeakPolarHBondContact CH2-O 3.28Å; V133-Y136 HydrophobicContact CB-CE1 4.12Å; V133-Y136 HydrophobicContact CB-CE2 4.2Å; V133-Y136 HydrophobicContact CG1-CD1 4.08Å; V133-Y136 HydrophobicContact CG1-CD2 4.03Å; V133-Y136 HydrophobicContact CG1-CE1 4.07Å; V133-Y136 HydrophobicContact CG1-CE2 4Å; V133-Y136 HydrophobicContact CG1-CG 4.04Å; V133-L152 HydrophobicContact CG1-CD1 4.16Å; V133-L152 HydrophobicContact CG2-CD1 4Å; V133-Q155 HydrophobicContact CB-CB 4.38Å; V133-Q155 HydrophobicContact CB-CG 3.9Å; V133-Q155 HydrophobicContact CG2-CB 3.64Å; V133-Q155 HydrophobicContact CG2-CG 3.72Å; V133-Q155 VanDerWaalsContact N-OE1 3.15Å
134	K	97.7	Very high	94.1	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.083	22%	0.224	C	C	.	.	S	Bend	trans	-97.9	-33.2	178.3	-174.8	170.7	-177.4	177.5	0	112.7	Y97 W111 A132 E329	Y97-K134 PolarHBondContact O-N 3.1Å; W111-K134 HydrophobicContact CD2-CD 3.95Å; W111-K134 HydrophobicContact CD2-CG 4.07Å; W111-K134 HydrophobicContact CE3-CB 4.28Å; W111-K134 HydrophobicContact CE3-CD 3.91Å; W111-K134 HydrophobicContact CE3-CG 4.13Å; W111-K134 HydrophobicContact CG-CD 4.44Å; W111-K134 HydrophobicContact CH2-CB 3.6Å; W111-K134 HydrophobicContact CH2-CG 3.99Å; W111-K134 HydrophobicContact CZ2-CB 3.97Å; W111-K134 HydrophobicContact CZ2-CG 3.9Å; W111-K134 HydrophobicContact CZ3-CB 3.76Å; W111-K134 HydrophobicContact CZ3-CD 4.27Å; W111-K134 HydrophobicContact CZ3-CG 4.09Å; A132-K134 PolarHBondContact O-N 3.01Å; K134-E329 WeakPolarHBondContact CE-OE2 3.4Å; K134-E329 IonicContact NZ-OE1 2.7Å; K134-E329 PolarHBondContact NZ-OE1 2.86Å; K134-E329 IonicContact NZ-OE2 2.69Å; K134-E329 PolarHBondContact NZ-OE2 3.27Å
135	F	98.1	Very high	95	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.013	19%	0.191	C	C	.	.	S	Bend	trans	-131.8	104.4	-179.3	-57.3	-60.2	0	0	0	109.5	D96 Y97 P137 E329 H330 F333 F334 Y355	D96-F135 VanDerWaalsContact O-CD2 3.3Å; D96-F135 WeakPolarHBondContact O-CD2 3.15Å; Y97-F135 HydrophobicContact CD1-CB 4.48Å; Y97-F135 WeakPolarHBondContact CD1-O 3.44Å; Y97-F135 PolarHBondContact O-N 2.87Å; F135-P137 WeakPolarHBondContact O-CD 3.21Å; F135-E329 HydrophobicContact CE1-CB 4.15Å; F135-E329 HydrophobicContact CZ-CB 4.05Å; F135-H330 AromaticContact CD1-CE1 3.9Å; F135-H330 AromaticContact CD1-NE2 3.87Å; F135-H330 AromaticContact CE1-ND1 3.88Å; F135-F333 HydrophobicContact CB-CD1 3.67Å; F135-F333 HydrophobicContact CB-CE1 3.56Å; F135-F333 HydrophobicContact CB-CG 4.38Å; F135-F333 HydrophobicContact CB-CZ 4.21Å; F135-F333 HydrophobicContact CD1-CB 4.22Å; F135-F333 HydrophobicContact CD1-CD1 4.11Å; F135-F333 HydrophobicContact CD1-CG 4.2Å; F135-F333 HydrophobicContact CD2-CB 4.34Å; F135-F333 AromaticContact CD2-CD1 3.85Å; F135-F333 HydrophobicContact CD2-CD1 3.85Å; F135-F333 AromaticContact CD2-CD2 3.75Å; F135-F333 HydrophobicContact CD2-CD2 3.75Å; F135-F333 HydrophobicContact CD2-CE1 4.03Å; F135-F333 AromaticContact CD2-CE2 3.95Å; F135-F333 HydrophobicContact CD2-CE2 3.95Å; F135-F333 AromaticContact CD2-CG 3.7Å; F135-F333 HydrophobicContact CD2-CG 3.7Å; F135-F333 HydrophobicContact CD2-CZ 4.08Å; F135-F333 HydrophobicContact CE1-CB 4.02Å; F135-F333 HydrophobicContact CE1-CG 4.37Å; F135-F333 HydrophobicContact CE2-CB 4.16Å; F135-F333 HydrophobicContact CE2-CD1 4.49Å; F135-F333 AromaticContact CE2-CD2 3.83Å; F135-F333 HydrophobicContact CE2-CD2 3.83Å; F135-F333 HydrophobicContact CE2-CE2 4.35Å; F135-F333 AromaticContact CE2-CG 3.91Å; F135-F333 HydrophobicContact CE2-CG 3.91Å; F135-F333 HydrophobicContact CG-CB 4.37Å; F135-F333 AromaticContact CG-CD1 3.63Å; F135-F333 HydrophobicContact CG-CD1 3.63Å; F135-F333 HydrophobicContact CG-CD2 4.36Å; F135-F333 AromaticContact CG-CE1 3.93Å; F135-F333 HydrophobicContact CG-CE1 3.93Å; F135-F333 AromaticContact CG-CG 3.86Å; F135-F333 HydrophobicContact CG-CG 3.86Å; F135-F333 HydrophobicContact CG-CZ 4.43Å; F135-F333 HydrophobicContact CZ-CB 3.98Å; F135-F333 HydrophobicContact CZ-CD2 4.48Å; F135-F333 HydrophobicContact CZ-CG 4.22Å; F135-F334 HydrophobicContact CB-CE2 3.92Å; F135-F334 HydrophobicContact CB-CZ 3.71Å; F135-F334 AromaticContact CD1-CE2 3.98Å; F135-F334 HydrophobicContact CD1-CE2 3.98Å; F135-F334 HydrophobicContact CG-CE2 4.31Å; F135-Y355 AromaticContact CE2-CE2 3.94Å; F135-Y355 HydrophobicContact CE2-CE2 3.94Å; F135-Y355 AromaticContact CZ-CE2 3.84Å; F135-Y355 HydrophobicContact CZ-CE2 3.84Å
136	Y	98.4	Very high	95.7	Very high	23 Å²	23	29 Å²	29	9%	0.09	17%	0.172	C	C	.	.			trans	-75	121	179.3	-66.1	-101.3	0	0	0	109.7	V133 L152 Q155 L156 Y243 G244 F334	V133-Y136 HydrophobicContact CB-CE1 4.12Å; V133-Y136 HydrophobicContact CB-CE2 4.2Å; V133-Y136 HydrophobicContact CG1-CD1 4.08Å; V133-Y136 HydrophobicContact CG1-CD2 4.03Å; V133-Y136 HydrophobicContact CG1-CE1 4.07Å; V133-Y136 HydrophobicContact CG1-CE2 4Å; V133-Y136 HydrophobicContact CG1-CG 4.04Å; Y136-L152 HydrophobicContact CD1-CD1 3.85Å; Y136-L152 HydrophobicContact CE1-CD1 4.21Å; Y136-Q155 HydrophobicContact CE1-CG 4.01Å; Y136-Q155 WeakPolarHBondContact OH-CG 3.36Å; Y136-L156 HydrophobicContact CD1-CD2 4.25Å; Y136-L156 HydrophobicContact CE1-CD2 4.07Å; Y136-Y243 HydrophobicContact CD1-CE2 4.36Å; Y136-G244 VanDerWaalsContact CD2-CA 3.45Å; Y136-G244 VanDerWaalsContact CG-CA 3.43Å; Y136-F334 VanDerWaalsContact O-CZ 3.26Å; Y136-F334 WeakPolarHBondContact O-CZ 3.14Å
137	P	97.1	Very high	96	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.013	14%	0.143	C	C	.	.			trans	-61.7	129.4	176.7	-20.2	31.9	0	0	0	110	Y97 F135 D139 L143 L152 Y243	Y97-P137 HydrophobicContact CD1-CG 4.03Å; Y97-P137 HydrophobicContact CE1-CG 3.95Å; F135-P137 WeakPolarHBondContact O-CD 3.21Å; P137-D139 PolarHBondContact O-N 3.25Å; P137-L143 HydrophobicContact CG-CD1 4.08Å; P137-L143 HydrophobicContact CG-CD2 3.86Å; P137-L143 HydrophobicContact CG-CG 4.12Å; P137-L152 HydrophobicContact CG-CD2 4.3Å; P137-Y243 VanDerWaalsContact O-CE1 3.27Å; P137-Y243 WeakPolarHBondContact O-CE1 3.47Å; P137-Y243 PolarHBondContact O-OH 2.82Å
138	P	95.9	Very high	96.2	Very high	54 Å²	54	23.6 Å²	23.6	35%	0.351	14%	0.138	S	C	.	.	S	Bend	trans	-66.7	-15.7	174.8	28.7	-35.5	0	0	0	112.5	A264	P138-A264 HydrophobicContact CB-CB 4.26Å; P138-A264 HydrophobicContact CG-CB 4.3Å
139	D	95.7	Very high	96.2	Very high	60 Å²	60	22 Å²	22	32%	0.321	13%	0.125	S	C	.	.	S	Bend	trans	-140.3	98.7	174.1	-171.8	11.3	0	0	0	108.8	P137 S141 V142 K238	P137-D139 PolarHBondContact O-N 3.25Å; D139-S141 PolarHBondContact O-N 3.03Å; D139-S141 PolarHBondContact OD1-OG 3.07Å; D139-S141 PolarHBondContact OD2-OG 3.31Å; D139-V142 HydrophobicContact CB-CG1 4.26Å; D139-V142 WeakPolarHBondContact O-CG2 3.1Å; D139-V142 PolarHBondContact O-N 3.2Å; D139-K238 IonicContact OD1-NZ 2.81Å; D139-K238 PolarHBondContact OD1-NZ 2.71Å
140	P	96.1	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-65	-19.5	-177.9	-24.6	36.9	0	0	0	114.3	V142 L143 L152 L234 K238	P140-V142 PolarHBondContact O-N 3Å; P140-V142 VanDerWaalsContact O-N 3.11Å; P140-L143 VanDerWaalsContact O-CB 3.31Å; P140-L143 WeakPolarHBondContact O-CB 3.46Å; P140-L143 WeakPolarHBondContact O-CG 3.12Å; P140-L143 PolarHBondContact O-N 2.89Å; P140-L152 HydrophobicContact CB-CD2 4.14Å; P140-L152 HydrophobicContact CG-CD2 4.24Å; P140-L234 HydrophobicContact CB-CB 3.92Å; P140-L234 HydrophobicContact CB-CD1 4Å; P140-L234 HydrophobicContact CB-CG 4.39Å; P140-L234 HydrophobicContact CG-CB 4.06Å; P140-K238 HydrophobicContact CG-CB 4.45Å; P140-K238 HydrophobicContact CG-CD 4.18Å
141	S	93.6	Very high	96.2	Very high	63 Å²	63	22.6 Å²	22.6	44%	0.441	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-61	-16.8	175.4	70.7	0	0	0	0	113.8	D139 L143	D139-S141 PolarHBondContact O-N 3.03Å; D139-S141 PolarHBondContact OD1-OG 3.07Å; D139-S141 PolarHBondContact OD2-OG 3.31Å; S141-L143 VanDerWaalsContact C-N 3.33Å
142	V	92.7	Very high	96.2	Very high	26 Å²	26	22.4 Å²	22.4	16%	0.158	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-84.4	-3.1	176	-43	0	0	0	0	114.1	D139 P140	D139-V142 HydrophobicContact CB-CG1 4.26Å; D139-V142 WeakPolarHBondContact O-CG2 3.1Å; D139-V142 PolarHBondContact O-N 3.2Å; P140-V142 PolarHBondContact O-N 3Å; P140-V142 VanDerWaalsContact O-N 3.11Å
143	L	95.6	Very high	96.1	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	12%	0.123	C	C	.	.			trans	-79.8	120.7	174.3	-63.7	-178.6	0	0	0	109.9	Y97 P137 P140 S141 T148 R149 L152	Y97-L143 HydrophobicContact CD2-CD2 3.79Å; Y97-L143 HydrophobicContact CE1-CD2 4.41Å; Y97-L143 HydrophobicContact CE2-CD2 3.26Å; P137-L143 HydrophobicContact CG-CD1 4.08Å; P137-L143 HydrophobicContact CG-CD2 3.86Å; P137-L143 HydrophobicContact CG-CG 4.12Å; P140-L143 VanDerWaalsContact O-CB 3.31Å; P140-L143 WeakPolarHBondContact O-CB 3.46Å; P140-L143 WeakPolarHBondContact O-CG 3.12Å; P140-L143 PolarHBondContact O-N 2.89Å; S141-L143 VanDerWaalsContact C-N 3.33Å; L143-T148 HydrophobicContact CD1-CG2 3.91Å; L143-T148 HydrophobicContact CD2-CG2 3.93Å; L143-T148 HydrophobicContact CG-CG2 4.34Å; L143-R149 HydrophobicContact CB-CG 3.8Å; L143-R149 HydrophobicContact CD1-CG 3.94Å; L143-R149 PolarHBondContact O-NH1 2.83Å; L143-L152 HydrophobicContact CD1-CD2 3.93Å
144	I	94.4	Very high	96.1	Very high	88 Å²	88	22.8 Å²	22.8	45%	0.451	12%	0.123	S	C	.	.			trans	-74.6	-44.2	-172.8	-57.5	-56.8	0	0	0	111	E94 R149	E94-I144 PolarHBondContact OE1-N 3.22Å; E94-I144 VanDerWaalsContact OE1-N 3.15Å; E94-I144 PolarHBondContact OE2-N 3.08Å; E94-I144 VanDerWaalsContact OE2-N 3.1Å; I144-R149 PolarHBondContact O-NH1 3.31Å
145	E	93.9	Very high	96.1	Very high	9 Å²	9	22 Å²	22	4%	0.042	12%	0.12	C	C	.	.			trans	-93.1	131.8	-173.3	-43.1	-163.5	106	0	0	112.7	L93 E94 I147 T148 R149 I370 R372	L93-E145 WeakPolarHBondContact CB-OE2 3.49Å; L93-E145 PolarHBondContact N-OE2 3.14Å; L93-E145 VanDerWaalsContact N-OE2 3.15Å; E94-E145 HydrophobicContact CG-CG 4.26Å; E94-E145 PolarHBondContact OE2-N 2.86Å; E145-I147 HydrophobicContact CB-CG2 3.96Å; E145-I147 PolarHBondContact O-N 3.3Å; E145-T148 WeakPolarHBondContact O-CA 3.45Å; E145-T148 VanDerWaalsContact O-CB 3.24Å; E145-T148 WeakPolarHBondContact O-CB 3.22Å; E145-T148 PolarHBondContact O-N 2.88Å; E145-T148 PolarHBondContact O-OG1 3.26Å; E145-R149 PolarHBondContact O-N 2.9Å; E145-I370 HydrophobicContact CG-CD1 3.86Å; E145-R372 VanDerWaalsContact CD-NH2 3.25Å; E145-R372 IonicContact OE1-CZ 3.94Å; E145-R372 IonicContact OE1-NE 3.82Å; E145-R372 PolarHBondContact OE1-NE 3.12Å; E145-R372 IonicContact OE1-NH2 3.1Å; E145-R372 PolarHBondContact OE1-NH2 3.28Å; E145-R372 IonicContact OE2-NH2 3.18Å; E145-R372 PolarHBondContact OE2-NH2 2.88Å; E145-R372 VanDerWaalsContact OE2-NH2 3.12Å
146	D	93.6	Very high	96.1	Very high	41 Å²	41	21.9 Å²	21.9	22%	0.219	12%	0.119	C	C	.	.	H	α-helix	trans	-50	-42	172.3	-67.1	40.3	0	0	0	112.2	T148 R149 Y150 A227 F377	D146-T148 VanDerWaalsContact C-N 3.26Å; D146-T148 PolarHBondContact O-N 2.84Å; D146-R149 CarbonylContact O-C 3.58Å; D146-R149 WeakPolarHBondContact O-CA 3.35Å; D146-R149 WeakPolarHBondContact O-CB 3.37Å; D146-R149 PolarHBondContact O-N 2.91Å; D146-R149 IonicContact OD1-CZ 2.72Å; D146-R149 IonicContact OD1-NH1 3.54Å; D146-R149 IonicContact OD1-NH2 3.71Å; D146-R149 PolarHBondContact OD1-NH2 3.32Å; D146-R149 IonicContact OD2-NH2 3.59Å; D146-R149 PolarHBondContact OD2-NH2 3.27Å; D146-Y150 PolarHBondContact O-N 2.79Å; D146-A227 WeakPolarHBondContact OD2-CB 2.83Å; D146-F377 HydrophobicContact CB-CE1 4.25Å; D146-F377 HydrophobicContact CB-CZ 4.44Å
147	I	95.1	Very high	96.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.015	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-30.8	178.9	-158.4	171.6	0	0	0	112.6	L90 N91 L92 E145 Y151 P375 F377	L90-I147 VanDerWaalsContact O-CD1 3.31Å; L90-I147 WeakPolarHBondContact O-CD1 3.37Å; N91-I147 HydrophobicContact CB-CD1 4.39Å; L92-I147 HydrophobicContact CD1-CG2 4.2Å; E145-I147 HydrophobicContact CB-CG2 3.96Å; E145-I147 PolarHBondContact O-N 3.3Å; I147-Y151 HydrophobicContact CD1-CE2 4.03Å; I147-Y151 HydrophobicContact CG1-CD2 4.13Å; I147-Y151 HydrophobicContact CG1-CE2 3.6Å; I147-Y151 WeakPolarHBondContact O-CD2 3.25Å; I147-Y151 PolarHBondContact O-N 2.81Å; I147-Y151 VanDerWaalsContact O-N 3.12Å; I147-P375 HydrophobicContact CB-CG 3.94Å; I147-P375 HydrophobicContact CD1-CG 4.39Å; I147-P375 HydrophobicContact CG2-CG 3.78Å; I147-F377 HydrophobicContact CB-CD1 3.8Å; I147-F377 HydrophobicContact CB-CE1 3.58Å; I147-F377 HydrophobicContact CB-CZ 4.26Å; I147-F377 HydrophobicContact CD1-CB 4.26Å; I147-F377 HydrophobicContact CD1-CD1 3.84Å; I147-F377 HydrophobicContact CD1-CE1 4.5Å; I147-F377 HydrophobicContact CD1-CG 4.13Å; I147-F377 HydrophobicContact CG1-CD1 3.68Å; I147-F377 HydrophobicContact CG1-CE1 3.87Å; I147-F377 HydrophobicContact CG1-CG 4.06Å; I147-F377 HydrophobicContact CG1-CZ 4.4Å
148	T	96.8	Very high	96	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-68.4	-39.5	173.2	-44.6	0	0	0	0	110.8	L92 E94 Y97 F98 L143 E145 D146 L152	L92-T148 HydrophobicContact CD1-CG2 4.39Å; E94-T148 HydrophobicContact CB-CG2 3.78Å; E94-T148 HydrophobicContact CG-CG2 4.49Å; E94-T148 VanDerWaalsContact OE2-CB 3.27Å; E94-T148 WeakPolarHBondContact OE2-CB 3.42Å; E94-T148 PolarHBondContact OE2-OG1 3.15Å; Y97-T148 HydrophobicContact CD2-CG2 4.42Å; F98-T148 HydrophobicContact CE2-CG2 3.94Å; F98-T148 HydrophobicContact CZ-CG2 4.25Å; L143-T148 HydrophobicContact CD1-CG2 3.91Å; L143-T148 HydrophobicContact CD2-CG2 3.93Å; L143-T148 HydrophobicContact CG-CG2 4.34Å; E145-T148 WeakPolarHBondContact O-CA 3.45Å; E145-T148 VanDerWaalsContact O-CB 3.24Å; E145-T148 WeakPolarHBondContact O-CB 3.22Å; E145-T148 PolarHBondContact O-N 2.88Å; E145-T148 PolarHBondContact O-OG1 3.26Å; D146-T148 VanDerWaalsContact C-N 3.26Å; D146-T148 PolarHBondContact O-N 2.84Å; T148-L152 PolarHBondContact O-N 3.05Å; T148-L152 VanDerWaalsContact O-N 3.14Å
149	R	96.7	Very high	96.1	Very high	24 Å²	24	23.8 Å²	23.8	9%	0.091	13%	0.125	C	C	.	.	H	α-helix	trans	-70.2	-42.2	178.1	-61.4	-166.9	-60.1	-84.8	-1.7	111.2	L143 I144 E145 D146 L152 C153 L234	L143-R149 HydrophobicContact CB-CG 3.8Å; L143-R149 HydrophobicContact CD1-CG 3.94Å; L143-R149 PolarHBondContact O-NH1 2.83Å; I144-R149 PolarHBondContact O-NH1 3.31Å; E145-R149 PolarHBondContact O-N 2.9Å; D146-R149 CarbonylContact O-C 3.58Å; D146-R149 WeakPolarHBondContact O-CA 3.35Å; D146-R149 WeakPolarHBondContact O-CB 3.37Å; D146-R149 PolarHBondContact O-N 2.91Å; D146-R149 IonicContact OD1-CZ 2.72Å; D146-R149 IonicContact OD1-NH1 3.54Å; D146-R149 IonicContact OD1-NH2 3.71Å; D146-R149 PolarHBondContact OD1-NH2 3.32Å; D146-R149 IonicContact OD2-NH2 3.59Å; D146-R149 PolarHBondContact OD2-NH2 3.27Å; R149-L152 WeakPolarHBondContact O-CB 2.98Å; R149-L152 PolarHBondContact O-N 3.12Å; R149-C153 PolarHBondContact O-N 2.89Å; R149-C153 PolarHBondContact O-SG 3.19Å; R149-L234 HydrophobicContact CB-CD1 3.74Å; R149-L234 HydrophobicContact CG-CD1 4.2Å
150	Y	96.1	Very high	96.2	Very high	15 Å²	15	21.3 Å²	21.3	6%	0.059	11%	0.112	C	C	.	.	H	α-helix	trans	-56.7	-51.2	172.2	174.9	-118.3	0	0	0	112.7	D146 L152 C153 L154 E230 F377 D378 R379 S380	D146-Y150 PolarHBondContact O-N 2.79Å; Y150-L152 VanDerWaalsContact C-N 3.26Å; Y150-L152 PolarHBondContact O-N 2.8Å; Y150-C153 WeakPolarHBondContact O-CB 3.41Å; Y150-C153 PolarHBondContact O-N 2.76Å; Y150-L154 HydrophobicContact CD1-CD1 4.08Å; Y150-L154 HydrophobicContact CD2-CG 4.45Å; Y150-L154 HydrophobicContact CE1-CD1 3.61Å; Y150-L154 HydrophobicContact CE1-CG 4.46Å; Y150-L154 HydrophobicContact CE2-CD1 4.12Å; Y150-L154 HydrophobicContact CE2-CD2 4.3Å; Y150-L154 HydrophobicContact CE2-CG 4.13Å; Y150-L154 PolarHBondContact O-N 3.44Å; Y150-E230 VanDerWaalsContact CD2-OE1 3.24Å; Y150-E230 WeakPolarHBondContact CD2-OE1 3.14Å; Y150-F377 AromaticContact CD1-CD2 3.71Å; Y150-F377 HydrophobicContact CD1-CD2 3.71Å; Y150-F377 AromaticContact CD1-CE2 3.4Å; Y150-F377 HydrophobicContact CD1-CE2 3.4Å; Y150-F377 HydrophobicContact CD1-CZ 4.26Å; Y150-F377 AromaticContact CD2-CE2 3.99Å; Y150-F377 HydrophobicContact CD2-CE2 3.99Å; Y150-F377 AromaticContact CE1-CD2 3.88Å; Y150-F377 HydrophobicContact CE1-CD2 3.88Å; Y150-F377 AromaticContact CE1-CE2 3.94Å; Y150-F377 HydrophobicContact CE1-CE2 3.94Å; Y150-F377 HydrophobicContact CE2-CE2 4.48Å; Y150-F377 HydrophobicContact CG-CD2 4.19Å; Y150-F377 AromaticContact CG-CE2 3.41Å; Y150-F377 HydrophobicContact CG-CE2 3.41Å; Y150-F377 VanDerWaalsContact CG-CE2 3.41Å; Y150-F377 HydrophobicContact CG-CZ 4.07Å; Y150-D378 PolarHBondContact OH-O 2.85Å; Y150-R379 HydrophobicContact CD2-CG 4.31Å; Y150-R379 HydrophobicContact CE2-CB 4.36Å; Y150-R379 HydrophobicContact CE2-CG 4.08Å; Y150-S380 PolarHBondContact OH-N 2.96Å
151	Y	97.2	Very high	96.2	Very high	24 Å²	24	24.4 Å²	24.4	9%	0.094	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-29.9	176.9	-71.4	-51.3	0	0	0	113.1	L64 L90 L92 I147 L154 Q155	L64-Y151 HydrophobicContact CB-CD1 4.29Å; L64-Y151 HydrophobicContact CD1-CD1 4.31Å; L64-Y151 HydrophobicContact CD1-CG 4.46Å; L90-Y151 HydrophobicContact CB-CE2 4.02Å; L90-Y151 HydrophobicContact CD1-CE2 4.48Å; L90-Y151 HydrophobicContact CD2-CE1 4.38Å; L90-Y151 WeakPolarHBondContact CD2-OH 3.2Å; L92-Y151 HydrophobicContact CD1-CD2 4.44Å; L92-Y151 HydrophobicContact CD2-CD2 4.46Å; I147-Y151 HydrophobicContact CD1-CE2 4.03Å; I147-Y151 HydrophobicContact CG1-CD2 4.13Å; I147-Y151 HydrophobicContact CG1-CE2 3.6Å; I147-Y151 WeakPolarHBondContact O-CD2 3.25Å; I147-Y151 PolarHBondContact O-N 2.81Å; I147-Y151 VanDerWaalsContact O-N 3.12Å; Y151-L154 HydrophobicContact CD1-CD1 4.01Å; Y151-L154 HydrophobicContact CE1-CD1 4.43Å; Y151-Q155 PolarHBondContact O-N 3Å
152	L	98.2	Very high	96.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-68.5	-39.8	171.8	-176	59.9	0	0	0	111.6	V133 Y136 P137 P140 L143 T148 R149 Y150 Q155 L156 L234	V133-L152 HydrophobicContact CG1-CD1 4.16Å; V133-L152 HydrophobicContact CG2-CD1 4Å; Y136-L152 HydrophobicContact CD1-CD1 3.85Å; Y136-L152 HydrophobicContact CE1-CD1 4.21Å; P137-L152 HydrophobicContact CG-CD2 4.3Å; P140-L152 HydrophobicContact CB-CD2 4.14Å; P140-L152 HydrophobicContact CG-CD2 4.24Å; L143-L152 HydrophobicContact CD1-CD2 3.93Å; T148-L152 PolarHBondContact O-N 3.05Å; T148-L152 VanDerWaalsContact O-N 3.14Å; R149-L152 WeakPolarHBondContact O-CB 2.98Å; R149-L152 PolarHBondContact O-N 3.12Å; Y150-L152 VanDerWaalsContact C-N 3.26Å; Y150-L152 PolarHBondContact O-N 2.8Å; L152-Q155 PolarHBondContact O-N 3.41Å; L152-L156 HydrophobicContact CD1-CD1 4.2Å; L152-L156 HydrophobicContact CD1-CG 4.43Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 WeakPolarHBondContact O-CD1 3.47Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.47Å; L152-L234 HydrophobicContact CB-CD2 4.18Å; L152-L234 HydrophobicContact CD2-CD1 4.41Å; L152-L234 HydrophobicContact CD2-CD2 3.7Å; L152-L234 HydrophobicContact CG-CD2 3.65Å
153	C	97.9	Very high	96.3	Very high	10 Å²	10	25.3 Å²	25.3	7%	0.068	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-46.3	173.2	-62	0	0	0	0	111.8	R149 Y150 Q155 L156 R157 F233 L234	R149-C153 PolarHBondContact O-N 2.89Å; R149-C153 PolarHBondContact O-SG 3.19Å; Y150-C153 WeakPolarHBondContact O-CB 3.41Å; Y150-C153 PolarHBondContact O-N 2.76Å; C153-Q155 PolarHBondContact O-N 3.38Å; C153-L156 PolarHBondContact O-N 3.36Å; C153-R157 WeakPolarHBondContact O-CG 3.49Å; C153-R157 PolarHBondContact O-N 3.43Å; C153-F233 HydrophobicContact CB-CD1 4.26Å; C153-F233 HydrophobicContact CB-CE1 4.35Å; C153-L234 VanDerWaalsContact SG-CG 3.57Å
154	L	96.9	Very high	96.3	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-44.4	176.7	-71.7	177.1	0	0	0	112.2	L64 D65 Y150 Y151 R157 D158 V381	L64-L154 HydrophobicContact CB-CB 4.05Å; L64-L154 HydrophobicContact CB-CD1 4.34Å; D65-L154 HydrophobicContact CB-CD1 4.21Å; Y150-L154 HydrophobicContact CD1-CD1 4.08Å; Y150-L154 HydrophobicContact CD2-CG 4.45Å; Y150-L154 HydrophobicContact CE1-CD1 3.61Å; Y150-L154 HydrophobicContact CE1-CG 4.46Å; Y150-L154 HydrophobicContact CE2-CD1 4.12Å; Y150-L154 HydrophobicContact CE2-CD2 4.3Å; Y150-L154 HydrophobicContact CE2-CG 4.13Å; Y150-L154 PolarHBondContact O-N 3.44Å; Y151-L154 HydrophobicContact CD1-CD1 4.01Å; Y151-L154 HydrophobicContact CE1-CD1 4.43Å; L154-R157 PolarHBondContact O-N 2.88Å; L154-D158 PolarHBondContact O-N 3.44Å; L154-V381 HydrophobicContact CD2-CG1 3.77Å
155	Q	98.1	Very high	96.4	Very high	3 Å²	3	25 Å²	25	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-46.9	173.6	179.7	65.7	85.6	0	0	111.3	L64 V133 Y136 Y151 L152 C153 R157 D158 D159	L64-Q155 HydrophobicContact CD2-CB 3.92Å; L64-Q155 HydrophobicContact CD2-CG 4.46Å; V133-Q155 HydrophobicContact CB-CB 4.38Å; V133-Q155 HydrophobicContact CB-CG 3.9Å; V133-Q155 HydrophobicContact CG2-CB 3.64Å; V133-Q155 HydrophobicContact CG2-CG 3.72Å; V133-Q155 VanDerWaalsContact N-OE1 3.15Å; Y136-Q155 HydrophobicContact CE1-CG 4.01Å; Y136-Q155 WeakPolarHBondContact OH-CG 3.36Å; Y151-Q155 PolarHBondContact O-N 3Å; L152-Q155 PolarHBondContact O-N 3.41Å; C153-Q155 PolarHBondContact O-N 3.38Å; Q155-R157 VanDerWaalsContact C-N 3.27Å; Q155-R157 PolarHBondContact O-N 2.93Å; Q155-D158 PolarHBondContact NE2-OD2 3.11Å; Q155-D158 CarbonylContact O-C 3.59Å; Q155-D158 WeakPolarHBondContact O-CA 3.38Å; Q155-D158 WeakPolarHBondContact O-CB 3.37Å; Q155-D158 PolarHBondContact O-N 2.87Å; Q155-D159 WeakPolarHBondContact CG-OD1 3.42Å; Q155-D159 PolarHBondContact NE2-OD1 2.95Å; Q155-D159 PolarHBondContact O-N 2.94Å
156	L	98.4	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-30.2	-178.3	-70.1	163.3	0	0	0	113	Y136 L152 C153 D159 I160 L165 F233 L234 A237 Y243	Y136-L156 HydrophobicContact CD1-CD2 4.25Å; Y136-L156 HydrophobicContact CE1-CD2 4.07Å; L152-L156 HydrophobicContact CD1-CD1 4.2Å; L152-L156 HydrophobicContact CD1-CG 4.43Å; L152-L156 HydrophobicContact CG-CD1 3.95Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 WeakPolarHBondContact O-CD1 3.47Å; L152-L156 WeakPolarHBondContact O-CG 3.47Å; L152-L156 PolarHBondContact O-N 3.47Å; C153-L156 PolarHBondContact O-N 3.36Å; L156-D159 PolarHBondContact O-N 3.04Å; L156-I160 WeakPolarHBondContact O-CD1 3.24Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.34Å; L156-I160 PolarHBondContact O-N 3.05Å; L156-L165 HydrophobicContact CD2-CD2 3.63Å; L156-F233 HydrophobicContact CB-CE1 3.8Å; L156-F233 HydrophobicContact CB-CZ 4.22Å; L156-F233 HydrophobicContact CD1-CE1 4.13Å; L156-L234 HydrophobicContact CD1-CD2 3.49Å; L156-L234 VanDerWaalsContact CD1-CD2 3.49Å; L156-A237 HydrophobicContact CD1-CB 4.07Å; L156-Y243 HydrophobicContact CD1-CE2 3.94Å; L156-Y243 HydrophobicContact CD2-CD2 3.72Å; L156-Y243 HydrophobicContact CD2-CE2 3.74Å; L156-Y243 HydrophobicContact CG-CE2 4.47Å
157	R	97.3	Very high	96.6	Very high	38 Å²	38	27.4 Å²	27.4	14%	0.143	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-45	169.1	-70.7	164.7	65.7	177.2	8.8	111.5	C153 L154 Q155 D159 I160 L161 T179 E183 F233	C153-R157 WeakPolarHBondContact O-CG 3.49Å; C153-R157 PolarHBondContact O-N 3.43Å; L154-R157 PolarHBondContact O-N 2.88Å; Q155-R157 VanDerWaalsContact C-N 3.27Å; Q155-R157 PolarHBondContact O-N 2.93Å; R157-D159 VanDerWaalsContact C-N 3.35Å; R157-D159 PolarHBondContact O-N 3.45Å; R157-I160 PolarHBondContact O-N 3.07Å; R157-L161 WeakPolarHBondContact O-CB 3.39Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.47Å; R157-L161 PolarHBondContact O-N 3.37Å; R157-T179 VanDerWaalsContact NH2-CG2 3.35Å; R157-E183 IonicContact CZ-OE1 2.76Å; R157-E183 IonicContact NH1-OE1 3.13Å; R157-E183 PolarHBondContact NH1-OE1 3.08Å; R157-E183 IonicContact NH2-OE1 3.9Å; R157-E183 PolarHBondContact NH2-OE1 3.42Å; R157-F233 HydrophobicContact CG-CE2 4.15Å; R157-F233 HydrophobicContact CG-CZ 3.94Å
158	D	96	Very high	96.6	Very high	72 Å²	72	30.2 Å²	30.2	39%	0.385	17%	0.174	S	C	.	.	H	α-helix	trans	-60.8	-39.5	171.1	170.2	67.5	0	0	0	112.1	L154 Q155 S162 R164	L154-D158 PolarHBondContact O-N 3.44Å; Q155-D158 PolarHBondContact NE2-OD2 3.11Å; Q155-D158 CarbonylContact O-C 3.59Å; Q155-D158 WeakPolarHBondContact O-CA 3.38Å; Q155-D158 WeakPolarHBondContact O-CB 3.37Å; Q155-D158 PolarHBondContact O-N 2.87Å; D158-S162 WeakPolarHBondContact O-CB 3.36Å; D158-S162 PolarHBondContact O-N 2.82Å; D158-S162 PolarHBondContact O-OG 3.06Å; D158-R164 IonicContact OD1-NH2 2.78Å; D158-R164 IonicContact OD2-CZ 2.74Å; D158-R164 IonicContact OD2-NH1 3.31Å; D158-R164 IonicContact OD2-NH2 3.52Å; D158-R164 PolarHBondContact OD2-NH2 2.89Å
159	D	97.8	Very high	96.7	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-64.5	-39.9	175.4	-73.7	58.2	0	0	0	112.8	Q155 L156 R157 S162 G163 R164 L165	Q155-D159 WeakPolarHBondContact CG-OD1 3.42Å; Q155-D159 PolarHBondContact NE2-OD1 2.95Å; Q155-D159 PolarHBondContact O-N 2.94Å; L156-D159 PolarHBondContact O-N 3.04Å; R157-D159 VanDerWaalsContact C-N 3.35Å; R157-D159 PolarHBondContact O-N 3.45Å; D159-S162 PolarHBondContact O-OG 3.17Å; D159-G163 PolarHBondContact O-N 2.74Å; D159-R164 HydrophobicContact CB-CG 4.29Å; D159-R164 WeakPolarHBondContact O-CA 3.17Å; D159-R164 WeakPolarHBondContact O-CB 3.43Å; D159-R164 PolarHBondContact O-N 2.78Å; D159-R164 IonicContact OD1-CZ 2.76Å; D159-R164 VanDerWaalsContact OD1-CZ 3.24Å; D159-R164 IonicContact OD1-NH1 2.66Å; D159-R164 PolarHBondContact OD1-NH1 2.87Å; D159-R164 IonicContact OD1-NH2 3.81Å; D159-R164 WeakPolarHBondContact OD2-CD 3.23Å; D159-R164 WeakPolarHBondContact OD2-CG 3.34Å; D159-R164 IonicContact OD2-CZ 2.83Å; D159-R164 VanDerWaalsContact OD2-CZ 3.25Å; D159-R164 IonicContact OD2-NE 3.59Å; D159-R164 PolarHBondContact OD2-NE 3.32Å; D159-R164 IonicContact OD2-NH1 3.62Å; D159-R164 PolarHBondContact OD2-NH1 3.48Å; D159-L165 HydrophobicContact CB-CB 3.75Å; D159-L165 HydrophobicContact CB-CD2 4.33Å; D159-L165 PolarHBondContact O-N 3.21Å
160	I	97.7	Very high	96.7	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-68.5	-52.1	176.1	-69	163.7	0	0	0	110.5	L156 R157 S162 G163 L165 L175 F202 P204 F233	L156-I160 WeakPolarHBondContact O-CD1 3.24Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.34Å; L156-I160 PolarHBondContact O-N 3.05Å; R157-I160 PolarHBondContact O-N 3.07Å; I160-S162 VanDerWaalsContact C-N 3.29Å; I160-S162 PolarHBondContact O-N 2.82Å; I160-G163 PolarHBondContact O-N 2.76Å; I160-L165 HydrophobicContact CG1-CB 4.15Å; I160-L165 HydrophobicContact CG1-CD2 4.06Å; I160-L165 HydrophobicContact CG1-CG 4.09Å; I160-L175 HydrophobicContact CD1-CD1 3.67Å; I160-F202 WeakPolarHBondContact CG2-O 3.47Å; I160-P204 WeakPolarHBondContact O-CG 3.17Å; I160-F233 HydrophobicContact CD1-CZ 4.39Å
161	L	95.9	Very high	96.8	Very high	65 Å²	65	38 Å²	38	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-29.3	-178.2	-68.3	174.6	0	0	0	113.1	R157 G163 H201	R157-L161 WeakPolarHBondContact O-CB 3.39Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.47Å; R157-L161 PolarHBondContact O-N 3.37Å; L161-G163 VanDerWaalsContact C-N 3.26Å; L161-G163 PolarHBondContact O-N 2.83Å; L161-H201 HydrophobicContact CD1-CB 4.18Å; L161-H201 HydrophobicContact CD2-CB 4.07Å
162	S	94.8	Very high	96.9	Very high	64 Å²	64	38.1 Å²	38.1	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3.5	171.5	60.5	0	0	0	0	114.3	D158 D159 I160 R164	D158-S162 WeakPolarHBondContact O-CB 3.36Å; D158-S162 PolarHBondContact O-N 2.82Å; D158-S162 PolarHBondContact O-OG 3.06Å; D159-S162 PolarHBondContact O-OG 3.17Å; I160-S162 VanDerWaalsContact C-N 3.29Å; I160-S162 PolarHBondContact O-N 2.82Å; S162-R164 PolarHBondContact O-N 2.67Å; S162-R164 VanDerWaalsContact O-N 3.17Å; S162-R164 PolarHBondContact OG-NE 3.48Å; S162-R164 PolarHBondContact OG-NH2 3.02Å
163	G	93.8	Very high	96.9	Very high	45 Å²	45	38.2 Å²	38.2	46%	0.464	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	7.6	-179.7	0	0	0	0	0	114.9	D159 I160 L161	D159-G163 PolarHBondContact O-N 2.74Å; I160-G163 PolarHBondContact O-N 2.76Å; L161-G163 VanDerWaalsContact C-N 3.26Å; L161-G163 PolarHBondContact O-N 2.83Å
164	R	95.1	Very high	96.9	Very high	85 Å²	85	39.7 Å²	39.7	32%	0.321	23%	0.229	S	C	.	.	S	Bend	trans	-77.3	-27.6	-179.8	157.5	171.2	36.7	129.8	0.8	112.3	D158 D159 S162 P166	D158-R164 IonicContact OD1-NH2 2.78Å; D158-R164 IonicContact OD2-CZ 2.74Å; D158-R164 IonicContact OD2-NH1 3.31Å; D158-R164 IonicContact OD2-NH2 3.52Å; D158-R164 PolarHBondContact OD2-NH2 2.89Å; D159-R164 HydrophobicContact CB-CG 4.29Å; D159-R164 WeakPolarHBondContact O-CA 3.17Å; D159-R164 WeakPolarHBondContact O-CB 3.43Å; D159-R164 PolarHBondContact O-N 2.78Å; D159-R164 IonicContact OD1-CZ 2.76Å; D159-R164 VanDerWaalsContact OD1-CZ 3.24Å; D159-R164 IonicContact OD1-NH1 2.66Å; D159-R164 PolarHBondContact OD1-NH1 2.87Å; D159-R164 IonicContact OD1-NH2 3.81Å; D159-R164 WeakPolarHBondContact OD2-CD 3.23Å; D159-R164 WeakPolarHBondContact OD2-CG 3.34Å; D159-R164 IonicContact OD2-CZ 2.83Å; D159-R164 VanDerWaalsContact OD2-CZ 3.25Å; D159-R164 IonicContact OD2-NE 3.59Å; D159-R164 PolarHBondContact OD2-NE 3.32Å; D159-R164 IonicContact OD2-NH1 3.62Å; D159-R164 PolarHBondContact OD2-NH1 3.48Å; S162-R164 PolarHBondContact O-N 2.67Å; S162-R164 VanDerWaalsContact O-N 3.17Å; S162-R164 PolarHBondContact OG-NE 3.48Å; S162-R164 PolarHBondContact OG-NH2 3.02Å; R164-P166 WeakPolarHBondContact O-CD 3.41Å
165	L	97.1	Very high	97	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	-117.5	87.5	172.4	-178.6	55.4	0	0	0	109.5	L156 D159 I160 C167 L240 M242	L156-L165 HydrophobicContact CD2-CD2 3.63Å; D159-L165 HydrophobicContact CB-CB 3.75Å; D159-L165 HydrophobicContact CB-CD2 4.33Å; D159-L165 PolarHBondContact O-N 3.21Å; I160-L165 HydrophobicContact CG1-CB 4.15Å; I160-L165 HydrophobicContact CG1-CD2 4.06Å; I160-L165 HydrophobicContact CG1-CG 4.09Å; L165-C167 PolarHBondContact O-N 3.27Å; L165-L240 HydrophobicContact CD1-CB 3.63Å; L165-L240 HydrophobicContact CD1-CD1 3.79Å; L165-L240 HydrophobicContact CD1-CG 4.35Å; L165-L240 HydrophobicContact CD2-CD1 4.05Å; L165-L240 HydrophobicContact CG-CD1 3.8Å; L165-M242 HydrophobicContact CD1-CB 3.89Å
166	P	95.2	Very high	97	Very high	77 Å²	77	39.7 Å²	39.7	50%	0.5	23%	0.229	S	C	.	.			trans	-66	131.7	-177.6	-21.3	34.3	0	0	0	112.1	R164 M242	R164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-M242 HydrophobicContact CG-CG 4.38Å
167	C	96.2	Very high	97	Very high	23 Å²	23	39.7 Å²	39.7	16%	0.155	23%	0.229	C	C	.	.			trans	-118.9	151.8	178.2	-77.2	0	0	0	0	110.9	L165 T171 H172 L240	L165-C167 PolarHBondContact O-N 3.27Å; C167-T171 HydrophobicContact CB-CG2 4.24Å; C167-H172 VanDerWaalsContact CB-CE1 3.47Å; C167-H172 WeakPolarHBondContact CB-CE1 3.34Å; C167-H172 PolarHBondContact O-CE1 2.87Å; C167-L240 WeakPolarHBondContact SG-CD1 3.28Å
168	S	96.3	Very high	97	Very high	62 Å²	62	39.2 Å²	39.2	43%	0.434	23%	0.228	S	C	.	.			trans	-72.8	165.7	165.9	80	0	0	0	0	110.6	V170 T171 H172	S168-V170 VanDerWaalsContact C-N 3.35Å; S168-V170 PolarHBondContact O-N 3.38Å; S168-V170 PolarHBondContact OG-N 2.97Å; S168-T171 PolarHBondContact O-N 2.84Å; S168-T171 VanDerWaalsContact O-N 3.14Å; S168-T171 PolarHBondContact OG-N 3.39Å; S168-T171 PolarHBondContact OG-OG1 2.89Å; S168-H172 PolarHBondContact O-N 3.03Å; S168-H172 PolarHBondContact O-ND1 3.31Å
169	F	97.6	Very high	97.1	Very high	82 Å²	82	36.2 Å²	36.2	36%	0.36	21%	0.212	S	C	.	.	H	α-helix	trans	-54.1	-49.6	173	175.2	-94.5	0	0	0	112	T171 H172 A173 E209 L210 R213	F169-T171 VanDerWaalsContact C-N 3.27Å; F169-T171 PolarHBondContact O-N 2.86Å; F169-H172 PolarHBondContact O-N 2.92Å; F169-H172 VanDerWaalsContact O-N 3.16Å; F169-A173 PolarHBondContact O-N 3.28Å; F169-E209 HydrophobicContact CZ-CB 4.31Å; F169-E209 HydrophobicContact CZ-CG 3.96Å; F169-L210 HydrophobicContact CD2-CB 4.5Å; F169-L210 HydrophobicContact CD2-CD1 4.31Å; F169-L210 HydrophobicContact CE2-CB 3.75Å; F169-L210 HydrophobicContact CE2-CD1 4.1Å; F169-L210 HydrophobicContact CZ-CB 4.36Å; F169-L210 HydrophobicContact CZ-CD1 4.48Å; F169-R213 HydrophobicContact CE1-CG 4.01Å; F169-R213 HydrophobicContact CZ-CG 4.05Å
170	V	97.4	Very high	97.1	Very high	89 Å²	89	35.8 Å²	35.8	54%	0.539	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-36.7	177.4	-178	0	0	0	0	111.5	S168 A173 L174	S168-V170 VanDerWaalsContact C-N 3.35Å; S168-V170 PolarHBondContact O-N 3.38Å; S168-V170 PolarHBondContact OG-N 2.97Å; V170-A173 PolarHBondContact O-N 2.79Å; V170-L174 WeakPolarHBondContact O-CB 3.42Å; V170-L174 PolarHBondContact O-N 3.41Å
171	T	98.2	Very high	97	Very high	33 Å²	33	35.4 Å²	35.4	20%	0.202	21%	0.208	C	C	.	.	H	α-helix	trans	-71	-37.7	177.1	-44.1	0	0	0	0	112.4	C167 S168 F169 A173 L174 L175 L240	C167-T171 HydrophobicContact CB-CG2 4.24Å; S168-T171 PolarHBondContact O-N 2.84Å; S168-T171 VanDerWaalsContact O-N 3.14Å; S168-T171 PolarHBondContact OG-N 3.39Å; S168-T171 PolarHBondContact OG-OG1 2.89Å; F169-T171 VanDerWaalsContact C-N 3.27Å; F169-T171 PolarHBondContact O-N 2.86Å; T171-A173 VanDerWaalsContact C-N 3.32Å; T171-L174 PolarHBondContact O-N 3.17Å; T171-L175 HydrophobicContact CG2-CD1 3.9Å; T171-L175 HydrophobicContact CG2-CG 4.17Å; T171-L175 WeakPolarHBondContact O-CB 3.39Å; T171-L175 VanDerWaalsContact O-CG 3.31Å; T171-L175 WeakPolarHBondContact O-CG 3.41Å; T171-L175 PolarHBondContact O-N 3.32Å; T171-L240 HydrophobicContact CG2-CD2 4.25Å
172	H	98.4	Very high	97	Very high	26 Å²	26	32.9 Å²	32.9	12%	0.12	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-41	171.7	-67.9	108.2	0	0	0	111	C167 S168 F169 G176 F202 A203 L210	C167-H172 VanDerWaalsContact CB-CE1 3.47Å; C167-H172 WeakPolarHBondContact CB-CE1 3.34Å; C167-H172 PolarHBondContact O-CE1 2.87Å; S168-H172 PolarHBondContact O-N 3.03Å; S168-H172 PolarHBondContact O-ND1 3.31Å; F169-H172 PolarHBondContact O-N 2.92Å; F169-H172 VanDerWaalsContact O-N 3.16Å; H172-G176 WeakPolarHBondContact O-CA 3.18Å; H172-G176 PolarHBondContact O-N 2.91Å; H172-F202 PolarHBondContact CD2-O 2.91Å; H172-A203 HydrophobicContact CB-CB 4.32Å; H172-A203 VanDerWaalsContact CD2-CB 3.41Å; H172-A203 WeakPolarHBondContact CD2-CB 3.48Å; H172-L210 HydrophobicContact CB-CD1 3.81Å; H172-L210 HydrophobicContact CB-CD2 4.04Å
173	A	98.4	Very high	96.9	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-47.1	177.7	0	0	0	0	0	111.7	F169 V170 T171 G176 S177 L210 R213 L217	F169-A173 PolarHBondContact O-N 3.28Å; V170-A173 PolarHBondContact O-N 2.79Å; T171-A173 VanDerWaalsContact C-N 3.32Å; A173-G176 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-N 2.91Å; A173-S177 PolarHBondContact O-OG 2.79Å; A173-L210 HydrophobicContact CB-CD1 3.84Å; A173-R213 HydrophobicContact CB-CB 3.94Å; A173-L217 HydrophobicContact CB-CD1 4.17Å
174	L	98.7	Very high	96.9	Very high	42 Å²	42	33 Å²	33	22%	0.22	18%	0.18	C	C	.	.	H	α-helix	trans	-67.4	-41.4	-179.8	-177.8	62.9	0	0	0	113.4	V170 T171 G176 S177 Y178 Y221	V170-L174 WeakPolarHBondContact O-CB 3.42Å; V170-L174 PolarHBondContact O-N 3.41Å; T171-L174 PolarHBondContact O-N 3.17Å; L174-G176 VanDerWaalsContact C-N 3.32Å; L174-S177 PolarHBondContact O-OG 2.91Å; L174-Y178 HydrophobicContact CD1-CD2 4.32Å; L174-Y178 HydrophobicContact CD1-CE2 3.52Å; L174-Y178 HydrophobicContact CD2-CE2 4.48Å; L174-Y178 HydrophobicContact CG-CD2 4.32Å; L174-Y178 HydrophobicContact CG-CE2 3.73Å; L174-Y178 WeakPolarHBondContact O-CD2 3.34Å; L174-Y178 PolarHBondContact O-N 2.66Å; L174-Y221 WeakPolarHBondContact CD1-OH 3.37Å
175	L	98.6	Very high	96.9	Very high	5 Å²	5	30 Å²	30	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-73.6	-28.6	175.6	-65.5	-178.9	0	0	0	111.5	I160 T171 T179 F233 N236 A237 L240	I160-L175 HydrophobicContact CD1-CD1 3.67Å; T171-L175 HydrophobicContact CG2-CD1 3.9Å; T171-L175 HydrophobicContact CG2-CG 4.17Å; T171-L175 WeakPolarHBondContact O-CB 3.39Å; T171-L175 VanDerWaalsContact O-CG 3.31Å; T171-L175 WeakPolarHBondContact O-CG 3.41Å; T171-L175 PolarHBondContact O-N 3.32Å; L175-T179 WeakPolarHBondContact O-CB 3.31Å; L175-T179 PolarHBondContact O-N 3.48Å; L175-T179 PolarHBondContact O-OG1 2.9Å; L175-F233 HydrophobicContact CB-CD2 3.95Å; L175-F233 HydrophobicContact CB-CE2 3.71Å; L175-F233 HydrophobicContact CB-CZ 4.46Å; L175-F233 HydrophobicContact CD2-CB 4.42Å; L175-F233 HydrophobicContact CD2-CD1 4.38Å; L175-F233 HydrophobicContact CD2-CD2 3.8Å; L175-F233 HydrophobicContact CD2-CE2 4.11Å; L175-F233 HydrophobicContact CD2-CG 3.94Å; L175-F233 HydrophobicContact CD2-CZ 4.49Å; L175-F233 WeakPolarHBondContact CD2-O 3.31Å; L175-F233 HydrophobicContact CG-CD2 4.42Å; L175-F233 HydrophobicContact CG-CE2 4.33Å; L175-F233 WeakPolarHBondContact O-CD2 3.45Å; L175-N236 HydrophobicContact CD2-CB 4.04Å; L175-A237 HydrophobicContact CD1-CB 4.46Å; L175-A237 HydrophobicContact CD2-CB 4.45Å; L175-L240 HydrophobicContact CD1-CD1 4.45Å
176	G	97.9	Very high	96.9	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-67.2	-47.9	171.9	0	0	0	0	0	112.7	H172 A173 L174 Y178 T179 V180	H172-G176 WeakPolarHBondContact O-CA 3.18Å; H172-G176 PolarHBondContact O-N 2.91Å; A173-G176 PolarHBondContact O-N 2.9Å; L174-G176 VanDerWaalsContact C-N 3.32Å; G176-Y178 PolarHBondContact O-N 2.79Å; G176-T179 CarbonylContact O-C 3.59Å; G176-T179 WeakPolarHBondContact O-CA 3.46Å; G176-T179 VanDerWaalsContact O-CB 3.25Å; G176-T179 WeakPolarHBondContact O-CB 3.38Å; G176-T179 PolarHBondContact O-N 3.41Å; G176-V180 WeakPolarHBondContact O-CG2 3.35Å; G176-V180 PolarHBondContact O-N 2.7Å
177	S	98.4	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-38.7	-179.9	58.3	0	0	0	0	113.1	A173 L174 T179 V180 Q181 L217 Y221	A173-S177 PolarHBondContact O-N 2.91Å; A173-S177 PolarHBondContact O-OG 2.79Å; L174-S177 PolarHBondContact O-OG 2.91Å; S177-T179 VanDerWaalsContact C-N 3.31Å; S177-T179 PolarHBondContact O-N 2.99Å; S177-V180 PolarHBondContact O-N 2.68Å; S177-Q181 PolarHBondContact O-N 2.73Å; S177-L217 VanDerWaalsContact CB-CB 3.46Å; S177-Y221 WeakPolarHBondContact OG-CE2 3.42Å; S177-Y221 PolarHBondContact OG-OH 3.07Å
178	Y	98.6	Very high	96.9	Very high	28 Å²	28	34.3 Å²	34.3	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-32.3	170.5	-65.6	-47.3	0	0	0	112.9	L174 G176 A182 Y221 M224 N232 F233	L174-Y178 HydrophobicContact CD1-CD2 4.32Å; L174-Y178 HydrophobicContact CD1-CE2 3.52Å; L174-Y178 HydrophobicContact CD2-CE2 4.48Å; L174-Y178 HydrophobicContact CG-CD2 4.32Å; L174-Y178 HydrophobicContact CG-CE2 3.73Å; L174-Y178 WeakPolarHBondContact O-CD2 3.34Å; L174-Y178 PolarHBondContact O-N 2.66Å; G176-Y178 PolarHBondContact O-N 2.79Å; Y178-A182 VanDerWaalsContact O-CB 3.28Å; Y178-A182 WeakPolarHBondContact O-CB 3.16Å; Y178-A182 PolarHBondContact O-N 3.05Å; Y178-A182 VanDerWaalsContact O-N 3.07Å; Y178-Y221 HydrophobicContact CD1-CD2 4.12Å; Y178-Y221 AromaticContact CD1-CE2 3.54Å; Y178-Y221 HydrophobicContact CD1-CE2 3.54Å; Y178-Y221 HydrophobicContact CE1-CD2 4.31Å; Y178-Y221 HydrophobicContact CE1-CE1 4.17Å; Y178-Y221 AromaticContact CE1-CE2 3.64Å; Y178-Y221 HydrophobicContact CE1-CE2 3.64Å; Y178-Y221 AromaticContact CE1-CZ 3.6Å; Y178-Y221 HydrophobicContact CG-CE2 4.36Å; Y178-M224 HydrophobicContact CD1-SD 4.07Å; Y178-M224 HydrophobicContact CE1-CE 4.17Å; Y178-M224 HydrophobicContact CE1-SD 4.07Å; Y178-N232 HydrophobicContact CD1-CB 3.92Å; Y178-N232 HydrophobicContact CD2-CB 4.16Å; Y178-N232 HydrophobicContact CE1-CB 3.6Å; Y178-N232 HydrophobicContact CE2-CB 3.84Å; Y178-N232 HydrophobicContact CG-CB 4.22Å; Y178-F233 HydrophobicContact CD2-CB 4.43Å
179	T	97.3	Very high	96.8	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-42.5	174.3	-61.2	0	0	0	0	111.2	R157 L175 G176 S177 A182 E183 F200	R157-T179 VanDerWaalsContact NH2-CG2 3.35Å; L175-T179 WeakPolarHBondContact O-CB 3.31Å; L175-T179 PolarHBondContact O-N 3.48Å; L175-T179 PolarHBondContact O-OG1 2.9Å; G176-T179 CarbonylContact O-C 3.59Å; G176-T179 WeakPolarHBondContact O-CA 3.46Å; G176-T179 VanDerWaalsContact O-CB 3.25Å; G176-T179 WeakPolarHBondContact O-CB 3.38Å; G176-T179 PolarHBondContact O-N 3.41Å; S177-T179 VanDerWaalsContact C-N 3.31Å; S177-T179 PolarHBondContact O-N 2.99Å; T179-A182 PolarHBondContact O-N 2.89Å; T179-E183 PolarHBondContact O-N 3.18Å; T179-E183 VanDerWaalsContact O-N 3.17Å; T179-F200 HydrophobicContact CG2-CD1 4.3Å; T179-F200 HydrophobicContact CG2-CE1 4.47Å
180	V	96.6	Very high	96.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-48.8	177.4	179.5	0	0	0	0	110.9	G176 S177 A182 E183 L184 Y196 V197 F200 F202 V214	G176-V180 WeakPolarHBondContact O-CG2 3.35Å; G176-V180 PolarHBondContact O-N 2.7Å; S177-V180 PolarHBondContact O-N 2.68Å; V180-A182 PolarHBondContact O-N 2.9Å; V180-E183 PolarHBondContact O-N 2.89Å; V180-E183 VanDerWaalsContact O-N 3.14Å; V180-L184 HydrophobicContact CG1-CD1 3.71Å; V180-L184 HydrophobicContact CG1-CG 4.16Å; V180-L184 WeakPolarHBondContact O-CB 3.31Å; V180-L184 PolarHBondContact O-N 3.32Å; V180-Y196 HydrophobicContact CG1-CE2 3.82Å; V180-V197 HydrophobicContact CG1-CG1 4.24Å; V180-V197 HydrophobicContact CG2-CG1 3.98Å; V180-F200 HydrophobicContact CG2-CD1 4.38Å; V180-F200 HydrophobicContact CG2-CE1 4.41Å; V180-F200 HydrophobicContact CG2-CG 4.48Å; V180-F202 HydrophobicContact CG2-CE1 3.83Å; V180-F202 HydrophobicContact CG2-CZ 3.58Å; V180-V214 HydrophobicContact CG2-CG1 3.72Å
181	Q	97.3	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-35	175.6	-174.7	73.1	31.2	0	0	112.3	S177 G185 D186 H218 Y221 M224 A229	S177-Q181 PolarHBondContact O-N 2.73Å; Q181-G185 VanDerWaalsContact CD-O 3.27Å; Q181-G185 PolarHBondContact NE2-O 2.93Å; Q181-G185 WeakPolarHBondContact O-CA 3.41Å; Q181-G185 PolarHBondContact O-N 2.71Å; Q181-G185 VanDerWaalsContact O-N 3.11Å; Q181-G185 PolarHBondContact OE1-O 3.1Å; Q181-D186 PolarHBondContact NE2-OD1 3.03Å; Q181-H218 PolarHBondContact OE1-CD2 3.26Å; Q181-H218 PolarHBondContact OE1-NE2 3.07Å; Q181-Y221 HydrophobicContact CB-CD2 4.15Å; Q181-Y221 HydrophobicContact CG-CD2 4.44Å; Q181-Y221 PolarHBondContact NE2-O 3.19Å; Q181-Y221 VanDerWaalsContact OE1-CB 3.25Å; Q181-M224 HydrophobicContact CG-CB 4.2Å; Q181-M224 HydrophobicContact CG-CG 4.48Å; Q181-M224 HydrophobicContact CG-SD 4.48Å; Q181-M224 PolarHBondContact NE2-O 2.98Å; Q181-A229 HydrophobicContact CB-CB 4.1Å; Q181-A229 HydrophobicContact CG-CB 4.02Å
182	A	95.3	Very high	96.1	Very high	12 Å²	12	43.5 Å²	43.5	10%	0.099	23%	0.225	C	C	.	.	H	α-helix	trans	-76.1	-25	-180	0	0	0	0	0	114.5	Y178 T179 V180 P226 A229 E230 R379	Y178-A182 VanDerWaalsContact O-CB 3.28Å; Y178-A182 WeakPolarHBondContact O-CB 3.16Å; Y178-A182 PolarHBondContact O-N 3.05Å; Y178-A182 VanDerWaalsContact O-N 3.07Å; T179-A182 PolarHBondContact O-N 2.89Å; V180-A182 PolarHBondContact O-N 2.9Å; A182-P226 HydrophobicContact CB-CB 4.32Å; A182-A229 HydrophobicContact CB-CB 4.12Å; A182-E230 HydrophobicContact CB-CG 4.45Å; A182-R379 WeakPolarHBondContact O-CB 3.39Å; A182-R379 WeakPolarHBondContact O-CD 3.36Å
183	E	93.5	Very high	95.8	Very high	36 Å²	36	43.9 Å²	43.9	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-103.2	-27.8	-179.7	-68.8	-169.5	-113.7	0	0	113.8	R157 T179 V180 F200 S380 V381	R157-E183 IonicContact CZ-OE1 2.76Å; R157-E183 IonicContact NH1-OE1 3.13Å; R157-E183 PolarHBondContact NH1-OE1 3.08Å; R157-E183 IonicContact NH2-OE1 3.9Å; R157-E183 PolarHBondContact NH2-OE1 3.42Å; T179-E183 PolarHBondContact O-N 3.18Å; T179-E183 VanDerWaalsContact O-N 3.17Å; V180-E183 PolarHBondContact O-N 2.89Å; V180-E183 VanDerWaalsContact O-N 3.14Å; E183-F200 HydrophobicContact CB-CE1 4.09Å; E183-F200 HydrophobicContact CB-CZ 4.25Å; E183-F200 HydrophobicContact CG-CE1 4.48Å; E183-S380 WeakPolarHBondContact OE2-CA 3.29Å; E183-V381 VanDerWaalsContact OE2-CG2 3.22Å; E183-V381 WeakPolarHBondContact OE2-CG2 3.39Å; E183-V381 PolarHBondContact OE2-N 2.86Å
184	L	93.6	Very high	95.3	Very high	77 Å²	77	48.9 Å²	48.9	40%	0.403	27%	0.269	S	S	.	.	H	α-helix	trans	-106.9	-24.7	-179.3	-54.9	-171.7	0	0	0	114	V180 Y196 F200	V180-L184 HydrophobicContact CG1-CD1 3.71Å; V180-L184 HydrophobicContact CG1-CG 4.16Å; V180-L184 WeakPolarHBondContact O-CB 3.31Å; V180-L184 PolarHBondContact O-N 3.32Å; L184-Y196 HydrophobicContact CD1-CD2 3.73Å; L184-Y196 HydrophobicContact CD1-CE2 4.04Å; L184-F200 HydrophobicContact CD1-CE2 4.16Å; L184-F200 HydrophobicContact CD1-CZ 4.23Å; L184-F200 HydrophobicContact CD2-CE2 4.42Å; L184-F200 HydrophobicContact CD2-CZ 4.04Å; L184-F200 HydrophobicContact CG-CE2 4.4Å; L184-F200 HydrophobicContact CG-CZ 3.99Å
185	G	94.2	Very high	95	Very high	22 Å²	22	52 Å²	52	23%	0.227	29%	0.286	C	S	.	.			trans	87	-145.7	-170	0	0	0	0	0	112	Q181 H218	Q181-G185 VanDerWaalsContact CD-O 3.27Å; Q181-G185 PolarHBondContact NE2-O 2.93Å; Q181-G185 WeakPolarHBondContact O-CA 3.41Å; Q181-G185 PolarHBondContact O-N 2.71Å; Q181-G185 VanDerWaalsContact O-N 3.11Å; Q181-G185 PolarHBondContact OE1-O 3.1Å; G185-H218 PolarHBondContact O-NE2 3.15Å
186	D	96.6	Very high	94.8	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.332	29%	0.291	S	S	.	.	S	Bend	trans	-73.6	147.7	-179	-81.2	-2.7	0	0	0	112.7	Q181 D188 R222 G223	Q181-D186 PolarHBondContact NE2-OD1 3.03Å; D186-D188 PolarHBondContact O-N 2.93Å; D186-R222 WeakPolarHBondContact OD1-CA 3.29Å; D186-R222 WeakPolarHBondContact OD2-CG 3.03Å; D186-G223 VanDerWaalsContact CG-N 3.26Å; D186-G223 PolarHBondContact OD1-N 3.26Å; D186-G223 PolarHBondContact OD2-N 3.01Å
187	Y	97.1	Very high	94.6	Very high	60 Å²	60	53.3 Å²	53.3	24%	0.235	29%	0.29	C	S	.	.			trans	-64.4	106.1	169.5	178.5	-93.4	0	0	0	112.3	P189 H192 Y196 R219	Y187-P189 HydrophobicContact CE1-CB 3.95Å; Y187-H192 HydrophobicContact CD2-CB 3.87Å; Y187-H192 HydrophobicContact CE2-CB 3.66Å; Y187-Y196 HydrophobicContact CD2-CE1 4.2Å; Y187-Y196 AromaticContact CD2-CZ 3.89Å; Y187-Y196 WeakPolarHBondContact CD2-OH 3.22Å; Y187-Y196 AromaticContact CE2-CE1 3.88Å; Y187-Y196 HydrophobicContact CE2-CE1 3.88Å; Y187-R219 HydrophobicContact CD1-CB 4.47Å; Y187-R219 HydrophobicContact CD1-CG 3.65Å; Y187-R219 HydrophobicContact CD2-CG 3.9Å; Y187-R219 HydrophobicContact CE1-CG 3.8Å; Y187-R219 HydrophobicContact CE2-CG 4.01Å; Y187-R219 HydrophobicContact CG-CG 3.69Å; Y187-R219 PolarHBondContact OH-NE 3.46Å; Y187-R219 PolarHBondContact OH-NH2 2.95Å
188	D	95.4	Very high	94.3	Very high	69 Å²	69	56 Å²	56	37%	0.369	31%	0.309	S	S	.	.			trans	-95.4	123.3	163.7	-165.9	-50.5	0	0	0	111.1	D186 E190 E191 H192	D186-D188 PolarHBondContact O-N 2.93Å; D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 PolarHBondContact O-N 2.87Å; D188-E190 WeakPolarHBondContact OD1-CB 3.35Å; D188-E190 PolarHBondContact OD1-N 2.96Å; D188-E191 HydrophobicContact CB-CB 4.45Å; D188-H192 PolarHBondContact N-ND1 2.89Å; D188-H192 VanDerWaalsContact O-CB 3.22Å; D188-H192 WeakPolarHBondContact O-CB 3.24Å; D188-H192 PolarHBondContact O-N 2.89Å; D188-H192 PolarHBondContact O-ND1 2.84Å
189	P	93.5	Very high	93.9	Very high	94 Å²	94	59.9 Å²	59.9	61%	0.61	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.9	179.3	32.2	-37	0	0	0	115.4	Y187	Y187-P189 HydrophobicContact CE1-CB 3.95Å
190	E	93.9	Very high	93.6	Very high	187 Å²	187	60.6 Å²	60.6	87%	0.874	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-33.6	174.2	-61.6	-168.7	-173.2	0	0	111.7	D188	D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 PolarHBondContact O-N 2.87Å; D188-E190 WeakPolarHBondContact OD1-CB 3.35Å; D188-E190 PolarHBondContact OD1-N 2.96Å
191	E	91.2	Very high	93.5	Very high	161 Å²	161	66.1 Å²	66.1	75%	0.752	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-36.8	175.9	-59.5	-163	152.7	0	0	113	D188 G193	D188-E191 HydrophobicContact CB-CB 4.45Å; E191-G193 PolarHBondContact O-N 3.48Å
192	H	94.3	Very high	93.4	Very high	17 Å²	17	66.9 Å²	66.9	8%	0.079	36%	0.359	C	S	.	.			trans	-94.8	95	-173.6	-58.2	99.8	0	0	0	112.2	Y187 D188 Y196	Y187-H192 HydrophobicContact CD2-CB 3.87Å; Y187-H192 HydrophobicContact CE2-CB 3.66Å; D188-H192 PolarHBondContact N-ND1 2.89Å; D188-H192 VanDerWaalsContact O-CB 3.22Å; D188-H192 WeakPolarHBondContact O-CB 3.24Å; D188-H192 PolarHBondContact O-N 2.89Å; D188-H192 PolarHBondContact O-ND1 2.84Å; H192-Y196 HydrophobicContact CB-CD1 3.76Å; H192-Y196 HydrophobicContact CB-CD2 4.1Å; H192-Y196 HydrophobicContact CB-CE1 3.94Å; H192-Y196 HydrophobicContact CB-CE2 4.27Å; H192-Y196 HydrophobicContact CB-CG 3.81Å; H192-Y196 AromaticContact CD2-CD2 3.24Å; H192-Y196 WeakPolarHBondContact CD2-CD2 3.32Å; H192-Y196 AromaticContact CD2-CE2 3.57Å; H192-Y196 AromaticContact CD2-CG 3.72Å; H192-Y196 AromaticContact CG-CD2 3.96Å
193	G	90.9	Very high	93.4	Very high	35 Å²	35	66.8 Å²	66.8	36%	0.361	36%	0.358	S	S	.	.			trans	-64	-169	173.6	0	0	0	0	0	114.9	E191 D195 Y196	E191-G193 PolarHBondContact O-N 3.48Å; G193-D195 PolarHBondContact O-N 2.99Å; G193-Y196 VanDerWaalsContact O-CD1 3.24Å; G193-Y196 WeakPolarHBondContact O-CD1 3.29Å
194	P	89.2	Confident	93.3	Very high	109 Å²	109	68.2 Å²	68.2	71%	0.708	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-8	-177.3	32.2	-36.5	0	0	0	114.7	M215	P194-M215 WeakPolarHBondContact O-CE 3.34Å
195	D	91.3	Very high	93.1	Very high	106 Å²	106	71.6 Å²	71.6	57%	0.567	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.4	15.4	-168.2	57.2	-21.3	0	0	0	113.5	G193 V197 S198	G193-D195 PolarHBondContact O-N 2.99Å; D195-V197 PolarHBondContact O-N 2.82Å; D195-S198 WeakPolarHBondContact O-CB 3.28Å; D195-S198 PolarHBondContact O-N 3.34Å; D195-S198 PolarHBondContact O-OG 2.94Å
196	Y	94.8	Very high	93	Very high	35 Å²	35	73 Å²	73	14%	0.137	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.7	-175.3	73.3	-81.6	0	0	0	115.3	V180 L184 Y187 H192 G193 M215 H218	V180-Y196 HydrophobicContact CG1-CE2 3.82Å; L184-Y196 HydrophobicContact CD1-CD2 3.73Å; L184-Y196 HydrophobicContact CD1-CE2 4.04Å; Y187-Y196 HydrophobicContact CD2-CE1 4.2Å; Y187-Y196 AromaticContact CD2-CZ 3.89Å; Y187-Y196 WeakPolarHBondContact CD2-OH 3.22Å; Y187-Y196 AromaticContact CE2-CE1 3.88Å; Y187-Y196 HydrophobicContact CE2-CE1 3.88Å; H192-Y196 HydrophobicContact CB-CD1 3.76Å; H192-Y196 HydrophobicContact CB-CD2 4.1Å; H192-Y196 HydrophobicContact CB-CE1 3.94Å; H192-Y196 HydrophobicContact CB-CE2 4.27Å; H192-Y196 HydrophobicContact CB-CG 3.81Å; H192-Y196 AromaticContact CD2-CD2 3.24Å; H192-Y196 WeakPolarHBondContact CD2-CD2 3.32Å; H192-Y196 AromaticContact CD2-CE2 3.57Å; H192-Y196 AromaticContact CD2-CG 3.72Å; H192-Y196 AromaticContact CG-CD2 3.96Å; G193-Y196 VanDerWaalsContact O-CD1 3.24Å; G193-Y196 WeakPolarHBondContact O-CD1 3.29Å; Y196-M215 HydrophobicContact CD1-CG 4.13Å; Y196-M215 HydrophobicContact CD1-SD 3.59Å; Y196-M215 VanDerWaalsContact CD1-SD 3.59Å; Y196-M215 HydrophobicContact CE1-CB 4.08Å; Y196-M215 HydrophobicContact CE1-CG 3.39Å; Y196-M215 HydrophobicContact CE1-SD 3.35Å; Y196-M215 WeakPolarHBondContact CE1-SD 3.5Å; Y196-H218 AromaticContact CE2-ND1 3.61Å; Y196-H218 AromaticContact CZ-ND1 3.62Å; Y196-H218 PolarHBondContact OH-ND1 2.93Å
197	V	94.6	Very high	92.9	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.6	178.4	-58.3	0	0	0	0	113.6	V180 D195 E199 F200 F202 E211 V214 M215	V180-V197 HydrophobicContact CG1-CG1 4.24Å; V180-V197 HydrophobicContact CG2-CG1 3.98Å; D195-V197 PolarHBondContact O-N 2.82Å; V197-E199 PolarHBondContact O-N 3.27Å; V197-F200 VanDerWaalsContact O-CB 3.31Å; V197-F200 WeakPolarHBondContact O-CB 3.4Å; V197-F200 PolarHBondContact O-N 2.94Å; V197-F202 HydrophobicContact CB-CE2 4.16Å; V197-F202 HydrophobicContact CB-CZ 4.2Å; V197-F202 HydrophobicContact CG2-CE2 4.47Å; V197-E211 HydrophobicContact CG2-CB 3.69Å; V197-E211 HydrophobicContact CG2-CG 3.97Å; V197-V214 HydrophobicContact CG1-CG1 4.18Å; V197-M215 HydrophobicContact CB-CG 4.28Å; V197-M215 HydrophobicContact CG1-CG 3.62Å; V197-M215 HydrophobicContact CG1-SD 4.4Å; V197-M215 HydrophobicContact CG2-CE 4.16Å; V197-M215 HydrophobicContact CG2-CG 3.63Å; V197-M215 HydrophobicContact CG2-SD 3.88Å
198	S	91.9	Very high	92.9	Very high	57 Å²	57	79.2 Å²	79.2	40%	0.399	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.7	-171.8	-54.7	0	0	0	0	114.6	D195 E211	D195-S198 WeakPolarHBondContact O-CB 3.28Å; D195-S198 PolarHBondContact O-N 3.34Å; D195-S198 PolarHBondContact O-OG 2.94Å; S198-E211 WeakPolarHBondContact CB-OE2 3.27Å; S198-E211 PolarHBondContact OG-OE2 3.24Å
199	E	89	Confident	93	Very high	110 Å²	110	81.1 Å²	81.1	51%	0.514	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-23.4	165.8	-65.6	-162.7	158.8	0	0	112.6	V197 H201 R384	V197-E199 PolarHBondContact O-N 3.27Å; E199-H201 PolarHBondContact O-ND1 3.46Å; E199-R384 WeakPolarHBondContact OE2-CD 3.34Å; E199-R384 WeakPolarHBondContact OE2-CG 3.37Å
200	F	92.4	Very high	93.2	Very high	24 Å²	24	76.8 Å²	76.8	11%	0.105	40%	0.395	C	S	.	.			trans	-80.8	144	-179	-67	-105.9	0	0	0	111.3	T179 V180 E183 L184 V197 F202 Q206	T179-F200 HydrophobicContact CG2-CD1 4.3Å; T179-F200 HydrophobicContact CG2-CE1 4.47Å; V180-F200 HydrophobicContact CG2-CD1 4.38Å; V180-F200 HydrophobicContact CG2-CE1 4.41Å; V180-F200 HydrophobicContact CG2-CG 4.48Å; E183-F200 HydrophobicContact CB-CE1 4.09Å; E183-F200 HydrophobicContact CB-CZ 4.25Å; E183-F200 HydrophobicContact CG-CE1 4.48Å; L184-F200 HydrophobicContact CD1-CE2 4.16Å; L184-F200 HydrophobicContact CD1-CZ 4.23Å; L184-F200 HydrophobicContact CD2-CE2 4.42Å; L184-F200 HydrophobicContact CD2-CZ 4.04Å; L184-F200 HydrophobicContact CG-CE2 4.4Å; L184-F200 HydrophobicContact CG-CZ 3.99Å; V197-F200 VanDerWaalsContact O-CB 3.31Å; V197-F200 WeakPolarHBondContact O-CB 3.4Å; V197-F200 PolarHBondContact O-N 2.94Å; F200-F202 HydrophobicContact CB-CD1 4.34Å; F200-F202 HydrophobicContact CB-CE1 3.57Å; F200-F202 HydrophobicContact CB-CE2 3.75Å; F200-F202 HydrophobicContact CB-CZ 3.22Å; F200-F202 HydrophobicContact CD1-CE1 4.15Å; F200-F202 HydrophobicContact CD1-CZ 4.31Å; F200-F202 HydrophobicContact CG-CE1 4.11Å; F200-F202 AromaticContact CG-CZ 3.84Å; F200-F202 HydrophobicContact CG-CZ 3.84Å; F200-Q206 PolarHBondContact O-NE2 2.92Å; F200-Q206 PolarHBondContact O-OE1 3.46Å
201	H	92.8	Very high	93.3	Very high	116 Å²	116	69.3 Å²	69.3	54%	0.537	36%	0.359	S	S	.	.			trans	-112.9	113.7	174.2	-68.1	52.3	0	0	0	108.6	L161 E199	L161-H201 HydrophobicContact CD1-CB 4.18Å; L161-H201 HydrophobicContact CD2-CB 4.07Å; E199-H201 PolarHBondContact O-ND1 3.46Å
202	F	95.1	Very high	93.6	Very high	15 Å²	15	65.5 Å²	65.5	7%	0.066	34%	0.342	C	S	.	.			trans	-104.6	-31.6	-176.1	-54.1	-62.8	0	0	0	113.2	I160 H172 V180 V197 F200 L210 V214	I160-F202 WeakPolarHBondContact CG2-O 3.47Å; H172-F202 PolarHBondContact CD2-O 2.91Å; V180-F202 HydrophobicContact CG2-CE1 3.83Å; V180-F202 HydrophobicContact CG2-CZ 3.58Å; V197-F202 HydrophobicContact CB-CE2 4.16Å; V197-F202 HydrophobicContact CB-CZ 4.2Å; V197-F202 HydrophobicContact CG2-CE2 4.47Å; F200-F202 HydrophobicContact CB-CD1 4.34Å; F200-F202 HydrophobicContact CB-CE1 3.57Å; F200-F202 HydrophobicContact CB-CE2 3.75Å; F200-F202 HydrophobicContact CB-CZ 3.22Å; F200-F202 HydrophobicContact CD1-CE1 4.15Å; F200-F202 HydrophobicContact CD1-CZ 4.31Å; F200-F202 HydrophobicContact CG-CE1 4.11Å; F200-F202 AromaticContact CG-CZ 3.84Å; F200-F202 HydrophobicContact CG-CZ 3.84Å; F202-L210 HydrophobicContact CB-CD2 4.22Å; F202-V214 HydrophobicContact CD2-CG2 3.98Å; F202-V214 HydrophobicContact CE1-CG1 4.3Å; F202-V214 HydrophobicContact CE2-CB 4.27Å; F202-V214 HydrophobicContact CE2-CG1 3.97Å; F202-V214 HydrophobicContact CE2-CG2 3.99Å; F202-V214 HydrophobicContact CG-CG2 4.33Å; F202-V214 HydrophobicContact CZ-CB 4.48Å; F202-V214 HydrophobicContact CZ-CG1 3.71Å; F202-V214 HydrophobicContact CZ-CG2 4.32Å
203	A	95.4	Very high	93.8	Very high	10 Å²	10	69.8 Å²	69.8	8%	0.083	36%	0.357	C	S	.	.	S	Bend	trans	-138	154.2	-175.4	0	0	0	0	0	111.6	H172 N205 L210	H172-A203 HydrophobicContact CB-CB 4.32Å; H172-A203 VanDerWaalsContact CD2-CB 3.41Å; H172-A203 WeakPolarHBondContact CD2-CB 3.48Å; A203-N205 PolarHBondContact O-N 3.33Å; A203-L210 HydrophobicContact CB-CD2 3.59Å
204	P	92.5	Very high	94.2	Very high	67 Å²	67	68.1 Å²	68.1	44%	0.435	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.7	175.6	-23.6	32.8	0	0	0	114	I160	I160-P204 WeakPolarHBondContact O-CG 3.17Å
205	N	88.5	Confident	94.6	Very high	147 Å²	147	63.4 Å²	63.4	79%	0.786	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	79.3	175.5	-64.4	-32.8	0	0	0	108	A203	A203-N205 PolarHBondContact O-N 3.33Å
206	Q	92	Very high	94.9	Very high	53 Å²	53	62.6 Å²	62.6	25%	0.248	30%	0.302	C	S	.	.			trans	-71.2	143.9	179.9	-172.8	152.8	-57	0	0	111.4	F200 L210 E211	F200-Q206 PolarHBondContact O-NE2 2.92Å; F200-Q206 PolarHBondContact O-OE1 3.46Å; Q206-L210 HydrophobicContact CG-CD2 4.33Å; Q206-E211 HydrophobicContact CG-CG 4.22Å; Q206-E211 WeakPolarHBondContact CG-OE1 3.4Å; Q206-E211 PolarHBondContact NE2-OE1 3.16Å
207	T	95.8	Very high	95.1	Very high	68 Å²	68	63.3 Å²	63.3	42%	0.417	31%	0.308	S	S	.	.			trans	-126.9	155.4	174.4	65.5	0	0	0	0	109.7	E209 L210 E211	T207-E209 PolarHBondContact O-N 2.7Å; T207-L210 VanDerWaalsContact O-CB 3.31Å; T207-L210 WeakPolarHBondContact O-CB 3.42Å; T207-L210 PolarHBondContact O-N 2.81Å; T207-L210 PolarHBondContact OG1-N 3.33Å; T207-E211 PolarHBondContact O-N 2.6Å
208	R	95.9	Very high	95.2	Very high	183 Å²	183	63.3 Å²	63.3	69%	0.691	31%	0.308	S	S	*	.	H	α-helix	trans	-57.5	-34.9	173.5	178	177.8	161.9	138.3	10.4	112.5	L210 E211 E212	R208-L210 VanDerWaalsContact C-N 3.31Å; R208-L210 PolarHBondContact O-N 3.39Å; R208-E211 PolarHBondContact O-N 2.9Å; R208-E212 HydrophobicContact CG-CG 4.39Å; R208-E212 IonicContact CZ-OE1 3.24Å; R208-E212 IonicContact NE-OE1 2.7Å; R208-E212 PolarHBondContact NE-OE1 2.95Å; R208-E212 IonicContact NH2-OE1 3.25Å; R208-E212 PolarHBondContact NH2-OE1 2.7Å; R208-E212 WeakPolarHBondContact O-CG 3.34Å; R208-E212 PolarHBondContact O-N 3.16Å
209	E	97.4	Very high	95.5	Very high	109 Å²	109	66.1 Å²	66.1	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-38.5	174.7	-165.9	-169.7	172.2	0	0	111.7	F169 T207 E212 R213	F169-E209 HydrophobicContact CZ-CB 4.31Å; F169-E209 HydrophobicContact CZ-CG 3.96Å; T207-E209 PolarHBondContact O-N 2.7Å; E209-E212 PolarHBondContact O-N 3.46Å; E209-R213 WeakPolarHBondContact O-CG 3.18Å; E209-R213 PolarHBondContact O-N 2.91Å
210	L	97.4	Very high	95.9	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-44.6	174.8	179.6	59.2	0	0	0	111.1	F169 H172 A173 F202 A203 Q206 T207 R208 R213 V214	F169-L210 HydrophobicContact CD2-CB 4.5Å; F169-L210 HydrophobicContact CD2-CD1 4.31Å; F169-L210 HydrophobicContact CE2-CB 3.75Å; F169-L210 HydrophobicContact CE2-CD1 4.1Å; F169-L210 HydrophobicContact CZ-CB 4.36Å; F169-L210 HydrophobicContact CZ-CD1 4.48Å; H172-L210 HydrophobicContact CB-CD1 3.81Å; H172-L210 HydrophobicContact CB-CD2 4.04Å; A173-L210 HydrophobicContact CB-CD1 3.84Å; F202-L210 HydrophobicContact CB-CD2 4.22Å; A203-L210 HydrophobicContact CB-CD2 3.59Å; Q206-L210 HydrophobicContact CG-CD2 4.33Å; T207-L210 VanDerWaalsContact O-CB 3.31Å; T207-L210 WeakPolarHBondContact O-CB 3.42Å; T207-L210 PolarHBondContact O-N 2.81Å; T207-L210 PolarHBondContact OG1-N 3.33Å; R208-L210 VanDerWaalsContact C-N 3.31Å; R208-L210 PolarHBondContact O-N 3.39Å; L210-R213 PolarHBondContact O-N 2.94Å; L210-V214 WeakPolarHBondContact O-CG2 3.5Å; L210-V214 PolarHBondContact O-N 2.81Å
211	E	97.6	Very high	96.1	Very high	29 Å²	29	66.8 Å²	66.8	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-44.4	176.3	-71.6	171.4	-143.8	0	0	111.7	V197 S198 Q206 T207 R208 R213 V214 M215	V197-E211 HydrophobicContact CG2-CB 3.69Å; V197-E211 HydrophobicContact CG2-CG 3.97Å; S198-E211 WeakPolarHBondContact CB-OE2 3.27Å; S198-E211 PolarHBondContact OG-OE2 3.24Å; Q206-E211 HydrophobicContact CG-CG 4.22Å; Q206-E211 WeakPolarHBondContact CG-OE1 3.4Å; Q206-E211 PolarHBondContact NE2-OE1 3.16Å; T207-E211 PolarHBondContact O-N 2.6Å; R208-E211 PolarHBondContact O-N 2.9Å; E211-R213 VanDerWaalsContact C-N 3.32Å; E211-R213 PolarHBondContact O-N 2.85Å; E211-V214 PolarHBondContact O-N 2.57Å; E211-M215 WeakPolarHBondContact O-CG 3.38Å; E211-M215 PolarHBondContact O-N 3.14Å
212	E	97.6	Very high	96.3	Very high	81 Å²	81	71.5 Å²	71.5	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-61.2	-38.1	176.2	-73.4	173	171.1	0	0	112.2	R208 E209 M215 E216	R208-E212 HydrophobicContact CG-CG 4.39Å; R208-E212 IonicContact CZ-OE1 3.24Å; R208-E212 IonicContact NE-OE1 2.7Å; R208-E212 PolarHBondContact NE-OE1 2.95Å; R208-E212 IonicContact NH2-OE1 3.25Å; R208-E212 PolarHBondContact NH2-OE1 2.7Å; R208-E212 WeakPolarHBondContact O-CG 3.34Å; R208-E212 PolarHBondContact O-N 3.16Å; E209-E212 PolarHBondContact O-N 3.46Å; E212-M215 HydrophobicContact CG-CE 4.06Å; E212-M215 PolarHBondContact O-N 3.03Å; E212-E216 WeakPolarHBondContact O-CB 3.33Å; E212-E216 PolarHBondContact O-N 3.1Å
213	R	98.2	Very high	96.4	Very high	108 Å²	108	73.5 Å²	73.5	41%	0.408	35%	0.354	S	S	.	.	H	α-helix	trans	-71.8	-34.8	173.1	-64.8	-56	-175.7	174.5	-0.8	113.8	F169 A173 E209 L210 E211 M215 E216 L217	F169-R213 HydrophobicContact CE1-CG 4.01Å; F169-R213 HydrophobicContact CZ-CG 4.05Å; A173-R213 HydrophobicContact CB-CB 3.94Å; E209-R213 WeakPolarHBondContact O-CG 3.18Å; E209-R213 PolarHBondContact O-N 2.91Å; L210-R213 PolarHBondContact O-N 2.94Å; E211-R213 VanDerWaalsContact C-N 3.32Å; E211-R213 PolarHBondContact O-N 2.85Å; R213-M215 VanDerWaalsContact C-N 3.34Å; R213-E216 WeakPolarHBondContact CD-OE2 3.41Å; R213-E216 IonicContact CZ-OE2 3.63Å; R213-E216 IonicContact NE-OE2 2.81Å; R213-E216 IonicContact NH1-OE1 2.7Å; R213-E216 PolarHBondContact NH1-OE1 3.36Å; R213-E216 IonicContact NH1-OE2 3.84Å; R213-E216 PolarHBondContact NH1-OE2 2.79Å; R213-E216 PolarHBondContact O-N 3.35Å; R213-L217 WeakPolarHBondContact O-CG 3.47Å; R213-L217 PolarHBondContact O-N 3.47Å; R213-L217 VanDerWaalsContact O-N 3.07Å
214	V	98.4	Very high	96.5	Very high	0 Å²	0	75 Å²	75	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-45.6	171.5	167.2	0	0	0	0	110.2	V180 V197 F202 L210 E211 L217 H218	V180-V214 HydrophobicContact CG2-CG1 3.72Å; V197-V214 HydrophobicContact CG1-CG1 4.18Å; F202-V214 HydrophobicContact CD2-CG2 3.98Å; F202-V214 HydrophobicContact CE1-CG1 4.3Å; F202-V214 HydrophobicContact CE2-CB 4.27Å; F202-V214 HydrophobicContact CE2-CG1 3.97Å; F202-V214 HydrophobicContact CE2-CG2 3.99Å; F202-V214 HydrophobicContact CG-CG2 4.33Å; F202-V214 HydrophobicContact CZ-CB 4.48Å; F202-V214 HydrophobicContact CZ-CG1 3.71Å; F202-V214 HydrophobicContact CZ-CG2 4.32Å; L210-V214 WeakPolarHBondContact O-CG2 3.5Å; L210-V214 PolarHBondContact O-N 2.81Å; E211-V214 PolarHBondContact O-N 2.57Å; V214-L217 PolarHBondContact O-N 3.05Å; V214-H218 WeakPolarHBondContact O-CB 3.36Å; V214-H218 PolarHBondContact O-N 3.1Å
215	M	97.9	Very high	96.6	Very high	10 Å²	10	75 Å²	75	5%	0.049	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-38.1	178.4	-67.2	-172.7	-76.5	0	0	113	P194 Y196 V197 E211 E212 R213 R219	P194-M215 WeakPolarHBondContact O-CE 3.34Å; Y196-M215 HydrophobicContact CD1-CG 4.13Å; Y196-M215 HydrophobicContact CD1-SD 3.59Å; Y196-M215 VanDerWaalsContact CD1-SD 3.59Å; Y196-M215 HydrophobicContact CE1-CB 4.08Å; Y196-M215 HydrophobicContact CE1-CG 3.39Å; Y196-M215 HydrophobicContact CE1-SD 3.35Å; Y196-M215 WeakPolarHBondContact CE1-SD 3.5Å; V197-M215 HydrophobicContact CB-CG 4.28Å; V197-M215 HydrophobicContact CG1-CG 3.62Å; V197-M215 HydrophobicContact CG1-SD 4.4Å; V197-M215 HydrophobicContact CG2-CE 4.16Å; V197-M215 HydrophobicContact CG2-CG 3.63Å; V197-M215 HydrophobicContact CG2-SD 3.88Å; E211-M215 WeakPolarHBondContact O-CG 3.38Å; E211-M215 PolarHBondContact O-N 3.14Å; E212-M215 HydrophobicContact CG-CE 4.06Å; E212-M215 PolarHBondContact O-N 3.03Å; R213-M215 VanDerWaalsContact C-N 3.34Å; M215-R219 WeakPolarHBondContact O-CD 3.38Å; M215-R219 WeakPolarHBondContact O-CG 3.46Å; M215-R219 PolarHBondContact O-N 3.1Å
216	E	97.6	Very high	96.9	Very high	89 Å²	89	69.9 Å²	69.9	42%	0.416	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-45.3	173.4	-178	-179	-146.4	0	0	111.6	E212 R213 N220	E212-E216 WeakPolarHBondContact O-CB 3.33Å; E212-E216 PolarHBondContact O-N 3.1Å; R213-E216 WeakPolarHBondContact CD-OE2 3.41Å; R213-E216 IonicContact CZ-OE2 3.63Å; R213-E216 IonicContact NE-OE2 2.81Å; R213-E216 IonicContact NH1-OE1 2.7Å; R213-E216 PolarHBondContact NH1-OE1 3.36Å; R213-E216 IonicContact NH1-OE2 3.84Å; R213-E216 PolarHBondContact NH1-OE2 2.79Å; R213-E216 PolarHBondContact O-N 3.35Å; E216-N220 PolarHBondContact O-ND2 2.87Å
217	L	98.4	Very high	97	Very high	50 Å²	50	68.4 Å²	68.4	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-70.1	-43.2	178.1	-72	173.1	0	0	0	112.7	A173 S177 R213 V214 R219 N220	A173-L217 HydrophobicContact CB-CD1 4.17Å; S177-L217 VanDerWaalsContact CB-CB 3.46Å; R213-L217 WeakPolarHBondContact O-CG 3.47Å; R213-L217 PolarHBondContact O-N 3.47Å; R213-L217 VanDerWaalsContact O-N 3.07Å; V214-L217 PolarHBondContact O-N 3.05Å; L217-R219 VanDerWaalsContact C-N 3.29Å; L217-R219 PolarHBondContact O-N 3.2Å; L217-N220 WeakPolarHBondContact O-CB 3.19Å; L217-N220 PolarHBondContact O-N 2.94Å
218	H	98.3	Very high	97.1	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.7	-39.8	-178.3	-177.6	-134.2	0	0	0	112.9	Q181 G185 Y196 V214 N220 Y221	Q181-H218 PolarHBondContact OE1-CD2 3.26Å; Q181-H218 PolarHBondContact OE1-NE2 3.07Å; G185-H218 PolarHBondContact O-NE2 3.15Å; Y196-H218 AromaticContact CE2-ND1 3.61Å; Y196-H218 AromaticContact CZ-ND1 3.62Å; Y196-H218 PolarHBondContact OH-ND1 2.93Å; V214-H218 WeakPolarHBondContact O-CB 3.36Å; V214-H218 PolarHBondContact O-N 3.1Å; H218-N220 PolarHBondContact O-N 3.32Å; H218-Y221 PolarHBondContact O-N 3.48Å; H218-Y221 VanDerWaalsContact O-N 3.11Å
219	R	97.4	Very high	97.1	Very high	116 Å²	116	61.1 Å²	61.1	44%	0.438	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.7	176	-73.8	164.9	178.9	148.3	4.4	114.5	Y187 M215 L217	Y187-R219 HydrophobicContact CD1-CB 4.47Å; Y187-R219 HydrophobicContact CD1-CG 3.65Å; Y187-R219 HydrophobicContact CD2-CG 3.9Å; Y187-R219 HydrophobicContact CE1-CG 3.8Å; Y187-R219 HydrophobicContact CE2-CG 4.01Å; Y187-R219 HydrophobicContact CG-CG 3.69Å; Y187-R219 PolarHBondContact OH-NE 3.46Å; Y187-R219 PolarHBondContact OH-NH2 2.95Å; M215-R219 WeakPolarHBondContact O-CD 3.38Å; M215-R219 WeakPolarHBondContact O-CG 3.46Å; M215-R219 PolarHBondContact O-N 3.1Å; L217-R219 VanDerWaalsContact C-N 3.29Å; L217-R219 PolarHBondContact O-N 3.2Å
220	N	97.2	Very high	97.1	Very high	122 Å²	122	56.2 Å²	56.2	65%	0.652	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	0	-176	-59.8	-55.4	0	0	0	113.8	E216 L217 H218	E216-N220 PolarHBondContact O-ND2 2.87Å; L217-N220 WeakPolarHBondContact O-CB 3.19Å; L217-N220 PolarHBondContact O-N 2.94Å; H218-N220 PolarHBondContact O-N 3.32Å
221	Y	97.8	Very high	97.1	Very high	25 Å²	25	58.3 Å²	58.3	10%	0.098	29%	0.286	C	S	.	.			trans	-99.8	12.6	-174	-63.3	-14.3	0	0	0	114.3	L174 S177 Y178 Q181 H218 G223 M224	L174-Y221 WeakPolarHBondContact CD1-OH 3.37Å; S177-Y221 WeakPolarHBondContact OG-CE2 3.42Å; S177-Y221 PolarHBondContact OG-OH 3.07Å; Y178-Y221 HydrophobicContact CD1-CD2 4.12Å; Y178-Y221 AromaticContact CD1-CE2 3.54Å; Y178-Y221 HydrophobicContact CD1-CE2 3.54Å; Y178-Y221 HydrophobicContact CE1-CD2 4.31Å; Y178-Y221 HydrophobicContact CE1-CE1 4.17Å; Y178-Y221 AromaticContact CE1-CE2 3.64Å; Y178-Y221 HydrophobicContact CE1-CE2 3.64Å; Y178-Y221 AromaticContact CE1-CZ 3.6Å; Y178-Y221 HydrophobicContact CG-CE2 4.36Å; Q181-Y221 HydrophobicContact CB-CD2 4.15Å; Q181-Y221 HydrophobicContact CG-CD2 4.44Å; Q181-Y221 PolarHBondContact NE2-O 3.19Å; Q181-Y221 VanDerWaalsContact OE1-CB 3.25Å; H218-Y221 PolarHBondContact O-N 3.48Å; H218-Y221 VanDerWaalsContact O-N 3.11Å; Y221-G223 PolarHBondContact O-N 2.93Å; Y221-M224 HydrophobicContact CD1-CE 3.83Å; Y221-M224 HydrophobicContact CD2-CE 4.4Å; Y221-M224 HydrophobicContact CG-CE 3.81Å; Y221-M224 HydrophobicContact CG-SD 4.47Å; Y221-M224 WeakPolarHBondContact O-CB 3.32Å; Y221-M224 PolarHBondContact O-N 3.28Å
222	R	95.8	Very high	97.1	Very high	216 Å²	216	59.5 Å²	59.5	82%	0.815	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	123.2	-177.3	-166.7	-174.4	-174	179.6	5.5	112.8	D186	D186-R222 WeakPolarHBondContact OD1-CA 3.29Å; D186-R222 WeakPolarHBondContact OD2-CG 3.03Å
223	G	96.6	Very high	97.2	Very high	57 Å²	57	55.9 Å²	55.9	59%	0.588	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-3.8	-177	0	0	0	0	0	115	D186 Y221 T225	D186-G223 VanDerWaalsContact CG-N 3.26Å; D186-G223 PolarHBondContact OD1-N 3.26Å; D186-G223 PolarHBondContact OD2-N 3.01Å; Y221-G223 PolarHBondContact O-N 2.93Å; G223-T225 PolarHBondContact O-N 3.19Å
224	M	97.8	Very high	97.2	Very high	40 Å²	40	50.7 Å²	50.7	20%	0.197	26%	0.257	C	S	.	.			trans	-75.3	119.6	175.7	-173	-178.1	-53.3	0	0	110.2	Y178 Q181 Y221 E228 A229	Y178-M224 HydrophobicContact CD1-SD 4.07Å; Y178-M224 HydrophobicContact CE1-CE 4.17Å; Y178-M224 HydrophobicContact CE1-SD 4.07Å; Q181-M224 HydrophobicContact CG-CB 4.2Å; Q181-M224 HydrophobicContact CG-CG 4.48Å; Q181-M224 HydrophobicContact CG-SD 4.48Å; Q181-M224 PolarHBondContact NE2-O 2.98Å; Y221-M224 HydrophobicContact CD1-CE 3.83Å; Y221-M224 HydrophobicContact CD2-CE 4.4Å; Y221-M224 HydrophobicContact CG-CE 3.81Å; Y221-M224 HydrophobicContact CG-SD 4.47Å; Y221-M224 WeakPolarHBondContact O-CB 3.32Å; Y221-M224 PolarHBondContact O-N 3.28Å; M224-E228 HydrophobicContact CG-CB 3.86Å; M224-A229 HydrophobicContact CG-CB 4.37Å; M224-A229 HydrophobicContact SD-CB 3.94Å
225	T	95.9	Very high	97.2	Very high	68 Å²	68	53.3 Å²	53.3	42%	0.417	27%	0.269	S	S	.	.			trans	-70.7	154.5	178.1	67	0	0	0	0	111.4	G223 A227 E228 A229	G223-T225 PolarHBondContact O-N 3.19Å; T225-A227 PolarHBondContact O-N 3.25Å; T225-A227 VanDerWaalsContact O-N 3.14Å; T225-E228 VanDerWaalsContact CB-OE2 3.29Å; T225-E228 WeakPolarHBondContact CB-OE2 3.5Å; T225-E228 WeakPolarHBondContact CG2-OE2 3.15Å; T225-E228 PolarHBondContact N-OE2 3.26Å; T225-E228 WeakPolarHBondContact O-CB 3.46Å; T225-E228 PolarHBondContact O-N 2.94Å; T225-E228 VanDerWaalsContact OG1-CD 3.3Å; T225-E228 WeakPolarHBondContact OG1-CG 3.17Å; T225-E228 PolarHBondContact OG1-N 3.08Å; T225-E228 PolarHBondContact OG1-OE2 3.39Å; T225-A229 PolarHBondContact O-N 2.93Å
226	P	94.3	Very high	97.2	Very high	40 Å²	40	54.4 Å²	54.4	26%	0.26	28%	0.275	S	S	.	.	H	α-helix	trans	-55.3	-31.7	175.9	-31.9	38.3	0	0	0	114.8	A182 A229 E230	A182-P226 HydrophobicContact CB-CB 4.32Å; P226-A229 PolarHBondContact O-N 3.23Å; P226-E230 WeakPolarHBondContact O-CB 3.47Å; P226-E230 WeakPolarHBondContact O-CG 3.46Å; P226-E230 PolarHBondContact O-N 2.86Å
227	A	94.3	Very high	97.2	Very high	21 Å²	21	50.1 Å²	50.1	17%	0.174	26%	0.255	C	S	.	.	H	α-helix	trans	-71.3	-30.7	176.6	0	0	0	0	0	113	D146 T225 M231	D146-A227 WeakPolarHBondContact OD2-CB 2.83Å; T225-A227 PolarHBondContact O-N 3.25Å; T225-A227 VanDerWaalsContact O-N 3.14Å; A227-M231 WeakPolarHBondContact O-CB 3.36Å; A227-M231 PolarHBondContact O-N 2.85Å
228	E	96.7	Very high	97.2	Very high	99 Å²	99	50.2 Å²	50.2	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-77.2	-38.8	172.9	-68.7	162.2	129.8	0	0	111	M224 T225 M231 N232	M224-E228 HydrophobicContact CG-CB 3.86Å; T225-E228 VanDerWaalsContact CB-OE2 3.29Å; T225-E228 WeakPolarHBondContact CB-OE2 3.5Å; T225-E228 WeakPolarHBondContact CG2-OE2 3.15Å; T225-E228 PolarHBondContact N-OE2 3.26Å; T225-E228 WeakPolarHBondContact O-CB 3.46Å; T225-E228 PolarHBondContact O-N 2.94Å; T225-E228 VanDerWaalsContact OG1-CD 3.3Å; T225-E228 WeakPolarHBondContact OG1-CG 3.17Å; T225-E228 PolarHBondContact OG1-N 3.08Å; T225-E228 PolarHBondContact OG1-OE2 3.39Å; E228-M231 PolarHBondContact O-N 2.66Å; E228-N232 WeakPolarHBondContact O-CB 3.46Å; E228-N232 VanDerWaalsContact O-CG 3.28Å; E228-N232 PolarHBondContact O-N 2.85Å; E228-N232 PolarHBondContact O-ND2 2.96Å; E228-N232 VanDerWaalsContact O-ND2 3.11Å
229	A	97.6	Very high	97.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-44.7	172	0	0	0	0	0	111.5	Q181 A182 M224 T225 P226 M231 N232 F233	Q181-A229 HydrophobicContact CB-CB 4.1Å; Q181-A229 HydrophobicContact CG-CB 4.02Å; A182-A229 HydrophobicContact CB-CB 4.12Å; M224-A229 HydrophobicContact CG-CB 4.37Å; M224-A229 HydrophobicContact SD-CB 3.94Å; T225-A229 PolarHBondContact O-N 2.93Å; P226-A229 PolarHBondContact O-N 3.23Å; A229-M231 PolarHBondContact O-N 3.49Å; A229-N232 PolarHBondContact O-N 3.33Å; A229-F233 WeakPolarHBondContact O-CB 3.46Å; A229-F233 PolarHBondContact O-N 2.96Å
230	E	96.3	Very high	97.1	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.028	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-45.6	170.1	-77.5	164.7	176.1	0	0	112	Y150 A182 P226 F233 L234 R379	Y150-E230 VanDerWaalsContact CD2-OE1 3.24Å; Y150-E230 WeakPolarHBondContact CD2-OE1 3.14Å; A182-E230 HydrophobicContact CB-CG 4.45Å; P226-E230 WeakPolarHBondContact O-CB 3.47Å; P226-E230 WeakPolarHBondContact O-CG 3.46Å; P226-E230 PolarHBondContact O-N 2.86Å; E230-F233 WeakPolarHBondContact O-CB 3.39Å; E230-F233 PolarHBondContact O-N 3.24Å; E230-L234 WeakPolarHBondContact O-CB 3.41Å; E230-L234 VanDerWaalsContact O-CG 3.23Å; E230-L234 WeakPolarHBondContact O-CG 3.31Å; E230-L234 PolarHBondContact O-N 2.96Å; E230-R379 WeakPolarHBondContact OE1-CD 3.1Å; E230-R379 IonicContact OE1-CZ 3.36Å; E230-R379 IonicContact OE1-NE 2.66Å; E230-R379 PolarHBondContact OE1-NE 2.91Å; E230-R379 IonicContact OE1-NH2 2.94Å; E230-R379 IonicContact OE2-CZ 3.87Å; E230-R379 IonicContact OE2-NE 2.59Å; E230-R379 IonicContact OE2-NH2 3.08Å; E230-R379 PolarHBondContact OE2-NH2 2.93Å
231	M	97.3	Very high	96.9	Very high	48 Å²	48	51.4 Å²	51.4	24%	0.236	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-44	177.5	-170.4	65.8	78.6	0	0	111.6	A227 E228 A229 F233 L234 E235	A227-M231 WeakPolarHBondContact O-CB 3.36Å; A227-M231 PolarHBondContact O-N 2.85Å; E228-M231 PolarHBondContact O-N 2.66Å; A229-M231 PolarHBondContact O-N 3.49Å; M231-F233 VanDerWaalsContact C-N 3.35Å; M231-F233 PolarHBondContact O-N 2.59Å; M231-L234 PolarHBondContact O-N 3.45Å; M231-L234 VanDerWaalsContact O-N 3.14Å; M231-E235 HydrophobicContact CG-CG 4.35Å; M231-E235 WeakPolarHBondContact O-CB 3.38Å; M231-E235 WeakPolarHBondContact O-CG 3.19Å; M231-E235 PolarHBondContact O-N 3.12Å
232	N	98.3	Very high	96.8	Very high	53 Å²	53	51.2 Å²	51.2	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-35.6	178.5	-73.3	-38.1	0	0	0	112.5	Y178 E228 A229 N236	Y178-N232 HydrophobicContact CD1-CB 3.92Å; Y178-N232 HydrophobicContact CD2-CB 4.16Å; Y178-N232 HydrophobicContact CE1-CB 3.6Å; Y178-N232 HydrophobicContact CE2-CB 3.84Å; Y178-N232 HydrophobicContact CG-CB 4.22Å; E228-N232 WeakPolarHBondContact O-CB 3.46Å; E228-N232 VanDerWaalsContact O-CG 3.28Å; E228-N232 PolarHBondContact O-N 2.85Å; E228-N232 PolarHBondContact O-ND2 2.96Å; E228-N232 VanDerWaalsContact O-ND2 3.11Å; A229-N232 PolarHBondContact O-N 3.33Å; N232-N236 PolarHBondContact O-N 2.9Å; N232-N236 PolarHBondContact O-ND2 3.49Å
233	F	98.7	Very high	97	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.022	23%	0.234	C	C	.	.	H	α-helix	trans	-58.1	-51.2	168.1	180	-74.6	0	0	0	110.4	C153 L156 R157 I160 L175 Y178 A229 E230 M231 N236 A237	C153-F233 HydrophobicContact CB-CD1 4.26Å; C153-F233 HydrophobicContact CB-CE1 4.35Å; L156-F233 HydrophobicContact CB-CE1 3.8Å; L156-F233 HydrophobicContact CB-CZ 4.22Å; L156-F233 HydrophobicContact CD1-CE1 4.13Å; R157-F233 HydrophobicContact CG-CE2 4.15Å; R157-F233 HydrophobicContact CG-CZ 3.94Å; I160-F233 HydrophobicContact CD1-CZ 4.39Å; L175-F233 HydrophobicContact CB-CD2 3.95Å; L175-F233 HydrophobicContact CB-CE2 3.71Å; L175-F233 HydrophobicContact CB-CZ 4.46Å; L175-F233 HydrophobicContact CD2-CB 4.42Å; L175-F233 HydrophobicContact CD2-CD1 4.38Å; L175-F233 HydrophobicContact CD2-CD2 3.8Å; L175-F233 HydrophobicContact CD2-CE2 4.11Å; L175-F233 HydrophobicContact CD2-CG 3.94Å; L175-F233 HydrophobicContact CD2-CZ 4.49Å; L175-F233 WeakPolarHBondContact CD2-O 3.31Å; L175-F233 HydrophobicContact CG-CD2 4.42Å; L175-F233 HydrophobicContact CG-CE2 4.33Å; L175-F233 WeakPolarHBondContact O-CD2 3.45Å; Y178-F233 HydrophobicContact CD2-CB 4.43Å; A229-F233 WeakPolarHBondContact O-CB 3.46Å; A229-F233 PolarHBondContact O-N 2.96Å; E230-F233 WeakPolarHBondContact O-CB 3.39Å; E230-F233 PolarHBondContact O-N 3.24Å; M231-F233 VanDerWaalsContact C-N 3.35Å; M231-F233 PolarHBondContact O-N 2.59Å; F233-N236 PolarHBondContact O-N 3.18Å; F233-A237 HydrophobicContact CD1-CB 4.3Å; F233-A237 HydrophobicContact CE1-CB 4.11Å; F233-A237 VanDerWaalsContact O-CB 3.32Å; F233-A237 WeakPolarHBondContact O-CB 3.35Å; F233-A237 PolarHBondContact O-N 3.09Å
234	L	98.6	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.8	-40.6	-177.1	-70	172.3	0	0	0	113.4	P140 R149 L152 C153 L156 E230 M231 N236 A237 K238	P140-L234 HydrophobicContact CB-CB 3.92Å; P140-L234 HydrophobicContact CB-CD1 4Å; P140-L234 HydrophobicContact CB-CG 4.39Å; P140-L234 HydrophobicContact CG-CB 4.06Å; R149-L234 HydrophobicContact CB-CD1 3.74Å; R149-L234 HydrophobicContact CG-CD1 4.2Å; L152-L234 HydrophobicContact CB-CD2 4.18Å; L152-L234 HydrophobicContact CD2-CD1 4.41Å; L152-L234 HydrophobicContact CD2-CD2 3.7Å; L152-L234 HydrophobicContact CG-CD2 3.65Å; C153-L234 VanDerWaalsContact SG-CG 3.57Å; L156-L234 HydrophobicContact CD1-CD2 3.49Å; L156-L234 VanDerWaalsContact CD1-CD2 3.49Å; E230-L234 WeakPolarHBondContact O-CB 3.41Å; E230-L234 VanDerWaalsContact O-CG 3.23Å; E230-L234 WeakPolarHBondContact O-CG 3.31Å; E230-L234 PolarHBondContact O-N 2.96Å; M231-L234 PolarHBondContact O-N 3.45Å; M231-L234 VanDerWaalsContact O-N 3.14Å; L234-N236 PolarHBondContact O-N 3.33Å; L234-A237 PolarHBondContact O-N 2.95Å; L234-K238 WeakPolarHBondContact O-CB 3.5Å; L234-K238 PolarHBondContact O-N 3.06Å
235	E	98	Very high	97	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-62.4	-28.1	175.6	-75.4	-54.1	110.6	0	0	112.6	M231 K238 K239	M231-E235 HydrophobicContact CG-CG 4.35Å; M231-E235 WeakPolarHBondContact O-CB 3.38Å; M231-E235 WeakPolarHBondContact O-CG 3.19Å; M231-E235 PolarHBondContact O-N 3.12Å; E235-K238 WeakPolarHBondContact OE1-CE 3.42Å; E235-K238 IonicContact OE1-NZ 2.79Å; E235-K238 PolarHBondContact OE1-NZ 2.67Å; E235-K238 WeakPolarHBondContact OE2-CE 3.5Å; E235-K238 IonicContact OE2-NZ 3.36Å; E235-K238 PolarHBondContact OE2-NZ 2.82Å; E235-K239 WeakPolarHBondContact O-CE 3.39Å; E235-K239 WeakPolarHBondContact O-CG 3.47Å
236	N	98.4	Very high	97	Very high	32 Å²	32	38.1 Å²	38.1	17%	0.171	20%	0.2	C	C	.	.	H	α-helix	trans	-89	-43	174.6	-72.7	-60.9	0	0	0	112.6	L175 N232 F233 L234 K238 K239	L175-N236 HydrophobicContact CD2-CB 4.04Å; N232-N236 PolarHBondContact O-N 2.9Å; N232-N236 PolarHBondContact O-ND2 3.49Å; F233-N236 PolarHBondContact O-N 3.18Å; L234-N236 PolarHBondContact O-N 3.33Å; N236-K238 VanDerWaalsContact C-N 3.29Å; N236-K238 PolarHBondContact O-N 2.89Å; N236-K239 WeakPolarHBondContact O-CB 3.26Å; N236-K239 PolarHBondContact O-N 2.84Å; N236-K239 VanDerWaalsContact O-N 3.13Å; N236-K239 PolarHBondContact OD1-NZ 3.1Å
237	A	98.4	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-35.7	177.7	0	0	0	0	0	112.6	L156 L175 F233 L234 K239 L240 Y243	L156-A237 HydrophobicContact CD1-CB 4.07Å; L175-A237 HydrophobicContact CD1-CB 4.46Å; L175-A237 HydrophobicContact CD2-CB 4.45Å; F233-A237 HydrophobicContact CD1-CB 4.3Å; F233-A237 HydrophobicContact CE1-CB 4.11Å; F233-A237 VanDerWaalsContact O-CB 3.32Å; F233-A237 WeakPolarHBondContact O-CB 3.35Å; F233-A237 PolarHBondContact O-N 3.09Å; L234-A237 PolarHBondContact O-N 2.95Å; A237-K239 PolarHBondContact O-N 3.43Å; A237-L240 WeakPolarHBondContact O-CB 3.44Å; A237-L240 PolarHBondContact O-N 3.11Å; A237-Y243 WeakPolarHBondContact O-CD2 3.41Å
238	K	97.4	Very high	97.2	Very high	52 Å²	52	39.7 Å²	39.7	23%	0.226	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.9	178	83.3	-172.8	-170.5	-170.7	0	114.8	D139 P140 L234 E235 N236 L240 Y243	D139-K238 IonicContact OD1-NZ 2.81Å; D139-K238 PolarHBondContact OD1-NZ 2.71Å; P140-K238 HydrophobicContact CG-CB 4.45Å; P140-K238 HydrophobicContact CG-CD 4.18Å; L234-K238 WeakPolarHBondContact O-CB 3.5Å; L234-K238 PolarHBondContact O-N 3.06Å; E235-K238 WeakPolarHBondContact OE1-CE 3.42Å; E235-K238 IonicContact OE1-NZ 2.79Å; E235-K238 PolarHBondContact OE1-NZ 2.67Å; E235-K238 WeakPolarHBondContact OE2-CE 3.5Å; E235-K238 IonicContact OE2-NZ 3.36Å; E235-K238 PolarHBondContact OE2-NZ 2.82Å; N236-K238 VanDerWaalsContact C-N 3.29Å; N236-K238 PolarHBondContact O-N 2.89Å; K238-L240 VanDerWaalsContact C-N 3.35Å; K238-Y243 HydrophobicContact CB-CD1 4.31Å; K238-Y243 HydrophobicContact CB-CD2 4.45Å; K238-Y243 HydrophobicContact CB-CE1 4.11Å; K238-Y243 HydrophobicContact CB-CE2 4.25Å; K238-Y243 HydrophobicContact CB-CG 4.48Å
239	K	96.8	Very high	97.1	Very high	148 Å²	148	41.5 Å²	41.5	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-16.9	177.1	-59.1	168.9	-176.5	162.4	0	112.6	E235 N236 A237	E235-K239 WeakPolarHBondContact O-CE 3.39Å; E235-K239 WeakPolarHBondContact O-CG 3.47Å; N236-K239 WeakPolarHBondContact O-CB 3.26Å; N236-K239 PolarHBondContact O-N 2.84Å; N236-K239 VanDerWaalsContact O-N 3.13Å; N236-K239 PolarHBondContact OD1-NZ 3.1Å; A237-K239 PolarHBondContact O-N 3.43Å
240	L	96.3	Very high	97.1	Very high	31 Å²	31	41.7 Å²	41.7	16%	0.162	21%	0.212	C	C	.	.	S	Bend	trans	-70.6	139.2	-175.3	-69.3	167.6	0	0	0	112.1	L165 C167 T171 L175 A237 K238 M242 Y243	L165-L240 HydrophobicContact CD1-CB 3.63Å; L165-L240 HydrophobicContact CD1-CD1 3.79Å; L165-L240 HydrophobicContact CD1-CG 4.35Å; L165-L240 HydrophobicContact CD2-CD1 4.05Å; L165-L240 HydrophobicContact CG-CD1 3.8Å; C167-L240 WeakPolarHBondContact SG-CD1 3.28Å; T171-L240 HydrophobicContact CG2-CD2 4.25Å; L175-L240 HydrophobicContact CD1-CD1 4.45Å; A237-L240 WeakPolarHBondContact O-CB 3.44Å; A237-L240 PolarHBondContact O-N 3.11Å; K238-L240 VanDerWaalsContact C-N 3.35Å; L240-M242 PolarHBondContact O-N 3.05Å; L240-Y243 VanDerWaalsContact O-CB 3.27Å; L240-Y243 WeakPolarHBondContact O-CB 3.22Å; L240-Y243 PolarHBondContact O-N 2.84Å
241	S	93.4	Very high	97.2	Very high	83 Å²	83	44.5 Å²	44.5	58%	0.58	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17	-173.2	59.8	0	0	0	0	115.3	Y270	S241-Y270 PolarHBondContact O-OH 2.94Å
242	M	96.8	Very high	97.1	Very high	22 Å²	22	44 Å²	44	11%	0.108	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	2.5	179.1	-65.8	-54.5	-58.3	0	0	113.6	L165 P166 L240 G244 V245 L247 Y270	L165-M242 HydrophobicContact CD1-CB 3.89Å; P166-M242 HydrophobicContact CG-CG 4.38Å; L240-M242 PolarHBondContact O-N 3.05Å; M242-G244 PolarHBondContact O-N 2.78Å; M242-G244 VanDerWaalsContact O-N 3.1Å; M242-V245 HydrophobicContact CE-CB 3.9Å; M242-V245 HydrophobicContact CE-CG1 3.88Å; M242-V245 PolarHBondContact O-N 2.79Å; M242-V245 VanDerWaalsContact O-N 3.1Å; M242-L247 HydrophobicContact CE-CD1 3.61Å; M242-L247 HydrophobicContact CE-CD2 3.97Å; M242-L247 HydrophobicContact CE-CG 3.78Å; M242-Y270 HydrophobicContact SD-CE1 3.64Å; M242-Y270 HydrophobicContact SD-CE2 4.49Å; M242-Y270 VanDerWaalsContact SD-CZ 3.59Å; M242-Y270 PolarHBondContact SD-OH 2.87Å; M242-Y270 VanDerWaalsContact SD-OH 3.32Å
243	Y	98.2	Very high	96.8	Very high	25 Å²	25	46.8 Å²	46.8	10%	0.098	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	116.2	-179	173.4	-96.4	0	0	0	111.5	Y136 P137 L156 A237 K238 L240 V245	Y136-Y243 HydrophobicContact CD1-CE2 4.36Å; P137-Y243 VanDerWaalsContact O-CE1 3.27Å; P137-Y243 WeakPolarHBondContact O-CE1 3.47Å; P137-Y243 PolarHBondContact O-OH 2.82Å; L156-Y243 HydrophobicContact CD1-CE2 3.94Å; L156-Y243 HydrophobicContact CD2-CD2 3.72Å; L156-Y243 HydrophobicContact CD2-CE2 3.74Å; L156-Y243 HydrophobicContact CG-CE2 4.47Å; A237-Y243 WeakPolarHBondContact O-CD2 3.41Å; K238-Y243 HydrophobicContact CB-CD1 4.31Å; K238-Y243 HydrophobicContact CB-CD2 4.45Å; K238-Y243 HydrophobicContact CB-CE1 4.11Å; K238-Y243 HydrophobicContact CB-CE2 4.25Å; K238-Y243 HydrophobicContact CB-CG 4.48Å; L240-Y243 VanDerWaalsContact O-CB 3.27Å; L240-Y243 WeakPolarHBondContact O-CB 3.22Å; L240-Y243 PolarHBondContact O-N 2.84Å; Y243-V245 VanDerWaalsContact C-N 3.29Å; Y243-V245 PolarHBondContact O-N 2.89Å
244	G	97.2	Very high	96.6	Very high	9 Å²	9	53.9 Å²	53.9	9%	0.093	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	28.8	179.9	0	0	0	0	0	115.2	Y136 M242	Y136-G244 VanDerWaalsContact CD2-CA 3.45Å; Y136-G244 VanDerWaalsContact CG-CA 3.43Å; M242-G244 PolarHBondContact O-N 2.78Å; M242-G244 VanDerWaalsContact O-N 3.1Å
245	V	97.6	Very high	96.4	Very high	16 Å²	16	55.4 Å²	55.4	10%	0.097	30%	0.295	C	S	.	.			trans	-98.1	105.3	178	-178.6	0	0	0	0	110.8	M242 Y243 L247 V262 Y270	M242-V245 HydrophobicContact CE-CB 3.9Å; M242-V245 HydrophobicContact CE-CG1 3.88Å; M242-V245 PolarHBondContact O-N 2.79Å; M242-V245 VanDerWaalsContact O-N 3.1Å; Y243-V245 VanDerWaalsContact C-N 3.29Å; Y243-V245 PolarHBondContact O-N 2.89Å; V245-L247 HydrophobicContact CG1-CD2 3.88Å; V245-L247 HydrophobicContact CG1-CG 4.36Å; V245-L247 PolarHBondContact O-N 3.04Å; V245-V262 WeakPolarHBondContact CA-O 3.25Å; V245-Y270 HydrophobicContact CG1-CE2 4.18Å
246	D	96.3	Very high	96.3	Very high	56 Å²	56	55.3 Å²	55.3	30%	0.299	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	115.2	173.2	-177.4	27.9	0	0	0	110.2	H248 G261 V262 V326	D246-H248 VanDerWaalsContact CG-NE2 3.26Å; D246-H248 IonicContact OD1-NE2 3.71Å; D246-H248 IonicContact OD2-CD2 2.66Å; D246-H248 IonicContact OD2-CE1 2.89Å; D246-H248 IonicContact OD2-NE2 2.62Å; D246-H248 PolarHBondContact OD2-NE2 3.22Å; D246-G261 CarbonylContact O-C 3.5Å; D246-G261 WeakPolarHBondContact O-CA 3.14Å; D246-V262 HydrophobicContact CB-CB 4.49Å; D246-V262 PolarHBondContact N-O 2.89Å; D246-V262 PolarHBondContact O-N 3.41Å; D246-V326 WeakPolarHBondContact OD2-CG1 3.3Å
247	L	95.9	Very high	96.2	Very high	69 Å²	69	58.8 Å²	58.8	36%	0.361	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.6	-171	-76.4	-173.9	0	0	0	113.6	M242 V245 M259 Y270	M242-L247 HydrophobicContact CE-CD1 3.61Å; M242-L247 HydrophobicContact CE-CD2 3.97Å; M242-L247 HydrophobicContact CE-CG 3.78Å; V245-L247 HydrophobicContact CG1-CD2 3.88Å; V245-L247 HydrophobicContact CG1-CG 4.36Å; V245-L247 PolarHBondContact O-N 3.04Å; L247-M259 HydrophobicContact CB-CE 3.84Å; L247-M259 HydrophobicContact CD1-CE 4.4Å; L247-M259 HydrophobicContact CD2-CB 4.15Å; L247-Y270 HydrophobicContact CD2-CD2 4.05Å; L247-Y270 HydrophobicContact CD2-CE2 4.03Å
248	H	96.1	Very high	96.2	Very high	25 Å²	25	59.2 Å²	59.2	12%	0.116	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.1	179.2	-64.7	-103.8	0	0	0	111.5	D246 A250 L260 L314 L323	D246-H248 VanDerWaalsContact CG-NE2 3.26Å; D246-H248 IonicContact OD1-NE2 3.71Å; D246-H248 IonicContact OD2-CD2 2.66Å; D246-H248 IonicContact OD2-CE1 2.89Å; D246-H248 IonicContact OD2-NE2 2.62Å; D246-H248 PolarHBondContact OD2-NE2 3.22Å; H248-A250 PolarHBondContact O-N 3.35Å; H248-L260 PolarHBondContact N-O 3.49Å; H248-L260 PolarHBondContact O-N 3.34Å; H248-L314 HydrophobicContact CB-CD2 4.48Å; H248-L323 HydrophobicContact CB-CD1 4.15Å; H248-L323 HydrophobicContact CB-CD2 4.48Å
249	H	95.8	Very high	96.2	Very high	136 Å²	136	58.8 Å²	58.8	63%	0.63	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.6	173	-68.5	87.4	0	0	0	111.3	M259 P315	H249-M259 HydrophobicContact CB-SD 4.18Å; H249-M259 PolarHBondContact CD2-SD 3.32Å; H249-P315 WeakPolarHBondContact O-CD 3.37Å
250	A	97.6	Very high	96.2	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	172.1	176	0	0	0	0	0	111.3	H248 I258 L260 L314	H248-A250 PolarHBondContact O-N 3.35Å; A250-I258 HydrophobicContact CB-CD1 4.45Å; A250-I258 HydrophobicContact CB-CG1 4.16Å; A250-I258 PolarHBondContact N-O 3.18Å; A250-I258 WeakPolarHBondContact O-CG1 3.44Å; A250-I258 PolarHBondContact O-N 3.4Å; A250-L260 HydrophobicContact CB-CD1 3.68Å; A250-L260 HydrophobicContact CB-CG 3.92Å; A250-L314 HydrophobicContact CB-CD1 4.29Å; A250-L314 HydrophobicContact CB-CG 3.99Å
251	K	97.8	Very high	96.3	Very high	64 Å²	64	50.7 Å²	50.7	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.1	161.7	-70.7	174.9	170.9	-63.7	0	109.9	G255 I256 D257 F312 K313	K251-G255 VanDerWaalsContact CD-O 3.31Å; K251-G255 WeakPolarHBondContact CD-O 3.27Å; K251-G255 PolarHBondContact NZ-O 3.06Å; K251-I256 WeakPolarHBondContact CA-O 3.39Å; K251-D257 WeakPolarHBondContact CE-OD1 3.26Å; K251-D257 VanDerWaalsContact CG-OD1 3.24Å; K251-D257 WeakPolarHBondContact CG-OD1 3.44Å; K251-D257 IonicContact NZ-OD1 2.8Å; K251-D257 PolarHBondContact NZ-OD1 3.27Å; K251-D257 IonicContact NZ-OD2 2.64Å; K251-D257 PolarHBondContact NZ-OD2 3.25Å; K251-F312 CarbonylContact O-C 3.5Å; K251-F312 VanDerWaalsContact O-CA 3.29Å; K251-F312 WeakPolarHBondContact O-CA 3.49Å; K251-K313 HydrophobicContact CB-CB 4.4Å; K251-K313 PolarHBondContact N-O 3.02Å; K251-K313 PolarHBondContact O-N 3.21Å
252	D	95.8	Very high	96.5	Very high	37 Å²	37	46.7 Å²	46.7	20%	0.198	25%	0.252	C	S	.	.			trans	-79.4	-159.3	172.1	64.7	13.8	0	0	0	112.6	E254 G255 I256 I258	D252-E254 WeakPolarHBondContact OD1-CA 3.42Å; D252-E254 PolarHBondContact OD1-N 3.01Å; D252-G255 PolarHBondContact OD1-N 3.44Å; D252-I256 PolarHBondContact N-O 3.39Å; D252-I256 PolarHBondContact OD1-N 3.21Å; D252-I258 HydrophobicContact CB-CD1 4.24Å
253	S	91.6	Very high	96.6	Very high	112 Å²	112	46 Å²	46	78%	0.783	25%	0.249	S	C	*	.	S	Bend	trans	-75.4	-25.5	175.3	41.9	0	0	0	0	114.3
254	E	94	Very high	96.5	Very high	155 Å²	155	45.7 Å²	45.7	72%	0.724	25%	0.251	S	S	*	.	S	Bend	trans	-85.8	-21.4	178.2	-61.6	-174.6	-172.9	0	0	111.4	D252 I256	D252-E254 WeakPolarHBondContact OD1-CA 3.42Å; D252-E254 PolarHBondContact OD1-N 3.01Å; E254-I256 HydrophobicContact CB-CD1 4.31Å; E254-I256 HydrophobicContact CB-CG1 4.21Å
255	G	94.5	Very high	96.3	Very high	31 Å²	31	49.6 Å²	49.6	32%	0.32	27%	0.27	S	S	.	.			trans	101.6	7.5	-179	0	0	0	0	0	113.8	K251 D252	K251-G255 VanDerWaalsContact CD-O 3.31Å; K251-G255 WeakPolarHBondContact CD-O 3.27Å; K251-G255 PolarHBondContact NZ-O 3.06Å; D252-G255 PolarHBondContact OD1-N 3.44Å
256	I	96.2	Very high	96.3	Very high	54 Å²	54	48.8 Å²	48.8	28%	0.277	27%	0.265	S	S	.	.			trans	-69.8	137.3	177.6	-55.6	173.3	0	0	0	108.7	K251 D252 E254	K251-I256 WeakPolarHBondContact CA-O 3.39Å; D252-I256 PolarHBondContact N-O 3.39Å; D252-I256 PolarHBondContact OD1-N 3.21Å; E254-I256 HydrophobicContact CB-CD1 4.31Å; E254-I256 HydrophobicContact CB-CG1 4.21Å
257	D	97.2	Very high	96.3	Very high	105 Å²	105	46.5 Å²	46.5	56%	0.561	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.5	177.8	-69.3	-63.7	0	0	0	111.6	K251	K251-D257 WeakPolarHBondContact CE-OD1 3.26Å; K251-D257 VanDerWaalsContact CG-OD1 3.24Å; K251-D257 WeakPolarHBondContact CG-OD1 3.44Å; K251-D257 IonicContact NZ-OD1 2.8Å; K251-D257 PolarHBondContact NZ-OD1 3.27Å; K251-D257 IonicContact NZ-OD2 2.64Å; K251-D257 PolarHBondContact NZ-OD2 3.25Å
258	I	97.4	Very high	96.4	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.3	-175.6	58.3	161.6	0	0	0	110.6	A250 D252 L260 I269 Y270 R271 F312	A250-I258 HydrophobicContact CB-CD1 4.45Å; A250-I258 HydrophobicContact CB-CG1 4.16Å; A250-I258 PolarHBondContact N-O 3.18Å; A250-I258 WeakPolarHBondContact O-CG1 3.44Å; A250-I258 PolarHBondContact O-N 3.4Å; D252-I258 HydrophobicContact CB-CD1 4.24Å; I258-L260 HydrophobicContact CD1-CD2 3.88Å; I258-L260 HydrophobicContact CD1-CG 4.34Å; I258-I269 HydrophobicContact CB-CG2 4.34Å; I258-I269 HydrophobicContact CD1-CG2 4.03Å; I258-Y270 WeakPolarHBondContact CA-O 3.34Å; I258-Y270 WeakPolarHBondContact CB-O 3.35Å; I258-R271 HydrophobicContact CG2-CB 4.22Å; I258-F312 HydrophobicContact CD1-CD1 3.56Å; I258-F312 HydrophobicContact CD1-CE1 3.8Å
259	M	97.4	Very high	96.4	Very high	44 Å²	44	43.2 Å²	43.2	22%	0.217	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.2	171.4	-58.3	-61.4	-65.5	0	0	110.1	L247 H249 Y270	L247-M259 HydrophobicContact CB-CE 3.84Å; L247-M259 HydrophobicContact CD1-CE 4.4Å; L247-M259 HydrophobicContact CD2-CB 4.15Å; H249-M259 HydrophobicContact CB-SD 4.18Å; H249-M259 PolarHBondContact CD2-SD 3.32Å; M259-Y270 PolarHBondContact N-O 3.05Å; M259-Y270 PolarHBondContact O-N 2.87Å
260	L	97.9	Very high	96.5	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112	173.4	-62.4	177.8	0	0	0	109.1	H248 A250 I258 L268 I269 F294 F312 L323	H248-L260 PolarHBondContact N-O 3.49Å; H248-L260 PolarHBondContact O-N 3.34Å; A250-L260 HydrophobicContact CB-CD1 3.68Å; A250-L260 HydrophobicContact CB-CG 3.92Å; I258-L260 HydrophobicContact CD1-CD2 3.88Å; I258-L260 HydrophobicContact CD1-CG 4.34Å; L260-L268 WeakPolarHBondContact CA-O 3.37Å; L260-I269 HydrophobicContact CD2-CD1 4.21Å; L260-I269 HydrophobicContact CD2-CG1 3.85Å; L260-I269 HydrophobicContact CD2-CG2 4.39Å; L260-F294 HydrophobicContact CD1-CD1 4.19Å; L260-F294 HydrophobicContact CD1-CE1 4.49Å; L260-F312 HydrophobicContact CD1-CB 3.99Å; L260-F312 HydrophobicContact CD1-CD1 4.4Å; L260-F312 HydrophobicContact CD1-CD2 4.23Å; L260-F312 HydrophobicContact CD1-CG 3.93Å; L260-F312 HydrophobicContact CD2-CD1 4.14Å; L260-F312 HydrophobicContact CD2-CE1 4.11Å; L260-F312 HydrophobicContact CD2-CG 4.36Å; L260-F312 HydrophobicContact CD2-CZ 4.32Å; L260-L323 HydrophobicContact CB-CD2 4.35Å; L260-L323 HydrophobicContact CD1-CD2 3.64Å
261	G	97.8	Very high	96.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137.5	174.8	0	0	0	0	0	112.2	D246 L267 L268	D246-G261 CarbonylContact O-C 3.5Å; D246-G261 WeakPolarHBondContact O-CA 3.14Å; G261-L267 CarbonylContact O-C 3.54Å; G261-L267 WeakPolarHBondContact O-CA 3.29Å; G261-L268 PolarHBondContact N-O 3.03Å; G261-L268 PolarHBondContact O-N 3.41Å
262	V	98.3	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	134.2	169.9	-166.6	0	0	0	0	109.4	V245 D246 L267 W281 L323 V326 H330	V245-V262 WeakPolarHBondContact CA-O 3.25Å; D246-V262 HydrophobicContact CB-CB 4.49Å; D246-V262 PolarHBondContact N-O 2.89Å; D246-V262 PolarHBondContact O-N 3.41Å; V262-L267 HydrophobicContact CB-CD2 4.18Å; V262-L267 HydrophobicContact CG1-CD2 3.95Å; V262-L267 HydrophobicContact CG2-CD2 3.79Å; V262-W281 HydrophobicContact CG1-CH2 3.97Å; V262-W281 HydrophobicContact CG1-CZ2 3.98Å; V262-L323 HydrophobicContact CG2-CD1 3.48Å; V262-L323 VanDerWaalsContact CG2-CD1 3.48Å; V262-V326 HydrophobicContact CB-CG1 4.01Å; V262-V326 HydrophobicContact CG1-CG1 3.98Å; V262-V326 HydrophobicContact CG2-CG1 4.09Å; V262-H330 HydrophobicContact CG1-CB 3.98Å
263	S	97.3	Very high	95.5	Very high	8 Å²	8	53.6 Å²	53.6	6%	0.056	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	173.8	-177.8	70.9	0	0	0	0	112.5	N265 G266 L268 W281	S263-N265 PolarHBondContact O-N 3.34Å; S263-N265 PolarHBondContact OG-N 3.31Å; S263-G266 PolarHBondContact N-O 2.73Å; S263-G266 PolarHBondContact O-N 2.93Å; S263-G266 PolarHBondContact OG-N 2.86Å; S263-G266 PolarHBondContact OG-O 2.9Å; S263-L268 WeakPolarHBondContact OG-CD1 3.27Å; S263-W281 WeakPolarHBondContact O-CZ2 3.48Å; S263-W281 PolarHBondContact O-NE1 2.73Å; S263-W281 VanDerWaalsContact O-NE1 3.15Å
264	A	96.7	Very high	95.4	Very high	17 Å²	17	54.3 Å²	54.3	14%	0.14	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.4	166.2	0	0	0	0	0	113.3	P138 W281 F334	P138-A264 HydrophobicContact CB-CB 4.26Å; P138-A264 HydrophobicContact CG-CB 4.3Å; A264-W281 PolarHBondContact O-NE1 3.19Å; A264-W281 VanDerWaalsContact O-NE1 3.1Å; A264-F334 HydrophobicContact CB-CD1 3.8Å; A264-F334 HydrophobicContact CB-CD2 3.87Å; A264-F334 HydrophobicContact CB-CE1 3.65Å; A264-F334 HydrophobicContact CB-CE2 3.71Å; A264-F334 HydrophobicContact CB-CG 3.91Å; A264-F334 HydrophobicContact CB-CZ 3.58Å
265	N	94.3	Very high	95.4	Very high	91 Å²	91	54 Å²	54	49%	0.487	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.1	-170.6	-85.9	-48.1	0	0	0	115.3	S263 R278 A280	S263-N265 PolarHBondContact O-N 3.34Å; S263-N265 PolarHBondContact OG-N 3.31Å; N265-R278 PolarHBondContact O-NH2 3.04Å; N265-A280 WeakPolarHBondContact O-CA 3.36Å
266	G	96.4	Very high	95.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.1	-164.8	-176	0	0	0	0	0	113.6	S263 F279	S263-G266 PolarHBondContact N-O 2.73Å; S263-G266 PolarHBondContact O-N 2.93Å; S263-G266 PolarHBondContact OG-N 2.86Å; S263-G266 PolarHBondContact OG-O 2.9Å; G266-F279 WeakPolarHBondContact CA-O 3.41Å
267	L	97.5	Very high	95.2	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	145.7	168.9	-60.9	176.8	0	0	0	110.3	G261 V262 R278 F279 W281 I284 I287 F294 I296 C327	G261-L267 CarbonylContact O-C 3.54Å; G261-L267 WeakPolarHBondContact O-CA 3.29Å; V262-L267 HydrophobicContact CB-CD2 4.18Å; V262-L267 HydrophobicContact CG1-CD2 3.95Å; V262-L267 HydrophobicContact CG2-CD2 3.79Å; L267-R278 CarbonylContact O-C 3.55Å; L267-R278 WeakPolarHBondContact O-CA 3.49Å; L267-F279 HydrophobicContact CB-CB 4.42Å; L267-F279 PolarHBondContact N-O 3.48Å; L267-F279 PolarHBondContact O-N 3.14Å; L267-W281 HydrophobicContact CD1-CZ3 4.3Å; L267-W281 HydrophobicContact CD2-CH2 3.63Å; L267-W281 HydrophobicContact CD2-CZ3 4.1Å; L267-W281 HydrophobicContact CG-CH2 3.82Å; L267-W281 HydrophobicContact CG-CZ3 3.8Å; L267-I284 HydrophobicContact CD1-CD1 3.91Å; L267-I284 HydrophobicContact CG-CD1 4.09Å; L267-I287 HydrophobicContact CD1-CD1 4.37Å; L267-F294 HydrophobicContact CD1-CE1 4.49Å; L267-F294 HydrophobicContact CD1-CZ 4.38Å; L267-I296 HydrophobicContact CD1-CD1 3.53Å; L267-I296 HydrophobicContact CD1-CG1 4.01Å; L267-C327 HydrophobicContact CD2-CB 4.42Å
268	L	97.3	Very high	95.1	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.3	179.6	-57	93.7	0	0	0	108.6	L260 G261 S263 Y270 N277	L260-L268 WeakPolarHBondContact CA-O 3.37Å; G261-L268 PolarHBondContact N-O 3.03Å; G261-L268 PolarHBondContact O-N 3.41Å; S263-L268 WeakPolarHBondContact OG-CD1 3.27Å; L268-Y270 HydrophobicContact CB-CD2 4.32Å; L268-Y270 HydrophobicContact CB-CE2 3.61Å; L268-Y270 HydrophobicContact CD2-CE2 4.38Å; L268-N277 WeakPolarHBondContact CA-O 3.28Å
269	I	96.3	Very high	95	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.1	171.6	-51.4	-172.2	0	0	0	108	I258 L260 R275 I276 N277 F279 F312	I258-I269 HydrophobicContact CB-CG2 4.34Å; I258-I269 HydrophobicContact CD1-CG2 4.03Å; L260-I269 HydrophobicContact CD2-CD1 4.21Å; L260-I269 HydrophobicContact CD2-CG1 3.85Å; L260-I269 HydrophobicContact CD2-CG2 4.39Å; I269-R275 CarbonylContact O-C 3.53Å; I269-I276 HydrophobicContact CB-CG1 4.04Å; I269-I276 HydrophobicContact CG2-CD1 3.83Å; I269-I276 HydrophobicContact CG2-CG1 3.78Å; I269-I276 WeakPolarHBondContact O-CG1 3.45Å; I269-I276 PolarHBondContact O-N 3.16Å; I269-N277 HydrophobicContact CB-CB 4.14Å; I269-N277 HydrophobicContact CD1-CB 4.35Å; I269-N277 HydrophobicContact CG1-CB 4.29Å; I269-N277 PolarHBondContact N-O 3.31Å; I269-N277 PolarHBondContact O-N 2.9Å; I269-F279 HydrophobicContact CD1-CE2 3.78Å; I269-F279 HydrophobicContact CG1-CE2 4.3Å; I269-F312 HydrophobicContact CD1-CE1 3.72Å; I269-F312 HydrophobicContact CD1-CZ 3.5Å; I269-F312 VanDerWaalsContact CD1-CZ 3.5Å
270	Y	96.4	Very high	94.9	Very high	14 Å²	14	59.1 Å²	59.1	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.4	171.4	-54.4	-108.7	0	0	0	109.8	S241 M242 V245 L247 I258 M259 L268 L274 R275	S241-Y270 PolarHBondContact O-OH 2.94Å; M242-Y270 HydrophobicContact SD-CE1 3.64Å; M242-Y270 HydrophobicContact SD-CE2 4.49Å; M242-Y270 VanDerWaalsContact SD-CZ 3.59Å; M242-Y270 PolarHBondContact SD-OH 2.87Å; M242-Y270 VanDerWaalsContact SD-OH 3.32Å; V245-Y270 HydrophobicContact CG1-CE2 4.18Å; L247-Y270 HydrophobicContact CD2-CD2 4.05Å; L247-Y270 HydrophobicContact CD2-CE2 4.03Å; I258-Y270 WeakPolarHBondContact CA-O 3.34Å; I258-Y270 WeakPolarHBondContact CB-O 3.35Å; M259-Y270 PolarHBondContact N-O 3.05Å; M259-Y270 PolarHBondContact O-N 2.87Å; L268-Y270 HydrophobicContact CB-CD2 4.32Å; L268-Y270 HydrophobicContact CB-CE2 3.61Å; L268-Y270 HydrophobicContact CD2-CE2 4.38Å; Y270-L274 CarbonylContact C-O 3.58Å; Y270-L274 WeakPolarHBondContact CA-O 3.35Å; Y270-L274 WeakPolarHBondContact CB-O 3.24Å; Y270-R275 HydrophobicContact CD1-CB 3.77Å; Y270-R275 HydrophobicContact CD1-CG 4.41Å; Y270-R275 HydrophobicContact CE1-CB 3.71Å; Y270-R275 HydrophobicContact CE1-CG 4.16Å
271	R	93.4	Very high	94.8	Very high	89 Å²	89	59.2 Å²	59.2	34%	0.336	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.9	170.3	169.4	175.2	162.4	-160.9	-17.5	106.7	I258 R273 L274 I276	I258-R271 HydrophobicContact CG2-CB 4.22Å; R271-R273 PolarHBondContact O-N 2.97Å; R271-L274 PolarHBondContact N-O 3.17Å; R271-L274 PolarHBondContact O-N 2.97Å; R271-L274 VanDerWaalsContact O-O 3.04Å; R271-I276 HydrophobicContact CB-CD1 3.88Å; R271-I276 HydrophobicContact CB-CG1 4.36Å; R271-I276 HydrophobicContact CB-CG2 4.1Å
272	D	90.7	Very high	94.5	Very high	115 Å²	115	62.6 Å²	62.6	62%	0.615	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	36.8	178.5	-53.2	-37.5	0	0	0	112.6	L274	D272-L274 PolarHBondContact O-N 2.77Å; D272-L274 VanDerWaalsContact O-N 3.13Å
273	R	87	Confident	94.2	Very high	241 Å²	241	69.2 Å²	69.2	91%	0.909	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	-9.4	-171.9	-50.7	-177.5	-175.9	-163.6	1	116.3	R271	R271-R273 PolarHBondContact O-N 2.97Å
274	L	89	Confident	93.9	Very high	127 Å²	127	69.2 Å²	69.2	67%	0.665	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.2	176	-60.6	177.2	0	0	0	111.9	Y270 R271 D272 I276	Y270-L274 CarbonylContact C-O 3.58Å; Y270-L274 WeakPolarHBondContact CA-O 3.35Å; Y270-L274 WeakPolarHBondContact CB-O 3.24Å; R271-L274 PolarHBondContact N-O 3.17Å; R271-L274 PolarHBondContact O-N 2.97Å; R271-L274 VanDerWaalsContact O-O 3.04Å; D272-L274 PolarHBondContact O-N 2.77Å; D272-L274 VanDerWaalsContact O-N 3.13Å; L274-I276 PolarHBondContact O-N 3.32Å
275	R	94.1	Very high	93.7	Very high	150 Å²	150	71.5 Å²	71.5	57%	0.566	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	99.1	179.2	-177	-168.3	63.3	-156.8	-1.9	110.9	I269 Y270	I269-R275 CarbonylContact O-C 3.53Å; Y270-R275 HydrophobicContact CD1-CB 3.77Å; Y270-R275 HydrophobicContact CD1-CG 4.41Å; Y270-R275 HydrophobicContact CE1-CB 3.71Å; Y270-R275 HydrophobicContact CE1-CG 4.16Å
276	I	93.3	Very high	93.6	Very high	102 Å²	102	73.7 Å²	73.7	52%	0.523	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-24.1	-177.4	62.2	166.5	0	0	0	114.6	I269 R271 L274	I269-I276 HydrophobicContact CB-CG1 4.04Å; I269-I276 HydrophobicContact CG2-CD1 3.83Å; I269-I276 HydrophobicContact CG2-CG1 3.78Å; I269-I276 WeakPolarHBondContact O-CG1 3.45Å; I269-I276 PolarHBondContact O-N 3.16Å; R271-I276 HydrophobicContact CB-CD1 3.88Å; R271-I276 HydrophobicContact CB-CG1 4.36Å; R271-I276 HydrophobicContact CB-CG2 4.1Å; L274-I276 PolarHBondContact O-N 3.32Å
277	N	93.6	Very high	93.5	Very high	74 Å²	74	74.5 Å²	74.5	40%	0.396	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.9	-179.3	-150.2	-39.4	0	0	0	113.4	L268 I269 F279	L268-N277 WeakPolarHBondContact CA-O 3.28Å; I269-N277 HydrophobicContact CB-CB 4.14Å; I269-N277 HydrophobicContact CD1-CB 4.35Å; I269-N277 HydrophobicContact CG1-CB 4.29Å; I269-N277 PolarHBondContact N-O 3.31Å; I269-N277 PolarHBondContact O-N 2.9Å; N277-F279 HydrophobicContact CB-CE2 4.25Å
278	R	95.3	Very high	93.4	Very high	129 Å²	129	76.3 Å²	76.3	49%	0.487	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	116.9	176.4	-179.8	-171.2	169.7	-155	-3.1	111.7	N265 L267	N265-R278 PolarHBondContact O-NH2 3.04Å; L267-R278 CarbonylContact O-C 3.55Å; L267-R278 WeakPolarHBondContact O-CA 3.49Å
279	F	94.8	Very high	93.3	Very high	20 Å²	20	78 Å²	78	9%	0.088	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	93.7	171.3	-58.2	-75.8	0	0	0	110.4	G266 L267 I269 N277 I284 I296 I298 I310	G266-F279 WeakPolarHBondContact CA-O 3.41Å; L267-F279 HydrophobicContact CB-CB 4.42Å; L267-F279 PolarHBondContact N-O 3.48Å; L267-F279 PolarHBondContact O-N 3.14Å; I269-F279 HydrophobicContact CD1-CE2 3.78Å; I269-F279 HydrophobicContact CG1-CE2 4.3Å; N277-F279 HydrophobicContact CB-CE2 4.25Å; F279-I284 HydrophobicContact CB-CD1 3.96Å; F279-I284 HydrophobicContact CB-CG1 4.12Å; F279-I296 HydrophobicContact CD2-CD1 4.4Å; F279-I298 HydrophobicContact CB-CD1 4.32Å; F279-I298 HydrophobicContact CD1-CD1 3.44Å; F279-I298 VanDerWaalsContact CD1-CD1 3.44Å; F279-I298 HydrophobicContact CD1-CG1 4.13Å; F279-I298 HydrophobicContact CE1-CD1 3.99Å; F279-I298 HydrophobicContact CE1-CG1 4.21Å; F279-I298 HydrophobicContact CG-CD1 3.98Å; F279-I310 HydrophobicContact CE1-CD1 3.61Å; F279-I310 HydrophobicContact CE2-CD1 4.02Å; F279-I310 HydrophobicContact CZ-CD1 3.27Å
280	A	95.3	Very high	93.2	Very high	24 Å²	24	84.5 Å²	84.5	20%	0.198	39%	0.389	C	S	.	.			trans	-61.5	142	175.4	0	0	0	0	0	111.4	N265 P282 K283	N265-A280 WeakPolarHBondContact O-CA 3.36Å; A280-P282 VanDerWaalsContact C-N 3.32Å; A280-P282 VanDerWaalsContact O-N 3.1Å; A280-K283 PolarHBondContact O-N 3.43Å
281	W	95.3	Very high	93.1	Very high	9 Å²	9	93.5 Å²	93.5	3%	0.034	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-47.7	-41.6	-175.1	-67.2	129.5	0	0	0	115.3	V262 S263 A264 L267 K283 I284 I287 C327 H330 H331 R335	V262-W281 HydrophobicContact CG1-CH2 3.97Å; V262-W281 HydrophobicContact CG1-CZ2 3.98Å; S263-W281 WeakPolarHBondContact O-CZ2 3.48Å; S263-W281 PolarHBondContact O-NE1 2.73Å; S263-W281 VanDerWaalsContact O-NE1 3.15Å; A264-W281 PolarHBondContact O-NE1 3.19Å; A264-W281 VanDerWaalsContact O-NE1 3.1Å; L267-W281 HydrophobicContact CD1-CZ3 4.3Å; L267-W281 HydrophobicContact CD2-CH2 3.63Å; L267-W281 HydrophobicContact CD2-CZ3 4.1Å; L267-W281 HydrophobicContact CG-CH2 3.82Å; L267-W281 HydrophobicContact CG-CZ3 3.8Å; W281-K283 VanDerWaalsContact C-N 3.3Å; W281-K283 PolarHBondContact O-N 3.18Å; W281-I284 HydrophobicContact CE3-CD1 3.78Å; W281-I284 HydrophobicContact CZ3-CD1 3.92Å; W281-I284 PolarHBondContact O-N 2.76Å; W281-I284 VanDerWaalsContact O-N 3.17Å; W281-I287 HydrophobicContact CZ3-CD1 3.77Å; W281-C327 HydrophobicContact CH2-CB 4.24Å; W281-H330 HydrophobicContact CH2-CB 4.44Å; W281-H330 HydrophobicContact CZ2-CB 3.75Å; W281-H331 HydrophobicContact CD2-CB 4.21Å; W281-H331 HydrophobicContact CE3-CB 4.02Å; W281-H331 AromaticContact CE3-CD2 3.85Å; W281-H331 HydrophobicContact CZ3-CB 4.23Å; W281-R335 HydrophobicContact CB-CB 4.44Å; W281-R335 HydrophobicContact CB-CG 4.36Å
282	P	91.9	Very high	93.3	Very high	71 Å²	71	90.8 Å²	90.8	46%	0.461	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-60.7	-32.9	177.2	-23.9	35.1	0	0	0	114.5	A280 I284 R299	A280-P282 VanDerWaalsContact C-N 3.32Å; A280-P282 VanDerWaalsContact O-N 3.1Å; P282-I284 VanDerWaalsContact C-N 3.26Å; P282-I284 PolarHBondContact O-N 3.13Å; P282-R299 VanDerWaalsContact O-CD 3.23Å; P282-R299 WeakPolarHBondContact O-CD 3.37Å; P282-R299 PolarHBondContact O-NE 2.8Å
283	K	91.6	Very high	93.6	Very high	139 Å²	139	87.6 Å²	87.6	60%	0.604	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-75	-11	179.1	-69.2	-162.7	175	-167.2	0	113	A280 W281 I298 R299	A280-K283 PolarHBondContact O-N 3.43Å; W281-K283 VanDerWaalsContact C-N 3.3Å; W281-K283 PolarHBondContact O-N 3.18Å; K283-I298 CarbonylContact O-C 3.57Å; K283-I298 WeakPolarHBondContact O-CA 3.29Å; K283-R299 PolarHBondContact O-N 3.06Å
284	I	92.9	Very high	94.1	Very high	9 Å²	9	76.2 Å²	76.2	5%	0.046	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.7	-179.2	-63.3	169.2	0	0	0	109.7	L267 F279 W281 P282 I287 I296 I298	L267-I284 HydrophobicContact CD1-CD1 3.91Å; L267-I284 HydrophobicContact CG-CD1 4.09Å; F279-I284 HydrophobicContact CB-CD1 3.96Å; F279-I284 HydrophobicContact CB-CG1 4.12Å; W281-I284 HydrophobicContact CE3-CD1 3.78Å; W281-I284 HydrophobicContact CZ3-CD1 3.92Å; W281-I284 PolarHBondContact O-N 2.76Å; W281-I284 VanDerWaalsContact O-N 3.17Å; P282-I284 VanDerWaalsContact C-N 3.26Å; P282-I284 PolarHBondContact O-N 3.13Å; I284-I287 HydrophobicContact CG2-CD1 4.12Å; I284-I287 HydrophobicContact CG2-CG1 3.63Å; I284-I296 HydrophobicContact CB-CG2 4.47Å; I284-I296 HydrophobicContact CD1-CG2 4.14Å; I284-I296 HydrophobicContact CG1-CG2 3.9Å; I284-I296 HydrophobicContact CG2-CG2 3.85Å; I284-I298 HydrophobicContact CG1-CD1 4.12Å
285	L	90.8	Very high	94.5	Very high	65 Å²	65	73.6 Å²	73.6	34%	0.34	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-44.2	171.3	-80.2	176.5	0	0	0	112.2	K297 I298 R299 E307	L285-K297 HydrophobicContact CB-CB 4.35Å; L285-K297 HydrophobicContact CB-CG 4.43Å; L285-K297 HydrophobicContact CD1-CG 4.46Å; L285-K297 PolarHBondContact N-O 2.96Å; L285-I298 WeakPolarHBondContact CD1-O 3.37Å; L285-R299 HydrophobicContact CD1-CG 4.4Å; L285-R299 HydrophobicContact CD2-CG 3.61Å; L285-R299 HydrophobicContact CG-CB 4.31Å; L285-R299 HydrophobicContact CG-CG 3.56Å; L285-E307 HydrophobicContact CD1-CB 4.3Å; L285-E307 HydrophobicContact CD1-CG 3.92Å; L285-E307 VanDerWaalsContact CD1-OE1 3.22Å; L285-E307 WeakPolarHBondContact CD1-OE1 3.32Å
286	K	92	Very high	94.6	Very high	136 Å²	136	66.6 Å²	66.6	59%	0.591	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.7	140.7	-168.5	-171.6	174.9	-179	176.8	0	111.7	K297	K286-K297 HydrophobicContact CB-CB 4.02Å; K286-K297 PolarHBondContact N-O 2.81Å; K286-K297 PolarHBondContact O-N 2.88Å
287	I	95	Very high	94.6	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.087	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.7	174.8	-47.8	179.3	0	0	0	108.7	L267 W281 I284 F294 W324 C327	L267-I287 HydrophobicContact CD1-CD1 4.37Å; W281-I287 HydrophobicContact CZ3-CD1 3.77Å; I284-I287 HydrophobicContact CG2-CD1 4.12Å; I284-I287 HydrophobicContact CG2-CG1 3.63Å; I287-F294 HydrophobicContact CG2-CD2 4.35Å; I287-F294 HydrophobicContact CG2-CE1 4.46Å; I287-F294 HydrophobicContact CG2-CE2 3.29Å; I287-F294 HydrophobicContact CG2-CZ 3.36Å; I287-W324 PolarHBondContact O-NE1 3.24Å; I287-W324 VanDerWaalsContact O-NE1 3.15Å; I287-C327 HydrophobicContact CD1-CB 3.69Å; I287-C327 HydrophobicContact CG2-CB 4.25Å
288	S	95	Very high	94.6	Very high	46 Å²	46	61.7 Å²	61.7	32%	0.322	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	167.7	-177.7	65.3	0	0	0	0	112.6	Y295	S288-Y295 PolarHBondContact N-O 2.83Å; S288-Y295 PolarHBondContact O-N 2.88Å
289	Y	96.3	Very high	94.2	Very high	48 Å²	48	62 Å²	62	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.5	176.4	73.6	-72.3	0	0	0	110.6	N293 H317 K321 W324	Y289-N293 CarbonylContact C-O 3.59Å; Y289-N293 WeakPolarHBondContact CA-O 3.41Å; Y289-N293 WeakPolarHBondContact CB-O 3.45Å; Y289-H317 AromaticContact CE2-CD2 3.79Å; Y289-H317 AromaticContact CE2-NE2 3.65Å; Y289-K321 HydrophobicContact CD2-CB 4.23Å; Y289-K321 HydrophobicContact CE2-CB 3.64Å; Y289-K321 HydrophobicContact CE2-CD 4.23Å; Y289-K321 HydrophobicContact CE2-CG 3.97Å; Y289-K321 WeakPolarHBondContact OH-CD 3.42Å; Y289-K321 WeakPolarHBondContact OH-CG 3.42Å; Y289-W324 HydrophobicContact CD1-CB 3.58Å; Y289-W324 AromaticContact CD1-CD1 3.73Å; Y289-W324 AromaticContact CD1-CD2 3.6Å; Y289-W324 HydrophobicContact CD1-CD2 3.6Å; Y289-W324 HydrophobicContact CD1-CE3 4.15Å; Y289-W324 AromaticContact CD1-CG 3.3Å; Y289-W324 HydrophobicContact CD1-CG 3.3Å; Y289-W324 HydrophobicContact CE1-CB 4.16Å; Y289-W324 AromaticContact CE1-CD2 3.49Å; Y289-W324 HydrophobicContact CE1-CD2 3.49Å; Y289-W324 VanDerWaalsContact CE1-CD2 3.49Å; Y289-W324 AromaticContact CE1-CE3 3.59Å; Y289-W324 HydrophobicContact CE1-CE3 3.59Å; Y289-W324 AromaticContact CE1-CG 3.74Å; Y289-W324 HydrophobicContact CE1-CG 3.74Å; Y289-W324 HydrophobicContact CE1-CZ3 4.3Å; Y289-W324 HydrophobicContact CG-CB 4.12Å; Y289-W324 HydrophobicContact CG-CG 4.27Å
290	K	94.5	Very high	93.8	Very high	150 Å²	150	63.5 Å²	63.5	65%	0.652	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.2	118.3	178.7	-175.8	-178	178.8	-175.6	0	109.1	S292 N293 Y295	K290-S292 PolarHBondContact O-N 2.86Å; K290-N293 PolarHBondContact N-O 3.45Å; K290-N293 WeakPolarHBondContact O-CB 3.4Å; K290-N293 PolarHBondContact O-N 2.8Å; K290-Y295 HydrophobicContact CB-CE2 4.27Å
291	R	94.1	Very high	93.1	Very high	202 Å²	202	64.2 Å²	64.2	76%	0.762	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-131.2	-168.8	-57.4	177.4	175.9	168	-4.1	109.7	N293 H317 S320	R291-N293 PolarHBondContact O-N 2.91Å; R291-H317 WeakPolarHBondContact O-CA 3.45Å; R291-H317 WeakPolarHBondContact O-CB 3.47Å; R291-H317 PolarHBondContact O-CD2 2.86Å; R291-S320 PolarHBondContact O-OG 3.28Å
292	S	96.5	Very high	92.3	Very high	33 Å²	33	72.5 Å²	72.5	23%	0.231	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.7	172.8	43.9	0	0	0	0	114.7	K290 L314 S320	K290-S292 PolarHBondContact O-N 2.86Å; S292-L314 WeakPolarHBondContact CB-O 3.22Å; S292-L314 PolarHBondContact O-N 3Å; S292-S320 VanDerWaalsContact CA-OG 3.24Å; S292-S320 WeakPolarHBondContact CA-OG 3.21Å; S292-S320 PolarHBondContact O-OG 2.95Å
293	N	97.5	Very high	91.4	Very high	48 Å²	48	79.5 Å²	79.5	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	141	-165.9	-56.4	5.2	0	0	0	111.1	Y289 K290 R291 Y295 F312	Y289-N293 CarbonylContact C-O 3.59Å; Y289-N293 WeakPolarHBondContact CA-O 3.41Å; Y289-N293 WeakPolarHBondContact CB-O 3.45Å; K290-N293 PolarHBondContact N-O 3.45Å; K290-N293 WeakPolarHBondContact O-CB 3.4Å; K290-N293 PolarHBondContact O-N 2.8Å; R291-N293 PolarHBondContact O-N 2.91Å; N293-Y295 HydrophobicContact CB-CD2 4.48Å; N293-Y295 HydrophobicContact CB-CE2 3.55Å; N293-Y295 WeakPolarHBondContact CB-OH 3.15Å; N293-Y295 PolarHBondContact ND2-OH 2.93Å; N293-Y295 VanDerWaalsContact ND2-OH 3.1Å; N293-F312 CarbonylContact C-O 3.5Å; N293-F312 VanDerWaalsContact CA-O 3.23Å; N293-F312 WeakPolarHBondContact CA-O 3.24Å
294	F	98.1	Very high	90.8	Very high	2 Å²	2	77.8 Å²	77.8	1%	0.009	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.4	177.3	174.8	-102.5	0	0	0	108.6	L260 L267 I287 I296 G311 F312 L314 L323 W324	L260-F294 HydrophobicContact CD1-CD1 4.19Å; L260-F294 HydrophobicContact CD1-CE1 4.49Å; L267-F294 HydrophobicContact CD1-CE1 4.49Å; L267-F294 HydrophobicContact CD1-CZ 4.38Å; I287-F294 HydrophobicContact CG2-CD2 4.35Å; I287-F294 HydrophobicContact CG2-CE1 4.46Å; I287-F294 HydrophobicContact CG2-CE2 3.29Å; I287-F294 HydrophobicContact CG2-CZ 3.36Å; F294-I296 HydrophobicContact CD1-CG1 4.41Å; F294-I296 HydrophobicContact CE1-CD1 4.17Å; F294-I296 HydrophobicContact CE1-CG1 3.73Å; F294-I296 HydrophobicContact CZ-CG1 4.35Å; F294-G311 WeakPolarHBondContact O-CA 3.43Å; F294-F312 AromaticContact CD1-CD2 3.96Å; F294-F312 HydrophobicContact CD1-CD2 3.96Å; F294-F312 PolarHBondContact N-O 2.8Å; F294-F312 PolarHBondContact O-N 3.29Å; F294-L314 HydrophobicContact CB-CD1 3.51Å; F294-L314 HydrophobicContact CG-CD1 4.34Å; F294-L323 HydrophobicContact CB-CD2 4.5Å; F294-L323 HydrophobicContact CD1-CD2 3.68Å; F294-L323 HydrophobicContact CD2-CD2 4Å; F294-L323 HydrophobicContact CD2-CG 4.19Å; F294-L323 HydrophobicContact CE1-CD2 3.74Å; F294-L323 HydrophobicContact CE1-CG 4.29Å; F294-L323 HydrophobicContact CE2-CD2 4.04Å; F294-L323 HydrophobicContact CE2-CG 3.89Å; F294-L323 HydrophobicContact CG-CD2 3.82Å; F294-L323 HydrophobicContact CZ-CD2 3.92Å; F294-L323 HydrophobicContact CZ-CG 3.95Å; F294-W324 HydrophobicContact CD2-CB 4.31Å; F294-W324 HydrophobicContact CE2-CB 4.21Å
295	Y	97.1	Very high	89.7	Confident	72 Å²	72	85.6 Å²	85.6	28%	0.282	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.9	-171.5	-60.1	-83.8	0	0	0	111.2	S288 K290 N293 I310	S288-Y295 PolarHBondContact N-O 2.83Å; S288-Y295 PolarHBondContact O-N 2.88Å; K290-Y295 HydrophobicContact CB-CE2 4.27Å; N293-Y295 HydrophobicContact CB-CD2 4.48Å; N293-Y295 HydrophobicContact CB-CE2 3.55Å; N293-Y295 WeakPolarHBondContact CB-OH 3.15Å; N293-Y295 PolarHBondContact ND2-OH 2.93Å; N293-Y295 VanDerWaalsContact ND2-OH 3.1Å; Y295-I310 WeakPolarHBondContact CA-O 3.26Å
296	I	95.9	Very high	88.7	Confident	2 Å²	2	90.2 Å²	90.2	1%	0.01	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.1	173	-43.6	170.6	0	0	0	107.6	L267 F279 I284 F294 I298 T309 I310 F312	L267-I296 HydrophobicContact CD1-CD1 3.53Å; L267-I296 HydrophobicContact CD1-CG1 4.01Å; F279-I296 HydrophobicContact CD2-CD1 4.4Å; I284-I296 HydrophobicContact CB-CG2 4.47Å; I284-I296 HydrophobicContact CD1-CG2 4.14Å; I284-I296 HydrophobicContact CG1-CG2 3.9Å; I284-I296 HydrophobicContact CG2-CG2 3.85Å; F294-I296 HydrophobicContact CD1-CG1 4.41Å; F294-I296 HydrophobicContact CE1-CD1 4.17Å; F294-I296 HydrophobicContact CE1-CG1 3.73Å; F294-I296 HydrophobicContact CZ-CG1 4.35Å; I296-I298 HydrophobicContact CB-CD1 4.42Å; I296-I298 HydrophobicContact CG2-CD1 3.58Å; I296-T309 CarbonylContact O-C 3.46Å; I296-T309 WeakPolarHBondContact O-CA 3.41Å; I296-I310 PolarHBondContact N-O 2.95Å; I296-I310 PolarHBondContact O-N 3.17Å; I296-F312 HydrophobicContact CD1-CD2 4.47Å; I296-F312 HydrophobicContact CD1-CE2 3.67Å; I296-F312 HydrophobicContact CD1-CZ 4.47Å; I296-F312 HydrophobicContact CG1-CE2 4.06Å
297	K	94.1	Very high	88.3	Confident	56 Å²	56	88.3 Å²	88.3	24%	0.243	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.4	168.3	-161.7	175.3	-153.9	-156.1	0	108.7	L285 K286 E307	L285-K297 HydrophobicContact CB-CB 4.35Å; L285-K297 HydrophobicContact CB-CG 4.43Å; L285-K297 HydrophobicContact CD1-CG 4.46Å; L285-K297 PolarHBondContact N-O 2.96Å; K286-K297 HydrophobicContact CB-CB 4.02Å; K286-K297 PolarHBondContact N-O 2.81Å; K286-K297 PolarHBondContact O-N 2.88Å; K297-E307 HydrophobicContact CD-CB 4.26Å; K297-E307 VanDerWaalsContact CE-CB 3.43Å; K297-E307 WeakPolarHBondContact CE-OE1 3.12Å; K297-E307 HydrophobicContact CG-CB 4.26Å; K297-E307 IonicContact NZ-OE1 2.78Å; K297-E307 PolarHBondContact NZ-OE1 3.47Å; K297-E307 IonicContact NZ-OE2 3.25Å; K297-E307 PolarHBondContact NZ-OE2 2.94Å
298	I	92	Very high	88	Confident	17 Å²	17	90.3 Å²	90.3	9%	0.087	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	149.2	-177.6	-54.2	-57.7	0	0	0	108.8	F279 K283 I284 L285 I296 S308 I310	F279-I298 HydrophobicContact CB-CD1 4.32Å; F279-I298 HydrophobicContact CD1-CD1 3.44Å; F279-I298 VanDerWaalsContact CD1-CD1 3.44Å; F279-I298 HydrophobicContact CD1-CG1 4.13Å; F279-I298 HydrophobicContact CE1-CD1 3.99Å; F279-I298 HydrophobicContact CE1-CG1 4.21Å; F279-I298 HydrophobicContact CG-CD1 3.98Å; K283-I298 CarbonylContact O-C 3.57Å; K283-I298 WeakPolarHBondContact O-CA 3.29Å; I284-I298 HydrophobicContact CG1-CD1 4.12Å; L285-I298 WeakPolarHBondContact CD1-O 3.37Å; I296-I298 HydrophobicContact CB-CD1 4.42Å; I296-I298 HydrophobicContact CG2-CD1 3.58Å; I298-S308 PolarHBondContact N-O 3.39Å; I298-I310 HydrophobicContact CG1-CD1 4.11Å; I298-I310 HydrophobicContact CG1-CG1 4.45Å
299	R	88	Confident	87.9	Confident	137 Å²	137	92.1 Å²	92.1	52%	0.517	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-66.5	133.8	168.5	-72.5	-176.7	-170.7	-85.3	-11.2	108.3	P282 K283 L285	P282-R299 VanDerWaalsContact O-CD 3.23Å; P282-R299 WeakPolarHBondContact O-CD 3.37Å; P282-R299 PolarHBondContact O-NE 2.8Å; K283-R299 PolarHBondContact O-N 3.06Å; L285-R299 HydrophobicContact CD1-CG 4.4Å; L285-R299 HydrophobicContact CD2-CG 3.61Å; L285-R299 HydrophobicContact CG-CB 4.31Å; L285-R299 HydrophobicContact CG-CG 3.56Å
300	P	86.3	Confident	87.8	Confident	50 Å²	50	92.4 Å²	92.4	33%	0.325	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-53.8	144.2	162.9	22.3	-30.4	0	0	0	110	E304 E307	P300-E304 WeakPolarHBondContact CA-OE2 3.31Å; P300-E304 HydrophobicContact CB-CB 3.7Å; P300-E304 WeakPolarHBondContact CB-O 3.43Å; P300-E307 HydrophobicContact CG-CG 4.49Å
301	G	80	Confident	87.9	Confident	39 Å²	39	86.3 Å²	86.3	40%	0.402	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-61.5	170.1	159.9	0	0	0	0	0	111.6	Y303 E304	G301-Y303 PolarHBondContact O-N 2.91Å; G301-Y303 VanDerWaalsContact O-N 3.12Å; G301-E304 PolarHBondContact N-OE2 3.13Å; G301-E304 PolarHBondContact O-N 2.98Å
302	E	77.7	Confident	88	Confident	184 Å²	184	77.1 Å²	77.1	86%	0.86	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.7	-173.5	-166.9	153.2	-164.6	0	0	113.6
303	Y	74	Confident	88.1	Confident	217 Å²	217	81.4 Å²	81.4	85%	0.851	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.3	176.9	-52.1	-77.4	0	0	0	113.9	G301	G301-Y303 PolarHBondContact O-N 2.91Å; G301-Y303 VanDerWaalsContact O-N 3.12Å
304	E	79.6	Confident	88.1	Confident	103 Å²	103	79.2 Å²	79.2	48%	0.481	38%	0.383	S	S	.	.			trans	-83.4	126	178.9	-68	-175.4	130.1	0	0	110.7	P300 G301	P300-E304 WeakPolarHBondContact CA-OE2 3.31Å; P300-E304 HydrophobicContact CB-CB 3.7Å; P300-E304 WeakPolarHBondContact CB-O 3.43Å; G301-E304 PolarHBondContact N-OE2 3.13Å; G301-E304 PolarHBondContact O-N 2.98Å
305	Q	69.9	Low	87.9	Confident	173 Å²	173	84 Å²	84	81%	0.808	42%	0.415	S	S	*	.			trans	-84.6	-7.6	177.7	-62.7	-174.1	9.6	0	0	113.9
306	F	70.1	Confident	87.8	Confident	162 Å²	162	84 Å²	84	71%	0.711	42%	0.419	S	S	*	.	S	Bend	trans	-128.6	137	-168.5	-59.6	-70.1	0	0	0	113.5	S308	F306-S308 PolarHBondContact O-N 2.88Å; F306-S308 VanDerWaalsContact O-N 3.14Å
307	E	82.8	Confident	87.7	Confident	96 Å²	96	88.5 Å²	88.5	45%	0.449	44%	0.44	S	S	.	.			trans	-82.2	89.4	-178.2	-57.4	164.8	85.1	0	0	112.2	L285 K297 P300 T309	L285-E307 HydrophobicContact CD1-CB 4.3Å; L285-E307 HydrophobicContact CD1-CG 3.92Å; L285-E307 VanDerWaalsContact CD1-OE1 3.22Å; L285-E307 WeakPolarHBondContact CD1-OE1 3.32Å; K297-E307 HydrophobicContact CD-CB 4.26Å; K297-E307 VanDerWaalsContact CE-CB 3.43Å; K297-E307 WeakPolarHBondContact CE-OE1 3.12Å; K297-E307 HydrophobicContact CG-CB 4.26Å; K297-E307 IonicContact NZ-OE1 2.78Å; K297-E307 PolarHBondContact NZ-OE1 3.47Å; K297-E307 IonicContact NZ-OE2 3.25Å; K297-E307 PolarHBondContact NZ-OE2 2.94Å; P300-E307 HydrophobicContact CG-CG 4.49Å; E307-T309 PolarHBondContact O-N 2.93Å; E307-T309 PolarHBondContact O-OG1 3.36Å
308	S	87.5	Confident	87.6	Confident	59 Å²	59	88.9 Å²	88.9	41%	0.413	44%	0.44	S	S	.	.			trans	-49.1	128.7	177.9	-74.2	0	0	0	0	113.4	I298 F306	I298-S308 PolarHBondContact N-O 3.39Å; F306-S308 PolarHBondContact O-N 2.88Å; F306-S308 VanDerWaalsContact O-N 3.14Å
309	T	93.8	Very high	87.7	Confident	84 Å²	84	88.4 Å²	88.4	52%	0.515	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	111.8	-177.8	-58.1	0	0	0	0	110.7	I296 E307	I296-T309 CarbonylContact O-C 3.46Å; I296-T309 WeakPolarHBondContact O-CA 3.41Å; E307-T309 PolarHBondContact O-N 2.93Å; E307-T309 PolarHBondContact O-OG1 3.36Å
310	I	94	Very high	88	Confident	55 Å²	55	81.9 Å²	81.9	28%	0.282	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.9	-175.9	-44.9	175.9	0	0	0	109.3	F279 Y295 I296 I298 F312	F279-I310 HydrophobicContact CE1-CD1 3.61Å; F279-I310 HydrophobicContact CE2-CD1 4.02Å; F279-I310 HydrophobicContact CZ-CD1 3.27Å; Y295-I310 WeakPolarHBondContact CA-O 3.26Å; I296-I310 PolarHBondContact N-O 2.95Å; I296-I310 PolarHBondContact O-N 3.17Å; I298-I310 HydrophobicContact CG1-CD1 4.11Å; I298-I310 HydrophobicContact CG1-CG1 4.45Å; I310-F312 HydrophobicContact CB-CE2 4.15Å; I310-F312 HydrophobicContact CB-CZ 4.25Å; I310-F312 HydrophobicContact CG2-CE1 4.1Å; I310-F312 HydrophobicContact CG2-CE2 3.71Å; I310-F312 HydrophobicContact CG2-CZ 3.37Å
311	G	96	Very high	88.4	Confident	21 Å²	21	83.8 Å²	83.8	22%	0.216	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.9	-175	0	0	0	0	0	113.3	F294	F294-G311 WeakPolarHBondContact O-CA 3.43Å
312	F	98	Very high	89	Confident	9 Å²	9	84.7 Å²	84.7	4%	0.039	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.4	-178.6	-54.2	-78.4	0	0	0	110.7	K251 I258 L260 I269 N293 F294 I296 I310	K251-F312 CarbonylContact O-C 3.5Å; K251-F312 VanDerWaalsContact O-CA 3.29Å; K251-F312 WeakPolarHBondContact O-CA 3.49Å; I258-F312 HydrophobicContact CD1-CD1 3.56Å; I258-F312 HydrophobicContact CD1-CE1 3.8Å; L260-F312 HydrophobicContact CD1-CB 3.99Å; L260-F312 HydrophobicContact CD1-CD1 4.4Å; L260-F312 HydrophobicContact CD1-CD2 4.23Å; L260-F312 HydrophobicContact CD1-CG 3.93Å; L260-F312 HydrophobicContact CD2-CD1 4.14Å; L260-F312 HydrophobicContact CD2-CE1 4.11Å; L260-F312 HydrophobicContact CD2-CG 4.36Å; L260-F312 HydrophobicContact CD2-CZ 4.32Å; I269-F312 HydrophobicContact CD1-CE1 3.72Å; I269-F312 HydrophobicContact CD1-CZ 3.5Å; I269-F312 VanDerWaalsContact CD1-CZ 3.5Å; N293-F312 CarbonylContact C-O 3.5Å; N293-F312 VanDerWaalsContact CA-O 3.23Å; N293-F312 WeakPolarHBondContact CA-O 3.24Å; F294-F312 AromaticContact CD1-CD2 3.96Å; F294-F312 HydrophobicContact CD1-CD2 3.96Å; F294-F312 PolarHBondContact N-O 2.8Å; F294-F312 PolarHBondContact O-N 3.29Å; I296-F312 HydrophobicContact CD1-CD2 4.47Å; I296-F312 HydrophobicContact CD1-CE2 3.67Å; I296-F312 HydrophobicContact CD1-CZ 4.47Å; I296-F312 HydrophobicContact CG1-CE2 4.06Å; I310-F312 HydrophobicContact CB-CE2 4.15Å; I310-F312 HydrophobicContact CB-CZ 4.25Å; I310-F312 HydrophobicContact CG2-CE1 4.1Å; I310-F312 HydrophobicContact CG2-CE2 3.71Å; I310-F312 HydrophobicContact CG2-CZ 3.37Å
313	K	98.1	Very high	89.9	Confident	123 Å²	123	76 Å²	76	54%	0.535	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.7	-178.5	-179	-176.4	176.9	-173.1	0	109.6	K251	K251-K313 HydrophobicContact CB-CB 4.4Å; K251-K313 PolarHBondContact N-O 3.02Å; K251-K313 PolarHBondContact O-N 3.21Å
314	L	97.3	Very high	91	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.016	33%	0.331	C	S	.	.			trans	-88.8	159.2	175.3	-73.4	88.9	0	0	0	110.8	H248 A250 S292 F294 N316 A319 L323	H248-L314 HydrophobicContact CB-CD2 4.48Å; A250-L314 HydrophobicContact CB-CD1 4.29Å; A250-L314 HydrophobicContact CB-CG 3.99Å; S292-L314 WeakPolarHBondContact CB-O 3.22Å; S292-L314 PolarHBondContact O-N 3Å; F294-L314 HydrophobicContact CB-CD1 3.51Å; F294-L314 HydrophobicContact CG-CD1 4.34Å; L314-N316 PolarHBondContact O-N 3.46Å; L314-A319 HydrophobicContact CB-CB 4.04Å; L314-A319 HydrophobicContact CD2-CB 4.04Å; L314-L323 HydrophobicContact CD1-CD2 4.04Å; L314-L323 HydrophobicContact CD2-CB 4.03Å; L314-L323 HydrophobicContact CD2-CD2 3.86Å
315	P	94.7	Very high	91.7	Very high	102 Å²	102	64 Å²	64	66%	0.662	32%	0.318	S	S	*	.	S	Bend	trans	-53.1	-32.5	-174.2	-30.9	36.2	0	0	0	115.2	H249	H249-P315 WeakPolarHBondContact O-CD 3.37Å
316	N	94.4	Very high	93	Very high	71 Å²	71	56.1 Å²	56.1	38%	0.38	28%	0.282	S	S	.	.	S	Bend	trans	-158.1	168.2	174.8	62.3	62	0	0	0	112	L314 R318 A319 S320	L314-N316 PolarHBondContact O-N 3.46Å; N316-R318 PolarHBondContact O-N 2.78Å; N316-R318 VanDerWaalsContact OD1-CA 3.31Å; N316-R318 WeakPolarHBondContact OD1-CA 3.34Å; N316-R318 WeakPolarHBondContact OD1-CB 3.37Å; N316-R318 PolarHBondContact OD1-N 3.48Å; N316-A319 WeakPolarHBondContact O-CB 2.99Å; N316-A319 PolarHBondContact O-N 2.9Å; N316-A319 VanDerWaalsContact O-N 3.08Å; N316-A319 PolarHBondContact OD1-N 3.04Å; N316-S320 PolarHBondContact O-N 3Å; N316-S320 VanDerWaalsContact O-N 3.14Å; N316-S320 PolarHBondContact O-OG 3.02Å
317	H	93.5	Very high	94.3	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-25.2	178.1	164	-114.5	0	0	0	114.5	Y289 R291 K321	Y289-H317 AromaticContact CE2-CD2 3.79Å; Y289-H317 AromaticContact CE2-NE2 3.65Å; R291-H317 WeakPolarHBondContact O-CA 3.45Å; R291-H317 WeakPolarHBondContact O-CB 3.47Å; R291-H317 PolarHBondContact O-CD2 2.86Å; H317-K321 WeakPolarHBondContact O-CB 3.41Å; H317-K321 PolarHBondContact O-N 2.73Å; H317-K321 VanDerWaalsContact O-N 3.14Å
318	R	91.4	Very high	94.9	Very high	65 Å²	65	45.5 Å²	45.5	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-47.7	173.8	-157.7	-172.1	-155.4	169.5	10.9	109.6	D104 D106 N316 K321 R322	D104-R318 VanDerWaalsContact CG-NH1 3.34Å; D104-R318 IonicContact OD1-CZ 3.25Å; D104-R318 IonicContact OD1-NH1 3.72Å; D104-R318 PolarHBondContact OD1-NH1 2.74Å; D104-R318 IonicContact OD1-NH2 3.69Å; D104-R318 PolarHBondContact OD1-NH2 3.2Å; D104-R318 IonicContact OD2-CZ 2.74Å; D104-R318 VanDerWaalsContact OD2-CZ 3.25Å; D104-R318 IonicContact OD2-NH1 3.3Å; D104-R318 IonicContact OD2-NH2 3.15Å; D104-R318 PolarHBondContact OD2-NH2 3.49Å; D106-R318 IonicContact OD1-NH1 3.61Å; D106-R318 PolarHBondContact OD1-NH1 2.59Å; D106-R318 WeakPolarHBondContact OD2-CD 3.46Å; D106-R318 IonicContact OD2-CZ 3.12Å; D106-R318 IonicContact OD2-NE 2.93Å; D106-R318 IonicContact OD2-NH1 2.66Å; D106-R318 PolarHBondContact OD2-NH1 2.84Å; N316-R318 PolarHBondContact O-N 2.78Å; N316-R318 VanDerWaalsContact OD1-CA 3.31Å; N316-R318 WeakPolarHBondContact OD1-CA 3.34Å; N316-R318 WeakPolarHBondContact OD1-CB 3.37Å; N316-R318 PolarHBondContact OD1-N 3.48Å; R318-K321 CarbonylContact O-C 3.5Å; R318-K321 PolarHBondContact O-N 2.9Å; R318-R322 WeakPolarHBondContact O-CG 3.36Å; R318-R322 PolarHBondContact O-N 2.76Å
319	A	94	Very high	95.3	Very high	7 Å²	7	43.2 Å²	43.2	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-49.5	176.4	0	0	0	0	0	112	L314 N316 K321 R322 L323	L314-A319 HydrophobicContact CB-CB 4.04Å; L314-A319 HydrophobicContact CD2-CB 4.04Å; N316-A319 WeakPolarHBondContact O-CB 2.99Å; N316-A319 PolarHBondContact O-N 2.9Å; N316-A319 VanDerWaalsContact O-N 3.08Å; N316-A319 PolarHBondContact OD1-N 3.04Å; A319-K321 PolarHBondContact O-N 3.37Å; A319-R322 WeakPolarHBondContact O-CB 3.32Å; A319-R322 PolarHBondContact O-N 3.44Å; A319-L323 PolarHBondContact O-N 2.9Å
320	S	95.9	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-36.4	177.3	-26.6	0	0	0	0	112.5	R291 S292 N316 W324	R291-S320 PolarHBondContact O-OG 3.28Å; S292-S320 VanDerWaalsContact CA-OG 3.24Å; S292-S320 WeakPolarHBondContact CA-OG 3.21Å; S292-S320 PolarHBondContact O-OG 2.95Å; N316-S320 PolarHBondContact O-N 3Å; N316-S320 VanDerWaalsContact O-N 3.14Å; N316-S320 PolarHBondContact O-OG 3.02Å; S320-W324 WeakPolarHBondContact O-CB 3.36Å; S320-W324 PolarHBondContact O-N 3.39Å
321	K	94	Very high	95.5	Very high	90 Å²	90	39 Å²	39	39%	0.391	19%	0.191	S	C	.	.	H	α-helix	trans	-74.8	-31.5	176	-175.4	169.8	-177.2	175.4	0	113.3	Y289 H317 R318 A319 K325	Y289-K321 HydrophobicContact CD2-CB 4.23Å; Y289-K321 HydrophobicContact CE2-CB 3.64Å; Y289-K321 HydrophobicContact CE2-CD 4.23Å; Y289-K321 HydrophobicContact CE2-CG 3.97Å; Y289-K321 WeakPolarHBondContact OH-CD 3.42Å; Y289-K321 WeakPolarHBondContact OH-CG 3.42Å; H317-K321 WeakPolarHBondContact O-CB 3.41Å; H317-K321 PolarHBondContact O-N 2.73Å; H317-K321 VanDerWaalsContact O-N 3.14Å; R318-K321 CarbonylContact O-C 3.5Å; R318-K321 PolarHBondContact O-N 2.9Å; A319-K321 PolarHBondContact O-N 3.37Å; K321-K325 PolarHBondContact O-N 2.96Å; K321-K325 VanDerWaalsContact O-N 3.1Å
322	R	93.3	Very high	95.5	Very high	58 Å²	58	38.5 Å²	38.5	22%	0.219	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-57.6	171.7	-72.4	-170.9	-58.4	-133.9	15.7	109.7	D106 S108 N110 R318 A319 W324 K325 V326	D106-R322 IonicContact OD1-NH1 2.78Å; D106-R322 IonicContact OD2-NH1 2.73Å; D106-R322 PolarHBondContact OD2-NH1 2.7Å; S108-R322 PolarHBondContact OG-NH1 3.22Å; S108-R322 VanDerWaalsContact OG-NH1 3.15Å; S108-R322 PolarHBondContact OG-NH2 2.85Å; S108-R322 VanDerWaalsContact OG-NH2 3.16Å; N110-R322 WeakPolarHBondContact OD1-CD 3.37Å; R318-R322 WeakPolarHBondContact O-CG 3.36Å; R318-R322 PolarHBondContact O-N 2.76Å; A319-R322 WeakPolarHBondContact O-CB 3.32Å; A319-R322 PolarHBondContact O-N 3.44Å; R322-W324 VanDerWaalsContact C-N 3.35Å; R322-W324 PolarHBondContact O-N 3.46Å; R322-K325 WeakPolarHBondContact O-CB 3.34Å; R322-K325 PolarHBondContact O-N 3.26Å; R322-V326 WeakPolarHBondContact O-CG2 3.47Å; R322-V326 PolarHBondContact O-N 3.43Å
323	L	96.3	Very high	95.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-53.1	-51.6	177	176.6	62.2	0	0	0	110.9	H248 L260 V262 F294 L314 A319 K325 V326 C327	H248-L323 HydrophobicContact CB-CD1 4.15Å; H248-L323 HydrophobicContact CB-CD2 4.48Å; L260-L323 HydrophobicContact CB-CD2 4.35Å; L260-L323 HydrophobicContact CD1-CD2 3.64Å; V262-L323 HydrophobicContact CG2-CD1 3.48Å; V262-L323 VanDerWaalsContact CG2-CD1 3.48Å; F294-L323 HydrophobicContact CB-CD2 4.5Å; F294-L323 HydrophobicContact CD1-CD2 3.68Å; F294-L323 HydrophobicContact CD2-CD2 4Å; F294-L323 HydrophobicContact CD2-CG 4.19Å; F294-L323 HydrophobicContact CE1-CD2 3.74Å; F294-L323 HydrophobicContact CE1-CG 4.29Å; F294-L323 HydrophobicContact CE2-CD2 4.04Å; F294-L323 HydrophobicContact CE2-CG 3.89Å; F294-L323 HydrophobicContact CG-CD2 3.82Å; F294-L323 HydrophobicContact CZ-CD2 3.92Å; F294-L323 HydrophobicContact CZ-CG 3.95Å; L314-L323 HydrophobicContact CD1-CD2 4.04Å; L314-L323 HydrophobicContact CD2-CB 4.03Å; L314-L323 HydrophobicContact CD2-CD2 3.86Å; A319-L323 PolarHBondContact O-N 2.9Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 2.74Å; L323-V326 PolarHBondContact O-N 3.4Å; L323-C327 VanDerWaalsContact CD1-SG 3.57Å; L323-C327 PolarHBondContact O-N 2.94Å; L323-C327 PolarHBondContact O-SG 3.19Å
324	W	96.6	Very high	95.3	Very high	20 Å²	20	33.8 Å²	33.8	8%	0.076	16%	0.163	C	C	.	.	H	α-helix	trans	-56.4	-39	177.1	175.5	83.5	0	0	0	114	I287 Y289 F294 S320 R322 I328 S351 F353	I287-W324 PolarHBondContact O-NE1 3.24Å; I287-W324 VanDerWaalsContact O-NE1 3.15Å; Y289-W324 HydrophobicContact CD1-CB 3.58Å; Y289-W324 AromaticContact CD1-CD1 3.73Å; Y289-W324 AromaticContact CD1-CD2 3.6Å; Y289-W324 HydrophobicContact CD1-CD2 3.6Å; Y289-W324 HydrophobicContact CD1-CE3 4.15Å; Y289-W324 AromaticContact CD1-CG 3.3Å; Y289-W324 HydrophobicContact CD1-CG 3.3Å; Y289-W324 HydrophobicContact CE1-CB 4.16Å; Y289-W324 AromaticContact CE1-CD2 3.49Å; Y289-W324 HydrophobicContact CE1-CD2 3.49Å; Y289-W324 VanDerWaalsContact CE1-CD2 3.49Å; Y289-W324 AromaticContact CE1-CE3 3.59Å; Y289-W324 HydrophobicContact CE1-CE3 3.59Å; Y289-W324 AromaticContact CE1-CG 3.74Å; Y289-W324 HydrophobicContact CE1-CG 3.74Å; Y289-W324 HydrophobicContact CE1-CZ3 4.3Å; Y289-W324 HydrophobicContact CG-CB 4.12Å; Y289-W324 HydrophobicContact CG-CG 4.27Å; F294-W324 HydrophobicContact CD2-CB 4.31Å; F294-W324 HydrophobicContact CE2-CB 4.21Å; S320-W324 WeakPolarHBondContact O-CB 3.36Å; S320-W324 PolarHBondContact O-N 3.39Å; R322-W324 VanDerWaalsContact C-N 3.35Å; R322-W324 PolarHBondContact O-N 3.46Å; W324-I328 HydrophobicContact CD2-CG1 4.31Å; W324-I328 HydrophobicContact CZ2-CG1 3.93Å; W324-I328 VanDerWaalsContact O-CG1 3.24Å; W324-I328 WeakPolarHBondContact O-CG1 3.39Å; W324-I328 PolarHBondContact O-N 2.93Å; W324-S351 VanDerWaalsContact CH2-CB 3.41Å; W324-S351 WeakPolarHBondContact CH2-OG 3.45Å; W324-S351 WeakPolarHBondContact CZ3-OG 3.49Å; W324-F353 HydrophobicContact CH2-CB 3.97Å; W324-F353 AromaticContact CH2-CD1 3.89Å; W324-F353 HydrophobicContact CH2-CD1 3.89Å; W324-F353 HydrophobicContact CH2-CG 4.41Å; W324-F353 HydrophobicContact CZ3-CB 3.85Å; W324-F353 AromaticContact CZ3-CD1 3.66Å; W324-F353 HydrophobicContact CZ3-CD1 3.66Å; W324-F353 HydrophobicContact CZ3-CG 4.11Å
325	K	95.1	Very high	95.2	Very high	49 Å²	49	39.9 Å²	39.9	21%	0.213	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-55.9	171	-83.6	-161.7	-176.8	-169.4	0	110.3	D113 K321 R322 L323 C327 I328 E329 F353	D113-K325 IonicContact OD2-NZ 2.71Å; D113-K325 PolarHBondContact OD2-NZ 3.43Å; K321-K325 PolarHBondContact O-N 2.96Å; K321-K325 VanDerWaalsContact O-N 3.1Å; R322-K325 WeakPolarHBondContact O-CB 3.34Å; R322-K325 PolarHBondContact O-N 3.26Å; L323-K325 VanDerWaalsContact C-N 3.31Å; L323-K325 PolarHBondContact O-N 2.74Å; K325-C327 VanDerWaalsContact C-N 3.28Å; K325-C327 PolarHBondContact O-N 2.83Å; K325-I328 PolarHBondContact O-N 2.91Å; K325-E329 WeakPolarHBondContact O-CG 3.24Å; K325-E329 PolarHBondContact O-N 3.45Å; K325-F353 HydrophobicContact CB-CE1 4.16Å; K325-F353 HydrophobicContact CB-CZ 4.43Å; K325-F353 HydrophobicContact CD-CD2 4.31Å; K325-F353 HydrophobicContact CD-CE1 4.25Å; K325-F353 HydrophobicContact CD-CE2 3.95Å; K325-F353 HydrophobicContact CD-CZ 3.92Å; K325-F353 HydrophobicContact CG-CD1 3.98Å; K325-F353 HydrophobicContact CG-CD2 4.49Å; K325-F353 HydrophobicContact CG-CE1 3.82Å; K325-F353 HydrophobicContact CG-CE2 4.35Å; K325-F353 HydrophobicContact CG-CG 4.32Å; K325-F353 HydrophobicContact CG-CZ 4.02Å
326	V	96.2	Very high	95	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-55.3	-43.6	-175	177.3	0	0	0	0	110.9	D246 V262 R322 L323 E329 H330	D246-V326 WeakPolarHBondContact OD2-CG1 3.3Å; V262-V326 HydrophobicContact CB-CG1 4.01Å; V262-V326 HydrophobicContact CG1-CG1 3.98Å; V262-V326 HydrophobicContact CG2-CG1 4.09Å; R322-V326 WeakPolarHBondContact O-CG2 3.47Å; R322-V326 PolarHBondContact O-N 3.43Å; L323-V326 PolarHBondContact O-N 3.4Å; V326-E329 PolarHBondContact O-N 3.44Å; V326-H330 WeakPolarHBondContact CG1-ND1 3.31Å; V326-H330 WeakPolarHBondContact O-CB 3.4Å; V326-H330 PolarHBondContact O-N 3.06Å; V326-H330 PolarHBondContact O-ND1 2.94Å
327	C	97.3	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-42.8	176.5	-50.3	0	0	0	0	112.7	L267 W281 I287 L323 K325 H331	L267-C327 HydrophobicContact CD2-CB 4.42Å; W281-C327 HydrophobicContact CH2-CB 4.24Å; I287-C327 HydrophobicContact CD1-CB 3.69Å; I287-C327 HydrophobicContact CG2-CB 4.25Å; L323-C327 VanDerWaalsContact CD1-SG 3.57Å; L323-C327 PolarHBondContact O-N 2.94Å; L323-C327 PolarHBondContact O-SG 3.19Å; K325-C327 VanDerWaalsContact C-N 3.28Å; K325-C327 PolarHBondContact O-N 2.83Å; C327-H331 WeakPolarHBondContact O-CB 3.32Å; C327-H331 PolarHBondContact O-N 3.23Å
328	I	95.1	Very high	94.6	Very high	34 Å²	34	37.4 Å²	37.4	17%	0.174	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-40.7	177.6	-68.5	-67.5	0	0	0	110.8	W324 K325 T332 F353	W324-I328 HydrophobicContact CD2-CG1 4.31Å; W324-I328 HydrophobicContact CZ2-CG1 3.93Å; W324-I328 VanDerWaalsContact O-CG1 3.24Å; W324-I328 WeakPolarHBondContact O-CG1 3.39Å; W324-I328 PolarHBondContact O-N 2.93Å; K325-I328 PolarHBondContact O-N 2.91Å; I328-T332 WeakPolarHBondContact O-CB 3.13Å; I328-T332 PolarHBondContact O-N 2.85Å; I328-T332 PolarHBondContact O-OG1 3.17Å; I328-F353 HydrophobicContact CG2-CE1 4.43Å
329	E	96.1	Very high	94.4	Very high	11 Å²	11	35.9 Å²	35.9	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-48	177.2	-67.1	-171.5	119	0	0	111.6	K134 F135 K325 V326 T332 F333 F353 Y355	K134-E329 WeakPolarHBondContact CE-OE2 3.4Å; K134-E329 IonicContact NZ-OE1 2.7Å; K134-E329 PolarHBondContact NZ-OE1 2.86Å; K134-E329 IonicContact NZ-OE2 2.69Å; K134-E329 PolarHBondContact NZ-OE2 3.27Å; F135-E329 HydrophobicContact CE1-CB 4.15Å; F135-E329 HydrophobicContact CZ-CB 4.05Å; K325-E329 WeakPolarHBondContact O-CG 3.24Å; K325-E329 PolarHBondContact O-N 3.45Å; V326-E329 PolarHBondContact O-N 3.44Å; E329-T332 PolarHBondContact O-N 3.32Å; E329-F333 VanDerWaalsContact O-CB 3.27Å; E329-F333 WeakPolarHBondContact O-CB 3.41Å; E329-F333 PolarHBondContact O-N 3Å; E329-F353 HydrophobicContact CG-CE1 3.96Å; E329-F353 HydrophobicContact CG-CZ 3.78Å; E329-Y355 HydrophobicContact CB-CD2 4.13Å; E329-Y355 HydrophobicContact CG-CD2 3.95Å
330	H	97.4	Very high	93.7	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-47	176	-80.8	73.3	0	0	0	112.5	F135 V262 W281 V326 T332 F333 F334	F135-H330 AromaticContact CD1-CE1 3.9Å; F135-H330 AromaticContact CD1-NE2 3.87Å; F135-H330 AromaticContact CE1-ND1 3.88Å; V262-H330 HydrophobicContact CG1-CB 3.98Å; W281-H330 HydrophobicContact CH2-CB 4.44Å; W281-H330 HydrophobicContact CZ2-CB 3.75Å; V326-H330 WeakPolarHBondContact CG1-ND1 3.31Å; V326-H330 WeakPolarHBondContact O-CB 3.4Å; V326-H330 PolarHBondContact O-N 3.06Å; V326-H330 PolarHBondContact O-ND1 2.94Å; H330-T332 PolarHBondContact O-N 2.88Å; H330-F333 PolarHBondContact O-N 3.33Å; H330-F334 HydrophobicContact CB-CD2 4.47Å; H330-F334 AromaticContact CD2-CE2 3.76Å; H330-F334 WeakPolarHBondContact O-CD2 3.37Å; H330-F334 PolarHBondContact O-N 3.37Å
331	H	95.4	Very high	92.7	Very high	45 Å²	45	45.9 Å²	45.9	21%	0.208	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-47.5	177.4	177.5	-91.7	0	0	0	111.2	W281 C327 R335	W281-H331 HydrophobicContact CD2-CB 4.21Å; W281-H331 HydrophobicContact CE3-CB 4.02Å; W281-H331 AromaticContact CE3-CD2 3.85Å; W281-H331 HydrophobicContact CZ3-CB 4.23Å; C327-H331 WeakPolarHBondContact O-CB 3.32Å; C327-H331 PolarHBondContact O-N 3.23Å; H331-R335 WeakPolarHBondContact O-CA 3.48Å; H331-R335 WeakPolarHBondContact O-CB 3.13Å; H331-R335 PolarHBondContact O-N 2.99Å
332	T	95.4	Very high	91.6	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-42	177	-66.1	0	0	0	0	112.1	I328 E329 H330 L336 P339 Y355 T359	I328-T332 WeakPolarHBondContact O-CB 3.13Å; I328-T332 PolarHBondContact O-N 2.85Å; I328-T332 PolarHBondContact O-OG1 3.17Å; E329-T332 PolarHBondContact O-N 3.32Å; H330-T332 PolarHBondContact O-N 2.88Å; T332-L336 HydrophobicContact CG2-CD1 4.19Å; T332-P339 HydrophobicContact CG2-CB 4.02Å; T332-P339 HydrophobicContact CG2-CG 4.4Å; T332-Y355 HydrophobicContact CG2-CD1 3.52Å; T332-Y355 HydrophobicContact CG2-CE1 4.37Å; T332-Y355 HydrophobicContact CG2-CG 4.12Å; T332-T359 HydrophobicContact CG2-CG2 4.25Å; T332-T359 WeakPolarHBondContact O-CG2 3.5Å
333	F	96.9	Very high	90.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-52.1	-178.5	-173.3	-102.2	0	0	0	112.4	D96 Y97 F135 E329 H330 R358 Q360	D96-F333 HydrophobicContact CB-CE2 3.93Å; Y97-F333 AromaticContact CD1-CE1 3.84Å; Y97-F333 HydrophobicContact CD1-CE1 3.84Å; Y97-F333 AromaticContact CD1-CZ 3.63Å; Y97-F333 HydrophobicContact CD1-CZ 3.63Å; Y97-F333 AromaticContact CE1-CE1 3.8Å; Y97-F333 HydrophobicContact CE1-CE1 3.8Å; Y97-F333 AromaticContact CE1-CZ 3.62Å; Y97-F333 HydrophobicContact CE1-CZ 3.62Å; Y97-F333 HydrophobicContact CG-CZ 4.49Å; F135-F333 HydrophobicContact CB-CD1 3.67Å; F135-F333 HydrophobicContact CB-CE1 3.56Å; F135-F333 HydrophobicContact CB-CG 4.38Å; F135-F333 HydrophobicContact CB-CZ 4.21Å; F135-F333 HydrophobicContact CD1-CB 4.22Å; F135-F333 HydrophobicContact CD1-CD1 4.11Å; F135-F333 HydrophobicContact CD1-CG 4.2Å; F135-F333 HydrophobicContact CD2-CB 4.34Å; F135-F333 AromaticContact CD2-CD1 3.85Å; F135-F333 HydrophobicContact CD2-CD1 3.85Å; F135-F333 AromaticContact CD2-CD2 3.75Å; F135-F333 HydrophobicContact CD2-CD2 3.75Å; F135-F333 HydrophobicContact CD2-CE1 4.03Å; F135-F333 AromaticContact CD2-CE2 3.95Å; F135-F333 HydrophobicContact CD2-CE2 3.95Å; F135-F333 AromaticContact CD2-CG 3.7Å; F135-F333 HydrophobicContact CD2-CG 3.7Å; F135-F333 HydrophobicContact CD2-CZ 4.08Å; F135-F333 HydrophobicContact CE1-CB 4.02Å; F135-F333 HydrophobicContact CE1-CG 4.37Å; F135-F333 HydrophobicContact CE2-CB 4.16Å; F135-F333 HydrophobicContact CE2-CD1 4.49Å; F135-F333 AromaticContact CE2-CD2 3.83Å; F135-F333 HydrophobicContact CE2-CD2 3.83Å; F135-F333 HydrophobicContact CE2-CE2 4.35Å; F135-F333 AromaticContact CE2-CG 3.91Å; F135-F333 HydrophobicContact CE2-CG 3.91Å; F135-F333 HydrophobicContact CG-CB 4.37Å; F135-F333 AromaticContact CG-CD1 3.63Å; F135-F333 HydrophobicContact CG-CD1 3.63Å; F135-F333 HydrophobicContact CG-CD2 4.36Å; F135-F333 AromaticContact CG-CE1 3.93Å; F135-F333 HydrophobicContact CG-CE1 3.93Å; F135-F333 AromaticContact CG-CG 3.86Å; F135-F333 HydrophobicContact CG-CG 3.86Å; F135-F333 HydrophobicContact CG-CZ 4.43Å; F135-F333 HydrophobicContact CZ-CB 3.98Å; F135-F333 HydrophobicContact CZ-CD2 4.48Å; F135-F333 HydrophobicContact CZ-CG 4.22Å; E329-F333 VanDerWaalsContact O-CB 3.27Å; E329-F333 WeakPolarHBondContact O-CB 3.41Å; E329-F333 PolarHBondContact O-N 3Å; H330-F333 PolarHBondContact O-N 3.33Å; F333-R358 VanDerWaalsContact CD2-O 3.29Å; F333-R358 WeakPolarHBondContact CD2-O 3.4Å; F333-Q360 HydrophobicContact CD1-CB 4.07Å; F333-Q360 HydrophobicContact CE1-CB 3.75Å; F333-Q360 HydrophobicContact CE1-CG 4.02Å; F333-Q360 HydrophobicContact CE2-CB 4.46Å; F333-Q360 HydrophobicContact CZ-CB 3.97Å; F333-Q360 HydrophobicContact CZ-CG 4.26Å; F333-Q360 WeakPolarHBondContact O-CB 3.43Å; F333-Q360 PolarHBondContact O-N 2.94Å
334	F	96.1	Very high	88.7	Confident	32 Å²	32	57.6 Å²	57.6	14%	0.14	30%	0.302	C	S	.	.	H	α-helix	trans	-88.9	-28.6	-172.6	-68.3	-73.2	0	0	0	114.7	F135 Y136 A264 H330	F135-F334 HydrophobicContact CB-CE2 3.92Å; F135-F334 HydrophobicContact CB-CZ 3.71Å; F135-F334 AromaticContact CD1-CE2 3.98Å; F135-F334 HydrophobicContact CD1-CE2 3.98Å; F135-F334 HydrophobicContact CG-CE2 4.31Å; Y136-F334 VanDerWaalsContact O-CZ 3.26Å; Y136-F334 WeakPolarHBondContact O-CZ 3.14Å; A264-F334 HydrophobicContact CB-CD1 3.8Å; A264-F334 HydrophobicContact CB-CD2 3.87Å; A264-F334 HydrophobicContact CB-CE1 3.65Å; A264-F334 HydrophobicContact CB-CE2 3.71Å; A264-F334 HydrophobicContact CB-CG 3.91Å; A264-F334 HydrophobicContact CB-CZ 3.58Å; H330-F334 HydrophobicContact CB-CD2 4.47Å; H330-F334 AromaticContact CD2-CE2 3.76Å; H330-F334 WeakPolarHBondContact O-CD2 3.37Å; H330-F334 PolarHBondContact O-N 3.37Å
335	R	93.5	Very high	87.1	Confident	131 Å²	131	58.8 Å²	58.8	49%	0.494	32%	0.321	S	S	.	.	H	α-helix	trans	-100.2	-26	-172.1	-170.6	60	-167.6	95.6	-12.9	115	W281 H331	W281-R335 HydrophobicContact CB-CB 4.44Å; W281-R335 HydrophobicContact CB-CG 4.36Å; H331-R335 WeakPolarHBondContact O-CA 3.48Å; H331-R335 WeakPolarHBondContact O-CB 3.13Å; H331-R335 PolarHBondContact O-N 2.99Å
336	L	91.7	Very high	85.3	Confident	48 Å²	48	66.8 Å²	66.8	25%	0.251	36%	0.356	S	S	.	.			trans	-103.6	146.7	-172.2	-56.2	-174.9	0	0	0	112.6	T332 S338 E340 T359	T332-L336 HydrophobicContact CG2-CD1 4.19Å; L336-S338 WeakPolarHBondContact CB-O 3.48Å; L336-E340 HydrophobicContact CD1-CG 4.48Å; L336-T359 VanDerWaalsContact O-CB 3.24Å; L336-T359 WeakPolarHBondContact O-CB 3.49Å; L336-T359 WeakPolarHBondContact O-CG2 3.38Å; L336-T359 PolarHBondContact O-OG1 2.93Å
337	V	90.8	Very high	83.7	Confident	105 Å²	105	74.1 Å²	74.1	64%	0.636	39%	0.394	S	S	*	.	S	Bend	trans	-72	-32.9	175	-178	0	0	0	0	111	T359 Q362	V337-T359 PolarHBondContact O-OG1 3.49Å; V337-Q362 WeakPolarHBondContact O-CG 3.45Å
338	S	88.8	Confident	81.8	Confident	66 Å²	66	76.6 Å²	76.6	46%	0.462	41%	0.409	S	S	.	.	S	Bend	trans	-148.1	161.1	174	57.1	0	0	0	0	111	L336	L336-S338 WeakPolarHBondContact CB-O 3.48Å
339	P	86.5	Confident	80	Confident	33 Å²	33	83.2 Å²	83.2	21%	0.214	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-67.9	147.1	177.8	-17.8	32.7	0	0	0	112	T332 Y355 G357 T359	T332-P339 HydrophobicContact CG2-CB 4.02Å; T332-P339 HydrophobicContact CG2-CG 4.4Å; P339-Y355 HydrophobicContact CB-CD1 4.5Å; P339-Y355 HydrophobicContact CG-CD1 4.26Å; P339-G357 WeakPolarHBondContact CG-O 3.48Å; P339-T359 HydrophobicContact CG-CG2 4.2Å
340	E	80	Confident	78.5	Confident	111 Å²	111	85.5 Å²	85.5	52%	0.519	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-58.3	128.5	175.7	-71.5	-174.1	172.1	0	0	111.6	L336 R354	L336-E340 HydrophobicContact CD1-CG 4.48Å; E340-R354 IonicContact OE2-NE 3.92Å; E340-R354 PolarHBondContact OE2-NE 3.41Å
341	P	74.6	Confident	77.2	Confident	105 Å²	105	86.9 Å²	86.9	68%	0.682	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-65.5	146.6	173.9	27.8	-34.1	0	0	0	110.8
342	P	69.7	Low	76.3	Confident	104 Å²	104	93 Å²	93	68%	0.675	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-59.6	134.9	178.6	24.4	-33.7	0	0	0	110.9	K344	P342-K344 PolarHBondContact O-N 3.14Å
343	P	67.3	Low	75.8	Confident	68 Å²	68	93.6 Å²	93.6	44%	0.442	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-56.6	128.1	-177.9	-27	34.3	0	0	0	112.5	G345 V348	P343-G345 PolarHBondContact O-N 3.19Å; P343-V348 HydrophobicContact CB-CG2 3.94Å; P343-V348 HydrophobicContact CG-CG2 4.24Å
344	K	63	Low	75.2	Confident	222 Å²	222	97.5 Å²	97.5	97%	0.965	52%	0.523	S	S	*	.	S	Bend	trans	-76.8	67.3	179.1	-65.1	-178.2	-179.3	176.9	0	111.3	P342	P342-K344 PolarHBondContact O-N 3.14Å
345	G	61.4	Low	74.9	Confident	46 Å²	46	97 Å²	97	47%	0.474	52%	0.52	S	S	.	.	S	Bend	trans	-160	140.6	178.9	0	0	0	0	0	113	P343 L347	P343-G345 PolarHBondContact O-N 3.19Å; G345-L347 VanDerWaalsContact C-N 3.26Å; G345-L347 PolarHBondContact O-N 3.1Å
346	F	58.8	Low	74.6	Confident	217 Å²	217	94.5 Å²	94.5	95%	0.952	52%	0.523	S	S	*	.	S	Bend	trans	-71.8	-13.8	-173.2	-74.9	-87.7	0	0	0	114.8
347	L	61.4	Low	74.5	Confident	162 Å²	162	93.5 Å²	93.5	85%	0.848	52%	0.524	S	S	*	.			trans	-126.4	71.1	-175.6	-66.5	175	0	0	0	112.2	G345 I349	G345-L347 VanDerWaalsContact C-N 3.26Å; G345-L347 PolarHBondContact O-N 3.1Å; L347-I349 PolarHBondContact O-N 3.21Å
348	V	57.4	Low	74.7	Confident	52 Å²	52	92.7 Å²	92.7	32%	0.315	51%	0.51	S	S	.	.			trans	-80	101.8	168.5	-178.5	0	0	0	0	109.5	P343	P343-V348 HydrophobicContact CB-CG2 3.94Å; P343-V348 HydrophobicContact CG-CG2 4.24Å
349	I	57.4	Low	75.1	Confident	172 Å²	172	89.6 Å²	89.6	88%	0.882	49%	0.488	S	S	*	.			trans	-76.5	120.5	171.6	-59.9	176.6	0	0	0	108.8	L347	L347-I349 PolarHBondContact O-N 3.21Å
350	G	65.1	Low	75.5	Confident	60 Å²	60	89.4 Å²	89.4	62%	0.619	48%	0.484	S	S	*	.	S	Bend	trans	118.4	-158.5	178.2	0	0	0	0	0	113.8	K352	G350-K352 PolarHBondContact O-N 2.78Å
351	S	70.4	Confident	76.2	Confident	35 Å²	35	85.9 Å²	85.9	25%	0.245	47%	0.474	C	S	.	.			trans	-73.5	116	-176.4	-168.2	0	0	0	0	111.6	W324 F353 R354	W324-S351 VanDerWaalsContact CH2-CB 3.41Å; W324-S351 WeakPolarHBondContact CH2-OG 3.45Å; W324-S351 WeakPolarHBondContact CZ3-OG 3.49Å; S351-F353 PolarHBondContact O-N 3.21Å; S351-R354 PolarHBondContact O-NH1 2.66Å
352	K	76.9	Confident	77.3	Confident	174 Å²	174	83.8 Å²	83.8	76%	0.757	46%	0.455	S	S	*	.			trans	-74.1	-1.6	172.9	-63.9	-172.8	178.8	-176	0	113.9	G350	G350-K352 PolarHBondContact O-N 2.78Å
353	F	84.6	Confident	78.5	Confident	23 Å²	23	78.8 Å²	78.8	10%	0.101	42%	0.423	C	S	.	.			trans	-68.4	137.3	175.6	177.2	-96	0	0	0	110.6	D113 W324 K325 I328 E329 S351	D113-F353 WeakPolarHBondContact OD2-CE2 3.44Å; W324-F353 HydrophobicContact CH2-CB 3.97Å; W324-F353 AromaticContact CH2-CD1 3.89Å; W324-F353 HydrophobicContact CH2-CD1 3.89Å; W324-F353 HydrophobicContact CH2-CG 4.41Å; W324-F353 HydrophobicContact CZ3-CB 3.85Å; W324-F353 AromaticContact CZ3-CD1 3.66Å; W324-F353 HydrophobicContact CZ3-CD1 3.66Å; W324-F353 HydrophobicContact CZ3-CG 4.11Å; K325-F353 HydrophobicContact CB-CE1 4.16Å; K325-F353 HydrophobicContact CB-CZ 4.43Å; K325-F353 HydrophobicContact CD-CD2 4.31Å; K325-F353 HydrophobicContact CD-CE1 4.25Å; K325-F353 HydrophobicContact CD-CE2 3.95Å; K325-F353 HydrophobicContact CD-CZ 3.92Å; K325-F353 HydrophobicContact CG-CD1 3.98Å; K325-F353 HydrophobicContact CG-CD2 4.49Å; K325-F353 HydrophobicContact CG-CE1 3.82Å; K325-F353 HydrophobicContact CG-CE2 4.35Å; K325-F353 HydrophobicContact CG-CG 4.32Å; K325-F353 HydrophobicContact CG-CZ 4.02Å; I328-F353 HydrophobicContact CG2-CE1 4.43Å; E329-F353 HydrophobicContact CG-CE1 3.96Å; E329-F353 HydrophobicContact CG-CZ 3.78Å; S351-F353 PolarHBondContact O-N 3.21Å
354	R	84.2	Confident	79.8	Confident	81 Å²	81	81.7 Å²	81.7	31%	0.306	43%	0.425	S	S	.	.			trans	-140.4	151.2	167.6	-69.9	-61.6	-178.1	-74	1.4	106.9	E340 S351	E340-R354 IonicContact OE2-NE 3.92Å; E340-R354 PolarHBondContact OE2-NE 3.41Å; S351-R354 PolarHBondContact O-NH1 2.66Å
355	Y	89.9	Confident	81.3	Confident	21 Å²	21	77.2 Å²	77.2	8%	0.082	41%	0.408	C	S	.	.			trans	-65	143.1	168	177.9	-103.4	0	0	0	109.7	F135 E329 T332 P339 G357 R358	F135-Y355 AromaticContact CE2-CE2 3.94Å; F135-Y355 HydrophobicContact CE2-CE2 3.94Å; F135-Y355 AromaticContact CZ-CE2 3.84Å; F135-Y355 HydrophobicContact CZ-CE2 3.84Å; E329-Y355 HydrophobicContact CB-CD2 4.13Å; E329-Y355 HydrophobicContact CG-CD2 3.95Å; T332-Y355 HydrophobicContact CG2-CD1 3.52Å; T332-Y355 HydrophobicContact CG2-CE1 4.37Å; T332-Y355 HydrophobicContact CG2-CG 4.12Å; P339-Y355 HydrophobicContact CB-CD1 4.5Å; P339-Y355 HydrophobicContact CG-CD1 4.26Å; Y355-G357 VanDerWaalsContact CE1-C 3.44Å; Y355-G357 VanDerWaalsContact CE1-O 3.25Å; Y355-G357 WeakPolarHBondContact CE1-O 3.49Å; Y355-R358 VanDerWaalsContact CE1-O 3.28Å; Y355-R358 WeakPolarHBondContact CE1-O 3.47Å; Y355-R358 PolarHBondContact OH-O 3.18Å
356	S	86.3	Confident	82.9	Confident	79 Å²	79	76.3 Å²	76.3	55%	0.552	40%	0.396	S	S	*	.			trans	-135.2	9.9	-171.3	70.8	0	0	0	0	114.8
357	G	90.6	Very high	84.6	Confident	27 Å²	27	66.1 Å²	66.1	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	-90.3	-172.3	169.7	0	0	0	0	0	111.7	P339 Y355	P339-G357 WeakPolarHBondContact CG-O 3.48Å; Y355-G357 VanDerWaalsContact CE1-C 3.44Å; Y355-G357 VanDerWaalsContact CE1-O 3.25Å; Y355-G357 WeakPolarHBondContact CE1-O 3.49Å
358	R	94.6	Very high	86.2	Confident	89 Å²	89	62.1 Å²	62.1	34%	0.336	34%	0.342	S	S	.	.			trans	-74.2	150.1	169.6	-59.2	-174.2	-73.1	-160.9	3.3	109.8	D96 F333 Y355 Q362	D96-R358 VanDerWaalsContact OD1-CB 3.24Å; D96-R358 WeakPolarHBondContact OD1-CB 3.47Å; D96-R358 WeakPolarHBondContact OD1-CG 3.43Å; D96-R358 PolarHBondContact OD1-N 3.46Å; D96-R358 IonicContact OD1-NE 3.12Å; D96-R358 PolarHBondContact OD1-NE 3.29Å; D96-R358 IonicContact OD2-CZ 2.96Å; D96-R358 IonicContact OD2-NE 3.6Å; D96-R358 PolarHBondContact OD2-NE 3.13Å; D96-R358 IonicContact OD2-NH2 2.71Å; D96-R358 PolarHBondContact OD2-NH2 2.85Å; F333-R358 VanDerWaalsContact CD2-O 3.29Å; F333-R358 WeakPolarHBondContact CD2-O 3.4Å; Y355-R358 VanDerWaalsContact CE1-O 3.28Å; Y355-R358 WeakPolarHBondContact CE1-O 3.47Å; Y355-R358 PolarHBondContact OH-O 3.18Å; R358-Q362 HydrophobicContact CB-CB 3.83Å; R358-Q362 HydrophobicContact CG-CB 4.38Å
359	T	96.6	Very high	87.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.362	C	S	.	.			trans	-74.5	167.7	165.8	61.2	0	0	0	0	110.2	T332 L336 V337 P339 A361 Q362 T363	T332-T359 HydrophobicContact CG2-CG2 4.25Å; T332-T359 WeakPolarHBondContact O-CG2 3.5Å; L336-T359 VanDerWaalsContact O-CB 3.24Å; L336-T359 WeakPolarHBondContact O-CB 3.49Å; L336-T359 WeakPolarHBondContact O-CG2 3.38Å; L336-T359 PolarHBondContact O-OG1 2.93Å; V337-T359 PolarHBondContact O-OG1 3.49Å; P339-T359 HydrophobicContact CG-CG2 4.2Å; T359-A361 PolarHBondContact O-N 2.71Å; T359-Q362 VanDerWaalsContact N-OE1 3.12Å; T359-Q362 PolarHBondContact O-N 3.27Å; T359-Q362 WeakPolarHBondContact OG1-CG 3.36Å; T359-Q362 PolarHBondContact OG1-N 3.26Å; T359-Q362 PolarHBondContact OG1-OE1 2.82Å; T359-T363 WeakPolarHBondContact O-CB 3.35Å; T359-T363 PolarHBondContact O-N 2.97Å; T359-T363 PolarHBondContact O-OG1 3.18Å
360	Q	95.9	Very high	89.6	Confident	29 Å²	29	60.2 Å²	60.2	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-36.1	173.8	-164.5	-171.2	23.8	0	0	111.4	Y97 F333 T363 R364	Y97-Q360 HydrophobicContact CE1-CG 4.27Å; F333-Q360 HydrophobicContact CD1-CB 4.07Å; F333-Q360 HydrophobicContact CE1-CB 3.75Å; F333-Q360 HydrophobicContact CE1-CG 4.02Å; F333-Q360 HydrophobicContact CE2-CB 4.46Å; F333-Q360 HydrophobicContact CZ-CB 3.97Å; F333-Q360 HydrophobicContact CZ-CG 4.26Å; F333-Q360 WeakPolarHBondContact O-CB 3.43Å; F333-Q360 PolarHBondContact O-N 2.94Å; Q360-T363 PolarHBondContact O-N 3.31Å; Q360-R364 WeakPolarHBondContact O-CB 2.91Å; Q360-R364 WeakPolarHBondContact O-CG 3.41Å; Q360-R364 PolarHBondContact O-N 3.43Å
361	A	94.9	Very high	90.9	Very high	37 Å²	37	65.3 Å²	65.3	31%	0.306	34%	0.343	S	S	.	.	H	α-helix	trans	-61.1	-47.8	175.3	0	0	0	0	0	112	T359 T363 Q365	T359-A361 PolarHBondContact O-N 2.71Å; A361-T363 VanDerWaalsContact C-N 3.35Å; A361-Q365 WeakPolarHBondContact O-CB 3.34Å; A361-Q365 VanDerWaalsContact O-CG 3.31Å; A361-Q365 WeakPolarHBondContact O-CG 3.31Å; A361-Q365 PolarHBondContact O-N 3.28Å
362	Q	96	Very high	92	Very high	61 Å²	61	67.1 Å²	67.1	29%	0.285	35%	0.345	S	S	.	.	H	α-helix	trans	-69.3	-31.7	176.1	-70.8	174.5	-44.9	0	0	112.7	V337 R358 T359 A366	V337-Q362 WeakPolarHBondContact O-CG 3.45Å; R358-Q362 HydrophobicContact CB-CB 3.83Å; R358-Q362 HydrophobicContact CG-CB 4.38Å; T359-Q362 VanDerWaalsContact N-OE1 3.12Å; T359-Q362 PolarHBondContact O-N 3.27Å; T359-Q362 WeakPolarHBondContact OG1-CG 3.36Å; T359-Q362 PolarHBondContact OG1-N 3.26Å; T359-Q362 PolarHBondContact OG1-OE1 2.82Å; Q362-A366 WeakPolarHBondContact O-CB 3.35Å; Q362-A366 PolarHBondContact O-N 2.97Å
363	T	95.9	Very high	92.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-50.2	176.3	-54.3	0	0	0	0	109.8	D96 Y97 T359 Q360 A361 Q365 A366 S367	D96-T363 HydrophobicContact CB-CG2 4.11Å; Y97-T363 HydrophobicContact CD2-CG2 4.43Å; Y97-T363 HydrophobicContact CE2-CG2 3.83Å; T359-T363 WeakPolarHBondContact O-CB 3.35Å; T359-T363 PolarHBondContact O-N 2.97Å; T359-T363 PolarHBondContact O-OG1 3.18Å; Q360-T363 PolarHBondContact O-N 3.31Å; A361-T363 VanDerWaalsContact C-N 3.35Å; T363-Q365 VanDerWaalsContact C-N 3.35Å; T363-Q365 PolarHBondContact O-N 2.68Å; T363-A366 PolarHBondContact O-N 2.71Å; T363-A366 VanDerWaalsContact O-N 3.11Å; T363-S367 WeakPolarHBondContact O-CB 3.45Å; T363-S367 PolarHBondContact O-N 2.8Å; T363-S367 PolarHBondContact O-OG 2.82Å
364	R	94.9	Very high	92.5	Very high	129 Å²	129	66.8 Å²	66.8	49%	0.487	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-40.1	175.3	-70.9	-179.7	70.5	-167.3	2.6	112.4	Q360 A366 S367 A368	Q360-R364 WeakPolarHBondContact O-CB 2.91Å; Q360-R364 WeakPolarHBondContact O-CG 3.41Å; Q360-R364 PolarHBondContact O-N 3.43Å; R364-A366 VanDerWaalsContact C-N 3.29Å; R364-A366 PolarHBondContact O-N 2.78Å; R364-S367 PolarHBondContact O-N 3.2Å; R364-A368 WeakPolarHBondContact O-CB 3.43Å; R364-A368 PolarHBondContact O-N 3.46Å
365	Q	94.6	Very high	92.5	Very high	128 Å²	128	63.7 Å²	63.7	60%	0.598	36%	0.359	S	S	*	.	H	α-helix	trans	-61	-35.2	173.5	-77.8	174.6	-15.8	0	0	113.1	A361 T363 L369	A361-Q365 WeakPolarHBondContact O-CB 3.34Å; A361-Q365 VanDerWaalsContact O-CG 3.31Å; A361-Q365 WeakPolarHBondContact O-CG 3.31Å; A361-Q365 PolarHBondContact O-N 3.28Å; T363-Q365 VanDerWaalsContact C-N 3.35Å; T363-Q365 PolarHBondContact O-N 2.68Å; Q365-L369 WeakPolarHBondContact O-CG 3.25Å
366	A	94.4	Very high	92.1	Very high	27 Å²	27	71.9 Å²	71.9	22%	0.223	40%	0.398	C	S	.	.	H	α-helix	trans	-80	-32.9	175.1	0	0	0	0	0	113	Q362 T363 R364 A368 L369	Q362-A366 WeakPolarHBondContact O-CB 3.35Å; Q362-A366 PolarHBondContact O-N 2.97Å; T363-A366 PolarHBondContact O-N 2.71Å; T363-A366 VanDerWaalsContact O-N 3.11Å; R364-A366 VanDerWaalsContact C-N 3.29Å; R364-A366 PolarHBondContact O-N 2.78Å; A366-A368 VanDerWaalsContact C-N 3.33Å; A366-L369 PolarHBondContact O-N 3.32Å; A366-L369 VanDerWaalsContact O-N 3.09Å
367	S	95.1	Very high	92.1	Very high	3 Å²	3	70 Å²	70	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-68.5	-35.9	178.2	-47.6	0	0	0	0	111	E94 T363 R364 L369 I370	E94-S367 WeakPolarHBondContact OE1-CB 3.48Å; E94-S367 PolarHBondContact OE1-OG 3.14Å; T363-S367 WeakPolarHBondContact O-CB 3.45Å; T363-S367 PolarHBondContact O-N 2.8Å; T363-S367 PolarHBondContact O-OG 2.82Å; R364-S367 PolarHBondContact O-N 3.2Å; S367-L369 PolarHBondContact O-N 2.88Å; S367-L369 VanDerWaalsContact O-N 3.12Å; S367-I370 WeakPolarHBondContact O-CB 3.46Å; S367-I370 WeakPolarHBondContact O-CG1 3.4Å; S367-I370 PolarHBondContact O-N 3.24Å; S367-I370 VanDerWaalsContact O-N 3.1Å
368	A	93.9	Very high	91.7	Very high	78 Å²	78	75.6 Å²	75.6	65%	0.645	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-0	170.7	0	0	0	0	0	114.7	R364 A366	R364-A368 WeakPolarHBondContact O-CB 3.43Å; R364-A368 PolarHBondContact O-N 3.46Å; A366-A368 VanDerWaalsContact C-N 3.33Å
369	L	94.4	Very high	91	Very high	143 Å²	143	74 Å²	74	75%	0.749	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	13.1	172.7	-61.8	172.7	0	0	0	112	Q365 A366 S367 D371	Q365-L369 WeakPolarHBondContact O-CG 3.25Å; A366-L369 PolarHBondContact O-N 3.32Å; A366-L369 VanDerWaalsContact O-N 3.09Å; S367-L369 PolarHBondContact O-N 2.88Å; S367-L369 VanDerWaalsContact O-N 3.12Å; L369-D371 PolarHBondContact O-N 3.25Å; L369-D371 VanDerWaalsContact O-N 3.15Å
370	I	93.3	Very high	89.5	Confident	41 Å²	41	77 Å²	77	21%	0.21	42%	0.419	C	S	.	.			trans	-76.8	97.7	173	-65.4	172.2	0	0	0	108.5	L93 E94 E145 S367 R372	L93-I370 HydrophobicContact CB-CD1 3.85Å; L93-I370 HydrophobicContact CB-CG1 4.4Å; L93-I370 HydrophobicContact CD1-CD1 4.19Å; L93-I370 HydrophobicContact CD1-CG1 4.04Å; L93-I370 HydrophobicContact CD1-CG2 3.81Å; E94-I370 HydrophobicContact CG-CD1 4.11Å; E145-I370 HydrophobicContact CG-CD1 3.86Å; S367-I370 WeakPolarHBondContact O-CB 3.46Å; S367-I370 WeakPolarHBondContact O-CG1 3.4Å; S367-I370 PolarHBondContact O-N 3.24Å; S367-I370 VanDerWaalsContact O-N 3.1Å; I370-R372 HydrophobicContact CG2-CG 3.75Å
371	D	91.6	Very high	87.8	Confident	167 Å²	167	77.3 Å²	77.3	89%	0.893	42%	0.423	S	S	*	.			trans	-101.2	84.1	171.7	-173	14.2	0	0	0	109.5	L369	L369-D371 PolarHBondContact O-N 3.25Å; L369-D371 VanDerWaalsContact O-N 3.15Å
372	R	93.3	Very high	85.2	Confident	72 Å²	72	79.2 Å²	79.2	27%	0.272	43%	0.434	S	S	.	.	S	Bend	trans	-151.3	155.4	171.4	68.8	165.3	179.4	171.6	-3.6	110.8	N91 E145 I370	N91-R372 PolarHBondContact O-NH2 3.47Å; N91-R372 PolarHBondContact OD1-NH1 3.24Å; E145-R372 VanDerWaalsContact CD-NH2 3.25Å; E145-R372 IonicContact OE1-CZ 3.94Å; E145-R372 IonicContact OE1-NE 3.82Å; E145-R372 PolarHBondContact OE1-NE 3.12Å; E145-R372 IonicContact OE1-NH2 3.1Å; E145-R372 PolarHBondContact OE1-NH2 3.28Å; E145-R372 IonicContact OE2-NH2 3.18Å; E145-R372 PolarHBondContact OE2-NH2 2.88Å; E145-R372 VanDerWaalsContact OE2-NH2 3.12Å; I370-R372 HydrophobicContact CG2-CG 3.75Å
373	P	87.9	Confident	82.9	Confident	118 Å²	118	81.8 Å²	81.8	77%	0.766	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-59.3	148.7	164.3	27.3	-35.8	0	0	0	110.7
374	A	83.5	Confident	80.9	Confident	73 Å²	73	90.2 Å²	90.2	60%	0.603	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-54.3	130.2	176.2	0	0	0	0	0	110.2	Q376	A374-Q376 PolarHBondContact O-N 2.89Å
375	P	84.9	Confident	78.3	Confident	16 Å²	16	92.7 Å²	92.7	10%	0.104	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-66.6	131.1	-178.7	27.8	-34.7	0	0	0	110.2	I147 F377	I147-P375 HydrophobicContact CB-CG 3.94Å; I147-P375 HydrophobicContact CD1-CG 4.39Å; I147-P375 HydrophobicContact CG2-CG 3.78Å; P375-F377 VanDerWaalsContact O-CD1 3.25Å; P375-F377 WeakPolarHBondContact O-CD1 3.24Å
376	Q	81.6	Confident	75.4	Confident	192 Å²	192	94 Å²	94	90%	0.897	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-77.3	135.7	165.1	-69.7	178.6	-31.1	0	0	109.2	A374	A374-Q376 PolarHBondContact O-N 2.89Å
377	F	86.6	Confident	72.4	Confident	39 Å²	39	100.6 Å²	100.6	17%	0.171	52%	0.522	C	S	.	.			trans	-153.7	151.9	177.2	58.7	-90.6	0	0	0	109	D146 I147 Y150 P375 R379	D146-F377 HydrophobicContact CB-CE1 4.25Å; D146-F377 HydrophobicContact CB-CZ 4.44Å; I147-F377 HydrophobicContact CB-CD1 3.8Å; I147-F377 HydrophobicContact CB-CE1 3.58Å; I147-F377 HydrophobicContact CB-CZ 4.26Å; I147-F377 HydrophobicContact CD1-CB 4.26Å; I147-F377 HydrophobicContact CD1-CD1 3.84Å; I147-F377 HydrophobicContact CD1-CE1 4.5Å; I147-F377 HydrophobicContact CD1-CG 4.13Å; I147-F377 HydrophobicContact CG1-CD1 3.68Å; I147-F377 HydrophobicContact CG1-CE1 3.87Å; I147-F377 HydrophobicContact CG1-CG 4.06Å; I147-F377 HydrophobicContact CG1-CZ 4.4Å; Y150-F377 AromaticContact CD1-CD2 3.71Å; Y150-F377 HydrophobicContact CD1-CD2 3.71Å; Y150-F377 AromaticContact CD1-CE2 3.4Å; Y150-F377 HydrophobicContact CD1-CE2 3.4Å; Y150-F377 HydrophobicContact CD1-CZ 4.26Å; Y150-F377 AromaticContact CD2-CE2 3.99Å; Y150-F377 HydrophobicContact CD2-CE2 3.99Å; Y150-F377 AromaticContact CE1-CD2 3.88Å; Y150-F377 HydrophobicContact CE1-CD2 3.88Å; Y150-F377 AromaticContact CE1-CE2 3.94Å; Y150-F377 HydrophobicContact CE1-CE2 3.94Å; Y150-F377 HydrophobicContact CE2-CE2 4.48Å; Y150-F377 HydrophobicContact CG-CD2 4.19Å; Y150-F377 AromaticContact CG-CE2 3.41Å; Y150-F377 HydrophobicContact CG-CE2 3.41Å; Y150-F377 VanDerWaalsContact CG-CE2 3.41Å; Y150-F377 HydrophobicContact CG-CZ 4.07Å; P375-F377 VanDerWaalsContact O-CD1 3.25Å; P375-F377 WeakPolarHBondContact O-CD1 3.24Å; F377-R379 HydrophobicContact CD2-CG 4.31Å; F377-R379 HydrophobicContact CE2-CG 3.85Å
378	D	81.5	Confident	69.5	Low	145 Å²	145	106.3 Å²	106.3	78%	0.775	56%	0.56	S	S	*	*			trans	-78.9	129.8	-179.5	-59.9	-44.5	0	0	0	111	Y150 S380	Y150-D378 PolarHBondContact OH-O 2.85Å; D378-S380 PolarHBondContact O-N 2.85Å
379	R	80.7	Confident	66.7	Low	57 Å²	57	114 Å²	114	22%	0.215	57%	0.572	C	S	.	*			trans	-92.5	82.6	173.8	-70.2	179.1	171	93	-5	109	Y150 A182 E230 F377	Y150-R379 HydrophobicContact CD2-CG 4.31Å; Y150-R379 HydrophobicContact CE2-CB 4.36Å; Y150-R379 HydrophobicContact CE2-CG 4.08Å; A182-R379 WeakPolarHBondContact O-CB 3.39Å; A182-R379 WeakPolarHBondContact O-CD 3.36Å; E230-R379 WeakPolarHBondContact OE1-CD 3.1Å; E230-R379 IonicContact OE1-CZ 3.36Å; E230-R379 IonicContact OE1-NE 2.66Å; E230-R379 PolarHBondContact OE1-NE 2.91Å; E230-R379 IonicContact OE1-NH2 2.94Å; E230-R379 IonicContact OE2-CZ 3.87Å; E230-R379 IonicContact OE2-NE 2.59Å; E230-R379 IonicContact OE2-NH2 3.08Å; E230-R379 PolarHBondContact OE2-NH2 2.93Å; F377-R379 HydrophobicContact CD2-CG 4.31Å; F377-R379 HydrophobicContact CE2-CG 3.85Å
380	S	65.3	Low	63.7	Low	63 Å²	63	111.9 Å²	111.9	44%	0.441	57%	0.569	S	S	.	*			trans	-153.3	123.7	176	-68.7	0	0	0	0	108.5	Y150 E183 D378 S382	Y150-S380 PolarHBondContact OH-N 2.96Å; E183-S380 WeakPolarHBondContact OE2-CA 3.29Å; D378-S380 PolarHBondContact O-N 2.85Å; S380-S382 PolarHBondContact O-N 2.97Å
381	V	58.9	Low	61.3	Low	35 Å²	35	118 Å²	118	21%	0.212	60%	0.6	C	S	.	*			trans	-62.1	136.6	166.8	-106.7	0	0	0	0	109.7	L154 E183 K383	L154-V381 HydrophobicContact CD2-CG1 3.77Å; E183-V381 VanDerWaalsContact OE2-CG2 3.22Å; E183-V381 WeakPolarHBondContact OE2-CG2 3.39Å; E183-V381 PolarHBondContact OE2-N 2.86Å; V381-K383 PolarHBondContact O-N 3.1Å
382	S	40.5	Very low	58.8	Low	77 Å²	77	116.9 Å²	116.9	54%	0.538	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	25.4	174.9	-146	0	0	0	0	112.6	D65 S380	D65-S382 WeakPolarHBondContact O-CB 3.39Å; D65-S382 PolarHBondContact O-N 2.66Å; S380-S382 PolarHBondContact O-N 2.97Å
383	K	48.6	Very low	55.8	Low	114 Å²	114	117.3 Å²	117.3	50%	0.496	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-144.6	39.4	-168.2	-73.3	-176.2	172.3	168.5	0	112.6	V381 Y385	V381-K383 PolarHBondContact O-N 3.1Å; K383-Y385 PolarHBondContact O-N 3.23Å
384	R	52.6	Low	53	Low	178 Å²	178	116.4 Å²	116.4	67%	0.672	62%	0.623	S	S	*	*			trans	-60.5	99.2	143.2	-82.1	-166.5	-84	176.3	-9.9	106.5	E199 L386	E199-R384 WeakPolarHBondContact OE2-CD 3.34Å; E199-R384 WeakPolarHBondContact OE2-CG 3.37Å; R384-L386 VanDerWaalsContact C-N 3.33Å; R384-L386 PolarHBondContact O-N 2.91Å
385	Y	41.9	Very low	50.6	Low	181 Å²	181	118.6 Å²	118.6	71%	0.71	64%	0.635	S	S	*	*			trans	-78.5	85.7	-162.1	-148.8	-84.1	0	0	0	109	K383 Q387	K383-Y385 PolarHBondContact O-N 3.23Å; Y385-Q387 PolarHBondContact O-N 3.1Å
386	L	33.6	Very low	48	Very low	155 Å²	155	122.1 Å²	122.1	81%	0.812	67%	0.665	S	S	*	*			trans	-64.1	77.7	174.9	-71.5	176.3	0	0	0	110.3	R384 P388	R384-L386 VanDerWaalsContact C-N 3.33Å; R384-L386 PolarHBondContact O-N 2.91Å; L386-P388 VanDerWaalsContact O-CD 3.29Å; L386-P388 WeakPolarHBondContact O-CD 3.38Å
387	Q	31.2	Very low	45.6	Very low	165 Å²	165	121.7 Å²	121.7	77%	0.771	67%	0.668	S	S	*	*			trans	-58	118.6	163.5	-167.3	178.1	30.7	0	0	106.6	Y385 R389	Y385-Q387 PolarHBondContact O-N 3.1Å; Q387-R389 PolarHBondContact O-N 3.02Å
388	P	33.2	Very low	42.9	Very low	123 Å²	123	122.8 Å²	122.8	80%	0.799	69%	0.69	S	S	*	*			trans	-64.1	105.8	-173.4	-24.1	34.9	0	0	0	110.6	L386 S390	L386-P388 VanDerWaalsContact O-CD 3.29Å; L386-P388 WeakPolarHBondContact O-CD 3.38Å; P388-S390 PolarHBondContact O-N 3.28Å; P388-S390 VanDerWaalsContact O-N 3.12Å
389	R	35.3	Very low	40.5	Very low	241 Å²	241	123.7 Å²	123.7	91%	0.909	70%	0.695	S	S	*	*			trans	-59	117.3	161.3	-78.6	-173.9	174	167.2	0.9	106.4	Q387 I391	Q387-R389 PolarHBondContact O-N 3.02Å; R389-I391 PolarHBondContact O-N 2.96Å
390	S	31.6	Very low	38.3	Very low	97 Å²	97	126.2 Å²	126.2	68%	0.678	72%	0.722	S	S	*	*			trans	-53.2	115	-180	162.1	0	0	0	0	109.2	P388 D392	P388-S390 PolarHBondContact O-N 3.28Å; P388-S390 VanDerWaalsContact O-N 3.12Å; S390-D392 PolarHBondContact O-N 3.35Å; S390-D392 PolarHBondContact OG-OD2 3.35Å
391	I	42.5	Very low	36.5	Very low	170 Å²	170	131.7 Å²	131.7	87%	0.872	74%	0.743	S	S	*	*			trans	-92.6	76.6	175.5	-179.1	167.8	0	0	0	108.7	R389	R389-I391 PolarHBondContact O-N 2.96Å
392	D	39	Very low	35.2	Very low	144 Å²	144	135.7 Å²	135.7	77%	0.77	76%	0.763	S	S	*	*			trans	-119	134.2	168.3	-85.4	-58.4	0	0	0	110	S390	S390-D392 PolarHBondContact O-N 3.35Å; S390-D392 PolarHBondContact OG-OD2 3.35Å
393	G	31.3	Very low	34.8	Very low	81 Å²	81	139.7 Å²	139.7	84%	0.835	77%	0.773	S	S	*	*			trans	84.5	45	157.7	0	0	0	0	0	118.9	S395	G393-S395 PolarHBondContact O-N 2.69Å
394	A	29.6	Very low	33.9	Very low	98 Å²	98	141.8 Å²	141.8	81%	0.81	79%	0.788	S	S	*	*			trans	-77.1	115.1	158.7	0	0	0	0	0	110.9
395	S	31.8	Very low	32.8	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	80%	0.798	S	S	*	*			trans	175.9	132.5	140.1	-82.7	0	0	0	0	115.7	G393	G393-S395 PolarHBondContact O-N 2.69Å
396	A	29.9	Very low	32.3	Very low	90 Å²	90	138.7 Å²	138.7	74%	0.744	80%	0.802	S	S	*	*			trans	48.3	107.8	141.1	0	0	0	0	0	121.2
397	L	33.2	Very low	32.1	Very low	182 Å²	182	142.9 Å²	142.9	95%	0.953	81%	0.807	S	S	*	*				-167.7	170.9	91.5	-98.2	164.5	0	0	0	110.5
398	G	29.2	Very low	32	Very low	63 Å²	63	140.1 Å²	140.1	65%	0.649	81%	0.806	S	S	*	*			trans	-130	-173.9	-174.4	0	0	0	0	0	114.8
399	D	31.8	Very low	31.8	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	80%	0.803	S	S	*	*			trans	69.1	116.6	171.6	-61.8	-23.9	0	0	0	120.3
400	S	34.2	Very low	31.5	Very low	111 Å²	111	132 Å²	132	78%	0.776	79%	0.789	S	S	*	*			trans	30.5	131.4	137.9	-59.5	0	0	0	0	122.2
401	M	27.6	Very low	31.5	Very low	178 Å²	178	134.9 Å²	134.9	88%	0.877	79%	0.792	S	S	*	*				-174.6	166	97.1	-167.3	150.4	-78.5	0	0	113.1
402	D	31.8	Very low	30.8	Very low	118 Å²	118	137 Å²	137	63%	0.631	79%	0.789	S	S	*	*			trans	-58.6	144.9	-177	-80.2	-97.4	0	0	0	120.3
403	Q	31.1	Very low	30.3	Very low	162 Å²	162	134.8 Å²	134.8	76%	0.757	78%	0.781	S	S	*	*			trans	69.7	162.9	133.8	-67.1	175.3	60.1	0	0	122.1
404	L	30.5	Very low	30.2	Very low	157 Å²	157	139.5 Å²	139.5	82%	0.822	78%	0.781	S	S	*	*			trans	72.3	95.3	168.8	-54.2	-178.2	0	0	0	118.5
405	S	29.1	Very low	30	Very low	125 Å²	125	144.1 Å²	144.1	87%	0.874	78%	0.783	S	S	*	*				-154.9	147.4	105.8	-165	0	0	0	0	112.1
406	Q	30.1	Very low	29.8	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	78%	0.783	S	S	*	*			trans	-106.7	131.1	179	-63.6	173.6	-6.3	0	0	111
407	R	30.8	Very low	29.7	Very low	242 Å²	242	147.1 Å²	147.1	91%	0.913	78%	0.782	S	S	*	*			trans	172.8	125.8	136.8	-93.8	154.4	-174.1	-146.8	-1.3	108.9
408	S	28.1	Very low	29.6	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	77%	0.772	S	S	*	*				74.2	120.1	80.5	-145.7	0	0	0	0	110.9
409	S	29	Very low	29.8	Very low	105 Å²	105	151 Å²	151	73%	0.734	77%	0.77	S	S	*	*			cis	-148.3	173.3	16.6	-58.8	0	0	0	0	113.5
410	S	29.4	Very low	29.6	Very low	88 Å²	88	150.3 Å²	150.3	62%	0.615	77%	0.766	S	S	*	*			trans	-5.4	134.9	156.5	-69.2	0	0	0	0	118.9
411	E	32.3	Very low	29.6	Very low	159 Å²	159	152.1 Å²	152.1	74%	0.743	77%	0.766	S	S	*	*				55.7	139.6	89.2	-48.4	159.2	93.3	0	0	113.2
412	R	27	Very low	29.8	Very low	214 Å²	214	149.8 Å²	149.8	81%	0.808	76%	0.758	S	S	*	*			cis	-166	171.9	47.1	-170.7	155.5	178.1	159.6	1.1	112.8
413	T	29.6	Very low	29.6	Very low	98 Å²	98	151.7 Å²	151.7	60%	0.601	76%	0.763	S	S	*	*			trans	-40	160.3	170.1	55.1	0	0	0	0	115
414	Q	28.1	Very low	29.5	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	77%	0.766	S	S	*	*			cis	-164.8	177.5	48.2	-143.3	130.7	-4.5	0	0	115.9
415	F	25.5	Very low	29.4	Very low	195 Å²	195	148.6 Å²	148.6	86%	0.855	77%	0.765	S	S	*	*			trans	-80.6	177.2	178.4	-101.9	-114.8	0	0	0	113.9
416	M	27	Very low	29.3	Very low	170 Å²	170	147.8 Å²	147.8	84%	0.837	76%	0.76	S	S	*	*			trans	83.4	144.1	165.1	-49.1	-168.4	76.4	0	0	115.5
417	S	27.9	Very low	29.2	Very low	103 Å²	103	147 Å²	147	72%	0.72	76%	0.76	S	S	*	*			cis	-159.9	-178	-10.5	-111.9	0	0	0	0	112.1
418	R	32.3	Very low	29.1	Very low	194 Å²	194	142 Å²	142	73%	0.732	75%	0.751	S	S	*	*			trans	-54.6	156.7	-179.4	-70.8	162.8	62.4	-161.1	-9.2	116.5
419	E	31.9	Very low	29.3	Very low	131 Å²	131	144 Å²	144	61%	0.612	75%	0.753	S	S	*	*			trans	69.4	118.8	142.6	-75.4	147	-166.3	0	0	120.8
420	D	29.5	Very low	29.3	Very low	149 Å²	149	146 Å²	146	80%	0.797	76%	0.755	S	S	*	*				-178.4	-178.8	95.4	-94.8	-23.5	0	0	0	111.8
421	L	33.5	Very low	29.3	Very low	149 Å²	149	149.2 Å²	149.2	78%	0.78	76%	0.76	S	S	*	*			trans	88.9	74.6	168.8	-56.7	177.1	0	0	0	119.9
422	D	31	Very low	29.2	Very low	130 Å²	130	147.9 Å²	147.9	70%	0.695	76%	0.758	S	S	*	*				54.7	110.4	101.2	-49.1	-7.9	0	0	0	121.8
423	Q	29	Very low	29.2	Very low	158 Å²	158	143.1 Å²	143.1	74%	0.738	75%	0.745	S	S	*	*				78.9	130.8	118.9	-164	159.9	-14.7	0	0	123.3
424	E	28.6	Very low	29.1	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	75%	0.751	S	S	*	*			trans	67.9	162.8	158.6	-84.9	173.6	-125.3	0	0	120.9
425	G	27.1	Very low	29.1	Very low	79 Å²	79	143.1 Å²	143.1	81%	0.814	73%	0.734	S	S	*	*			trans	122.7	91.1	172.7	0	0	0	0	0	114.8
426	S	28	Very low	29.2	Very low	108 Å²	108	144 Å²	144	76%	0.755	73%	0.733	S	S	*	*			trans	-89.4	168.1	-178	53.1	0	0	0	0	114.7
427	L	28.3	Very low	29.1	Very low	152 Å²	152	142.5 Å²	142.5	80%	0.796	72%	0.724	S	S	*	*			trans	101.6	159.4	157.6	-57	-178.7	0	0	0	119.9
428	D	28.6	Very low	29	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	73%	0.732	S	S	*	*			trans	60.4	122.7	175.4	-53.4	-21.1	0	0	0	117.5
429	L	31.6	Very low	28.7	Very low	149 Å²	149	142.6 Å²	142.6	78%	0.78	73%	0.727	S	S	*	*			cis	99.3	156.4	37.4	-79.6	173.5	0	0	0	114.2
430	D	30	Very low	28.4	Very low	146 Å²	146	143.4 Å²	143.4	78%	0.781	74%	0.735	S	S	*	*			trans	66.3	73	167.9	-58.6	-6.5	0	0	0	118.1
431	H	28.8	Very low	28.2	Very low	156 Å²	156	143.7 Å²	143.7	72%	0.722	73%	0.732	S	S	*	*			trans	-35.8	134.4	130.8	-172.7	95.4	0	0	0	113.4	H433	H431-H433 AromaticContact NE2-CD2 3.56Å
432	D	30.6	Very low	27.9	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	74%	0.735	S	S	*	*			trans	-175.9	162.9	137.4	-103.8	0.7	0	0	0	111.1
433	H	27.3	Very low	27.7	Very low	115 Å²	115	146.1 Å²	146.1	53%	0.532	74%	0.736	S	S	.	*			cis	-172.7	-167.2	-43.8	-165	-122	0	0	0	107.9	H431 L435	H431-H433 AromaticContact NE2-CD2 3.56Å; H433-L435 VanDerWaalsContact CE1-CD1 3.43Å; H433-L435 WeakPolarHBondContact CE1-CD1 3.48Å
434	Y	27.3	Very low	27.5	Very low	184 Å²	184	146.4 Å²	146.4	72%	0.722	74%	0.742	S	S	*	*			trans	80.7	140.6	164.4	-55.1	-78.9	0	0	0	119.4
435	L	27.3	Very low	27.5	Very low	94 Å²	94	146.2 Å²	146.2	49%	0.492	74%	0.741	S	S	.	*			cis	-165.4	-165.9	-32.4	-146	76.1	0	0	0	109.8	H433	H433-L435 VanDerWaalsContact CE1-CD1 3.43Å; H433-L435 WeakPolarHBondContact CE1-CD1 3.48Å
436	Y	27.2	Very low	27.5	Very low	214 Å²	214	151.3 Å²	151.3	84%	0.839	74%	0.744	S	S	*	*			trans	74	99.6	-175.8	-59.3	-75.8	0	0	0	112.4
437	Q	25.8	Very low	27.4	Very low	137 Å²	137	151.1 Å²	151.1	64%	0.64	75%	0.749	S	S	*	*			cis	55.4	107.3	31	-170.4	-174.8	8.9	0	0	113.2
438	D	26.2	Very low	27.5	Very low	164 Å²	164	151.9 Å²	151.9	88%	0.877	75%	0.748	S	S	*	*			trans	-137	163.6	131	-150.7	-8.5	0	0	0	109.3
439	Q	24.6	Very low	27.6	Very low	135 Å²	135	152 Å²	152	63%	0.631	74%	0.744	S	S	*	*			trans	-132.1	139.1	-168.6	168.1	-178.4	-5.6	0	0	109.2
440	D	26.5	Very low	27.7	Very low	149 Å²	149	153.9 Å²	153.9	80%	0.797	75%	0.749	S	S	*	*			trans	-150.1	148.7	151.6	-133	-26.7	0	0	0	113.5
441	Q	26.1	Very low	27.7	Very low	154 Å²	154	154.4 Å²	154.4	72%	0.72	75%	0.752	S	S	*	*			trans	-149.1	113.6	-173.8	-178.1	-174.6	119.9	0	0	109.4
442	Y	26.4	Very low	27.7	Very low	215 Å²	215	150.3 Å²	150.3	84%	0.843	75%	0.752	S	S	*	*			trans	-118.3	116.4	172.8	-104.4	-86.9	0	0	0	111.8
443	T	26.6	Very low	27.7	Very low	116 Å²	116	149.5 Å²	149.5	71%	0.712	74%	0.744	S	S	*	*			trans	-70.9	142.4	157.6	41.5	0	0	0	0	110.2
444	D	25.7	Very low	28	Very low	163 Å²	163	151.6 Å²	151.6	87%	0.872	75%	0.751	S	S	*	*			trans	-149.1	149.7	136.1	-133.8	-16.7	0	0	0	110.7
445	Q	27.3	Very low	28.1	Very low	172 Å²	172	151.7 Å²	151.7	80%	0.804	76%	0.758	S	S	*	*			trans	-152.5	151.5	-177.1	-161.8	167.2	116	0	0	110.9
446	E	27.3	Very low	29.2	Very low	185 Å²	185	152.1 Å²	152.1	86%	0.864	77%	0.767	S	S	*	*			trans	73.3	120.9	175.3	-47.8	-161.4	118.1	0	0	118.1
447	A	26.9	Very low	29.1	Very low	104 Å²	104	149 Å²	149	86%	0.86	77%	0.77	S	S	*	*			trans	-160.9	127.6	130.6	0	0	0	0	0	109.5
448	E	28.5	Very low	29.2	Very low	168 Å²	168	145.9 Å²	145.9	79%	0.785	77%	0.774	S	S	*	*			trans	-107.8	157.5	171.2	-90.3	-135.9	90.3	0	0	111.6
449	H	32.7	Very low	29.3	Very low	142 Å²	142	142.3 Å²	142.3	66%	0.657	77%	0.767	S	S	*	*			trans	70	118.3	149.2	-82.2	51	0	0	0	121.8
450	Q	31.6	Very low	29.7	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	78%	0.778	S	S	*	*				75.4	158	125.4	-150	158.5	99.7	0	0	120.6
451	D	30.2	Very low	29.7	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	78%	0.775	S	S	*	*			trans	-79.1	147.2	-168.3	-176.3	34.6	0	0	0	113.7
452	G	30.1	Very low	29.8	Very low	70 Å²	70	139.5 Å²	139.5	72%	0.722	78%	0.777	S	S	*	*			trans	-179.9	138.6	-179.2	0	0	0	0	0	112.7
453	Q	30.4	Very low	29.9	Very low	115 Å²	115	135.6 Å²	135.6	54%	0.537	78%	0.775	S	S	.	*			trans	-135	140.7	-169.4	-151.4	-164	21.9	0	0	113.2	M1	M1-Q453 HydrophobicContact CE-CG 3.98Å; M1-Q453 HydrophobicContact SD-CG 3.5Å; M1-Q453 WeakPolarHBondContact SD-CG 3.46Å
454	K	32.3	Very low	31.4	Very low	159 Å²	159	135.3 Å²	135.3	69%	0.691	78%	0.775	S	S	*	*			trans	95	109.5	157.4	-53.3	173.8	-170.6	172.5	0	120
455	Q	29.6	Very low	31.6	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.864	77%	0.765	S	S	*	*				73.9	156.7	128.2	-63.3	-120.8	33.5	0	0	120.6
456	P	51.1	Low	31.9	Very low	103 Å²	103	134 Å²	134	67%	0.669	77%	0.768	S	S	*	*			trans	-130.4	-160.1	-150.3	43.6	-25.8	0	0	0	116
457	V	25.4	Very low	32.1	Very low	150 Å²	150	128.5 Å²	128.5	91%	0.909	76%	0.755	S	S	*	*			trans	78	132.5	-173.7	-169.4	0	0	0	0	111.8
458	G	26.8	Very low	32.4	Very low	70 Å²	70	130.2 Å²	130.2	72%	0.722	75%	0.749	S	S	*	*			cis	146.8	157.4	12.1	0	0	0	0	0	107
459	A	29.1	Very low	32.4	Very low	89 Å²	89	129.6 Å²	129.6	74%	0.736	75%	0.746	S	S	*	*			cis	-164.8	-166.1	1.9	0	0	0	0	0	110.3
460	I	32.2	Very low	32.5	Very low	166 Å²	166	130.4 Å²	130.4	85%	0.851	75%	0.754	S	S	*	*			trans	66.1	112.5	155.8	58.2	167.2	0	0	0	123.7
461	S	27.7	Very low	32.4	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	75%	0.748	S	S	*	*				128.5	138.3	111.8	-163.1	0	0	0	0	120.5
462	S	26.8	Very low	32.3	Very low	107 Å²	107	127.9 Å²	127.9	75%	0.748	74%	0.738	S	S	*	*			trans	73.3	120.1	145.9	38.4	0	0	0	0	123.7
463	T	29.7	Very low	32.2	Very low	133 Å²	133	133.9 Å²	133.9	82%	0.816	75%	0.748	S	S	*	*			trans	-108.3	-164	154	59	0	0	0	0	108
464	P	57	Low	32.1	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	76%	0.763	S	S	*	*			cis	-128.1	-161.4	-1.7	33.5	-8	0	0	0	113.2
465	T	30.1	Very low	33	Very low	106 Å²	106	134.9 Å²	134.9	65%	0.65	76%	0.764	S	S	*	*				178.3	126.7	61.7	-43.1	0	0	0	0	115
466	K	33.6	Very low	32.7	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	76%	0.759	S	S	*	*			trans	54.4	164.5	146	-66.3	-179.6	-177.2	-175.7	0	123.5
467	A	33	Very low	31.6	Very low	71 Å²	71	132.6 Å²	132.6	59%	0.587	77%	0.768	S	S	*	*			cis	178.1	177.2	-31.4	0	0	0	0	0	111.5
468	L	32.6	Very low	33	Very low	140 Å²	140	130.3 Å²	130.3	73%	0.733	76%	0.756	S	S	*	*			trans	80.3	128.2	164.8	-42.3	-176.6	0	0	0	117.2
469	E	28.6	Very low	33.1	Very low	154 Å²	154	134.2 Å²	134.2	72%	0.72	76%	0.759	S	S	*	*			cis	95.2	137.6	25.4	-63.2	139.3	-117	0	0	113.3
470	L	33.7	Very low	33	Very low	160 Å²	160	136.8 Å²	136.8	84%	0.838	76%	0.76	S	S	*	*			cis	-168.8	-179	5.5	-120.9	171.6	0	0	0	112.2
471	K	29.9	Very low	32.8	Very low	173 Å²	173	134.1 Å²	134.1	75%	0.752	75%	0.752	S	S	*	*			trans	116.5	123.2	136.1	-151	168.5	-176.9	-178.2	0	124.7
472	D	28.9	Very low	32.8	Very low	117 Å²	117	138.4 Å²	138.4	63%	0.626	76%	0.757	S	S	*	*			trans	50.9	140.9	141	-53.8	-4.7	0	0	0	131
473	E	28	Very low	33.8	Very low	197 Å²	197	138.6 Å²	138.6	92%	0.921	76%	0.756	S	S	*	*			trans	80.8	160	134.1	-78.7	-176.3	144.9	0	0	127.3
474	E	28.5	Very low	33.6	Very low	182 Å²	182	140 Å²	140	85%	0.85	75%	0.753	S	S	*	*			trans	-111.9	-163.2	-169.4	-130	-162.7	136.9	0	0	111.3
475	P	49.8	Very low	32.2	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	75%	0.75	S	S	*	*			cis	-127.6	-175.7	-34.5	38.9	-22.6	0	0	0	113.7
476	G	23.6	Very low	32.1	Very low	73 Å²	73	144.2 Å²	144.2	75%	0.753	75%	0.754	S	S	*	*			trans	154.7	161.2	161.5	0	0	0	0	0	120.5
477	I	28.3	Very low	32	Very low	168 Å²	168	141.3 Å²	141.3	86%	0.862	75%	0.747	S	S	*	*			trans	-152.7	-179	-178.9	5.7	172.1	0	0	0	109.5
478	P	55.9	Low	31.9	Very low	102 Å²	102	144 Å²	144	66%	0.662	75%	0.752	S	S	*	*			cis	-133.3	-153.7	-25.4	27.2	-1.3	0	0	0	113.1
479	I	28.3	Very low	31.9	Very low	151 Å²	151	146.7 Å²	146.7	77%	0.774	76%	0.757	S	S	*	*			trans	116.1	119.7	146.4	-64.1	168.8	0	0	0	122.2
480	D	27	Very low	32.9	Very low	143 Å²	143	145 Å²	145	77%	0.765	76%	0.759	S	S	*	*			trans	63.9	-177.4	149.1	-105.9	-55.1	0	0	0	128.1
481	T	27.7	Very low	32.9	Very low	110 Å²	110	145.9 Å²	145.9	68%	0.675	76%	0.76	S	S	*	*			trans	-128.7	147.4	-136.6	46.7	0	0	0	0	120
482	K	27.3	Very low	33.5	Very low	198 Å²	198	145 Å²	145	86%	0.861	76%	0.763	S	S	*	*			trans	60.2	172	142.4	-87	-177	175.9	177.6	0	120.6
483	P	47.8	Very low	34.2	Very low	111 Å²	111	145.4 Å²	145.4	72%	0.721	77%	0.77	S	S	*	*			cis	-122.4	-165.3	-10.8	42.7	-27.9	0	0	0	112.3
484	E	27.1	Very low	34.9	Very low	161 Å²	161	143.6 Å²	143.6	75%	0.752	77%	0.765	S	S	*	*			cis	-117.2	-116.5	-10	-72.7	-172.3	92.8	0	0	110.1
485	Q	27.1	Very low	35.9	Very low	137 Å²	137	142.2 Å²	142.2	64%	0.64	76%	0.759	S	S	*	*			cis	-157.9	173.8	-14.1	-143.1	172.2	62.3	0	0	112
486	F	27.4	Very low	35.8	Very low	167 Å²	167	145.9 Å²	145.9	73%	0.732	76%	0.763	S	S	*	*			trans	52.5	87.6	170.1	-84.3	-80.3	0	0	0	120.5
487	L	31	Very low	36.9	Very low	140 Å²	140	150 Å²	150	73%	0.733	76%	0.762	S	S	*	*				51.9	138.9	121.7	-79	151.7	0	0	0	124.9
488	D	31.4	Very low	37.6	Very low	129 Å²	129	148 Å²	148	69%	0.69	75%	0.75	S	S	*	*			trans	68.9	83.7	149.4	-70.6	-26.7	0	0	0	124.1
489	K	31.6	Very low	37	Very low	195 Å²	195	146.1 Å²	146.1	85%	0.848	74%	0.743	S	S	*	*				67.3	160.5	113.8	-81.1	-163.8	171.1	-178.3	0	121.4
490	P	50.6	Low	38	Very low	118 Å²	118	142.7 Å²	142.7	77%	0.766	73%	0.732	S	S	*	*			trans	-129.9	136.1	-144.2	39	-22.5	0	0	0	116.9
491	E	33.7	Very low	39.2	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	72%	0.719	S	S	*	*			trans	-161.4	84.9	164.3	-155	162.7	-166.9	0	0	114.9
492	D	41.8	Very low	40	Very low	153 Å²	153	140 Å²	140	82%	0.818	71%	0.712	S	S	*	*	S	Bend	trans	-156	29.6	171.7	-146.6	-2.4	0	0	0	117.8
493	V	45	Very low	41.1	Very low	127 Å²	127	137.7 Å²	137.7	77%	0.77	71%	0.705	S	S	*	*	S	Bend	trans	-121.7	-29.8	176.4	-176.1	0	0	0	0	113.5
494	L	41.5	Very low	41.1	Very low	159 Å²	159	138.5 Å²	138.5	83%	0.832	70%	0.703	S	S	*	*	S	Bend	trans	-75.5	-27.5	-176.1	-72	171.5	0	0	0	114.3	K496	L494-K496 VanDerWaalsContact C-N 3.34Å; L494-K496 PolarHBondContact O-N 3.24Å
495	Q	50.2	Low	42	Very low	152 Å²	152	137.9 Å²	137.9	71%	0.71	70%	0.697	S	S	*	*	H	α-helix	trans	-71.7	-25.2	-179.1	-67.1	-163.4	10.5	0	0	113.8	H497 Q498	Q495-H497 VanDerWaalsContact C-N 3.35Å; Q495-H497 PolarHBondContact O-N 3.14Å; Q495-Q498 PolarHBondContact O-N 2.91Å
496	K	47.7	Very low	43	Very low	190 Å²	190	141 Å²	141	83%	0.826	70%	0.703	S	S	*	*	H	α-helix	trans	-75.2	-19.9	-173.6	-155.7	166.1	-171.9	170.1	0	114.2	L494	L494-K496 VanDerWaalsContact C-N 3.34Å; L494-K496 PolarHBondContact O-N 3.24Å
497	H	47.1	Very low	43.9	Very low	158 Å²	158	137 Å²	137	73%	0.731	70%	0.701	S	S	*	*	H	α-helix	trans	-87.3	-33.7	175.6	-158.7	71.3	0	0	0	112.7	Q495 A499	Q495-H497 VanDerWaalsContact C-N 3.35Å; Q495-H497 PolarHBondContact O-N 3.14Å; H497-A499 VanDerWaalsContact C-N 3.34Å; H497-A499 PolarHBondContact O-N 2.99Å
498	Q	41.7	Very low	44.4	Very low	127 Å²	127	138.1 Å²	138.1	59%	0.593	71%	0.707	S	S	*	*	H	α-helix	trans	-72.1	-23.7	-173.7	-169.4	60.6	9	0	0	114	Q495 S500	Q495-Q498 PolarHBondContact O-N 2.91Å; Q498-S500 PolarHBondContact O-N 3.11Å
499	A	44.9	Very low	45	Very low	63 Å²	63	140.9 Å²	140.9	52%	0.521	71%	0.713	S	S	.	*	H	α-helix	trans	-64.6	-35.1	-179.3	0	0	0	0	0	113.7	H497 I501 N502	H497-A499 VanDerWaalsContact C-N 3.34Å; H497-A499 PolarHBondContact O-N 2.99Å; A499-I501 VanDerWaalsContact C-N 3.27Å; A499-I501 PolarHBondContact O-N 3.11Å; A499-I501 VanDerWaalsContact O-N 3.16Å; A499-N502 PolarHBondContact O-N 3.12Å
500	S	49.3	Very low	45.2	Very low	79 Å²	79	138.7 Å²	138.7	55%	0.552	71%	0.706	S	S	*	*	H	α-helix	trans	-68.8	-17.7	-167.3	-170.5	0	0	0	0	115.1	Q498	Q498-S500 PolarHBondContact O-N 3.11Å
501	I	51.1	Low	44.5	Very low	94 Å²	94	139.1 Å²	139.1	48%	0.482	71%	0.708	S	S	.	*	H	α-helix	trans	-90.2	-25.8	-175.7	-66.2	178.5	0	0	0	112.1	A499	A499-I501 VanDerWaalsContact C-N 3.27Å; A499-I501 PolarHBondContact O-N 3.11Å; A499-I501 VanDerWaalsContact O-N 3.16Å
502	N	45.3	Very low	44.3	Very low	101 Å²	101	138 Å²	138	54%	0.54	71%	0.708	S	S	.	*	H	α-helix	trans	-87.5	-25.4	-176.7	-79	-27.1	0	0	0	113.9	A499 K505 R506	A499-N502 PolarHBondContact O-N 3.12Å; N502-K505 PolarHBondContact O-N 3.37Å; N502-R506 PolarHBondContact O-N 2.91Å; N502-R506 VanDerWaalsContact O-N 3.13Å
503	E	50.1	Low	43.7	Very low	151 Å²	151	135 Å²	135	71%	0.706	70%	0.699	S	S	*	*	H	α-helix	trans	-64.2	-43.2	170.3	-65.5	-160.1	118.9	0	0	111.8	K505 R506 A507	E503-K505 VanDerWaalsContact C-N 3.29Å; E503-K505 PolarHBondContact O-N 3.01Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 3.1Å; E503-A507 PolarHBondContact O-N 3.48Å
504	L	46.8	Very low	43.1	Very low	128 Å²	128	138.3 Å²	138.3	67%	0.67	70%	0.703	S	S	*	*	H	α-helix	trans	-61.7	-33.2	177.6	-88.3	159.8	0	0	0	113.2
505	K	46.9	Very low	42.5	Very low	148 Å²	148	140.6 Å²	140.6	64%	0.643	71%	0.706	S	S	*	*	H	α-helix	trans	-76.3	-27.4	173.2	-71.7	179.7	179.3	175	0	113	N502 E503	N502-K505 PolarHBondContact O-N 3.37Å; E503-K505 VanDerWaalsContact C-N 3.29Å; E503-K505 PolarHBondContact O-N 3.01Å
506	R	47.6	Very low	41.6	Very low	203 Å²	203	137.6 Å²	137.6	77%	0.766	71%	0.708	S	S	*	*	H	α-helix	trans	-75.5	-36.6	174.7	-162.6	177.7	-117.7	176.4	-0.5	111.8	N502 E503 L508 K509	N502-R506 PolarHBondContact O-N 2.91Å; N502-R506 VanDerWaalsContact O-N 3.13Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 3.1Å; R506-L508 VanDerWaalsContact C-N 3.28Å; R506-L508 PolarHBondContact O-N 3.17Å; R506-K509 PolarHBondContact O-N 3.35Å
507	A	47	Very low	41.2	Very low	83 Å²	83	134.2 Å²	134.2	69%	0.686	71%	0.705	S	S	*	*	H	α-helix	trans	-65	-24.2	179.1	0	0	0	0	0	114.5	E503	E503-A507 PolarHBondContact O-N 3.48Å
508	L	41.8	Very low	40.4	Very low	162 Å²	162	137.6 Å²	137.6	85%	0.848	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	2.9	-176.2	-149.1	74.6	0	0	0	114.4	R506	R506-L508 VanDerWaalsContact C-N 3.28Å; R506-L508 PolarHBondContact O-N 3.17Å
509	K	44.1	Very low	39.9	Very low	187 Å²	187	138 Å²	138	81%	0.813	71%	0.714	S	S	*	*	S	Bend	trans	-125.4	15	-169.8	-119.9	-174.5	-178.6	-172.8	0	116.5	R506	R506-K509 PolarHBondContact O-N 3.35Å
510	Q	35.2	Very low	39.3	Very low	150 Å²	150	142.7 Å²	142.7	70%	0.701	72%	0.722	S	S	*	*			trans	-117.1	124.4	171.7	-70.8	-161.4	-4.4	0	0	113	N512	Q510-N512 PolarHBondContact O-N 3.07Å; Q510-N512 VanDerWaalsContact O-N 3.1Å
511	P	36.5	Very low	38.4	Very low	127 Å²	127	150.4 Å²	150.4	83%	0.825	74%	0.739	S	S	*	*			trans	-80.4	86.1	172.6	32.9	-32.7	0	0	0	110	S513	P511-S513 PolarHBondContact O-N 3.29Å
512	N	28.6	Very low	37.3	Very low	155 Å²	155	153.8 Å²	153.8	83%	0.829	76%	0.757	S	S	*	*			trans	-74.5	126.7	-171.2	-156.5	-12.4	0	0	0	112.1	Q510	Q510-N512 PolarHBondContact O-N 3.07Å; Q510-N512 VanDerWaalsContact O-N 3.1Å
513	S	28.9	Very low	37	Very low	90 Å²	90	154.7 Å²	154.7	63%	0.629	77%	0.769	S	S	*	*			trans	-142.9	133.7	-175.7	85.4	0	0	0	0	114.7	P511	P511-S513 PolarHBondContact O-N 3.29Å
514	K	32.9	Very low	35.9	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.857	77%	0.773	S	S	*	*			trans	60.7	126.5	156.7	-61.9	177.6	177.9	173.9	0	120.6
515	K	29.7	Very low	34.9	Very low	207 Å²	207	151 Å²	151	90%	0.9	78%	0.775	S	S	*	*				-131	113.8	127.7	-65	-175.3	-179	179.4	0	105.5
516	A	30.1	Very low	34	Very low	90 Å²	90	150.1 Å²	150.1	74%	0.744	78%	0.783	S	S	*	*				86.7	154.3	70.7	0	0	0	0	0	112.5
517	P	39.9	Very low	34.2	Very low	119 Å²	119	145.9 Å²	145.9	77%	0.773	78%	0.781	S	S	*	*			cis	-138.9	158.4	-28	37	-20.8	0	0	0	115.3
518	R	29.9	Very low	34.3	Very low	229 Å²	229	147.9 Å²	147.9	86%	0.864	79%	0.787	S	S	*	*			trans	-169.6	138.5	141.9	-116.2	173.9	171.7	117.7	-1.4	113.7
519	E	31.7	Very low	33.5	Very low	136 Å²	136	145 Å²	145	64%	0.636	79%	0.786	S	S	*	*			trans	13.9	142.7	147	-62.1	-167.3	123.1	0	0	120.8
520	K	32.6	Very low	32.8	Very low	160 Å²	160	139.7 Å²	139.7	70%	0.696	79%	0.785	S	S	*	*			cis	-167	155.3	26.5	-121.3	150.1	-172.4	144.3	0	112.3
521	R	29.6	Very low	32.5	Very low	242 Å²	242	139.1 Å²	139.1	91%	0.913	79%	0.792	S	S	*	*			trans	65.8	118.3	158	-77	-177.3	172	151.2	-1.4	122.7
522	L	27.9	Very low	33	Very low	164 Å²	164	138.7 Å²	138.7	86%	0.859	79%	0.789	S	S	*	*			trans	-75	179.9	146.4	-76.7	167.6	0	0	0	110.3
523	P	39.8	Very low	33	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	77%	0.773	S	S	*	*			cis	-133.5	-165.9	20.6	42.4	-22.2	0	0	0	113.3
524	S	25.7	Very low	33.1	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	78%	0.78	S	S	*	*			cis	174.3	-176	-23.4	179.6	0	0	0	0	106
525	A	26.4	Very low	32.9	Very low	87 Å²	87	139.9 Å²	139.9	72%	0.719	77%	0.772	S	S	*	*			trans	71.9	127	-175.1	0	0	0	0	0	115
526	T	28.2	Very low	32.8	Very low	131 Å²	131	135.3 Å²	135.3	80%	0.804	76%	0.761	S	S	*	*			cis	96.9	127.7	14.6	-46.2	0	0	0	0	114.4
527	P	51.9	Low	32.5	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	77%	0.768	S	S	*	*			trans	-104.1	-164.4	-164.1	46	-39.4	0	0	0	113.2
528	P	47.9	Very low	32	Very low	125 Å²	125	139.3 Å²	139.3	81%	0.812	77%	0.768	S	S	*	*				-126.4	-160.1	66.5	42.8	-29.9	0	0	0	111.8
529	A	26.4	Very low	33	Very low	100 Å²	100	133.8 Å²	133.8	83%	0.826	76%	0.762	S	S	*	*			cis	-156.1	-166.1	5.5	0	0	0	0	0	110.2
530	G	28.6	Very low	33.5	Very low	77 Å²	77	133.5 Å²	133.5	79%	0.794	77%	0.772	S	S	*	*			trans	130.6	37.1	152.6	0	0	0	0	0	121.3
531	T	28.6	Very low	33.3	Very low	138 Å²	138	131 Å²	131	85%	0.847	78%	0.775	S	S	*	*			trans	-99.6	-172.4	175.6	48.4	0	0	0	0	112.1
532	P	47	Very low	33.7	Very low	117 Å²	117	125 Å²	125	76%	0.76	77%	0.768	S	S	*	*			cis	-120.7	-156.5	-0.6	43.8	-25.9	0	0	0	112.1
533	E	30.3	Very low	33.5	Very low	103 Å²	103	121.4 Å²	121.4	48%	0.481	76%	0.761	S	S	.	*			cis	-147.6	168.1	5.7	-138.8	-170.8	-166	0	0	106.1	K535	E533-K535 HydrophobicContact CG-CD 4.23Å; E533-K535 HydrophobicContact CG-CG 4.46Å; E533-K535 WeakPolarHBondContact OE1-CD 3.49Å; E533-K535 WeakPolarHBondContact OE1-CE 3.27Å; E533-K535 IonicContact OE1-NZ 2.68Å; E533-K535 PolarHBondContact OE1-NZ 3.12Å
534	R	29.7	Very low	32.9	Very low	209 Å²	209	122.9 Å²	122.9	79%	0.789	76%	0.761	S	S	*	*			cis	-136.8	162.1	24.8	-77	-165.2	167.3	-178.3	-6.1	110.6
535	K	29	Very low	32.9	Very low	155 Å²	155	124.9 Å²	124.9	67%	0.674	76%	0.757	S	S	*	*			cis	76.8	131	39.9	-65.8	-174.8	178.8	168	0	113.8	E533	E533-K535 HydrophobicContact CG-CD 4.23Å; E533-K535 HydrophobicContact CG-CG 4.46Å; E533-K535 WeakPolarHBondContact OE1-CD 3.49Å; E533-K535 WeakPolarHBondContact OE1-CE 3.27Å; E533-K535 IonicContact OE1-NZ 2.68Å; E533-K535 PolarHBondContact OE1-NZ 3.12Å
536	T	26.6	Very low	32.9	Very low	111 Å²	111	127.7 Å²	127.7	68%	0.681	76%	0.755	S	S	*	*			cis	-153.6	153.5	8.8	-9	0	0	0	0	112
537	D	24.7	Very low	32.7	Very low	165 Å²	165	129 Å²	129	88%	0.882	75%	0.753	S	S	*	*			trans	-174.7	150.6	131.6	-93.8	-17.5	0	0	0	111.5
538	T	30.4	Very low	31.3	Very low	128 Å²	128	129.9 Å²	129.9	79%	0.785	75%	0.746	S	S	*	*			trans	-151.5	138.4	-169.2	-52.2	0	0	0	0	112.1
539	P	50.7	Low	30.1	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	75%	0.745	S	S	*	*			trans	-94.5	176.3	178.9	41.3	-38.7	0	0	0	113.2
540	P	40.7	Very low	29.9	Very low	131 Å²	131	131.7 Å²	131.7	85%	0.851	73%	0.734	S	S	*	*				-149.6	-176.2	90.4	39.7	-20.7	0	0	0	116.1
541	S	30	Very low	29.7	Very low	106 Å²	106	136 Å²	136	74%	0.741	73%	0.734	S	S	*	*			trans	-105.8	166.9	172.9	-165	0	0	0	0	110.7
542	P	36.6	Very low	29.5	Very low	118 Å²	118	134.1 Å²	134.1	77%	0.766	73%	0.726	S	S	*	*				-158.4	147.8	89.3	39.9	-19.5	0	0	0	119.8
543	A	24.8	Very low	28.3	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	72%	0.723	S	S	*	*			trans	46.8	162.8	132	0	0	0	0	0	125.9
544	I	27.3	Very low	27.9	Very low	153 Å²	153	137.6 Å²	137.6	79%	0.785	74%	0.74	S	S	*	*			trans	124	119.1	147.6	-67.6	173.6	0	0	0	117.5
545	H	25.2	Very low	27.8	Very low	155 Å²	155	136 Å²	136	72%	0.718	74%	0.742	S	S	*	*			trans	54.1	170.4	160.9	-79.3	-114.7	0	0	0	121.1
546	E	26.5	Very low	28.1	Very low	145 Å²	145	133.8 Å²	133.8	68%	0.678	74%	0.743	S	S	*	*			cis	-177.8	166.5	-43.8	-158.1	173.7	-135.7	0	0	109
547	E	24.8	Very low	28.1	Very low	159 Å²	159	139 Å²	139	74%	0.743	75%	0.75	S	S	*	*			trans	65.7	156	161.1	-66.9	-122.3	123.9	0	0	119
548	H	22.4	Very low	28.1	Very low	132 Å²	132	136.5 Å²	136.5	61%	0.611	73%	0.733	S	S	*	*			cis	-162.6	-176.9	-26.4	-159.7	-98.8	0	0	0	109.6
549	F	22.8	Very low	28	Very low	179 Å²	179	140 Å²	140	79%	0.785	73%	0.732	S	S	*	*			trans	73.5	134.1	176.9	-62.2	-92	0	0	0	117
550	S	21.8	Very low	26.9	Very low	85 Å²	85	145 Å²	145	59%	0.594	74%	0.736	S	S	*	*			cis	84.9	146.7	14.1	102.6	0	0	0	0	115.9
551	E	23	Very low	26.1	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	74%	0.737	S	S	*	*			cis	-172	148.2	-11.5	149.5	176	-144.9	0	0	113.4
552	S	24.4	Very low	25.8	Very low	98 Å²	98	145 Å²	145	69%	0.685	74%	0.736	S	S	*	*			trans	74.1	160	154.8	80.4	0	0	0	0	123.9
553	S	21.9	Very low	25.4	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	74%	0.741	S	S	*	*			trans	95.7	142.1	152.2	-61.3	0	0	0	0	118.5
554	K	23.1	Very low	25.3	Very low	192 Å²	192	147.9 Å²	147.9	84%	0.835	75%	0.748	S	S	*	*			cis	-167.7	167	-27.7	-126.4	172	-179.6	176.4	0	109
555	E	27.7	Very low	25.2	Very low	177 Å²	177	144.4 Å²	144.4	83%	0.827	74%	0.738	S	S	*	*			trans	-54.6	168.2	168.5	-63.7	171.4	120.2	0	0	113
556	P	34.1	Very low	25.5	Very low	107 Å²	107	144.5 Å²	144.5	70%	0.695	74%	0.738	S	S	*	*			cis	-157.2	-164.4	37.3	43.5	-19.7	0	0	0	119.6
557	W	26.6	Very low	25.5	Very low	222 Å²	222	144.7 Å²	144.7	84%	0.841	74%	0.744	S	S	*	*			trans	78.9	152.7	148.6	97.6	-97.1	0	0	0	119.9
558	E	26.3	Very low	25.9	Very low	112 Å²	112	143.1 Å²	143.1	52%	0.523	74%	0.74	S	S	.	*			cis	-174.3	151.9	-42.7	-120.9	-170.3	121.2	0	0	112.4
559	R	27.3	Very low	26.3	Very low	201 Å²	201	144.1 Å²	144.1	76%	0.758	75%	0.745	S	S	*	*			trans	68	165.1	153.6	-64.3	165.9	-162.5	153.5	10.7	119.8
560	R	27	Very low	26.7	Very low	218 Å²	218	142 Å²	142	82%	0.823	74%	0.742	S	S	*	*			cis	-177.8	159.2	-39	-153	-178.3	-161.7	-171.7	5.5	109.9
561	L	24.5	Very low	27	Very low	165 Å²	165	145.8 Å²	145.8	86%	0.864	75%	0.75	S	S	*	*			trans	76	153.8	167	-50.5	172.9	0	0	0	115.7
562	G	23.7	Very low	27.3	Very low	71 Å²	71	144.2 Å²	144.2	73%	0.732	75%	0.747	S	S	*	*			cis	-159.7	-176.1	3.5	0	0	0	0	0	114.1
563	S	28.4	Very low	27.4	Very low	123 Å²	123	146.3 Å²	146.3	86%	0.86	75%	0.749	S	S	*	*			trans	-107.7	-169.9	-172	-49.3	0	0	0	0	113.3
564	V	23.4	Very low	27.7	Very low	144 Å²	144	148.3 Å²	148.3	87%	0.873	75%	0.751	S	S	*	*			trans	107.5	150.1	172.9	173.2	0	0	0	0	114.1
565	S	25.3	Very low	27.8	Very low	80 Å²	80	149.6 Å²	149.6	56%	0.559	75%	0.753	S	S	*	*			cis	-175.7	151.9	-44.8	-140	0	0	0	0	110.4
566	E	30	Very low	27.9	Very low	157 Å²	157	149.5 Å²	149.5	73%	0.734	76%	0.757	S	S	*	*			trans	53.9	139.9	148.4	-71.5	147.3	142.8	0	0	124.1
567	D	28.1	Very low	27.6	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	76%	0.763	S	S	*	*			trans	69.7	146.2	138.9	-64.6	2.9	0	0	0	122.4
568	D	33.1	Very low	27.5	Very low	126 Å²	126	150.9 Å²	150.9	67%	0.674	76%	0.76	S	S	*	*			cis	-168.7	174.1	-7.8	-177.9	29.5	0	0	0	112.1
569	Q	30	Very low	27.5	Very low	153 Å²	153	151.3 Å²	151.3	72%	0.715	77%	0.771	S	S	*	*			trans	84.1	103.3	155.5	-93.4	158.5	72.9	0	0	125
570	D	30.3	Very low	27.4	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	77%	0.774	S	S	*	*				39.4	125.2	127.3	-60.7	-41.7	0	0	0	125.6
571	H	29.6	Very low	27.5	Very low	165 Å²	165	147.2 Å²	147.2	76%	0.764	77%	0.774	S	S	*	*				176.2	122.1	94.1	-103.9	-67.9	0	0	0	115.7
572	D	28.3	Very low	27.5	Very low	135 Å²	135	143.1 Å²	143.1	72%	0.722	77%	0.771	S	S	*	*			trans	60.6	151.5	135.1	-88.2	-60.5	0	0	0	127.4
573	I	26.5	Very low	27.7	Very low	143 Å²	143	145.3 Å²	145.3	73%	0.733	77%	0.765	S	S	*	*			trans	93.6	94.9	154.5	-75.3	160.7	0	0	0	121.6
574	L	27.9	Very low	27.6	Very low	141 Å²	141	148 Å²	148	74%	0.738	76%	0.764	S	S	*	*			trans	74.3	107	137.7	-60.3	178.4	0	0	0	123.5
575	Y	26.5	Very low	27.7	Very low	220 Å²	220	149.8 Å²	149.8	86%	0.863	76%	0.755	S	S	*	*			trans	49.6	103.1	132.1	-83.9	-95.8	0	0	0	120.6
576	L	29.1	Very low	27.8	Very low	175 Å²	175	155.3 Å²	155.3	92%	0.916	77%	0.769	S	S	*	*				-145.7	155.2	124.9	-114.3	171.3	0	0	0	110.8	E578	L576-E578 PolarHBondContact O-N 2.91Å
577	K	27.3	Very low	27.6	Very low	190 Å²	190	153.7 Å²	153.7	83%	0.826	77%	0.774	S	S	*	*			trans	-92.4	85.8	-169.1	-176.8	-173.2	174.7	-175.9	0	111
578	E	24.9	Very low	27.3	Very low	167 Å²	167	152.7 Å²	152.7	78%	0.78	78%	0.778	S	S	*	*			trans	-77.6	123.7	177.3	-172.4	160.8	-147.5	0	0	111.9	L576	L576-E578 PolarHBondContact O-N 2.91Å
579	T	26	Very low	26.7	Very low	121 Å²	121	152.7 Å²	152.7	74%	0.742	79%	0.788	S	S	*	*			trans	-91.2	100.9	171.2	50.7	0	0	0	0	109.3	L581	T579-L581 PolarHBondContact O-N 3.15Å
580	H	25.4	Very low	26.5	Very low	177 Å²	177	152.3 Å²	152.3	82%	0.819	79%	0.789	S	S	*	*			trans	-47.1	123	179.3	-75.7	156.6	0	0	0	112.9
581	L	28.4	Very low	26.2	Very low	157 Å²	157	152.7 Å²	152.7	82%	0.822	80%	0.797	S	S	*	*			trans	-82.5	120.4	165.8	-162	73	0	0	0	108.5	T579 I583	T579-L581 PolarHBondContact O-N 3.15Å; L581-I583 PolarHBondContact O-N 3.07Å
582	G	25.3	Very low	25.8	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	79%	0.793	S	S	*	*			trans	-74	95	-175	0	0	0	0	0	113.4	E584	G582-E584 PolarHBondContact O-N 3.48Å
583	I	28.6	Very low	25.5	Very low	117 Å²	117	149.2 Å²	149.2	60%	0.6	80%	0.796	S	S	*	*			trans	-86.1	92.3	174.8	-52.9	176.4	0	0	0	110.1	L581 R585	L581-I583 PolarHBondContact O-N 3.07Å; I583-R585 HydrophobicContact CG2-CG 4.15Å; I583-R585 PolarHBondContact O-N 3.39Å
584	E	26.4	Very low	25.5	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	80%	0.797	S	S	*	*			trans	-81.2	97.3	167.5	-77.5	-151.8	127.1	0	0	111.4	G582	G582-E584 PolarHBondContact O-N 3.48Å
585	R	25.7	Very low	25.4	Very low	181 Å²	181	145.6 Å²	145.6	68%	0.683	79%	0.791	S	S	*	*			trans	-77.2	123	166.4	-70.3	-177.9	168.7	108.5	-2.1	110.2	I583 E853	I583-R585 HydrophobicContact CG2-CG 4.15Å; I583-R585 PolarHBondContact O-N 3.39Å; R585-E853 IonicContact CZ-OE2 3.98Å; R585-E853 IonicContact NH2-OE1 2.74Å; R585-E853 PolarHBondContact NH2-OE1 3.05Å; R585-E853 IonicContact NH2-OE2 2.76Å; R585-E853 PolarHBondContact NH2-OE2 3.38Å
586	K	27.4	Very low	25.4	Very low	196 Å²	196	136.4 Å²	136.4	85%	0.852	76%	0.759	S	S	*	*			trans	-152.2	108.6	161.9	-155.6	174.6	-172.9	-177.6	0	113.9
587	C	24.7	Very low	25.4	Very low	123 Å²	123	130 Å²	130	83%	0.831	73%	0.729	S	S	*	*			trans	-126.7	139.8	172.1	-57.9	0	0	0	0	109.4
588	S	21.9	Very low	25.5	Very low	127 Å²	127	121.5 Å²	121.5	89%	0.888	69%	0.693	S	S	*	*			trans	172.9	99.8	141.4	-83.1	0	0	0	0	113.1
589	S	21.1	Very low	25.7	Very low	125 Å²	125	114.4 Å²	114.4	87%	0.874	66%	0.66	S	S	*	*			trans	-156.2	99.4	132.6	64.3	0	0	0	0	107.6
590	I	24.7	Very low	25.8	Very low	146 Å²	146	109.1 Å²	109.1	75%	0.749	63%	0.628	S	S	*	*			trans	-90.9	148.1	-176.3	-163	168.2	0	0	0	111	V592	I590-V592 HydrophobicContact CD1-CG2 4.27Å; I590-V592 HydrophobicContact CG1-CG2 4.2Å
591	T	23.6	Very low	26	Very low	142 Å²	142	103 Å²	103	87%	0.871	60%	0.6	S	S	*	*			trans	-136	135.4	158.6	-48.3	0	0	0	0	106.1
592	V	22.4	Very low	26	Very low	114 Å²	114	95.9 Å²	95.9	69%	0.691	56%	0.563	S	S	*	*			trans	-104.9	132.8	-155	179.2	0	0	0	0	112.6	I590	I590-V592 HydrophobicContact CD1-CG2 4.27Å; I590-V592 HydrophobicContact CG1-CG2 4.2Å
593	S	21.7	Very low	26.1	Very low	113 Å²	113	93.2 Å²	93.2	79%	0.79	53%	0.53	S	S	*	.			trans	-162.3	151.7	146	-89.3	0	0	0	0	109.5
594	S	25.7	Very low	26.3	Very low	105 Å²	105	88 Å²	88	73%	0.734	50%	0.503	S	S	*	.			trans	-80.5	166.7	-177.1	-41.4	0	0	0	0	112.7
595	T	26.7	Very low	26.4	Very low	102 Å²	102	82.1 Å²	82.1	63%	0.626	48%	0.479	S	S	*	.			cis	-121.7	-153	7.4	53.1	0	0	0	0	111.6	R879 T881	T595-R879 PolarHBondContact O-NH2 3Å; T595-T881 WeakPolarHBondContact O-CG2 3.24Å
596	S	26.3	Very low	26.6	Very low	28 Å²	28	76 Å²	76	20%	0.196	46%	0.462	C	S	.	.			trans	-132.4	134.2	-165.7	48	0	0	0	0	116
597	S	29.1	Very low	26.6	Very low	40 Å²	40	74.5 Å²	74.5	28%	0.28	46%	0.462	S	S	.	.			trans	-141.6	153.9	157.4	61.2	0	0	0	0	109.6	R879 E880	S597-R879 WeakPolarHBondContact O-CG 2.98Å; S597-E880 PolarHBondContact OG-O 2.85Å
598	L	29.5	Very low	26.8	Very low	12 Å²	12	74.1 Å²	74.1	6%	0.063	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.4	-176.4	-118.9	81.8	0	0	0	111.7	I844 Q852 V877	L598-I844 PolarHBondContact O-N 2.94Å; L598-Q852 HydrophobicContact CD1-CG 4.06Å; L598-Q852 HydrophobicContact CD2-CB 3.62Å; L598-Q852 HydrophobicContact CD2-CG 3.58Å; L598-Q852 HydrophobicContact CG-CG 4.49Å; L598-V877 HydrophobicContact CD2-CG1 3.58Å; L598-V877 HydrophobicContact CG-CG1 3.78Å
599	E	29.8	Very low	27.1	Very low	18 Å²	18	72.7 Å²	72.7	8%	0.084	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145	166	-54.9	-163.9	102.7	0	0	110.5	R841 V877 I878	E599-R841 IonicContact OE1-CZ 3.64Å; E599-R841 IonicContact OE1-NH1 2.82Å; E599-R841 PolarHBondContact OE1-NH1 3.23Å; E599-R841 IonicContact OE2-NH1 3.41Å; E599-R841 PolarHBondContact OE2-NH1 2.94Å; E599-V877 CarbonylContact O-C 3.55Å; E599-V877 VanDerWaalsContact O-CA 3.29Å; E599-V877 WeakPolarHBondContact O-CA 3.21Å; E599-V877 WeakPolarHBondContact O-CG1 3.37Å; E599-I878 HydrophobicContact CB-CB 4.18Å; E599-I878 PolarHBondContact N-O 2.87Å; E599-I878 PolarHBondContact O-N 3.39Å
600	A	28	Very low	27.8	Very low	9 Å²	9	73.7 Å²	73.7	7%	0.074	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126	167	0	0	0	0	0	111.3	I842 L856 A859 V876	A600-I842 PolarHBondContact N-O 2.93Å; A600-I842 PolarHBondContact O-N 3.03Å; A600-L856 HydrophobicContact CB-CD1 4.24Å; A600-A859 HydrophobicContact CB-CB 4.34Å; A600-V876 CarbonylContact C-O 3.59Å; A600-V876 WeakPolarHBondContact CA-O 3.44Å
601	E	28.6	Very low	28.3	Very low	49 Å²	49	73.8 Å²	73.8	23%	0.229	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.2	175.2	-95.1	-169.5	177.7	0	0	110	R841 A875 V876	E601-R841 IonicContact OE1-CZ 2.68Å; E601-R841 IonicContact OE1-NE 2.67Å; E601-R841 IonicContact OE1-NH2 3.43Å; E601-R841 PolarHBondContact OE1-NH2 3.06Å; E601-A875 CarbonylContact O-C 3.48Å; E601-V876 HydrophobicContact CB-CB 4.04Å; E601-V876 PolarHBondContact N-O 3.36Å; E601-V876 PolarHBondContact O-N 3.12Å
602	V	29.1	Very low	28.8	Very low	8 Å²	8	70.9 Å²	70.9	5%	0.048	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.6	-179.3	-169.1	0	0	0	0	110.5	F604 I860 V872 K874 A875	V602-F604 HydrophobicContact CB-CE2 3.84Å; V602-F604 HydrophobicContact CB-CZ 4.5Å; V602-F604 HydrophobicContact CG1-CD2 4.1Å; V602-F604 HydrophobicContact CG1-CE2 3.38Å; V602-F604 HydrophobicContact CG1-CZ 3.72Å; V602-I860 HydrophobicContact CG2-CG1 4.38Å; V602-V872 HydrophobicContact CG1-CG1 3.66Å; V602-V872 HydrophobicContact CG1-CG2 4.44Å; V602-K874 CarbonylContact C-O 3.56Å; V602-K874 WeakPolarHBondContact CA-O 3.34Å; V602-K874 WeakPolarHBondContact CG1-O 3.47Å; V602-A875 HydrophobicContact CG2-CB 4.28Å
603	D	27.4	Very low	29.4	Very low	23 Å²	23	67.3 Å²	67.3	12%	0.123	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.5	169.9	-86.4	-51.3	0	0	0	110.3	R837 T873 K874	D603-R837 IonicContact OD1-CZ 3.88Å; D603-R837 IonicContact OD1-NH1 2.89Å; D603-R837 IonicContact OD1-NH2 2.73Å; D603-R837 PolarHBondContact OD1-NH2 3.48Å; D603-T873 PolarHBondContact O-N 3.47Å; D603-T873 PolarHBondContact O-OG1 3.28Å; D603-K874 HydrophobicContact CB-CB 3.9Å; D603-K874 HydrophobicContact CB-CD 4.4Å; D603-K874 HydrophobicContact CB-CG 4.07Å; D603-K874 PolarHBondContact N-O 2.96Å; D603-K874 PolarHBondContact O-N 2.92Å; D603-K874 WeakPolarHBondContact OD2-CD 3.39Å; D603-K874 VanDerWaalsContact OD2-CE 3.28Å; D603-K874 WeakPolarHBondContact OD2-CE 3.35Å; D603-K874 IonicContact OD2-NZ 2.64Å; D603-K874 PolarHBondContact OD2-NZ 3.08Å
604	F	32.8	Very low	30.3	Very low	7 Å²	7	68.5 Å²	68.5	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.6	167.8	-63.5	-105.6	0	0	0	109.1	V602 A863 M870 Q871 V872	V602-F604 HydrophobicContact CB-CE2 3.84Å; V602-F604 HydrophobicContact CB-CZ 4.5Å; V602-F604 HydrophobicContact CG1-CD2 4.1Å; V602-F604 HydrophobicContact CG1-CE2 3.38Å; V602-F604 HydrophobicContact CG1-CZ 3.72Å; F604-A863 HydrophobicContact CE2-CB 4.1Å; F604-A863 HydrophobicContact CZ-CB 3.58Å; F604-M870 HydrophobicContact CB-CE 3.98Å; F604-M870 HydrophobicContact CD1-CB 4.28Å; F604-Q871 WeakPolarHBondContact CD1-O 3.36Å; F604-V872 HydrophobicContact CD1-CG2 4.21Å; F604-V872 HydrophobicContact CE1-CB 4.18Å; F604-V872 HydrophobicContact CE1-CG2 3.42Å; F604-V872 VanDerWaalsContact CE1-CG2 3.42Å; F604-V872 HydrophobicContact CZ-CG2 3.75Å
605	T	29.2	Very low	30.9	Very low	56 Å²	56	69.9 Å²	69.9	34%	0.344	39%	0.389	S	S	.	.			trans	-147.7	111.3	175.4	-45.4	0	0	0	0	109.5	T873	T605-T873 PolarHBondContact N-OG1 2.83Å; T605-T873 PolarHBondContact OG1-OG1 3.45Å
606	V	28.8	Very low	31.4	Very low	54 Å²	54	70.4 Å²	70.4	33%	0.327	38%	0.384	S	S	.	.			trans	-93.2	109.3	172.4	175.8	0	0	0	0	108.1	T608 M870	V606-T608 HydrophobicContact CG1-CG2 4.19Å; V606-M870 HydrophobicContact CG2-CB 4.26Å; V606-M870 HydrophobicContact CG2-CE 3.88Å; V606-M870 HydrophobicContact CG2-CG 3.88Å
607	L	28.6	Very low	32	Very low	164 Å²	164	76 Å²	76	86%	0.859	41%	0.405	S	S	*	.			trans	-78.9	115.4	149.9	-68.1	171.8	0	0	0	105.9
608	T	28.2	Very low	32.6	Very low	115 Å²	115	77.4 Å²	77.4	71%	0.706	42%	0.415	S	S	*	.			trans	-63.3	146.2	168.6	34.6	0	0	0	0	109.5	V606 L610	V606-T608 HydrophobicContact CG1-CG2 4.19Å; T608-L610 PolarHBondContact O-N 2.98Å
609	D	27.6	Very low	33.2	Very low	97 Å²	97	83 Å²	83	52%	0.519	44%	0.435	S	S	.	.			trans	-62.6	136.5	-165.6	-156.6	-33.2	0	0	0	112	Q611 T612	D609-Q611 PolarHBondContact O-N 3.41Å; D609-Q611 VanDerWaalsContact O-N 3.12Å; D609-Q611 PolarHBondContact OD1-N 3.36Å; D609-T612 PolarHBondContact O-N 3.49Å
610	L	35.5	Very low	33.8	Very low	145 Å²	145	84 Å²	84	76%	0.759	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	-180	-170.2	61.9	0	0	0	111.7	T608	T608-L610 PolarHBondContact O-N 2.98Å
611	Q	34.9	Very low	34.3	Very low	149 Å²	149	90 Å²	90	70%	0.696	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-35.9	179.3	-59.4	-170.5	-64	0	0	113.4	D609	D609-Q611 PolarHBondContact O-N 3.41Å; D609-Q611 VanDerWaalsContact O-N 3.12Å; D609-Q611 PolarHBondContact OD1-N 3.36Å
612	T	35.7	Very low	35	Very low	80 Å²	80	91.6 Å²	91.6	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-78	-35.5	-175	-3.2	0	0	0	0	113.1	D609 M614 E615 E616	D609-T612 PolarHBondContact O-N 3.49Å; T612-M614 PolarHBondContact O-N 3.32Å; T612-E615 PolarHBondContact O-N 3.48Å; T612-E616 PolarHBondContact O-N 2.86Å
613	G	35.3	Very low	35.7	Very low	40 Å²	40	97.9 Å²	97.9	41%	0.412	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-25.2	179.5	0	0	0	0	0	113.9	F617	G613-F617 PolarHBondContact O-N 3.03Å
614	M	39.1	Very low	36.2	Very low	138 Å²	138	104.2 Å²	104.2	68%	0.68	56%	0.558	S	S	*	*	H	α-helix	trans	-77.1	-37.4	178.4	-160.8	166.4	72.1	0	0	111.9	T612 F617 S618	T612-M614 PolarHBondContact O-N 3.32Å; M614-F617 PolarHBondContact O-N 3.29Å; M614-S618 PolarHBondContact O-N 2.94Å; M614-S618 PolarHBondContact O-OG 3.1Å
615	E	38.2	Very low	36.5	Very low	134 Å²	134	107 Å²	107	63%	0.626	59%	0.588	S	S	*	*	H	α-helix	trans	-65	-40.3	176.4	-64.3	-171.8	159.8	0	0	112.2	T612 S618 R619	T612-E615 PolarHBondContact O-N 3.48Å; E615-S618 PolarHBondContact O-N 2.69Å; E615-R619 WeakPolarHBondContact O-CB 3.4Å; E615-R619 PolarHBondContact O-N 3.21Å
616	E	38.4	Very low	36.7	Very low	113 Å²	113	113 Å²	113	53%	0.528	61%	0.612	S	S	.	*	H	α-helix	trans	-69.5	-33.8	177.8	-58.8	-142.2	120	0	0	112.5	T612 R619 G620	T612-E616 PolarHBondContact O-N 2.86Å; E616-R619 PolarHBondContact O-N 2.88Å; E616-R619 IonicContact OE1-CZ 3.19Å; E616-R619 IonicContact OE1-NH1 2.67Å; E616-R619 IonicContact OE1-NH2 3.46Å; E616-R619 PolarHBondContact OE1-NH2 2.85Å; E616-G620 PolarHBondContact O-N 3.47Å
617	F	37.5	Very low	36.9	Very low	144 Å²	144	120.9 Å²	120.9	63%	0.632	64%	0.636	S	S	*	*	H	α-helix	trans	-66.1	-44.7	173.4	-165.9	-95.5	0	0	0	111.5	G613 M614 R619 G620 M621	G613-F617 PolarHBondContact O-N 3.03Å; M614-F617 PolarHBondContact O-N 3.29Å; F617-R619 VanDerWaalsContact C-N 3.34Å; F617-R619 PolarHBondContact O-N 2.82Å; F617-G620 PolarHBondContact O-N 3.3Å; F617-M621 HydrophobicContact CD1-CG 4.41Å; F617-M621 HydrophobicContact CE1-CG 4.21Å; F617-M621 WeakPolarHBondContact O-CG 3.47Å; F617-M621 PolarHBondContact O-N 3.44Å; F617-M621 VanDerWaalsContact O-N 3.09Å
618	S	43.3	Very low	36.9	Very low	70 Å²	70	121.3 Å²	121.3	49%	0.49	64%	0.639	S	S	.	*	H	α-helix	trans	-62.9	-37.5	173.8	-64.2	0	0	0	0	112.9	M614 E615 S622	M614-S618 PolarHBondContact O-N 2.94Å; M614-S618 PolarHBondContact O-OG 3.1Å; E615-S618 PolarHBondContact O-N 2.69Å; S618-S622 PolarHBondContact O-N 3.39Å; S618-S622 PolarHBondContact O-OG 2.92Å
619	R	41.8	Very low	37	Very low	129 Å²	129	124 Å²	124	49%	0.487	65%	0.649	S	S	.	*	H	α-helix	trans	-67.7	-46.1	176.5	-164.5	171.3	72	-129.4	-2.9	111.7	E615 E616 F617 M621 S622 E623	E615-R619 WeakPolarHBondContact O-CB 3.4Å; E615-R619 PolarHBondContact O-N 3.21Å; E616-R619 PolarHBondContact O-N 2.88Å; E616-R619 IonicContact OE1-CZ 3.19Å; E616-R619 IonicContact OE1-NH1 2.67Å; E616-R619 IonicContact OE1-NH2 3.46Å; E616-R619 PolarHBondContact OE1-NH2 2.85Å; F617-R619 VanDerWaalsContact C-N 3.34Å; F617-R619 PolarHBondContact O-N 2.82Å; R619-M621 VanDerWaalsContact C-N 3.31Å; R619-M621 PolarHBondContact O-N 3.27Å; R619-S622 WeakPolarHBondContact O-CB 3.05Å; R619-S622 PolarHBondContact O-N 3.14Å; R619-E623 PolarHBondContact O-N 3.01Å; R619-E623 VanDerWaalsContact O-N 3.14Å
620	G	41.1	Very low	36.9	Very low	41 Å²	41	125 Å²	125	42%	0.423	66%	0.663	S	S	.	*	H	α-helix	trans	-62.6	-33.3	177.2	0	0	0	0	0	114	E616 F617 S622	E616-G620 PolarHBondContact O-N 3.47Å; F617-G620 PolarHBondContact O-N 3.3Å; G620-S622 VanDerWaalsContact C-N 3.29Å
621	M	39.1	Very low	37.1	Very low	135 Å²	135	123.5 Å²	123.5	67%	0.665	66%	0.662	S	S	*	*	H	α-helix	trans	-73.1	-19.5	172.7	-70.2	-67.5	-72.5	0	0	113.3	F617 R619	F617-M621 HydrophobicContact CD1-CG 4.41Å; F617-M621 HydrophobicContact CE1-CG 4.21Å; F617-M621 WeakPolarHBondContact O-CG 3.47Å; F617-M621 PolarHBondContact O-N 3.44Å; F617-M621 VanDerWaalsContact O-N 3.09Å; R619-M621 VanDerWaalsContact C-N 3.31Å; R619-M621 PolarHBondContact O-N 3.27Å
622	S	43.8	Very low	36.9	Very low	81 Å²	81	124.6 Å²	124.6	57%	0.566	67%	0.672	S	S	*	*	H	α-helix	trans	-84.8	-39.1	177.9	-56.2	0	0	0	0	112.2	S618 R619 G620 L624 G625	S618-S622 PolarHBondContact O-N 3.39Å; S618-S622 PolarHBondContact O-OG 2.92Å; R619-S622 WeakPolarHBondContact O-CB 3.05Å; R619-S622 PolarHBondContact O-N 3.14Å; G620-S622 VanDerWaalsContact C-N 3.29Å; S622-L624 PolarHBondContact O-N 2.83Å; S622-L624 VanDerWaalsContact O-N 3.12Å; S622-G625 PolarHBondContact O-N 2.82Å; S622-G625 VanDerWaalsContact O-N 3.08Å
623	E	43.5	Very low	36.7	Very low	141 Å²	141	124 Å²	124	66%	0.659	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-5.1	-179.6	-68.5	-175.2	159.2	0	0	114.5	R619	R619-E623 PolarHBondContact O-N 3.01Å; R619-E623 VanDerWaalsContact O-N 3.14Å
624	L	38.1	Very low	36.3	Very low	156 Å²	156	125.6 Å²	125.6	82%	0.817	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-11.3	170.7	-124.2	75.2	0	0	0	114	S622	S622-L624 PolarHBondContact O-N 2.83Å; S622-L624 VanDerWaalsContact O-N 3.12Å
625	G	37.9	Very low	35.8	Very low	64 Å²	64	126.2 Å²	126.2	66%	0.66	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-39.7	-177.1	0	0	0	0	0	114.8	S622 R627	S622-G625 PolarHBondContact O-N 2.82Å; S622-G625 VanDerWaalsContact O-N 3.08Å; G625-R627 PolarHBondContact O-N 3.11Å
626	E	35.3	Very low	35.4	Very low	182 Å²	182	129.2 Å²	129.2	85%	0.85	71%	0.71	S	S	*	*			trans	-97.5	80.2	-173.2	-68.6	-164	164	0	0	113.4
627	R	31.4	Very low	34.9	Very low	220 Å²	220	133.6 Å²	133.6	83%	0.83	73%	0.728	S	S	*	*			trans	-138.4	73.9	154	-95.8	-171.2	-73	-164.1	-5.8	110.7	G625	G625-R627 PolarHBondContact O-N 3.11Å
628	D	28.4	Very low	34.5	Very low	173 Å²	173	130.1 Å²	130.1	93%	0.925	73%	0.732	S	S	*	*			trans	-61.4	142.9	174.5	-109.1	-32.9	0	0	0	112.2	S630	D628-S630 PolarHBondContact O-N 3.05Å
629	L	30.5	Very low	33.8	Very low	173 Å²	173	134.3 Å²	134.3	91%	0.906	75%	0.747	S	S	*	*			trans	-82.1	109.1	-177.4	-67.6	166	0	0	0	110.4
630	S	25.7	Very low	33.2	Very low	117 Å²	117	135.1 Å²	135.1	82%	0.818	76%	0.761	S	S	*	*			trans	-100.6	126.9	165.9	-172.6	0	0	0	0	110.6	D628	D628-S630 PolarHBondContact O-N 3.05Å
631	P	39.9	Very low	32.6	Very low	114 Å²	114	140 Å²	140	74%	0.74	78%	0.777	S	S	*	*			trans	-89.1	136.6	-171.3	33.2	-35.1	0	0	0	115.2
632	D	32	Very low	32.2	Very low	171 Å²	171	140.1 Å²	140.1	91%	0.914	78%	0.78	S	S	*	*			trans	72.1	164.3	138.9	-130.3	-20.6	0	0	0	122.3
633	G	30.9	Very low	31.6	Very low	68 Å²	68	143 Å²	143	70%	0.701	78%	0.784	S	S	*	*			trans	-61.4	135.8	-166.6	0	0	0	0	0	116.1
634	G	26.7	Very low	30.9	Very low	74 Å²	74	143 Å²	143	76%	0.763	78%	0.784	S	S	*	*			trans	-82.2	148.5	174.6	0	0	0	0	0	113.6
635	L	29.4	Very low	30.4	Very low	151 Å²	151	144.3 Å²	144.3	79%	0.791	79%	0.786	S	S	*	*			trans	-162.1	132.4	145.1	-94.6	-173	0	0	0	111.3
636	R	28.5	Very low	29.9	Very low	197 Å²	197	145.1 Å²	145.1	74%	0.743	79%	0.794	S	S	*	*			trans	74.2	112.6	145.7	-67.8	165.6	-171.1	-116.5	-2.6	121.1
637	F	28.7	Very low	29.5	Very low	205 Å²	205	141.1 Å²	141.1	90%	0.899	79%	0.793	S	S	*	*			trans	54.7	132.5	141.5	-66.4	-77.8	0	0	0	121.6
638	G	28.2	Very low	30.6	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	79%	0.79	S	S	*	*			trans	143.5	75.5	138.7	0	0	0	0	0	120.1
639	I	29	Very low	30.6	Very low	158 Å²	158	136.6 Å²	136.6	81%	0.81	79%	0.786	S	S	*	*			trans	16.4	129.9	146.6	2.7	178.8	0	0	0	121.6
640	D	29.2	Very low	31.4	Very low	146 Å²	146	133.3 Å²	133.3	78%	0.781	78%	0.775	S	S	*	*			trans	76	118.6	135.8	-85.5	0.9	0	0	0	124.6
641	L	28.7	Very low	32.7	Very low	143 Å²	143	133.2 Å²	133.2	75%	0.749	77%	0.772	S	S	*	*				103	115.8	118.7	-157.7	70.6	0	0	0	122.5
642	L	31.4	Very low	33	Very low	139 Å²	139	133.7 Å²	133.7	73%	0.728	77%	0.774	S	S	*	*			trans	75.9	128.9	144.6	-81.5	174.3	0	0	0	125.6
643	Q	29.5	Very low	34.1	Very low	142 Å²	142	131.4 Å²	131.4	66%	0.664	77%	0.769	S	S	*	*				100.8	104.1	120.5	-168.2	160	15.4	0	0	124.7
644	Q	29.9	Very low	34.5	Very low	140 Å²	140	136.1 Å²	136.1	65%	0.654	78%	0.777	S	S	*	*			trans	61.3	128.5	134.5	-68	179.3	48.4	0	0	125.9
645	Q	27.9	Very low	34.8	Very low	183 Å²	183	139.2 Å²	139.2	86%	0.855	78%	0.781	S	S	*	*			trans	65.5	136.6	133.3	-64.9	-179.2	-2.8	0	0	123.7
646	G	26.1	Very low	34.9	Very low	81 Å²	81	137.9 Å²	137.9	84%	0.835	78%	0.784	S	S	*	*			trans	160.5	137.4	158.6	0	0	0	0	0	116.7
647	A	28.7	Very low	35.2	Very low	99 Å²	99	132.8 Å²	132.8	82%	0.818	79%	0.785	S	S	*	*			trans	-174	169.5	175	0	0	0	0	0	110.9
648	P	54.1	Low	36.2	Very low	120 Å²	120	128.7 Å²	128.7	78%	0.779	78%	0.778	S	S	*	*			cis	-132.7	-164.7	-31.5	38.4	-19.1	0	0	0	114.5
649	E	27.1	Very low	36.5	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	79%	0.786	S	S	*	*			trans	70.6	165.4	165	-85.5	-147.5	116.6	0	0	120.9
650	P	48.5	Very low	36.7	Very low	105 Å²	105	130.6 Å²	130.6	68%	0.682	79%	0.786	S	S	*	*			cis	-134.2	179.7	-22.6	33.1	-12.4	0	0	0	115.9
651	P	52.4	Low	36.8	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	79%	0.794	S	S	*	*			trans	-112.4	161.9	-179.4	41	-33.7	0	0	0	116.7
652	P	46.3	Very low	36.8	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	80%	0.796	S	S	*	*				-158.9	-164.4	124	41.6	-22.7	0	0	0	114.5
653	P	54.3	Low	36.8	Very low	124 Å²	124	130.8 Å²	130.8	81%	0.805	80%	0.802	S	S	*	*			cis	-128.9	-169.9	-27.3	24.7	0.2	0	0	0	115.4
654	L	40.7	Very low	36.8	Very low	167 Å²	167	129.9 Å²	129.9	87%	0.874	81%	0.812	S	S	*	*			trans	-117.6	154.4	-178.3	-62	161.5	0	0	0	114.3
655	V	33.3	Very low	36.7	Very low	139 Å²	139	126.3 Å²	126.3	84%	0.842	81%	0.812	S	S	*	*			trans	-153.9	121.1	160.3	-166.5	0	0	0	0	116.3
656	S	31.5	Very low	36.9	Very low	122 Å²	122	123.4 Å²	123.4	85%	0.853	81%	0.812	S	S	*	*			trans	45.8	155.1	146.7	-52.3	0	0	0	0	127.8
657	A	34.8	Very low	38.4	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	81%	0.81	S	S	*	*			trans	-123.4	174.6	166.9	0	0	0	0	0	111.5
658	P	48.9	Very low	39.8	Very low	118 Å²	118	125.7 Å²	125.7	77%	0.766	80%	0.804	S	S	*	*				-162.1	170.1	91.5	42.7	-21.7	0	0	0	120.1
659	L	34.3	Very low	39	Very low	170 Å²	170	124.3 Å²	124.3	89%	0.89	80%	0.802	S	S	*	*			trans	23.4	132.2	147.3	-64.9	165.4	0	0	0	124.2
660	A	32.6	Very low	39.5	Very low	98 Å²	98	126.7 Å²	126.7	81%	0.81	80%	0.804	S	S	*	*				163.8	147.8	110.1	0	0	0	0	0	118.5
661	R	32.3	Very low	38.8	Very low	253 Å²	253	127.9 Å²	127.9	96%	0.955	80%	0.804	S	S	*	*			trans	11.4	136.9	155.2	-61	176.6	177.6	161.7	-1.2	123.6
662	G	28.1	Very low	37.9	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	80%	0.802	S	S	*	*				112.6	98.2	104.8	0	0	0	0	0	123.3
663	A	32.2	Very low	37.1	Very low	105 Å²	105	131 Å²	131	87%	0.868	80%	0.8	S	S	*	*			trans	50.5	139	137.9	0	0	0	0	0	125.9
664	S	28.9	Very low	36.2	Very low	123 Å²	123	127.8 Å²	127.8	86%	0.86	79%	0.785	S	S	*	*			trans	78.4	99.2	140.4	-168.9	0	0	0	0	123.9
665	G	27.1	Very low	35.9	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	78%	0.782	S	S	*	*				73.7	114.3	107.7	0	0	0	0	0	124.7
666	S	33.3	Very low	35.8	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	78%	0.779	S	S	*	*			trans	70.7	179.9	135.2	-65.1	0	0	0	0	120.5
667	P	57.6	Low	35.7	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	77%	0.771	S	S	*	*			cis	-112.1	-71.3	-22.6	18.7	-6.9	0	0	0	123.8
668	P	57.3	Low	35.6	Very low	108 Å²	108	133.7 Å²	133.7	70%	0.701	77%	0.769	S	S	*	*				-136.1	163.3	-126	39.7	-22.4	0	0	0	121.5
669	A	38.3	Very low	35.3	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	77%	0.77	S	S	*	*			trans	72.1	150.6	142.9	0	0	0	0	0	120.3
670	R	37.8	Very low	35	Very low	228 Å²	228	130.1 Å²	130.1	86%	0.86	75%	0.751	S	S	*	*			cis	-162.8	-179.8	-8.1	-113.6	168.4	165.9	-168.8	-2.1	106.6
671	L	32.1	Very low	34.9	Very low	129 Å²	129	130.9 Å²	130.9	68%	0.675	75%	0.745	S	S	*	*			cis	-153.7	-166.3	13.7	-162.9	59.3	0	0	0	108.1
672	I	34.9	Very low	34.9	Very low	141 Å²	141	127.8 Å²	127.8	72%	0.723	73%	0.734	S	S	*	*			trans	74.8	136.3	155.1	-82	166	0	0	0	116.3
673	Q	29	Very low	35.7	Very low	162 Å²	162	130.1 Å²	130.1	76%	0.757	74%	0.735	S	S	*	*			cis	-163.3	177.4	-22.1	-150.3	-179.6	-91.7	0	0	109.6
674	A	35.5	Very low	35.6	Very low	57 Å²	57	131.8 Å²	131.8	47%	0.471	73%	0.725	S	S	.	*			trans	17.6	139.2	143.7	0	0	0	0	0	121
675	E	34.2	Very low	35.7	Very low	177 Å²	177	132 Å²	132	83%	0.827	72%	0.721	S	S	*	*			cis	-160.9	-159.7	-4.2	-133	69	88.5	0	0	106.1
676	E	31.5	Very low	35.8	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	73%	0.732	S	S	*	*			cis	-145.7	-99.7	8.4	-162.5	-148.2	-156	0	0	112.9
677	V	28.9	Very low	36.1	Very low	113 Å²	113	140.2 Å²	140.2	69%	0.685	73%	0.729	S	S	*	*			trans	-106.5	123.1	-172.6	160.8	0	0	0	0	110.6
678	R	32.3	Very low	34.8	Very low	187 Å²	187	143 Å²	143	71%	0.706	73%	0.731	S	S	*	*			cis	91.6	153.3	48.9	-92.2	-163.4	151.4	136.6	-2	114.5	D680	R678-D680 IonicContact CZ-OD2 3.37Å; R678-D680 IonicContact NE-OD1 3.48Å; R678-D680 PolarHBondContact NE-OD1 3.15Å; R678-D680 IonicContact NE-OD2 2.85Å; R678-D680 PolarHBondContact NE-OD2 3.25Å; R678-D680 IonicContact NH2-OD2 3Å; R678-D680 PolarHBondContact NH2-OD2 2.71Å
679	P	44	Very low	33.4	Very low	120 Å²	120	146.1 Å²	146.1	78%	0.779	74%	0.74	S	S	*	*			cis	-117.8	-145.1	5.1	41.7	-29	0	0	0	113.5
680	D	26.8	Very low	33	Very low	92 Å²	92	153.1 Å²	153.1	49%	0.492	75%	0.747	S	S	.	*				-137.1	138.4	-104.7	-79.7	-3.1	0	0	0	105.8	R678	R678-D680 IonicContact CZ-OD2 3.37Å; R678-D680 IonicContact NE-OD1 3.48Å; R678-D680 PolarHBondContact NE-OD1 3.15Å; R678-D680 IonicContact NE-OD2 2.85Å; R678-D680 PolarHBondContact NE-OD2 3.25Å; R678-D680 IonicContact NH2-OD2 3Å; R678-D680 PolarHBondContact NH2-OD2 2.71Å
681	V	31.6	Very low	33.7	Very low	114 Å²	114	147.6 Å²	147.6	69%	0.691	74%	0.741	S	S	*	*				69.3	122.2	61.7	169.7	0	0	0	0	111.4
682	R	31.8	Very low	33.5	Very low	189 Å²	189	149.3 Å²	149.3	71%	0.713	75%	0.746	S	S	*	*			cis	-172.8	-178.9	-1.1	-106.4	-177.5	-150.2	167.6	4.1	108.4	E684	R682-E684 WeakPolarHBondContact CD-OE2 3.38Å; R682-E684 IonicContact CZ-OE2 3.76Å; R682-E684 IonicContact NE-OE2 3.82Å; R682-E684 IonicContact NH1-OE2 2.87Å; R682-E684 PolarHBondContact NH1-OE2 2.82Å
683	P	44.9	Very low	33.2	Very low	124 Å²	124	148.3 Å²	148.3	81%	0.805	75%	0.746	S	S	*	*			trans	-113	115	164.9	35.8	-24.3	0	0	0	114.9
684	E	29.3	Very low	33.2	Very low	139 Å²	139	150.3 Å²	150.3	65%	0.65	75%	0.747	S	S	*	*			trans	-156.7	147.6	178.9	-49.9	-179.5	31.5	0	0	110.1	R682	R682-E684 WeakPolarHBondContact CD-OE2 3.38Å; R682-E684 IonicContact CZ-OE2 3.76Å; R682-E684 IonicContact NE-OE2 3.82Å; R682-E684 IonicContact NH1-OE2 2.87Å; R682-E684 PolarHBondContact NH1-OE2 2.82Å
685	V	30.8	Very low	32.8	Very low	128 Å²	128	155.3 Å²	155.3	78%	0.776	76%	0.76	S	S	*	*			cis	-168.4	141.6	-33.1	61.2	0	0	0	0	112.9
686	R	29.4	Very low	32.9	Very low	237 Å²	237	153.9 Å²	153.9	89%	0.894	76%	0.758	S	S	*	*			trans	64.5	172.4	165.8	-92.5	-173.2	173.8	-166.9	-3.1	119.6
687	P	40.2	Very low	32.9	Very low	121 Å²	121	152.4 Å²	152.4	79%	0.786	76%	0.76	S	S	*	*			cis	-124.2	-153.6	0.2	40.3	-21.4	0	0	0	115.7
688	E	30.1	Very low	32.8	Very low	180 Å²	180	156.5 Å²	156.5	84%	0.841	77%	0.769	S	S	*	*			trans	-85	166.1	-169.3	-55	174.1	92.5	0	0	116.9
689	I	29.1	Very low	33	Very low	174 Å²	174	157.2 Å²	157.2	89%	0.892	77%	0.772	S	S	*	*				-177.4	165.7	122	-93.4	160.2	0	0	0	111.8
690	R	29.6	Very low	33.1	Very low	236 Å²	236	157.5 Å²	157.5	89%	0.891	77%	0.773	S	S	*	*			trans	-96.2	172.7	-172.1	-98	-171.9	176.8	-177.5	1.3	115
691	P	52.8	Low	33.6	Very low	112 Å²	112	159.6 Å²	159.6	73%	0.727	79%	0.785	S	S	*	*			trans	-109.4	160.6	-156.9	40.6	-36.8	0	0	0	118.4
692	E	26.5	Very low	33.5	Very low	165 Å²	165	157.9 Å²	157.9	77%	0.771	79%	0.79	S	S	*	*			trans	-130.9	142.9	150.8	-77.1	-144.9	111.2	0	0	107.6
693	V	29.5	Very low	33.4	Very low	120 Å²	120	158.1 Å²	158.1	73%	0.727	80%	0.799	S	S	*	*			cis	93.8	138.2	39.7	175.5	0	0	0	0	112.9
694	R	27.6	Very low	33.4	Very low	205 Å²	205	157.3 Å²	157.3	77%	0.774	79%	0.794	S	S	*	*			trans	90.9	143.4	-178.5	-57.4	-168.2	-165.9	-175.9	6.2	117
695	Q	28.7	Very low	33.4	Very low	162 Å²	162	157.1 Å²	157.1	76%	0.757	80%	0.802	S	S	*	*			cis	-162.2	169.5	-24	-127.3	166.4	-14.2	0	0	112.3
696	D	36	Very low	33.6	Very low	146 Å²	146	157 Å²	157	78%	0.781	80%	0.801	S	S	*	*			trans	-73	146.9	-174.1	-47.6	-110.9	0	0	0	117
697	V	29.9	Very low	34.1	Very low	137 Å²	137	151 Å²	151	83%	0.83	79%	0.792	S	S	*	*			trans	-142.3	96.6	152.6	-174.6	0	0	0	0	113.1
698	K	28.9	Very low	33.6	Very low	199 Å²	199	154.8 Å²	154.8	87%	0.865	80%	0.797	S	S	*	*				61.5	130.7	126.2	-131.6	169.4	-176	173.3	0	122.2
699	R	36.1	Very low	33.8	Very low	202 Å²	202	155.7 Å²	155.7	76%	0.762	80%	0.798	S	S	*	*			trans	-80.2	173.3	158.2	-54.7	-173.5	-169	168.3	3.5	112	D701	R699-D701 IonicContact NH1-OD1 3.47Å
700	P	46.5	Very low	34.3	Very low	125 Å²	125	153.6 Å²	153.6	81%	0.812	80%	0.795	S	S	*	*				-140	179.5	91.1	37.7	-22.8	0	0	0	115.1
701	D	36.7	Very low	34.3	Very low	137 Å²	137	152 Å²	152	73%	0.733	80%	0.795	S	S	*	*			trans	-91.6	164.8	-165.8	-47.1	-92.3	0	0	0	115.5	R699	R699-D701 IonicContact NH1-OD1 3.47Å
702	G	28.1	Very low	33.2	Very low	77 Å²	77	157.6 Å²	157.6	79%	0.794	80%	0.802	S	S	*	*			trans	-169.8	125.4	173.5	0	0	0	0	0	115.9
703	Q	30.2	Very low	33.3	Very low	194 Å²	194	154.6 Å²	154.6	91%	0.907	80%	0.799	S	S	*	*			trans	-140.9	164.6	166.2	-109.8	-164.6	-0.6	0	0	107
704	P	45.1	Very low	33.5	Very low	107 Å²	107	154.9 Å²	154.9	70%	0.695	80%	0.801	S	S	*	*			cis	-143	-149	27.7	38.8	-15.2	0	0	0	114.8
705	V	29.3	Very low	33.9	Very low	136 Å²	136	151.1 Å²	151.1	82%	0.824	80%	0.802	S	S	*	*			trans	104.4	144.8	162.8	-172	0	0	0	0	116.8
706	V	34.4	Very low	34	Very low	126 Å²	126	149.5 Å²	149.5	76%	0.764	80%	0.804	S	S	*	*			trans	-134	149.1	-164.7	176	0	0	0	0	110.3
707	P	40.8	Very low	33.5	Very low	109 Å²	109	148.5 Å²	148.5	71%	0.708	81%	0.808	S	S	*	*			trans	-141.2	125.3	143.1	32.3	-15.1	0	0	0	116.8
708	K	30.2	Very low	33.7	Very low	201 Å²	201	146.6 Å²	146.6	87%	0.874	80%	0.801	S	S	*	*			trans	70.9	140	136.9	-59.1	172.8	-177.2	175.2	0	121.1
709	K	33.4	Very low	33.8	Very low	199 Å²	199	142.4 Å²	142.4	87%	0.865	80%	0.796	S	S	*	*			trans	-96.4	162.9	161.7	-61.9	-179.5	178.9	-179.2	0	110.2
710	P	39.3	Very low	33.7	Very low	130 Å²	130	138.5 Å²	138.5	84%	0.844	80%	0.795	S	S	*	*				-128.8	-163.3	122.5	37.7	-30.2	0	0	0	113
711	K	30.8	Very low	32.9	Very low	203 Å²	203	139.4 Å²	139.4	88%	0.883	79%	0.793	S	S	*	*			trans	-130.7	163.1	-173.9	-57.5	176.6	-179	177.5	0	111.4
712	R	28.5	Very low	32.7	Very low	230 Å²	230	142.5 Å²	142.5	87%	0.868	79%	0.794	S	S	*	*				121.6	140.1	126.2	-154.4	-163.2	-178.3	160.9	-0.1	117.4
713	S	29	Very low	32.6	Very low	101 Å²	101	143.8 Å²	143.8	71%	0.706	78%	0.783	S	S	*	*			trans	79.7	142.1	147.5	28.1	0	0	0	0	122.5
714	V	33.5	Very low	32.7	Very low	127 Å²	127	141.9 Å²	141.9	77%	0.77	77%	0.774	S	S	*	*			trans	-69.2	166.6	169.8	-139.4	0	0	0	0	111.5
715	P	36.7	Very low	32	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	77%	0.768	S	S	*	*				-140.8	172.5	95.5	40	-27.4	0	0	0	115.7
716	V	30.1	Very low	32.1	Very low	129 Å²	129	142 Å²	142	78%	0.782	76%	0.764	S	S	*	*			trans	-91.6	153.6	170.3	170.9	0	0	0	0	109.6
717	S	27.2	Very low	31.9	Very low	124 Å²	124	144.4 Å²	144.4	87%	0.867	77%	0.765	S	S	*	*			trans	-160	156.2	148.6	-125.9	0	0	0	0	113.3
718	S	32.5	Very low	31.4	Very low	98 Å²	98	147.8 Å²	147.8	69%	0.685	77%	0.771	S	S	*	*			trans	-134.2	162	-173.1	53.6	0	0	0	0	112
719	S	31.2	Very low	31.3	Very low	110 Å²	110	143 Å²	143	77%	0.769	77%	0.77	S	S	*	*			trans	-150.5	107.3	169.4	-62.5	0	0	0	0	108.4
720	V	33.3	Very low	31.1	Very low	120 Å²	120	138.6 Å²	138.6	73%	0.727	76%	0.763	S	S	*	*				69.1	138.7	74.3	-50.7	0	0	0	0	113.3
721	D	30.5	Very low	30.5	Very low	144 Å²	144	144.2 Å²	144.2	77%	0.77	77%	0.768	S	S	*	*			cis	-163.8	179.6	8.6	-140.2	-41.2	0	0	0	114.5
722	R	31.7	Very low	30.6	Very low	203 Å²	203	141.5 Å²	141.5	77%	0.766	76%	0.762	S	S	*	*			trans	93.5	122.1	144.3	-84.7	-168.1	120.5	126.8	12.9	125.9
723	D	27.6	Very low	31.3	Very low	103 Å²	103	136.2 Å²	136.2	55%	0.551	76%	0.758	S	S	*	*				50.7	147.2	121.4	-72	-24.6	0	0	0	123
724	Q	31.8	Very low	31.2	Very low	155 Å²	155	136.7 Å²	136.7	72%	0.724	76%	0.756	S	S	*	*			cis	-170.1	133.6	-23.2	-148.7	177.6	103	0	0	112.3
725	S	31.3	Very low	31	Very low	80 Å²	80	136.9 Å²	136.9	56%	0.559	76%	0.758	S	S	*	*			trans	55.4	148.1	146.1	66.2	0	0	0	0	126.6
726	H	29.8	Very low	30.8	Very low	164 Å²	164	135.3 Å²	135.3	76%	0.759	76%	0.755	S	S	*	*			trans	104.1	114.8	143.3	-67.8	-52.6	0	0	0	124.9
727	K	31.1	Very low	31.1	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	75%	0.752	S	S	*	*			trans	51.2	107.6	134.2	-69.6	-168.4	170.7	-169	0	123.8
728	E	29.2	Very low	31.2	Very low	180 Å²	180	136.5 Å²	136.5	84%	0.841	75%	0.752	S	S	*	*				39.5	118.6	107.6	-172.2	-176.4	-160.5	0	0	121.5
729	A	28.3	Very low	30.9	Very low	102 Å²	102	136.4 Å²	136.4	84%	0.843	75%	0.752	S	S	*	*			trans	-166.4	113.6	143.8	0	0	0	0	0	115.5
730	S	29.1	Very low	30.9	Very low	105 Å²	105	143.1 Å²	143.1	73%	0.734	76%	0.76	S	S	*	*			trans	-9	145	159.2	-173.4	0	0	0	0	123.1
731	R	28.4	Very low	30.6	Very low	248 Å²	248	145.1 Å²	145.1	94%	0.936	76%	0.762	S	S	*	*				-163	138	124.9	-104.6	164.1	-158.8	-147.8	3.2	115.2
732	L	31.6	Very low	30.4	Very low	147 Å²	147	142.4 Å²	142.4	77%	0.77	76%	0.76	S	S	*	*			trans	-87.2	172.2	167.6	-87.4	169.9	0	0	0	110.5
733	P	43.1	Very low	30.3	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	77%	0.765	S	S	*	*			cis	-141.4	-168.8	39.2	30.8	-5.1	0	0	0	115.4
734	T	28.1	Very low	30.3	Very low	111 Å²	111	141.2 Å²	141.2	68%	0.681	78%	0.778	S	S	*	*			cis	-179.5	144	-34.7	-77.1	0	0	0	0	106.9
735	V	27.6	Very low	30.2	Very low	132 Å²	132	140.8 Å²	140.8	80%	0.8	79%	0.786	S	S	*	*			trans	167.5	137.1	137.9	151.5	0	0	0	0	110.4
736	A	33.7	Very low	30	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	80%	0.8	S	S	*	*			trans	-155.6	142	164.5	0	0	0	0	0	110.9
737	P	36.2	Very low	30.5	Very low	110 Å²	110	142.5 Å²	142.5	71%	0.714	80%	0.797	S	S	*	*			trans	-126.8	135.8	147.2	17.9	2	0	0	0	110.1
738	L	28.2	Very low	30.3	Very low	167 Å²	167	140.7 Å²	140.7	87%	0.874	80%	0.801	S	S	*	*			cis	107.3	131.4	45.8	-87	170.1	0	0	0	112.1
739	S	28	Very low	30.7	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	80%	0.796	S	S	*	*			trans	-46	162.2	-169.4	-41.2	0	0	0	0	120.5
740	R	30.6	Very low	31	Very low	250 Å²	250	137.2 Å²	137.2	94%	0.943	78%	0.783	S	S	*	*				-154.6	151.6	123.1	-129.3	172.9	178.3	163.1	-1.1	113.7
741	E	26.8	Very low	31.6	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	77%	0.774	S	S	*	*			trans	-102	158.2	-174.2	-75.2	121.7	85	0	0	115.5
742	A	27.1	Very low	32.8	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	75%	0.751	S	S	*	*			trans	51.4	132.2	140.2	0	0	0	0	0	122.7
743	S	28.3	Very low	33.8	Very low	124 Å²	124	128.8 Å²	128.8	87%	0.867	74%	0.738	S	S	*	*				-161.3	146.2	127.3	-75.9	0	0	0	0	110.2
744	D	28	Very low	34.6	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	73%	0.726	S	S	*	*			trans	-86.4	152.7	-167.7	-49.9	-92.3	0	0	0	115.3
745	V	30.6	Very low	36	Very low	146 Å²	146	126.6 Å²	126.6	89%	0.885	72%	0.719	S	S	*	*			trans	-136.2	137.1	150.6	-179.5	0	0	0	0	107.9
746	M	26.9	Very low	37.4	Very low	172 Å²	172	123.9 Å²	123.9	85%	0.847	70%	0.703	S	S	*	*			trans	-69	151.6	-171.4	-75.1	-76.4	-74	0	0	114.2
747	P	40.1	Very low	38.8	Very low	107 Å²	107	127.1 Å²	127.1	70%	0.695	70%	0.695	S	S	*	*			trans	-90.2	163.3	-175	36.8	-37.3	0	0	0	114.6
748	T	27.3	Very low	40.1	Very low	139 Å²	139	125.7 Å²	125.7	85%	0.853	69%	0.685	S	S	*	*			trans	-157	154.9	155.7	9.9	0	0	0	0	107.8
749	P	37.4	Very low	41.7	Very low	114 Å²	114	121.5 Å²	121.5	74%	0.74	66%	0.661	S	S	*	*	S	Bend		-105.9	135.6	-124.5	36.5	-37.2	0	0	0	117.2
750	T	34	Very low	43.2	Very low	95 Å²	95	121.5 Å²	121.5	58%	0.583	66%	0.657	S	S	*	*				-173.9	119.3	124.2	17.1	0	0	0	0	107.8	R752	T750-R752 VanDerWaalsContact C-N 3.3Å; T750-R752 PolarHBondContact O-N 3.11Å
751	V	40.9	Very low	44.7	Very low	89 Å²	89	113.1 Å²	113.1	54%	0.539	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.1	83.6	176.3	-178	0	0	0	0	108.6	K753	V751-K753 PolarHBondContact O-N 3.43Å
752	R	54.1	Low	45.4	Very low	119 Å²	119	111.9 Å²	111.9	45%	0.449	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.8	99.2	176.6	-60.8	-179.1	-173.2	-174.7	-4.5	109.4	T750 T754 F774	T750-R752 VanDerWaalsContact C-N 3.3Å; T750-R752 PolarHBondContact O-N 3.11Å; R752-T754 PolarHBondContact O-N 3.32Å; R752-F774 HydrophobicContact CG-CD1 4.18Å; R752-F774 HydrophobicContact CG-CE1 4.13Å
753	K	53.9	Low	46.5	Very low	115 Å²	115	113.2 Å²	113.2	50%	0.5	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	97.8	174.4	176	163.8	162.6	-75	0	108.5	V751 E773	V751-K753 PolarHBondContact O-N 3.43Å; K753-E773 HydrophobicContact CB-CB 4.28Å; K753-E773 WeakPolarHBondContact CD-OE2 3.34Å; K753-E773 PolarHBondContact N-O 2.9Å; K753-E773 VanDerWaalsContact N-O 3.1Å; K753-E773 IonicContact NZ-OE1 2.8Å; K753-E773 PolarHBondContact NZ-OE1 3.43Å; K753-E773 IonicContact NZ-OE2 2.63Å; K753-E773 PolarHBondContact NZ-OE2 2.98Å; K753-E773 PolarHBondContact O-N 3.04Å
754	T	59	Low	47.7	Very low	85 Å²	85	110 Å²	110	52%	0.521	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.2	116.5	176.4	-55.1	0	0	0	0	109.7	R752 T770 I771 V772	R752-T754 PolarHBondContact O-N 3.32Å; T754-T770 HydrophobicContact CG2-CG2 4Å; T754-I771 CarbonylContact C-O 3.57Å; T754-I771 WeakPolarHBondContact CA-O 3.5Å; T754-V772 HydrophobicContact CG2-CG2 4.18Å
755	D	58	Low	48.9	Very low	99 Å²	99	103.3 Å²	103.3	53%	0.529	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.5	149.8	166.6	-168.9	11.8	0	0	0	109.5	T770 I771	D755-T770 WeakPolarHBondContact O-CA 3.31Å; D755-I771 PolarHBondContact N-O 3Å; D755-I771 PolarHBondContact O-N 2.88Å
756	T	57.2	Low	50.3	Low	74 Å²	74	101.2 Å²	101.2	45%	0.454	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.5	111.4	177.3	-68.1	0	0	0	0	111.1	T768 T769 T770	T756-T768 HydrophobicContact CG2-CG2 3.94Å; T756-T769 CarbonylContact C-O 3.54Å; T756-T769 WeakPolarHBondContact CA-O 3.41Å; T756-T770 WeakPolarHBondContact CG2-OG1 3.48Å; T756-T770 WeakPolarHBondContact OG1-CG2 3.48Å; T756-T770 PolarHBondContact OG1-OG1 3.17Å
757	R	62	Low	51.7	Low	161 Å²	161	95 Å²	95	61%	0.608	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.7	179.3	174.2	176.1	171.9	164	-5	109.6	E759 T769	R757-E759 IonicContact CZ-OE2 2.69Å; R757-E759 VanDerWaalsContact CZ-OE2 3.22Å; R757-E759 IonicContact NE-OE2 3.52Å; R757-E759 PolarHBondContact NE-OE2 3.05Å; R757-E759 IonicContact NH2-OE2 2.7Å; R757-E759 PolarHBondContact NH2-OE2 2.7Å; R757-T769 PolarHBondContact N-O 2.9Å; R757-T769 PolarHBondContact O-N 3.41Å
758	T	62.9	Low	52.9	Low	80 Å²	80	91.8 Å²	91.8	49%	0.491	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.2	166.2	-61.5	0	0	0	0	109.6	L767 T768	T758-L767 CarbonylContact C-O 3.52Å; T758-L767 WeakPolarHBondContact CA-O 3.48Å; T758-T768 WeakPolarHBondContact OG1-CG2 3.49Å; T758-T768 PolarHBondContact OG1-OG1 3.34Å
759	E	63.7	Low	54.5	Low	79 Å²	79	86.3 Å²	86.3	37%	0.369	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.4	-179.6	-170.7	164.2	147.2	0	0	110.7	R757 L767	R757-E759 IonicContact CZ-OE2 2.69Å; R757-E759 VanDerWaalsContact CZ-OE2 3.22Å; R757-E759 IonicContact NE-OE2 3.52Å; R757-E759 PolarHBondContact NE-OE2 3.05Å; R757-E759 IonicContact NH2-OE2 2.7Å; R757-E759 PolarHBondContact NH2-OE2 2.7Å; E759-L767 PolarHBondContact N-O 3.38Å; E759-L767 PolarHBondContact O-N 3.26Å
760	T	59	Low	55.7	Low	96 Å²	96	82.7 Å²	82.7	59%	0.589	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.2	175.7	-45.2	0	0	0	0	109.2
761	Q	61.2	Low	57.3	Low	74 Å²	74	80.9 Å²	80.9	35%	0.346	44%	0.438	S	S	.	.			trans	-69.6	153.7	178.1	-69.5	-76.2	-10.4	0	0	110.9	N763 G764 S765	Q761-N763 WeakPolarHBondContact CB-OD1 3.23Å; Q761-N763 PolarHBondContact O-N 2.63Å; Q761-N763 PolarHBondContact O-OD1 2.8Å; Q761-G764 PolarHBondContact O-N 3.34Å; Q761-S765 WeakPolarHBondContact CB-O 3.4Å; Q761-S765 PolarHBondContact N-O 3.16Å
762	P	42.7	Very low	58.4	Low	137 Å²	137	78 Å²	78	89%	0.89	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.8	-174.6	28.5	-36.2	0	0	0	115
763	N	49.6	Very low	58.4	Low	116 Å²	116	75.8 Å²	75.8	62%	0.62	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.3	170	65.3	-18.1	0	0	0	113.3	Q761 S765	Q761-N763 WeakPolarHBondContact CB-OD1 3.23Å; Q761-N763 PolarHBondContact O-N 2.63Å; Q761-N763 PolarHBondContact O-OD1 2.8Å; N763-S765 PolarHBondContact ND2-OG 3.28Å; N763-S765 PolarHBondContact OD1-N 2.79Å; N763-S765 PolarHBondContact OD1-OG 3.04Å
764	G	53.1	Low	58.5	Low	57 Å²	57	72.5 Å²	72.5	59%	0.588	40%	0.402	S	S	*	.	S	Bend	trans	88	5.8	-175.8	0	0	0	0	0	116.1	Q761	Q761-G764 PolarHBondContact O-N 3.34Å
765	S	52.7	Low	57.9	Low	16 Å²	16	72 Å²	72	11%	0.112	40%	0.398	C	S	.	.			trans	-83.8	140.6	171.8	59.8	0	0	0	0	111.7	Q761 N763 K827	Q761-S765 WeakPolarHBondContact CB-O 3.4Å; Q761-S765 PolarHBondContact N-O 3.16Å; N763-S765 PolarHBondContact ND2-OG 3.28Å; N763-S765 PolarHBondContact OD1-N 2.79Å; N763-S765 PolarHBondContact OD1-OG 3.04Å; S765-K827 WeakPolarHBondContact CA-O 3.02Å; S765-K827 VanDerWaalsContact CB-O 3.28Å; S765-K827 WeakPolarHBondContact CB-O 3.41Å
766	E	59.8	Low	57.1	Low	102 Å²	102	74.3 Å²	74.3	48%	0.477	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.5	174.9	-64.6	-174.5	146	0	0	110.5	K827	E766-K827 PolarHBondContact N-O 2.7Å; E766-K827 VanDerWaalsContact N-O 3.17Å; E766-K827 PolarHBondContact O-N 3.12Å
767	L	57.2	Low	56	Low	42 Å²	42	78 Å²	78	22%	0.22	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.6	172.2	175.7	63.1	0	0	0	108.7	T758 E759 H824 S826	T758-L767 CarbonylContact C-O 3.52Å; T758-L767 WeakPolarHBondContact CA-O 3.48Å; E759-L767 PolarHBondContact N-O 3.38Å; E759-L767 PolarHBondContact O-N 3.26Å; L767-H824 HydrophobicContact CD1-CB 4.38Å; L767-S826 WeakPolarHBondContact CD1-OG 3.43Å
768	T	65.6	Low	54.6	Low	39 Å²	39	78.4 Å²	78.4	24%	0.239	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.6	169.4	-61.4	0	0	0	0	109.1	T756 T758 V825	T756-T768 HydrophobicContact CG2-CG2 3.94Å; T758-T768 WeakPolarHBondContact OG1-CG2 3.49Å; T758-T768 PolarHBondContact OG1-OG1 3.34Å; T768-V825 PolarHBondContact N-O 2.8Å; T768-V825 PolarHBondContact O-N 2.71Å
769	T	60.5	Low	53.1	Low	23 Å²	23	83.1 Å²	83.1	14%	0.141	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.1	174.2	-61.9	0	0	0	0	108.8	T756 R757 I771 T822 H824	T756-T769 CarbonylContact C-O 3.54Å; T756-T769 WeakPolarHBondContact CA-O 3.41Å; R757-T769 PolarHBondContact N-O 2.9Å; R757-T769 PolarHBondContact O-N 3.41Å; T769-I771 HydrophobicContact CG2-CD1 4.41Å; T769-I771 HydrophobicContact CG2-CG1 4.09Å; T769-T822 HydrophobicContact CG2-CG2 4.4Å; T769-H824 WeakPolarHBondContact CG2-CE1 3.28Å; T769-H824 WeakPolarHBondContact CG2-ND1 3.33Å; T769-H824 PolarHBondContact OG1-ND1 2.96Å
770	T	62.6	Low	51.3	Low	38 Å²	38	82.8 Å²	82.8	23%	0.233	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.8	172.4	-66.8	0	0	0	0	109	T754 D755 T756 V772 T823	T754-T770 HydrophobicContact CG2-CG2 4Å; D755-T770 WeakPolarHBondContact O-CA 3.31Å; T756-T770 WeakPolarHBondContact CG2-OG1 3.48Å; T756-T770 WeakPolarHBondContact OG1-CG2 3.48Å; T756-T770 PolarHBondContact OG1-OG1 3.17Å; T770-V772 HydrophobicContact CG2-CG2 4.24Å; T770-T823 PolarHBondContact N-O 3.14Å; T770-T823 PolarHBondContact O-N 3.01Å
771	I	67.1	Low	50.1	Low	57 Å²	57	86.2 Å²	86.2	29%	0.292	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128	177.6	-59	169.5	0	0	0	107.2	T754 D755 T769 E773 T822	T754-I771 CarbonylContact C-O 3.57Å; T754-I771 WeakPolarHBondContact CA-O 3.5Å; D755-I771 PolarHBondContact N-O 3Å; D755-I771 PolarHBondContact O-N 2.88Å; T769-I771 HydrophobicContact CG2-CD1 4.41Å; T769-I771 HydrophobicContact CG2-CG1 4.09Å; I771-E773 HydrophobicContact CG2-CG 4.31Å; I771-T822 HydrophobicContact CG1-CG2 4.05Å
772	V	63.6	Low	48.5	Very low	30 Å²	30	89.4 Å²	89.4	18%	0.182	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	111.3	174.1	-173.2	0	0	0	0	108.3	T754 T770 F774 S820 A821	T754-V772 HydrophobicContact CG2-CG2 4.18Å; T770-V772 HydrophobicContact CG2-CG2 4.24Å; V772-F774 HydrophobicContact CB-CE2 4.4Å; V772-F774 HydrophobicContact CB-CZ 4.45Å; V772-F774 HydrophobicContact CG1-CD2 4.44Å; V772-F774 HydrophobicContact CG1-CE1 3.91Å; V772-F774 HydrophobicContact CG1-CE2 3.81Å; V772-F774 HydrophobicContact CG1-CZ 3.52Å; V772-S820 VanDerWaalsContact O-CA 3.31Å; V772-S820 WeakPolarHBondContact O-CA 3.38Å; V772-A821 PolarHBondContact N-O 3.11Å; V772-A821 PolarHBondContact O-N 3.07Å
773	E	55.9	Low	47.7	Very low	72 Å²	72	87.5 Å²	87.5	34%	0.336	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.5	171.2	-65.6	167.5	-177.2	0	0	109.5	K753 I771	K753-E773 HydrophobicContact CB-CB 4.28Å; K753-E773 WeakPolarHBondContact CD-OE2 3.34Å; K753-E773 PolarHBondContact N-O 2.9Å; K753-E773 VanDerWaalsContact N-O 3.1Å; K753-E773 IonicContact NZ-OE1 2.8Å; K753-E773 PolarHBondContact NZ-OE1 3.43Å; K753-E773 IonicContact NZ-OE2 2.63Å; K753-E773 PolarHBondContact NZ-OE2 2.98Å; K753-E773 PolarHBondContact O-N 3.04Å; I771-E773 HydrophobicContact CG2-CG 4.31Å
774	F	56.1	Low	46.7	Very low	45 Å²	45	89.7 Å²	89.7	20%	0.197	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.3	172.1	-57	-83.8	0	0	0	108.3	R752 V772 V818 T819	R752-F774 HydrophobicContact CG-CD1 4.18Å; R752-F774 HydrophobicContact CG-CE1 4.13Å; V772-F774 HydrophobicContact CB-CE2 4.4Å; V772-F774 HydrophobicContact CB-CZ 4.45Å; V772-F774 HydrophobicContact CG1-CD2 4.44Å; V772-F774 HydrophobicContact CG1-CE1 3.91Å; V772-F774 HydrophobicContact CG1-CE2 3.81Å; V772-F774 HydrophobicContact CG1-CZ 3.52Å; F774-V818 HydrophobicContact CD2-CG1 4.28Å; F774-V818 WeakPolarHBondContact CD2-O 3.49Å; F774-V818 HydrophobicContact CE2-CG1 4Å; F774-T819 PolarHBondContact N-O 3.22Å
775	T	44.8	Very low	45.4	Very low	74 Å²	74	91.6 Å²	91.6	45%	0.454	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	113.8	178	60.1	0	0	0	0	110.4
776	D	41.8	Very low	44.1	Very low	149 Å²	149	99.3 Å²	99.3	80%	0.797	55%	0.548	S	S	*	.			trans	-69.1	158.5	161.1	-97.2	-55.4	0	0	0	111.6
777	Q	34.8	Very low	42.4	Very low	152 Å²	152	100.7 Å²	100.7	71%	0.71	56%	0.564	S	S	*	*			trans	-108.2	137.1	175.1	-71.4	-170.6	-19.5	0	0	110.8	H779	Q777-H779 PolarHBondContact O-N 2.92Å; Q777-H779 PolarHBondContact O-ND1 3.23Å
778	D	32	Very low	40.7	Very low	168 Å²	168	103 Å²	103	90%	0.898	58%	0.583	S	S	*	*			trans	-40.5	126.4	-172.1	-74.6	-58.8	0	0	0	114.4	G780	D778-G780 VanDerWaalsContact C-N 3.29Å; D778-G780 PolarHBondContact O-N 3.39Å
779	H	31.8	Very low	38.7	Very low	180 Å²	180	111.2 Å²	111.2	83%	0.833	61%	0.611	S	S	*	*			trans	-74.1	80.3	172.3	-76.8	11.1	0	0	0	111.6	Q777 I781	Q777-H779 PolarHBondContact O-N 2.92Å; Q777-H779 PolarHBondContact O-ND1 3.23Å; H779-I781 PolarHBondContact O-N 2.83Å
780	G	26.6	Very low	36.9	Very low	72 Å²	72	114.8 Å²	114.8	74%	0.742	64%	0.637	S	S	*	*			trans	-64	99	171.2	0	0	0	0	0	112.5	D778 T782	D778-G780 VanDerWaalsContact C-N 3.29Å; D778-G780 PolarHBondContact O-N 3.39Å; G780-T782 PolarHBondContact O-N 2.77Å
781	I	33.3	Very low	35	Very low	167 Å²	167	118 Å²	118	86%	0.856	66%	0.656	S	S	*	*			trans	-43	114.9	175.6	32.5	169	0	0	0	114.6	H779	H779-I781 PolarHBondContact O-N 2.83Å
782	T	26.7	Very low	33.1	Very low	141 Å²	141	125.8 Å²	125.8	87%	0.865	68%	0.682	S	S	*	*			trans	-153.8	142.7	150.4	-59	0	0	0	0	109.3	G780	G780-T782 PolarHBondContact O-N 2.77Å
783	S	26.6	Very low	31.3	Very low	98 Å²	98	131.6 Å²	131.6	69%	0.685	71%	0.707	S	S	*	*			trans	-97.2	150	-178	50.9	0	0	0	0	113.2
784	L	28.5	Very low	29.8	Very low	161 Å²	161	132.9 Å²	132.9	84%	0.843	72%	0.724	S	S	*	*				162.3	161.5	124.1	-87.4	165.4	0	0	0	114.7
785	S	26	Very low	28.2	Very low	97 Å²	97	137.4 Å²	137.4	68%	0.678	76%	0.755	S	S	*	*			trans	62.6	104	153.3	51.7	0	0	0	0	121.4
786	E	24.6	Very low	27.3	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	77%	0.768	S	S	*	*				53.2	134.5	115.7	-74.3	-167.9	105.5	0	0	123.4
787	V	23.5	Very low	27.2	Very low	131 Å²	131	137.5 Å²	137.5	79%	0.794	77%	0.768	S	S	*	*			trans	70.7	145.8	135.9	165	0	0	0	0	118.9
788	S	22.3	Very low	26.8	Very low	90 Å²	90	136.1 Å²	136.1	63%	0.629	77%	0.769	S	S	*	*			cis	-176.9	168	-33.9	-147	0	0	0	0	108.7
789	Y	23.2	Very low	26.5	Very low	212 Å²	212	135.6 Å²	135.6	83%	0.831	76%	0.762	S	S	*	*			trans	60.1	107.1	161.9	-87	-100.9	0	0	0	121.7
790	S	23.2	Very low	26.2	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	76%	0.762	S	S	*	*				63.8	142.7	111.2	-175.2	0	0	0	0	121.7
791	T	23.4	Very low	26	Very low	105 Å²	105	138.3 Å²	138.3	64%	0.644	77%	0.768	S	S	*	*				149.5	109.3	113.3	-59	0	0	0	0	115
792	R	26.1	Very low	25.6	Very low	221 Å²	221	134.1 Å²	134.1	83%	0.834	77%	0.766	S	S	*	*			trans	65.2	172.2	151.4	-71.6	-178.9	177.3	-179.6	-1.9	119.5
793	Q	25.6	Very low	25.9	Very low	152 Å²	152	138.3 Å²	138.3	71%	0.71	77%	0.773	S	S	*	*			cis	-179.7	159.6	-36	-169.1	173.5	15	0	0	109.6
794	S	24.4	Very low	25.8	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	78%	0.778	S	S	*	*			trans	100.5	129.9	143.3	85.3	0	0	0	0	122.6
795	V	23.4	Very low	26	Very low	140 Å²	140	141.4 Å²	141.4	85%	0.848	78%	0.782	S	S	*	*			trans	58.7	137.7	151.7	-117.9	0	0	0	0	124.5
796	S	26.7	Very low	26.1	Very low	103 Å²	103	146.4 Å²	146.4	72%	0.72	80%	0.795	S	S	*	*			trans	-101.6	170.3	161	-38.9	0	0	0	0	111.1
797	P	39.4	Very low	26.1	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	79%	0.794	S	S	*	*				-158.2	138.3	101.3	37.1	-16.6	0	0	0	119.7
798	V	26.1	Very low	26.4	Very low	123 Å²	123	142 Å²	142	75%	0.745	80%	0.796	S	S	*	*			trans	30.3	116.1	136.1	-158	0	0	0	0	122.4
799	H	25.3	Very low	26.7	Very low	158 Å²	158	141.2 Å²	141.2	73%	0.731	80%	0.802	S	S	*	*				-175.2	122.3	116.7	-108.2	79.9	0	0	0	119
800	R	25	Very low	26.7	Very low	225 Å²	225	136.5 Å²	136.5	85%	0.849	80%	0.8	S	S	*	*			trans	32.9	108	137.5	-165.3	-169.4	-69.8	-145.2	-0.7	122.4
801	G	23.7	Very low	27.1	Very low	84 Å²	84	137.7 Å²	137.7	87%	0.866	81%	0.806	S	S	*	*				105.7	125.9	116.5	0	0	0	0	0	120.6
802	G	24.2	Very low	27.5	Very low	79 Å²	79	135.9 Å²	135.9	81%	0.814	79%	0.791	S	S	*	*			trans	162.4	138.4	166.9	0	0	0	0	0	112.9
803	F	32.2	Very low	27.7	Very low	229 Å²	229	133.3 Å²	133.3	100%	1.004	79%	0.793	S	S	*	*			trans	-84.9	133.7	173.5	-88.3	-98.9	0	0	0	110.8
804	G	24.6	Very low	28.4	Very low	78 Å²	78	128.7 Å²	128.7	80%	0.804	78%	0.775	S	S	*	*			trans	-161.5	135.1	172.2	0	0	0	0	0	110.7
805	R	34.2	Very low	29.4	Very low	245 Å²	245	125.6 Å²	125.6	93%	0.925	76%	0.756	S	S	*	*			trans	-111.4	99.9	-177	174.5	-161.6	-178.3	-133.4	7	109.3
806	E	26.7	Very low	30.5	Very low	203 Å²	203	128.8 Å²	128.8	95%	0.949	76%	0.762	S	S	*	*			trans	-159.5	179.8	158.1	-122	155.8	-135.1	0	0	111.9
807	S	25.7	Very low	31.8	Very low	115 Å²	115	126.7 Å²	126.7	80%	0.804	74%	0.742	S	S	*	*			trans	-118.1	172.9	-152	-164.6	0	0	0	0	114.9
808	A	28.6	Very low	32.7	Very low	101 Å²	101	121.6 Å²	121.6	84%	0.835	71%	0.709	S	S	*	*			trans	75.6	139.8	165.4	0	0	0	0	0	118.8
809	G	28.4	Very low	34.2	Very low	75 Å²	75	118 Å²	118	77%	0.773	69%	0.688	S	S	*	*			trans	115.8	78.5	151.4	0	0	0	0	0	117.2
810	S	24.7	Very low	35.9	Very low	113 Å²	113	111.9 Å²	111.9	79%	0.79	66%	0.662	S	S	*	*			trans	-137.1	132.7	144.9	-73.1	0	0	0	0	107.9	I812	S810-I812 PolarHBondContact O-N 3.31Å
811	P	31.4	Very low	37.9	Very low	121 Å²	121	101.4 Å²	101.4	79%	0.786	62%	0.624	S	S	*	*			trans	-72.4	132.2	-169.6	28	-34	0	0	0	111.3	L813	P811-L813 PolarHBondContact O-N 3.35Å
812	I	31.2	Very low	39.9	Very low	67 Å²	67	98.8 Å²	98.8	34%	0.344	59%	0.591	S	S	.	*			trans	-64.5	122.4	169.4	-55.8	170.8	0	0	0	107.8	S810 V814	S810-I812 PolarHBondContact O-N 3.31Å; I812-V814 VanDerWaalsContact C-N 3.31Å; I812-V814 HydrophobicContact CB-CG2 4.22Å; I812-V814 HydrophobicContact CG2-CG2 3.79Å; I812-V814 PolarHBondContact O-N 2.84Å; I812-V814 VanDerWaalsContact O-N 3.08Å
813	L	31.4	Very low	42.1	Very low	167 Å²	167	96 Å²	96	87%	0.874	56%	0.559	S	S	*	*			trans	-75.2	88.6	164.8	-64.5	177.1	0	0	0	107.7	P811	P811-L813 PolarHBondContact O-N 3.35Å
814	V	39.1	Very low	43.6	Very low	55 Å²	55	88.4 Å²	88.4	33%	0.333	53%	0.526	S	S	.	.			trans	-74.6	132.1	174.6	-174.3	0	0	0	0	107.8	I812 V818	I812-V814 VanDerWaalsContact C-N 3.31Å; I812-V814 HydrophobicContact CB-CG2 4.22Å; I812-V814 HydrophobicContact CG2-CG2 3.79Å; I812-V814 PolarHBondContact O-N 2.84Å; I812-V814 VanDerWaalsContact O-N 3.08Å; V814-V818 HydrophobicContact CG1-CB 4.43Å
815	A	45	Very low	45.6	Very low	35 Å²	35	86.2 Å²	86.2	29%	0.289	50%	0.497	S	S	.	.			trans	-68.7	142.1	172.1	0	0	0	0	0	110	N817 V818 I858	A815-N817 WeakPolarHBondContact CB-OD1 3.31Å; A815-N817 PolarHBondContact O-N 3.43Å; A815-V818 PolarHBondContact O-N 3.01Å; A815-I858 HydrophobicContact CB-CD1 4.33Å; A815-I858 HydrophobicContact CB-CG2 4.3Å
816	E	47.3	Very low	47	Very low	206 Å²	206	76.4 Å²	76.4	96%	0.963	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	13.2	-166.8	-60.4	175.5	137.5	0	0	114.7
817	N	54.4	Low	48.6	Very low	59 Å²	59	71.9 Å²	71.9	32%	0.316	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	8.7	-173.4	60.8	-6.4	0	0	0	114.7	A815 I844	A815-N817 WeakPolarHBondContact CB-OD1 3.31Å; A815-N817 PolarHBondContact O-N 3.43Å; N817-I844 HydrophobicContact CB-CG2 4.33Å; N817-I844 WeakPolarHBondContact O-CA 3.33Å; N817-I844 WeakPolarHBondContact O-CG2 3.28Å
818	V	57.2	Low	50.3	Low	15 Å²	15	68.9 Å²	68.9	9%	0.091	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.1	176.4	179.8	0	0	0	0	110.8	F774 V814 A815 I842 I844	F774-V818 HydrophobicContact CD2-CG1 4.28Å; F774-V818 WeakPolarHBondContact CD2-O 3.49Å; F774-V818 HydrophobicContact CE2-CG1 4Å; V814-V818 HydrophobicContact CG1-CB 4.43Å; A815-V818 PolarHBondContact O-N 3.01Å; V818-I842 HydrophobicContact CG1-CG2 3.71Å; V818-I842 HydrophobicContact CG2-CG2 4.35Å; V818-I844 HydrophobicContact CG2-CG1 4.32Å
819	T	58.2	Low	51	Low	49 Å²	49	69 Å²	69	30%	0.301	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-38.3	-174	-20.3	0	0	0	0	112.8	F774 I843 T845	F774-T819 PolarHBondContact N-O 3.22Å; T819-I843 PolarHBondContact N-O 3.33Å; T819-I843 PolarHBondContact OG1-O 3.18Å; T819-T845 WeakPolarHBondContact CG2-OG1 3.25Å; T819-T845 WeakPolarHBondContact OG1-CB 3.49Å; T819-T845 PolarHBondContact OG1-N 3.1Å; T819-T845 PolarHBondContact OG1-OG1 3.12Å
820	S	61.6	Low	51.7	Low	28 Å²	28	73.8 Å²	73.8	20%	0.196	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	152.5	171.4	63.6	0	0	0	0	112.6	V772 I843	V772-S820 VanDerWaalsContact O-CA 3.31Å; V772-S820 WeakPolarHBondContact O-CA 3.38Å; S820-I843 PolarHBondContact N-O 2.95Å; S820-I843 PolarHBondContact O-N 2.95Å
821	A	66.9	Low	52.4	Low	6 Å²	6	71.9 Å²	71.9	5%	0.05	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.6	174.6	0	0	0	0	0	110.4	V772 R841 I842	V772-A821 PolarHBondContact N-O 3.11Å; V772-A821 PolarHBondContact O-N 3.07Å; A821-R841 WeakPolarHBondContact CA-O 3.37Å; A821-I842 HydrophobicContact CB-CG1 4.39Å
822	T	65.7	Low	52.8	Low	28 Å²	28	69.6 Å²	69.6	17%	0.172	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.1	177.3	-65.2	0	0	0	0	109.3	T769 I771 K840 R841	T769-T822 HydrophobicContact CG2-CG2 4.4Å; I771-T822 HydrophobicContact CG1-CG2 4.05Å; T822-K840 WeakPolarHBondContact O-CA 3.44Å; T822-R841 PolarHBondContact N-O 3.11Å; T822-R841 PolarHBondContact O-N 3.22Å
823	T	69	Low	53	Low	22 Å²	22	74.4 Å²	74.4	14%	0.135	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.6	179.9	-51.4	0	0	0	0	109.6	T770 V825 I838	T770-T823 PolarHBondContact N-O 3.14Å; T770-T823 PolarHBondContact O-N 3.01Å; T823-V825 HydrophobicContact CG2-CG2 4.19Å; T823-I838 HydrophobicContact CG2-CG2 3.66Å
824	H	64.3	Low	53.7	Low	68 Å²	68	70.6 Å²	70.6	32%	0.315	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.2	172.4	-62	-73.7	0	0	0	109.6	L767 T769 I838 E839	L767-H824 HydrophobicContact CD1-CB 4.38Å; T769-H824 WeakPolarHBondContact CG2-CE1 3.28Å; T769-H824 WeakPolarHBondContact CG2-ND1 3.33Å; T769-H824 PolarHBondContact OG1-ND1 2.96Å; H824-I838 WeakPolarHBondContact O-CA 3.45Å; H824-E839 HydrophobicContact CB-CB 4.47Å; H824-E839 PolarHBondContact N-O 3.46Å; H824-E839 PolarHBondContact O-N 2.93Å
825	V	66.3	Low	54.6	Low	32 Å²	32	73.3 Å²	73.3	19%	0.194	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.2	173.8	-177.3	0	0	0	0	108.3	T768 T823 K827 T836 I838	T768-V825 PolarHBondContact N-O 2.8Å; T768-V825 PolarHBondContact O-N 2.71Å; T823-V825 HydrophobicContact CG2-CG2 4.19Å; V825-K827 HydrophobicContact CG1-CG 4.43Å; V825-T836 HydrophobicContact CG1-CG2 4.06Å; V825-I838 HydrophobicContact CG1-CG1 4.3Å; V825-I838 HydrophobicContact CG2-CD1 4.28Å; V825-I838 HydrophobicContact CG2-CG1 4.16Å; V825-I838 HydrophobicContact CG2-CG2 4.36Å
826	S	63.1	Low	55.3	Low	40 Å²	40	74 Å²	74	28%	0.28	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.7	176.6	-61.4	0	0	0	0	110.1	L767 T836 R837	L767-S826 WeakPolarHBondContact CD1-OG 3.43Å; S826-T836 WeakPolarHBondContact O-CA 3.5Å; S826-R837 PolarHBondContact N-O 2.87Å; S826-R837 PolarHBondContact O-N 3.11Å
827	K	61.4	Low	56.1	Low	107 Å²	107	68.5 Å²	68.5	47%	0.465	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.2	174.2	-72.4	-175.2	176.6	177.3	0	110.6	S765 E766 V825 E835 T836	S765-K827 WeakPolarHBondContact CA-O 3.02Å; S765-K827 VanDerWaalsContact CB-O 3.28Å; S765-K827 WeakPolarHBondContact CB-O 3.41Å; E766-K827 PolarHBondContact N-O 2.7Å; E766-K827 VanDerWaalsContact N-O 3.17Å; E766-K827 PolarHBondContact O-N 3.12Å; V825-K827 HydrophobicContact CG1-CG 4.43Å; K827-E835 WeakPolarHBondContact CA-O 3.24Å; K827-T836 HydrophobicContact CG-CG2 4.04Å
828	T	61.4	Low	56.5	Low	53 Å²	53	66.2 Å²	66.2	33%	0.325	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.2	178.8	-55.4	0	0	0	0	109.6	E835	T828-E835 PolarHBondContact N-O 2.94Å; T828-E835 PolarHBondContact O-N 3.29Å
829	V	43.3	Very low	57.1	Low	104 Å²	104	68.9 Å²	68.9	63%	0.63	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.5	171.7	-175.9	0	0	0	0	108.7	Y833	V829-Y833 CarbonylContact C-O 3.55Å; V829-Y833 WeakPolarHBondContact CA-O 3.24Å
830	K	43.5	Very low	57.4	Low	174 Å²	174	67.1 Å²	67.1	76%	0.757	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	117.2	179.7	-168.9	178.9	-179.9	-175.3	0	111.2	G832 Y833	K830-G832 VanDerWaalsContact C-N 3.33Å; K830-G832 PolarHBondContact O-N 3.02Å; K830-Y833 PolarHBondContact N-O 3.36Å; K830-Y833 PolarHBondContact O-N 3.04Å
831	G	38	Very low	57.7	Low	73 Å²	73	69.9 Å²	69.9	75%	0.753	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	33.7	175.6	0	0	0	0	0	114.3	Y833	G831-Y833 WeakPolarHBondContact O-CD2 3.22Å
832	G	41.3	Very low	57.6	Low	74 Å²	74	69.9 Å²	69.9	76%	0.763	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-21.5	-178.3	0	0	0	0	0	114.8	K830	K830-G832 VanDerWaalsContact C-N 3.33Å; K830-G832 PolarHBondContact O-N 3.02Å
833	Y	35.8	Very low	57.5	Low	168 Å²	168	71.1 Å²	71.1	66%	0.659	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	141.5	-179.6	-57.3	-88.2	0	0	0	111.7	V829 K830 G831	V829-Y833 CarbonylContact C-O 3.55Å; V829-Y833 WeakPolarHBondContact CA-O 3.24Å; K830-Y833 PolarHBondContact N-O 3.36Å; K830-Y833 PolarHBondContact O-N 3.04Å; G831-Y833 WeakPolarHBondContact O-CD2 3.22Å
834	S	45.4	Very low	57.3	Low	87 Å²	87	70.3 Å²	70.3	61%	0.608	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	103.1	179.2	45.4	0	0	0	0	111.5
835	E	57.4	Low	56.8	Low	112 Å²	112	70.4 Å²	70.4	52%	0.523	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.6	173.2	-171.8	179.3	178.1	0	0	109.6	K827 T828	K827-E835 WeakPolarHBondContact CA-O 3.24Å; T828-E835 PolarHBondContact N-O 2.94Å; T828-E835 PolarHBondContact O-N 3.29Å
836	T	59.9	Low	56.2	Low	50 Å²	50	70.5 Å²	70.5	31%	0.307	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	109.8	172.4	-57.3	0	0	0	0	109.4	V825 S826 K827 I838	V825-T836 HydrophobicContact CG1-CG2 4.06Å; S826-T836 WeakPolarHBondContact O-CA 3.5Å; K827-T836 HydrophobicContact CG-CG2 4.04Å; T836-I838 HydrophobicContact CG2-CG1 4.34Å
837	R	64.9	Low	55.6	Low	89 Å²	89	77 Å²	77	34%	0.336	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.9	170.3	-178.6	-171.2	175.7	101.9	-7.6	108.7	D603 S826 E839	D603-R837 IonicContact OD1-CZ 3.88Å; D603-R837 IonicContact OD1-NH1 2.89Å; D603-R837 IonicContact OD1-NH2 2.73Å; D603-R837 PolarHBondContact OD1-NH2 3.48Å; S826-R837 PolarHBondContact N-O 2.87Å; S826-R837 PolarHBondContact O-N 3.11Å; R837-E839 IonicContact CZ-OE2 2.68Å; R837-E839 IonicContact NE-OE2 2.7Å; R837-E839 PolarHBondContact NE-OE2 2.98Å; R837-E839 VanDerWaalsContact NE-OE2 3.08Å; R837-E839 IonicContact NH2-OE2 3.14Å; R837-E839 PolarHBondContact NH2-OE2 3.14Å
838	I	62.7	Low	55.3	Low	11 Å²	11	78.8 Å²	78.8	6%	0.056	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127	168.6	-54.8	-172.1	0	0	0	107.6	T823 H824 V825 T836 H867 M870	T823-I838 HydrophobicContact CG2-CG2 3.66Å; H824-I838 WeakPolarHBondContact O-CA 3.45Å; V825-I838 HydrophobicContact CG1-CG1 4.3Å; V825-I838 HydrophobicContact CG2-CD1 4.28Å; V825-I838 HydrophobicContact CG2-CG1 4.16Å; V825-I838 HydrophobicContact CG2-CG2 4.36Å; T836-I838 HydrophobicContact CG2-CG1 4.34Å; I838-H867 WeakPolarHBondContact CD1-NE2 3.49Å; I838-M870 HydrophobicContact CB-CE 4.14Å; I838-M870 HydrophobicContact CD1-CE 4.17Å; I838-M870 HydrophobicContact CD1-SD 3.72Å; I838-M870 HydrophobicContact CG1-CE 3.99Å; I838-M870 HydrophobicContact CG1-SD 4.22Å
839	E	68.3	Low	55	Low	72 Å²	72	83.7 Å²	83.7	34%	0.336	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.8	178.4	-173	166	143.5	0	0	106.9	H824 R837	H824-E839 HydrophobicContact CB-CB 4.47Å; H824-E839 PolarHBondContact N-O 3.46Å; H824-E839 PolarHBondContact O-N 2.93Å; R837-E839 IonicContact CZ-OE2 2.68Å; R837-E839 IonicContact NE-OE2 2.7Å; R837-E839 PolarHBondContact NE-OE2 2.98Å; R837-E839 VanDerWaalsContact NE-OE2 3.08Å; R837-E839 IonicContact NH2-OE2 3.14Å; R837-E839 PolarHBondContact NH2-OE2 3.14Å
840	K	66.2	Low	55.8	Low	11 Å²	11	80.2 Å²	80.2	5%	0.048	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.8	-176.5	-168.9	179.3	-177.9	-169.6	0	109.9	T822 I842 E862 A863	T822-K840 WeakPolarHBondContact O-CA 3.44Å; K840-I842 HydrophobicContact CD-CD1 4.14Å; K840-I842 HydrophobicContact CD-CG1 4.25Å; K840-I842 HydrophobicContact CG-CG1 4.16Å; K840-E862 IonicContact NZ-OE1 3.22Å; K840-E862 PolarHBondContact NZ-OE1 3.24Å; K840-E862 IonicContact NZ-OE2 2.97Å; K840-E862 PolarHBondContact NZ-OE2 2.83Å; K840-A863 HydrophobicContact CD-CB 4.39Å
841	R	66.9	Low	56.7	Low	87 Å²	87	76.2 Å²	76.2	33%	0.328	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.3	169.8	179.6	179.1	-74.5	-136.7	2	108.2	E599 E601 A821 T822 I843	E599-R841 IonicContact OE1-CZ 3.64Å; E599-R841 IonicContact OE1-NH1 2.82Å; E599-R841 PolarHBondContact OE1-NH1 3.23Å; E599-R841 IonicContact OE2-NH1 3.41Å; E599-R841 PolarHBondContact OE2-NH1 2.94Å; E601-R841 IonicContact OE1-CZ 2.68Å; E601-R841 IonicContact OE1-NE 2.67Å; E601-R841 IonicContact OE1-NH2 3.43Å; E601-R841 PolarHBondContact OE1-NH2 3.06Å; A821-R841 WeakPolarHBondContact CA-O 3.37Å; T822-R841 PolarHBondContact N-O 3.11Å; T822-R841 PolarHBondContact O-N 3.22Å; R841-I843 HydrophobicContact CG-CG1 4.3Å
842	I	64.2	Low	57.8	Low	5 Å²	5	77.8 Å²	77.8	3%	0.026	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.3	173.7	-56.2	175	0	0	0	107.2	A600 V818 A821 K840 I844 A859 E862	A600-I842 PolarHBondContact N-O 2.93Å; A600-I842 PolarHBondContact O-N 3.03Å; V818-I842 HydrophobicContact CG1-CG2 3.71Å; V818-I842 HydrophobicContact CG2-CG2 4.35Å; A821-I842 HydrophobicContact CB-CG1 4.39Å; K840-I842 HydrophobicContact CD-CD1 4.14Å; K840-I842 HydrophobicContact CD-CG1 4.25Å; K840-I842 HydrophobicContact CG-CG1 4.16Å; I842-I844 HydrophobicContact CG2-CD1 4.46Å; I842-I844 HydrophobicContact CG2-CG1 4.18Å; I842-A859 HydrophobicContact CD1-CB 3.88Å; I842-E862 WeakPolarHBondContact CD1-OE2 3.38Å
843	I	64.1	Low	58.8	Low	54 Å²	54	80.2 Å²	80.2	28%	0.277	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.7	179.6	-60.1	179	0	0	0	107.7	T819 S820 R841 T845	T819-I843 PolarHBondContact N-O 3.33Å; T819-I843 PolarHBondContact OG1-O 3.18Å; S820-I843 PolarHBondContact N-O 2.95Å; S820-I843 PolarHBondContact O-N 2.95Å; R841-I843 HydrophobicContact CG-CG1 4.3Å; I843-T845 HydrophobicContact CG2-CG2 4.23Å
844	I	64.3	Low	60.1	Low	5 Å²	5	78.1 Å²	78.1	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.4	-176.9	-68.1	170.9	0	0	0	107.5	L598 N817 V818 I842 V850 A855	L598-I844 PolarHBondContact O-N 2.94Å; N817-I844 HydrophobicContact CB-CG2 4.33Å; N817-I844 WeakPolarHBondContact O-CA 3.33Å; N817-I844 WeakPolarHBondContact O-CG2 3.28Å; V818-I844 HydrophobicContact CG2-CG1 4.32Å; I842-I844 HydrophobicContact CG2-CD1 4.46Å; I842-I844 HydrophobicContact CG2-CG1 4.18Å; I844-V850 HydrophobicContact CG2-CG1 4.16Å; I844-A855 HydrophobicContact CD1-CB 3.91Å
845	T	54.8	Low	61	Low	70 Å²	70	74.2 Å²	74.2	43%	0.429	38%	0.379	S	S	.	.			trans	-114.4	127	174.6	64.1	0	0	0	0	109.8	T819 I843	T819-T845 WeakPolarHBondContact CG2-OG1 3.25Å; T819-T845 WeakPolarHBondContact OG1-CB 3.49Å; T819-T845 PolarHBondContact OG1-N 3.1Å; T819-T845 PolarHBondContact OG1-OG1 3.12Å; I843-T845 HydrophobicContact CG2-CG2 4.23Å
846	G	54.5	Low	61.5	Low	34 Å²	34	71 Å²	71	35%	0.351	37%	0.365	S	S	.	.			trans	-148.3	153.6	169.5	0	0	0	0	0	109.3	D848	G846-D848 VanDerWaalsContact C-N 3.35Å
847	D	50	Low	62	Low	177 Å²	177	71.1 Å²	71.1	95%	0.947	37%	0.371	S	S	*	.	S	Bend	trans	-81.7	-12.5	-174.4	-70.3	-34.3	0	0	0	113.9
848	D	54.1	Low	62.1	Low	144 Å²	144	69 Å²	69	77%	0.77	37%	0.366	S	S	*	.	S	Bend	trans	-100.8	164.4	175.5	-76.6	-52.8	0	0	0	112.5	G846 V850	G846-D848 VanDerWaalsContact C-N 3.35Å; D848-V850 WeakPolarHBondContact O-CG2 3.44Å; D848-V850 PolarHBondContact O-N 3.09Å
849	D	55.8	Low	62.2	Low	157 Å²	157	68.6 Å²	68.6	84%	0.84	37%	0.365	S	S	*	.			trans	-57.1	97.6	179.9	-86.2	-51.7	0	0	0	112.7	D851	D849-D851 PolarHBondContact O-N 3.28Å
850	V	59.2	Low	62.2	Low	30 Å²	30	67.3 Å²	67.3	18%	0.182	36%	0.36	C	S	.	.			trans	-65.9	117.9	-176.6	-178	0	0	0	0	112	I844 D848 Q852 A855	I844-V850 HydrophobicContact CG2-CG1 4.16Å; D848-V850 WeakPolarHBondContact O-CG2 3.44Å; D848-V850 PolarHBondContact O-N 3.09Å; V850-Q852 PolarHBondContact O-N 3.26Å; V850-A855 HydrophobicContact CG1-CB 4.14Å
851	D	63.3	Low	62.5	Low	91 Å²	91	73.2 Å²	73.2	49%	0.487	39%	0.388	S	S	.	.			trans	-63.4	115.1	170.7	-172.9	-46.9	0	0	0	110.5	D849 E853 Q854 A855	D849-D851 PolarHBondContact O-N 3.28Å; D851-E853 PolarHBondContact OD1-N 3.42Å; D851-Q854 HydrophobicContact CB-CB 3.94Å; D851-Q854 PolarHBondContact OD1-N 3.37Å; D851-A855 WeakPolarHBondContact O-CB 3.34Å; D851-A855 PolarHBondContact O-N 3.4Å
852	Q	60.6	Low	62.5	Low	106 Å²	106	71 Å²	71	50%	0.495	38%	0.381	S	S	.	.	H	α-helix	trans	-74.7	-31.8	-172.4	-49.4	-170.5	-0.7	0	0	112.8	L598 V850 L856	L598-Q852 HydrophobicContact CD1-CG 4.06Å; L598-Q852 HydrophobicContact CD2-CB 3.62Å; L598-Q852 HydrophobicContact CD2-CG 3.58Å; L598-Q852 HydrophobicContact CG-CG 4.49Å; V850-Q852 PolarHBondContact O-N 3.26Å; Q852-L856 VanDerWaalsContact O-CB 3.28Å; Q852-L856 WeakPolarHBondContact O-CB 3.19Å; Q852-L856 PolarHBondContact O-N 2.69Å; Q852-L856 VanDerWaalsContact O-N 3.15Å
853	E	61.6	Low	62.4	Low	124 Å²	124	70.9 Å²	70.9	58%	0.579	38%	0.381	S	S	*	.	H	α-helix	trans	-80.9	-38	-176.9	-154.3	152.6	158.9	0	0	109.1	R585 D851 A857	R585-E853 IonicContact CZ-OE2 3.98Å; R585-E853 IonicContact NH2-OE1 2.74Å; R585-E853 PolarHBondContact NH2-OE1 3.05Å; R585-E853 IonicContact NH2-OE2 2.76Å; R585-E853 PolarHBondContact NH2-OE2 3.38Å; D851-E853 PolarHBondContact OD1-N 3.42Å; E853-A857 VanDerWaalsContact O-CB 3.28Å; E853-A857 WeakPolarHBondContact O-CB 3.34Å; E853-A857 PolarHBondContact O-N 3.41Å
854	Q	64.9	Low	62.6	Low	124 Å²	124	73.6 Å²	73.6	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-66.9	-46.7	170.3	-168.8	178.8	8.7	0	0	112.6	D851 L856 A857 I858	D851-Q854 HydrophobicContact CB-CB 3.94Å; D851-Q854 PolarHBondContact OD1-N 3.37Å; Q854-L856 PolarHBondContact O-N 2.95Å; Q854-A857 PolarHBondContact O-N 2.79Å; Q854-I858 HydrophobicContact CG-CD1 4.02Å; Q854-I858 WeakPolarHBondContact O-CG1 3.33Å; Q854-I858 PolarHBondContact O-N 3.09Å
855	A	64	Low	62.8	Low	5 Å²	5	79.2 Å²	79.2	4%	0.041	42%	0.417	C	S	.	.	H	α-helix	trans	-60.1	-43.8	178.6	0	0	0	0	0	112.1	I844 V850 D851 I858 A859	I844-A855 HydrophobicContact CD1-CB 3.91Å; V850-A855 HydrophobicContact CG1-CB 4.14Å; D851-A855 WeakPolarHBondContact O-CB 3.34Å; D851-A855 PolarHBondContact O-N 3.4Å; A855-I858 PolarHBondContact O-N 2.91Å; A855-A859 WeakPolarHBondContact O-CB 3.5Å; A855-A859 PolarHBondContact O-N 3.3Å
856	L	66.9	Low	62.9	Low	45 Å²	45	79.1 Å²	79.1	24%	0.236	41%	0.412	C	S	.	.	H	α-helix	trans	-66.9	-39.4	176.1	-178.9	60.1	0	0	0	112.3	A600 Q852 Q854 A859 I860 A875 V877	A600-L856 HydrophobicContact CB-CD1 4.24Å; Q852-L856 VanDerWaalsContact O-CB 3.28Å; Q852-L856 WeakPolarHBondContact O-CB 3.19Å; Q852-L856 PolarHBondContact O-N 2.69Å; Q852-L856 VanDerWaalsContact O-N 3.15Å; Q854-L856 PolarHBondContact O-N 2.95Å; L856-A859 PolarHBondContact O-N 3.44Å; L856-I860 HydrophobicContact CD1-CD1 3.92Å; L856-I860 HydrophobicContact CD1-CG1 4.24Å; L856-I860 HydrophobicContact CG-CD1 3.95Å; L856-I860 WeakPolarHBondContact O-CG1 3.34Å; L856-I860 PolarHBondContact O-N 3.22Å; L856-A875 HydrophobicContact CD1-CB 4.25Å; L856-V877 HydrophobicContact CD1-CG2 4.22Å; L856-V877 HydrophobicContact CD2-CG2 4.19Å
857	A	70.8	Confident	63.3	Low	52 Å²	52	80.3 Å²	80.3	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-61.9	-44.2	175.6	0	0	0	0	0	111.9	E853 Q854 I860 Q861	E853-A857 VanDerWaalsContact O-CB 3.28Å; E853-A857 WeakPolarHBondContact O-CB 3.34Å; E853-A857 PolarHBondContact O-N 3.41Å; Q854-A857 PolarHBondContact O-N 2.79Å; A857-I860 PolarHBondContact O-N 2.81Å; A857-Q861 VanDerWaalsContact O-CB 3.25Å; A857-Q861 WeakPolarHBondContact O-CB 3.48Å; A857-Q861 PolarHBondContact O-N 2.76Å
858	I	66	Low	63.9	Low	44 Å²	44	76.1 Å²	76.1	23%	0.226	39%	0.39	C	S	.	.	H	α-helix	trans	-60.8	-48.1	175.3	-69	166.3	0	0	0	110.6	A815 Q854 A855 I860 Q861 E862	A815-I858 HydrophobicContact CB-CD1 4.33Å; A815-I858 HydrophobicContact CB-CG2 4.3Å; Q854-I858 HydrophobicContact CG-CD1 4.02Å; Q854-I858 WeakPolarHBondContact O-CG1 3.33Å; Q854-I858 PolarHBondContact O-N 3.09Å; A855-I858 PolarHBondContact O-N 2.91Å; I858-I860 PolarHBondContact O-N 3.4Å; I858-Q861 PolarHBondContact O-N 2.85Å; I858-E862 PolarHBondContact O-N 3.05Å
859	A	66.4	Low	64	Low	3 Å²	3	76.6 Å²	76.6	3%	0.025	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-44.2	179.1	0	0	0	0	0	112.8	A600 I842 A855 L856 A863	A600-A859 HydrophobicContact CB-CB 4.34Å; I842-A859 HydrophobicContact CD1-CB 3.88Å; A855-A859 WeakPolarHBondContact O-CB 3.5Å; A855-A859 PolarHBondContact O-N 3.3Å; L856-A859 PolarHBondContact O-N 3.44Å; A859-A863 WeakPolarHBondContact O-CB 3.39Å; A859-A863 PolarHBondContact O-N 2.62Å
860	I	68.6	Low	64.1	Low	46 Å²	46	70.5 Å²	70.5	24%	0.236	36%	0.359	C	S	.	.	H	α-helix	trans	-67.8	-40.9	176.3	-69.8	170.2	0	0	0	111.1	V602 L856 A857 I858 K864 V872	V602-I860 HydrophobicContact CG2-CG1 4.38Å; L856-I860 HydrophobicContact CD1-CD1 3.92Å; L856-I860 HydrophobicContact CD1-CG1 4.24Å; L856-I860 HydrophobicContact CG-CD1 3.95Å; L856-I860 WeakPolarHBondContact O-CG1 3.34Å; L856-I860 PolarHBondContact O-N 3.22Å; A857-I860 PolarHBondContact O-N 2.81Å; I858-I860 PolarHBondContact O-N 3.4Å; I860-K864 HydrophobicContact CG2-CD 3.98Å; I860-K864 HydrophobicContact CG2-CG 4.49Å; I860-K864 WeakPolarHBondContact O-CB 3.08Å; I860-K864 WeakPolarHBondContact O-CG 3.38Å; I860-K864 PolarHBondContact O-N 3.45Å; I860-V872 HydrophobicContact CG2-CG2 4.11Å
861	Q	71.5	Confident	64.1	Low	135 Å²	135	76.3 Å²	76.3	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-65.6	-43.4	179.5	-179.2	173	-23.7	0	0	112.1	A857 I858 K864 Q865	A857-Q861 VanDerWaalsContact O-CB 3.25Å; A857-Q861 WeakPolarHBondContact O-CB 3.48Å; A857-Q861 PolarHBondContact O-N 2.76Å; I858-Q861 PolarHBondContact O-N 2.85Å; Q861-K864 PolarHBondContact O-N 3.46Å; Q861-Q865 WeakPolarHBondContact O-CB 3.4Å; Q861-Q865 PolarHBondContact O-N 2.89Å
862	E	65.9	Low	63.9	Low	39 Å²	39	74.4 Å²	74.4	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-42.8	177.7	-161.2	-142.2	146.2	0	0	111.3	K840 I842 I858 Q865 Q866	K840-E862 IonicContact NZ-OE1 3.22Å; K840-E862 PolarHBondContact NZ-OE1 3.24Å; K840-E862 IonicContact NZ-OE2 2.97Å; K840-E862 PolarHBondContact NZ-OE2 2.83Å; I842-E862 WeakPolarHBondContact CD1-OE2 3.38Å; I858-E862 PolarHBondContact O-N 3.05Å; E862-Q865 PolarHBondContact O-N 2.72Å; E862-Q866 PolarHBondContact O-N 3.42Å; E862-Q866 PolarHBondContact OE1-NE2 2.86Å
863	A	64	Low	63.7	Low	4 Å²	4	72.9 Å²	72.9	3%	0.033	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-43	175.8	0	0	0	0	0	112.2	F604 K840 A859 Q865 Q866 H867	F604-A863 HydrophobicContact CE2-CB 4.1Å; F604-A863 HydrophobicContact CZ-CB 3.58Å; K840-A863 HydrophobicContact CD-CB 4.39Å; A859-A863 WeakPolarHBondContact O-CB 3.39Å; A859-A863 PolarHBondContact O-N 2.62Å; A863-Q865 VanDerWaalsContact C-N 3.33Å; A863-Q865 PolarHBondContact O-N 3.15Å; A863-Q866 PolarHBondContact O-N 2.86Å; A863-H867 PolarHBondContact O-N 3.37Å
864	K	67.3	Low	63.5	Low	111 Å²	111	71 Å²	71	48%	0.483	36%	0.364	S	S	.	.	H	α-helix	trans	-71.4	-23.8	175.3	-69.1	-178.9	72.4	178.2	0	113.4	I860 Q861 H867 P868 V872	I860-K864 HydrophobicContact CG2-CD 3.98Å; I860-K864 HydrophobicContact CG2-CG 4.49Å; I860-K864 WeakPolarHBondContact O-CB 3.08Å; I860-K864 WeakPolarHBondContact O-CG 3.38Å; I860-K864 PolarHBondContact O-N 3.45Å; Q861-K864 PolarHBondContact O-N 3.46Å; K864-H867 CarbonylContact O-C 3.58Å; K864-P868 WeakPolarHBondContact O-CA 3.29Å; K864-V872 HydrophobicContact CD-CG2 4.29Å; K864-V872 HydrophobicContact CG-CG2 4.43Å
865	Q	69	Low	63.3	Low	123 Å²	123	67.5 Å²	67.5	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-73.3	-35.3	171.8	-177.6	173.3	85.3	0	0	111.8	Q861 E862 A863	Q861-Q865 WeakPolarHBondContact O-CB 3.4Å; Q861-Q865 PolarHBondContact O-N 2.89Å; E862-Q865 PolarHBondContact O-N 2.72Å; A863-Q865 VanDerWaalsContact C-N 3.33Å; A863-Q865 PolarHBondContact O-N 3.15Å
866	Q	56	Low	62.9	Low	68 Å²	68	69.4 Å²	69.4	32%	0.318	37%	0.368	S	S	.	.	H	α-helix	trans	-78.7	-31.3	177	-73.2	162.3	-0.4	0	0	112.6	E862 A863	E862-Q866 PolarHBondContact O-N 3.42Å; E862-Q866 PolarHBondContact OE1-NE2 2.86Å; A863-Q866 PolarHBondContact O-N 2.86Å
867	H	63.2	Low	62.5	Low	59 Å²	59	70.2 Å²	70.2	27%	0.273	37%	0.374	S	S	.	.			trans	-133.5	72.7	-178.7	-57.6	-47.1	0	0	0	111.4	I838 A863 K864 D869 M870	I838-H867 WeakPolarHBondContact CD1-NE2 3.49Å; A863-H867 PolarHBondContact O-N 3.37Å; K864-H867 CarbonylContact O-C 3.58Å; H867-D869 VanDerWaalsContact C-N 3.28Å; H867-D869 PolarHBondContact O-N 3.09Å; H867-M870 HydrophobicContact CB-CB 4.17Å; H867-M870 HydrophobicContact CB-CG 4.03Å; H867-M870 HydrophobicContact CB-SD 3.76Å; H867-M870 PolarHBondContact O-N 3.14Å
868	P	63.4	Low	61.6	Low	89 Å²	89	70.5 Å²	70.5	58%	0.578	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-28.7	-172.8	25.5	-35.2	0	0	0	114.1	K864 M870	K864-P868 WeakPolarHBondContact O-CA 3.29Å; P868-M870 VanDerWaalsContact C-N 3.27Å; P868-M870 PolarHBondContact O-N 2.99Å
869	D	56.1	Low	61.1	Low	154 Å²	154	74.5 Å²	74.5	82%	0.824	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	4.6	-177.8	-48.1	-62.4	0	0	0	113.5	H867	H867-D869 VanDerWaalsContact C-N 3.28Å; H867-D869 PolarHBondContact O-N 3.09Å
870	M	57.9	Low	60.1	Low	28 Å²	28	80.4 Å²	80.4	14%	0.138	41%	0.407	C	S	.	.			trans	-110.1	140.2	-174.4	-64.3	-173.1	66.4	0	0	113.2	F604 V606 I838 H867 P868	F604-M870 HydrophobicContact CB-CE 3.98Å; F604-M870 HydrophobicContact CD1-CB 4.28Å; V606-M870 HydrophobicContact CG2-CB 4.26Å; V606-M870 HydrophobicContact CG2-CE 3.88Å; V606-M870 HydrophobicContact CG2-CG 3.88Å; I838-M870 HydrophobicContact CB-CE 4.14Å; I838-M870 HydrophobicContact CD1-CE 4.17Å; I838-M870 HydrophobicContact CD1-SD 3.72Å; I838-M870 HydrophobicContact CG1-CE 3.99Å; I838-M870 HydrophobicContact CG1-SD 4.22Å; H867-M870 HydrophobicContact CB-CB 4.17Å; H867-M870 HydrophobicContact CB-CG 4.03Å; H867-M870 HydrophobicContact CB-SD 3.76Å; H867-M870 PolarHBondContact O-N 3.14Å; P868-M870 VanDerWaalsContact C-N 3.27Å; P868-M870 PolarHBondContact O-N 2.99Å
871	Q	58.2	Low	58.9	Low	152 Å²	152	81.8 Å²	81.8	71%	0.71	42%	0.418	S	S	*	.			trans	-94.3	133.3	176.5	-60.7	-171.8	22	0	0	111.7	F604 T873	F604-Q871 WeakPolarHBondContact CD1-O 3.36Å; Q871-T873 PolarHBondContact O-N 3.42Å
872	V	59.2	Low	57.2	Low	52 Å²	52	84.3 Å²	84.3	32%	0.315	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125.4	167.4	178.8	0	0	0	0	108.1	V602 F604 I860 K864	V602-V872 HydrophobicContact CG1-CG1 3.66Å; V602-V872 HydrophobicContact CG1-CG2 4.44Å; F604-V872 HydrophobicContact CD1-CG2 4.21Å; F604-V872 HydrophobicContact CE1-CB 4.18Å; F604-V872 HydrophobicContact CE1-CG2 3.42Å; F604-V872 VanDerWaalsContact CE1-CG2 3.42Å; F604-V872 HydrophobicContact CZ-CG2 3.75Å; I860-V872 HydrophobicContact CG2-CG2 4.11Å; K864-V872 HydrophobicContact CD-CG2 4.29Å; K864-V872 HydrophobicContact CG-CG2 4.43Å
873	T	56	Low	55.7	Low	73 Å²	73	88.4 Å²	88.4	45%	0.448	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-18.5	-179.3	57.2	0	0	0	0	114.1	D603 T605 Q871	D603-T873 PolarHBondContact O-N 3.47Å; D603-T873 PolarHBondContact O-OG1 3.28Å; T605-T873 PolarHBondContact N-OG1 2.83Å; T605-T873 PolarHBondContact OG1-OG1 3.45Å; Q871-T873 PolarHBondContact O-N 3.42Å
874	K	59.1	Low	54.3	Low	85 Å²	85	93.7 Å²	93.7	37%	0.37	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.8	165.2	139.9	-178.4	169.5	-58	0	110.1	V602 D603 V876	V602-K874 CarbonylContact C-O 3.56Å; V602-K874 WeakPolarHBondContact CA-O 3.34Å; V602-K874 WeakPolarHBondContact CG1-O 3.47Å; D603-K874 HydrophobicContact CB-CB 3.9Å; D603-K874 HydrophobicContact CB-CD 4.4Å; D603-K874 HydrophobicContact CB-CG 4.07Å; D603-K874 PolarHBondContact N-O 2.96Å; D603-K874 PolarHBondContact O-N 2.92Å; D603-K874 WeakPolarHBondContact OD2-CD 3.39Å; D603-K874 VanDerWaalsContact OD2-CE 3.28Å; D603-K874 WeakPolarHBondContact OD2-CE 3.35Å; D603-K874 IonicContact OD2-NZ 2.64Å; D603-K874 PolarHBondContact OD2-NZ 3.08Å; K874-V876 HydrophobicContact CD-CG2 4.14Å; K874-V876 HydrophobicContact CG-CG2 3.99Å; K874-V876 VanDerWaalsContact NZ-CG2 3.34Å
875	A	60.5	Low	53.1	Low	50 Å²	50	93.8 Å²	93.8	41%	0.413	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	144.6	165.4	0	0	0	0	0	109.4	E601 V602 L856	E601-A875 CarbonylContact O-C 3.48Å; V602-A875 HydrophobicContact CG2-CB 4.28Å; L856-A875 HydrophobicContact CD1-CB 4.25Å
876	V	54.9	Low	51.8	Low	46 Å²	46	96.7 Å²	96.7	28%	0.279	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146	178	179.3	0	0	0	0	107.3	A600 E601 K874 I878	A600-V876 CarbonylContact C-O 3.59Å; A600-V876 WeakPolarHBondContact CA-O 3.44Å; E601-V876 HydrophobicContact CB-CB 4.04Å; E601-V876 PolarHBondContact N-O 3.36Å; E601-V876 PolarHBondContact O-N 3.12Å; K874-V876 HydrophobicContact CD-CG2 4.14Å; K874-V876 HydrophobicContact CG-CG2 3.99Å; K874-V876 VanDerWaalsContact NZ-CG2 3.34Å; V876-I878 HydrophobicContact CG1-CD1 4.44Å; V876-I878 HydrophobicContact CG1-CG1 3.94Å
877	V	59	Low	51.1	Low	62 Å²	62	102.7 Å²	102.7	38%	0.376	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.3	130.7	171.4	176.8	0	0	0	0	107.7	L598 E599 L856	L598-V877 HydrophobicContact CD2-CG1 3.58Å; L598-V877 HydrophobicContact CG-CG1 3.78Å; E599-V877 CarbonylContact O-C 3.55Å; E599-V877 VanDerWaalsContact O-CA 3.29Å; E599-V877 WeakPolarHBondContact O-CA 3.21Å; E599-V877 WeakPolarHBondContact O-CG1 3.37Å; L856-V877 HydrophobicContact CD1-CG2 4.22Å; L856-V877 HydrophobicContact CD2-CG2 4.19Å
878	I	51.5	Low	50.2	Low	57 Å²	57	111 Å²	111	29%	0.292	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.4	143.2	-179.8	-52	177.8	0	0	0	107.2	E599 V876 E880	E599-I878 HydrophobicContact CB-CB 4.18Å; E599-I878 PolarHBondContact N-O 2.87Å; E599-I878 PolarHBondContact O-N 3.39Å; V876-I878 HydrophobicContact CG1-CD1 4.44Å; V876-I878 HydrophobicContact CG1-CG1 3.94Å; I878-E880 HydrophobicContact CG2-CG 4.41Å
879	R	55.6	Low	49.2	Very low	128 Å²	128	116.6 Å²	116.6	48%	0.483	61%	0.607	S	S	.	*			trans	-124.5	110.3	176.8	-179.2	-168.4	178.3	137.4	-4.9	107.9	T595 S597	T595-R879 PolarHBondContact O-NH2 3Å; S597-R879 WeakPolarHBondContact O-CG 2.98Å
880	E	45.6	Very low	48.1	Very low	128 Å²	128	112.4 Å²	112.4	60%	0.598	60%	0.599	S	S	*	*			trans	-95.3	156.7	170.2	-58.4	-153.8	140.8	0	0	110.1	S597 I878	S597-E880 PolarHBondContact OG-O 2.85Å; I878-E880 HydrophobicContact CG2-CG 4.41Å
881	T	43.3	Very low	47	Very low	74 Å²	74	117.9 Å²	117.9	45%	0.454	64%	0.635	S	S	.	*			trans	-159.5	115.2	179.2	-44.4	0	0	0	0	109.3	T595	T595-T881 WeakPolarHBondContact O-CG2 3.24Å
882	E	36.2	Very low	45.8	Very low	188 Å²	188	120.8 Å²	120.8	88%	0.879	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-88.4	144.4	175.5	-69.9	-157	125	0	0	112.1
883	P	34.1	Very low	45.1	Very low	126 Å²	126	124.2 Å²	124.2	82%	0.818	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-80.4	121.6	174.7	31.6	-32.4	0	0	0	111.4
884	S	34.2	Very low	44.6	Very low	115 Å²	115	126.9 Å²	126.9	80%	0.804	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-68.1	143.2	178.1	57.7	0	0	0	0	112.7	E886	S884-E886 VanDerWaalsContact C-N 3.33Å; S884-E886 PolarHBondContact O-N 3.48Å
885	A	42	Very low	43.8	Very low	113 Å²	113	129.2 Å²	129.2	93%	0.934	71%	0.71	S	S	*	*	S	Bend	trans	-92.3	37.5	-170.8	0	0	0	0	0	114
886	E	42.6	Very low	42.8	Very low	183 Å²	183	133.9 Å²	133.9	86%	0.855	73%	0.728	S	S	*	*			trans	-134.2	57.7	-162.5	-153.2	158.9	-124.4	0	0	115.2	S884	S884-E886 VanDerWaalsContact C-N 3.33Å; S884-E886 PolarHBondContact O-N 3.48Å
887	E	39.5	Very low	42	Very low	195 Å²	195	139.4 Å²	139.4	91%	0.911	76%	0.756	S	S	*	*			trans	-127.7	65.4	161.8	-156.4	174.9	-133.1	0	0	111.5
888	R	44.4	Very low	40.9	Very low	232 Å²	232	144.5 Å²	144.5	88%	0.875	78%	0.781	S	S	*	*			trans	-143	55.9	170.6	-77.1	-163.1	-177.2	177.4	4.2	113.2
889	H	44	Very low	40.1	Very low	208 Å²	208	150.8 Å²	150.8	96%	0.963	82%	0.816	S	S	*	*			trans	-165.8	107.9	150.7	-90.7	-53.9	0	0	0	110.2
890	G	33.1	Very low	38.9	Very low	65 Å²	65	152.5 Å²	152.5	67%	0.67	84%	0.842	S	S	*	*			trans	166	98.7	177.1	0	0	0	0	0	112.8
891	T	34.8	Very low	38.4	Very low	143 Å²	143	154.6 Å²	154.6	88%	0.877	86%	0.862	S	S	*	*			trans	64.7	127.4	-171.5	73.9	0	0	0	0	114.5
892	T	32.6	Very low	38	Very low	213 Å²	213	161.9 Å²	161.9	100%	1.307	90%	0.899	S	S	*	*			cis	-71.5	0	-10.3	55.4	0	0	0	0	112.1

Retrieved 892 of 892 residues in 1256.4 ms (Link to these results)

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