A0A077YUP8_TRITR Loading...

DNA mismatch repair protein Msh6

AlphaFold DB , UniProt , Accession A0A077YUP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 944 aa.

						>A0A077YUP8_TRITR|A0A077YUP8
MQSDARQTSLLSFFGSTAANPPSPNPSVDRKKSSTSFILKCNDNGDSTPAFRHLGFDFLRPENIMDVERRRADDPEYDGHTLYVPPSFLKSQTPGHRQWWQMKAANFDTILFFKVGKFYELYHMDAVIAAKCLNLTYMKGDYAHCGFPESALNRFADRLIERGYKVARVEQTETPEAMEKRAQKATKDRVVRREICRIVTRATKMYSYLEGDEETADAFYLTAICERLSEFDDDASLSRLRTIFATFPPAQILFPRGKLSPEVMAMFKQSLVNIPREGLLPKTQFCSSSDTLRSLAKGGYFGDTNDGRVNWPLTLENLLDKSDLFGTTASLDHTLCLSSFGAIIWYLKECKIDHDILELKKINLYEPPDISRSDQSSAIPLQKKYMIMDEITLRNLDVVRLPYTDPLYTTLSDELDLCLTLFLGKRLLRFWLCNPLYDIQAIVERQKAVDDLIKLPEFLDYTCTRLQAIPDLERLLQKMHSLAIKAPGTDHPECRAVFFEVDKYNKRKLTDFLALIKGFDTAKHIYDIISPRSSLLLGLLGQGSFPDIEADLLFFQTSFDHEKAANDGVIIPNKGVDRELDSVDDAIKRINKDLDEYLIFARKKLHCSNAKYVGSGRNRFLLEVPEDKCENVKNEFELRSRRKGFVRFSTPKLDQLLEELTQTEAKREGVLKDIMRRLFADFCSRGEKWYRIVESISKLDVLQSFAQYARNCPHTICKPVFASSRTVNGHRTFLLVLKIADVGPVLLLTGANMGGKSTLMRQVGTLIIMAHLGAHVPAESFILTPVDRMFTRIGARDSFLTGQSTLYLELSETSTILRHCSANSFAIVDELGRGTSTHDGTAIASATLKYLAERIRCRTIFSTHYHNLVQQFNDHHLVQLGHMACAVENEGLDDPVEESVTFLYKLAPGPCPKSYGFNAAKLAGHQVRCTPLTRHVRCCSSLYK
					

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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	27	Very low	27.1	Very low	243 Å²	243	124.9 Å²	124.9	100%	1.197	65%	0.652	S	S	*	*				0	59.4	0	-68.3	178.7	83.6	0	0	110.2
2	Q	25.5	Very low	28	Very low	202 Å²	202	123 Å²	123	94%	0.944	66%	0.657	S	S	*	*			trans	-136.5	92.8	174.4	-85.9	-179.5	-17.2	0	0	107
3	S	22.2	Very low	28.7	Very low	98 Å²	98	120.2 Å²	120.2	69%	0.685	64%	0.636	S	S	*	*			trans	-93.4	142.2	157.3	55.1	0	0	0	0	107.9
4	D	24.2	Very low	29.2	Very low	154 Å²	154	116.5 Å²	116.5	82%	0.824	61%	0.612	S	S	*	*			trans	122.2	129.5	145.4	-61.5	-36.8	0	0	0	119.1
5	A	25.5	Very low	29	Very low	78 Å²	78	113.1 Å²	113.1	65%	0.645	62%	0.617	S	S	*	*			trans	81.7	58.9	156.3	0	0	0	0	0	119.5	Q7	A5-Q7 PolarHBondContact O-N 2.6Å
6	R	22.8	Very low	28.7	Very low	242 Å²	242	112.7 Å²	112.7	91%	0.913	62%	0.624	S	S	*	*			trans	-83.1	86.3	144.4	-77	-172.6	-177.8	-177.7	1.2	109.7	T8	R6-T8 PolarHBondContact O-N 3.5Å
7	Q	26.2	Very low	28.7	Very low	125 Å²	125	112.6 Å²	112.6	58%	0.584	63%	0.628	S	S	*	*			trans	-77.5	93.2	158.9	-86	179.1	-26.7	0	0	108.1	A5	A5-Q7 PolarHBondContact O-N 2.6Å
8	T	27.1	Very low	28.5	Very low	95 Å²	95	112.2 Å²	112.2	58%	0.583	64%	0.641	S	S	*	*			trans	-107.7	96.2	165.2	16.5	0	0	0	0	107.2	R6	R6-T8 PolarHBondContact O-N 3.5Å
9	S	30.7	Very low	28.3	Very low	48 Å²	48	111.2 Å²	111.2	34%	0.336	65%	0.648	S	S	.	*			trans	-73.5	-179	162.7	68.8	0	0	0	0	109.5	L11	S9-L11 PolarHBondContact O-N 2.81Å
10	L	34.9	Very low	28.2	Very low	41 Å²	41	113.5 Å²	113.5	22%	0.215	66%	0.658	C	S	.	*	G	3₁₀ helix	trans	-37.4	3.8	170.2	-84.5	154.2	0	0	0	118.8	S12 F13 Q762 P777	L10-S12 PolarHBondContact O-N 3.1Å; L10-F13 WeakPolarHBondContact O-CB 3.14Å; L10-F13 PolarHBondContact O-N 2.78Å; L10-F13 VanDerWaalsContact O-N 3.1Å; L10-Q762 HydrophobicContact CD1-CG 4.15Å; L10-P777 HydrophobicContact CD1-CG 3.67Å; L10-P777 HydrophobicContact CG-CG 4.48Å
11	L	32.4	Very low	28	Very low	48 Å²	48	113.6 Å²	113.6	25%	0.251	66%	0.662	S	S	.	*	G	3₁₀ helix	trans	-56.8	-22.1	174.3	-75.9	162.4	0	0	0	114.7	S9 F13 G15 T758 Y904	S9-L11 PolarHBondContact O-N 2.81Å; L11-F13 PolarHBondContact O-N 3.42Å; L11-G15 PolarHBondContact O-N 3.25Å; L11-T758 HydrophobicContact CD2-CG2 4.14Å; L11-Y904 HydrophobicContact CD1-CG 4.36Å; L11-Y904 HydrophobicContact CD2-CD1 4.13Å; L11-Y904 HydrophobicContact CD2-CG 4.21Å
12	S	37.9	Very low	27.8	Very low	102 Å²	102	107.7 Å²	107.7	71%	0.713	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-65.5	-22	174.1	55.1	0	0	0	0	112.8	L10	L10-S12 PolarHBondContact O-N 3.1Å
13	F	37	Very low	27.8	Very low	87 Å²	87	103 Å²	103	38%	0.382	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-30	-175.2	-136.5	-95.3	0	0	0	113.5	L10 L11 T409	L10-F13 WeakPolarHBondContact O-CB 3.14Å; L10-F13 PolarHBondContact O-N 2.78Å; L10-F13 VanDerWaalsContact O-N 3.1Å; L11-F13 PolarHBondContact O-N 3.42Å; F13-T409 WeakPolarHBondContact CE1-OG1 3.49Å; F13-T409 HydrophobicContact CZ-CG2 4.37Å; F13-T409 WeakPolarHBondContact CZ-OG1 3.18Å
14	F	35.1	Very low	27.9	Very low	68 Å²	68	104.1 Å²	104.1	30%	0.298	64%	0.636	S	S	.	*	S	Bend	trans	-102.2	5.8	-177.4	-67.1	-78.3	0	0	0	113.7	T758 R761	F14-T758 HydrophobicContact CB-CG2 3.57Å; F14-T758 HydrophobicContact CD2-CG2 3.62Å; F14-T758 HydrophobicContact CG-CG2 3.73Å; F14-R761 HydrophobicContact CZ-CB 4.38Å
15	G	26.3	Very low	27.9	Very low	66 Å²	66	103.6 Å²	103.6	68%	0.68	63%	0.634	S	S	*	*			trans	-90.3	1.2	-168.1	0	0	0	0	0	117.3	L11	L11-G15 PolarHBondContact O-N 3.25Å
16	S	25.1	Very low	27.9	Very low	106 Å²	106	106 Å²	106	74%	0.741	64%	0.642	S	S	*	*			trans	-122.8	101.9	177.5	114.9	0	0	0	0	109.7
17	T	28.6	Very low	28	Very low	112 Å²	112	99.2 Å²	99.2	69%	0.687	63%	0.632	S	S	*	*			trans	-179.1	81.4	156.4	30.5	0	0	0	0	110.3
18	A	24.7	Very low	27.9	Very low	105 Å²	105	99.5 Å²	99.5	87%	0.868	64%	0.642	S	S	*	*			trans	-137.6	63.4	153.7	0	0	0	0	0	107.4
19	A	25.3	Very low	27.8	Very low	92 Å²	92	102.7 Å²	102.7	76%	0.76	66%	0.656	S	S	*	*	S	Bend	trans	-130.5	123.9	167.9	0	0	0	0	0	107.2
20	N	24.8	Very low	27.5	Very low	158 Å²	158	111.7 Å²	111.7	85%	0.845	68%	0.682	S	S	*	*			trans	-43.8	137.2	-177.8	-70.6	-43	0	0	0	111.9
21	P	25.1	Very low	27	Very low	115 Å²	115	118.7 Å²	118.7	75%	0.747	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-63.3	135.7	168.7	27.9	-30.4	0	0	0	108.2	S23	P21-S23 PolarHBondContact O-N 3.37Å
22	P	23.5	Very low	26.7	Very low	119 Å²	119	123 Å²	123	77%	0.773	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-63.7	133.6	168.2	28.6	-30.5	0	0	0	107.5
23	S	23.7	Very low	26	Very low	104 Å²	104	122.4 Å²	122.4	73%	0.727	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-46.5	126.6	170.6	35	0	0	0	0	110.2	P21 N25	P21-S23 PolarHBondContact O-N 3.37Å; S23-N25 PolarHBondContact O-N 3.3Å
24	P	25.9	Very low	25.6	Very low	121 Å²	121	122.8 Å²	122.8	79%	0.786	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-72.8	117.1	174.2	28.2	-28.1	0	0	0	107.6
25	N	23.8	Very low	25.3	Very low	144 Å²	144	124 Å²	124	77%	0.77	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-48	125.3	169.1	-90.3	-23.5	0	0	0	110.2	S23 S27	S23-N25 PolarHBondContact O-N 3.3Å; N25-S27 PolarHBondContact O-N 3.49Å
26	P	24.3	Very low	25.4	Very low	127 Å²	127	124.7 Å²	124.7	83%	0.825	75%	0.745	S	S	*	*	S	Bend	trans	-87	81.4	174.3	34.3	-29.3	0	0	0	108.8
27	S	25.4	Very low	25.8	Very low	100 Å²	100	123 Å²	123	70%	0.699	72%	0.724	S	S	*	*			trans	-158.6	61.3	166.6	67.3	0	0	0	0	111.9	N25	N25-S27 PolarHBondContact O-N 3.49Å
28	V	24.1	Very low	25.8	Very low	132 Å²	132	120.5 Å²	120.5	80%	0.8	71%	0.706	S	S	*	*	S	Bend	trans	-127.9	113.8	153.7	180	0	0	0	0	105.1	R30	V28-R30 PolarHBondContact O-N 3.24Å
29	D	26	Very low	26	Very low	162 Å²	162	119.4 Å²	119.4	87%	0.866	69%	0.685	S	S	*	*			trans	-48.5	102.2	-175.5	-94	-49.4	0	0	0	111.7	K31	D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 3.49Å; D29-K31 VanDerWaalsContact O-N 3.08Å
30	R	24.4	Very low	26	Very low	237 Å²	237	122.9 Å²	122.9	89%	0.894	68%	0.683	S	S	*	*			trans	-79.8	82.5	172.9	-71.9	179	177.3	-179.4	-1	107.9	V28	V28-R30 PolarHBondContact O-N 3.24Å
31	K	24.3	Very low	26.1	Very low	188 Å²	188	118.9 Å²	118.9	82%	0.817	67%	0.667	S	S	*	*			trans	-163.5	118.6	158.6	-106.4	156.8	-166	-177.3	0	111.9	D29	D29-K31 VanDerWaalsContact C-N 3.33Å; D29-K31 PolarHBondContact O-N 3.49Å; D29-K31 VanDerWaalsContact O-N 3.08Å
32	K	25.5	Very low	26.1	Very low	137 Å²	137	118.8 Å²	118.8	60%	0.596	66%	0.66	S	S	*	*			trans	90.1	94.4	161.8	-55.5	-173.9	176.1	-166.3	0	117.2
33	S	23.8	Very low	26.3	Very low	91 Å²	91	119.5 Å²	119.5	64%	0.636	66%	0.657	S	S	*	*	S	Bend	trans	-110.1	82.7	148.5	77.9	0	0	0	0	109
34	S	27.7	Very low	26.5	Very low	95 Å²	95	122 Å²	122	66%	0.664	66%	0.662	S	S	*	*	S	Bend	trans	169.4	111.2	160.9	53.2	0	0	0	0	102.8
35	T	29.2	Very low	26.7	Very low	92 Å²	92	120.7 Å²	120.7	56%	0.564	67%	0.67	S	S	*	*	S	Bend	trans	83.4	18.1	-171.4	82	0	0	0	0	119	F37 A72	T35-F37 VanDerWaalsContact C-N 3.26Å; T35-F37 PolarHBondContact O-N 2.89Å; T35-F37 VanDerWaalsContact O-N 3.11Å; T35-A72 HydrophobicContact CG2-CB 4.44Å
36	S	27.6	Very low	27.2	Very low	82 Å²	82	120.7 Å²	120.7	57%	0.573	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	53.8	173.8	68.4	0	0	0	0	112.9
37	F	34	Very low	27.9	Very low	71 Å²	71	120.2 Å²	120.2	31%	0.311	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.1	-6	164	-104.4	-84.9	0	0	0	112.7	T35 F107 D108	T35-F37 VanDerWaalsContact C-N 3.26Å; T35-F37 PolarHBondContact O-N 2.89Å; T35-F37 VanDerWaalsContact O-N 3.11Å; F37-F107 HydrophobicContact CB-CE1 4.06Å; F37-F107 HydrophobicContact CB-CZ 4.43Å; F37-F107 WeakPolarHBondContact CD1-O 3.47Å; F37-D108 HydrophobicContact CD2-CB 4.21Å; F37-D108 VanDerWaalsContact CE2-CA 3.4Å; F37-D108 HydrophobicContact CE2-CB 3.68Å; F37-D108 HydrophobicContact CZ-CB 4.06Å; F37-D108 WeakPolarHBondContact CZ-O 3.44Å
38	I	29.4	Very low	29.2	Very low	59 Å²	59	120.3 Å²	120.3	30%	0.303	67%	0.667	S	S	.	*	S	Bend	trans	-110.8	112.7	-179.7	-46.1	176.3	0	0	0	107.8	K40 P61 I64	I38-K40 PolarHBondContact O-N 2.89Å; I38-P61 VanDerWaalsContact CD1-CA 3.48Å; I38-P61 HydrophobicContact CD1-CB 3.89Å; I38-P61 HydrophobicContact CD1-CG 4.35Å; I38-P61 HydrophobicContact CG2-CG 3.95Å; I38-I64 HydrophobicContact CD1-CD1 3.25Å; I38-I64 HydrophobicContact CD1-CG1 3.73Å; I38-I64 HydrophobicContact CG1-CD1 3.8Å
39	L	29.1	Very low	30.9	Very low	81 Å²	81	117.1 Å²	117.1	42%	0.424	65%	0.649	S	S	.	*			trans	-42.1	105	164.9	-82.5	139.1	0	0	0	109.5	C41 V127	L39-C41 PolarHBondContact O-N 3.43Å; L39-C41 VanDerWaalsContact O-N 3.12Å; L39-V127 HydrophobicContact CD1-CB 4.3Å; L39-V127 HydrophobicContact CD1-CG1 3.68Å; L39-V127 HydrophobicContact CD2-CG1 4.47Å
40	K	24.8	Very low	33.3	Very low	166 Å²	166	114.3 Å²	114.3	72%	0.722	65%	0.648	S	S	*	*			trans	-71.3	91.1	143.2	-83.2	-169.4	169.2	-161.8	0	105.9	I38 N42	I38-K40 PolarHBondContact O-N 2.89Å; K40-N42 PolarHBondContact O-N 3.21Å
41	C	26.2	Very low	36.4	Very low	74 Å²	74	104.3 Å²	104.3	50%	0.5	61%	0.611	S	S	.	*			trans	-65.5	92.6	155.6	-68	0	0	0	0	106.5	L39	L39-C41 PolarHBondContact O-N 3.43Å; L39-C41 VanDerWaalsContact O-N 3.12Å
42	N	25.6	Very low	39.4	Very low	112 Å²	112	101.6 Å²	101.6	60%	0.599	60%	0.596	S	S	*	*			trans	-120.9	123.7	163.4	-105.5	59.4	0	0	0	109	K40	K40-N42 PolarHBondContact O-N 3.21Å
43	D	27.9	Very low	42.5	Very low	134 Å²	134	95.5 Å²	95.5	72%	0.717	57%	0.569	S	S	*	*	S	Bend	trans	64.1	54.3	141.2	-50.7	-29.1	0	0	0	119.4
44	N	27.5	Very low	45.6	Very low	157 Å²	157	95.8 Å²	95.8	84%	0.84	56%	0.563	S	S	*	*			trans	-134.3	128.8	141.8	-83.4	-40	0	0	0	108.3	D46	N44-D46 PolarHBondContact O-N 3.22Å
45	G	30.7	Very low	48.6	Very low	93 Å²	93	93.9 Å²	93.9	96%	0.959	56%	0.558	S	S	*	*			trans	-64.5	40.9	-164.3	0	0	0	0	0	118.6
46	D	33.4	Very low	51.6	Low	145 Å²	145	91 Å²	91	78%	0.775	54%	0.538	S	S	*	.	S	Bend	trans	-95.7	126.3	163.7	-91	-27.1	0	0	0	109.8	N44 T48	N44-D46 PolarHBondContact O-N 3.22Å; D46-T48 VanDerWaalsContact C-N 3.32Å; D46-T48 PolarHBondContact O-N 3.18Å
47	S	40.3	Very low	54.7	Low	116 Å²	116	91.6 Å²	91.6	81%	0.811	54%	0.535	S	S	*	.			trans	-58.8	91.6	173.5	45.9	0	0	0	0	109.9	P49	S47-P49 WeakPolarHBondContact O-CD 3.4Å
48	T	51.4	Low	57.6	Low	102 Å²	102	89.3 Å²	89.3	63%	0.626	53%	0.525	S	S	*	.			trans	-62.3	123.6	174.4	26	0	0	0	0	108	D46 A50	D46-T48 VanDerWaalsContact C-N 3.32Å; D46-T48 PolarHBondContact O-N 3.18Å; T48-A50 PolarHBondContact O-N 3.16Å
49	P	60.5	Low	60.7	Low	66 Å²	66	87.4 Å²	87.4	43%	0.429	52%	0.515	S	S	.	.			trans	-57.5	130.1	-179.7	-19.9	29	0	0	0	109.3	S47 F51	S47-P49 WeakPolarHBondContact O-CD 3.4Å; P49-F51 HydrophobicContact CB-CD1 4.16Å; P49-F51 HydrophobicContact CB-CD2 4.41Å; P49-F51 HydrophobicContact CB-CE1 3.7Å; P49-F51 HydrophobicContact CB-CE2 3.97Å; P49-F51 HydrophobicContact CB-CZ 3.6Å; P49-F51 HydrophobicContact CG-CE1 4.16Å; P49-F51 HydrophobicContact CG-CE2 4.08Å; P49-F51 HydrophobicContact CG-CZ 3.63Å; P49-F51 WeakPolarHBondContact O-CD2 3.33Å; P49-F51 WeakPolarHBondContact O-CG 3.47Å; P49-F51 PolarHBondContact O-N 3.38Å
50	A	77	Confident	63.7	Low	102 Å²	102	89 Å²	89	84%	0.843	52%	0.515	S	S	*	.			trans	-70.1	80.5	177.3	0	0	0	0	0	109.9	T48	T48-A50 PolarHBondContact O-N 3.16Å
51	F	88.2	Confident	66.7	Low	27 Å²	27	85 Å²	85	12%	0.118	51%	0.506	C	S	.	.			trans	-71.3	142.9	-178	-62.7	-63.6	0	0	0	111.4	P49 H53 L54 V127 Y137 A143	P49-F51 HydrophobicContact CB-CD1 4.16Å; P49-F51 HydrophobicContact CB-CD2 4.41Å; P49-F51 HydrophobicContact CB-CE1 3.7Å; P49-F51 HydrophobicContact CB-CE2 3.97Å; P49-F51 HydrophobicContact CB-CZ 3.6Å; P49-F51 HydrophobicContact CG-CE1 4.16Å; P49-F51 HydrophobicContact CG-CE2 4.08Å; P49-F51 HydrophobicContact CG-CZ 3.63Å; P49-F51 WeakPolarHBondContact O-CD2 3.33Å; P49-F51 WeakPolarHBondContact O-CG 3.47Å; P49-F51 PolarHBondContact O-N 3.38Å; F51-H53 WeakPolarHBondContact CB-ND1 3.31Å; F51-H53 PolarHBondContact O-N 2.81Å; F51-L54 WeakPolarHBondContact O-CB 3.27Å; F51-L54 PolarHBondContact O-N 2.74Å; F51-V127 HydrophobicContact CD2-CG2 4.03Å; F51-V127 HydrophobicContact CE2-CG2 3.97Å; F51-Y137 HydrophobicContact CE1-CD1 4.43Å; F51-Y137 HydrophobicContact CE1-CE1 4.42Å; F51-Y137 HydrophobicContact CE2-CE1 4.35Å; F51-Y137 HydrophobicContact CE2-CE2 4.42Å; F51-Y137 AromaticContact CE2-CZ 3.98Å; F51-Y137 HydrophobicContact CZ-CD1 4.13Å; F51-Y137 HydrophobicContact CZ-CD2 4.1Å; F51-Y137 AromaticContact CZ-CE1 3.77Å; F51-Y137 HydrophobicContact CZ-CE1 3.77Å; F51-Y137 AromaticContact CZ-CE2 3.74Å; F51-Y137 HydrophobicContact CZ-CE2 3.74Å; F51-Y137 HydrophobicContact CZ-CG 4.27Å; F51-Y137 AromaticContact CZ-CZ 3.55Å; F51-A143 HydrophobicContact CB-CB 4.23Å; F51-A143 HydrophobicContact CD1-CB 3.63Å; F51-A143 HydrophobicContact CD2-CB 3.91Å; F51-A143 HydrophobicContact CE1-CB 3.82Å; F51-A143 HydrophobicContact CE2-CB 4.1Å; F51-A143 HydrophobicContact CG-CB 3.67Å; F51-A143 HydrophobicContact CZ-CB 4.04Å
52	R	87.7	Confident	69.8	Low	132 Å²	132	86.5 Å²	86.5	50%	0.498	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-49	-34.8	-178.2	-170.7	173.6	-178.8	175.4	-3.2	115.6	L54 G55 F56 D141	R52-L54 VanDerWaalsContact C-N 3.27Å; R52-L54 PolarHBondContact O-N 2.87Å; R52-G55 PolarHBondContact O-N 3.32Å; R52-G55 VanDerWaalsContact O-N 3.12Å; R52-F56 HydrophobicContact CG-CE1 3.96Å; R52-F56 HydrophobicContact CG-CZ 3.87Å; R52-D141 WeakPolarHBondContact CB-O 2.99Å; R52-D141 IonicContact CZ-OD2 3.43Å; R52-D141 PolarHBondContact N-O 3.02Å; R52-D141 IonicContact NH1-OD2 2.65Å; R52-D141 PolarHBondContact NH1-OD2 3.29Å
53	H	91	Very high	73	Confident	9 Å²	9	83.6 Å²	83.6	4%	0.042	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-68.4	-24	-178.3	70.9	-86	0	0	0	113.9	F51 G55 F56 L59 H123	F51-H53 WeakPolarHBondContact CB-ND1 3.31Å; F51-H53 PolarHBondContact O-N 2.81Å; H53-G55 PolarHBondContact O-N 2.97Å; H53-F56 HydrophobicContact CB-CD2 4.11Å; H53-F56 HydrophobicContact CB-CE2 4.07Å; H53-F56 PolarHBondContact O-N 2.96Å; H53-L59 HydrophobicContact CB-CD1 4.43Å; H53-H123 HydrophobicContact CB-CB 3.84Å
54	L	88.9	Confident	76.2	Confident	97 Å²	97	77.9 Å²	77.9	51%	0.508	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-70.4	-19.9	174.7	-59.3	174.5	0	0	0	112	F51 R52	F51-L54 WeakPolarHBondContact O-CB 3.27Å; F51-L54 PolarHBondContact O-N 2.74Å; R52-L54 VanDerWaalsContact C-N 3.27Å; R52-L54 PolarHBondContact O-N 2.87Å
55	G	89.4	Confident	79.5	Confident	54 Å²	54	72.8 Å²	72.8	56%	0.557	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-85.5	-8.8	176.5	0	0	0	0	0	114.5	R52 H53 D57	R52-G55 PolarHBondContact O-N 3.32Å; R52-G55 VanDerWaalsContact O-N 3.12Å; H53-G55 PolarHBondContact O-N 2.97Å; G55-D57 PolarHBondContact O-N 3.35Å
56	F	92.9	Very high	82.6	Confident	32 Å²	32	68.4 Å²	68.4	14%	0.14	39%	0.386	C	S	.	.			trans	-76.8	119.4	-178.5	-61.8	-27.5	0	0	0	110.9	R52 H53 F58 L59 F88 W100	R52-F56 HydrophobicContact CG-CE1 3.96Å; R52-F56 HydrophobicContact CG-CZ 3.87Å; H53-F56 HydrophobicContact CB-CD2 4.11Å; H53-F56 HydrophobicContact CB-CE2 4.07Å; H53-F56 PolarHBondContact O-N 2.96Å; F56-F58 VanDerWaalsContact C-N 3.31Å; F56-F58 HydrophobicContact CB-CD1 4.1Å; F56-F58 HydrophobicContact CB-CE1 3.72Å; F56-F58 HydrophobicContact CB-CZ 4.19Å; F56-F58 HydrophobicContact CD2-CE1 4.35Å; F56-F58 HydrophobicContact CD2-CZ 4.24Å; F56-F58 HydrophobicContact CG-CE1 4.1Å; F56-F58 HydrophobicContact CG-CZ 4.43Å; F56-F58 PolarHBondContact O-N 2.87Å; F56-L59 HydrophobicContact CB-CB 4.35Å; F56-L59 HydrophobicContact CB-CD1 4.08Å; F56-L59 HydrophobicContact CB-CG 4.28Å; F56-L59 HydrophobicContact CD2-CD1 3.83Å; F56-L59 HydrophobicContact CG-CD1 4.48Å; F56-L59 PolarHBondContact O-N 2.95Å; F56-F88 HydrophobicContact CD1-CE2 4.08Å; F56-F88 HydrophobicContact CD2-CE2 4.25Å; F56-F88 HydrophobicContact CD2-CZ 4.05Å; F56-F88 AromaticContact CE1-CE2 3.78Å; F56-F88 HydrophobicContact CE1-CE2 3.78Å; F56-F88 HydrophobicContact CE1-CZ 4.32Å; F56-F88 AromaticContact CE2-CE2 3.98Å; F56-F88 HydrophobicContact CE2-CE2 3.98Å; F56-F88 AromaticContact CE2-CZ 3.67Å; F56-F88 HydrophobicContact CE2-CZ 3.67Å; F56-F88 HydrophobicContact CG-CE2 4.33Å; F56-F88 AromaticContact CZ-CE2 3.74Å; F56-F88 HydrophobicContact CZ-CE2 3.74Å; F56-F88 AromaticContact CZ-CZ 3.81Å; F56-F88 HydrophobicContact CZ-CZ 3.81Å; F56-W100 HydrophobicContact CD2-CH2 4.49Å; F56-W100 HydrophobicContact CD2-CZ2 4.27Å; F56-W100 AromaticContact CE2-CZ2 3.93Å; F56-W100 HydrophobicContact CE2-CZ2 3.93Å
57	D	92.9	Very high	85.5	Confident	95 Å²	95	65.3 Å²	65.3	51%	0.508	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-59.7	-38.6	-172.8	-169.6	51.9	0	0	0	113.3	G55 L59 R60 N63	G55-D57 PolarHBondContact O-N 3.35Å; D57-L59 PolarHBondContact O-N 3.48Å; D57-R60 WeakPolarHBondContact O-CB 3.48Å; D57-R60 PolarHBondContact O-N 3Å; D57-R60 IonicContact OD1-CZ 3.73Å; D57-R60 IonicContact OD1-NE 2.78Å; D57-R60 IonicContact OD1-NH1 2.91Å; D57-N63 WeakPolarHBondContact O-CB 3.44Å; D57-N63 PolarHBondContact O-ND2 3.45Å; D57-N63 PolarHBondContact OD1-ND2 3.21Å
58	F	94.5	Very high	88	Confident	23 Å²	23	66 Å²	66	10%	0.101	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-71.4	-10.6	178.3	69.7	-88.7	0	0	0	114.4	F56 L82 V84 P85 F88 W100	F56-F58 VanDerWaalsContact C-N 3.31Å; F56-F58 HydrophobicContact CB-CD1 4.1Å; F56-F58 HydrophobicContact CB-CE1 3.72Å; F56-F58 HydrophobicContact CB-CZ 4.19Å; F56-F58 HydrophobicContact CD2-CE1 4.35Å; F56-F58 HydrophobicContact CD2-CZ 4.24Å; F56-F58 HydrophobicContact CG-CE1 4.1Å; F56-F58 HydrophobicContact CG-CZ 4.43Å; F56-F58 PolarHBondContact O-N 2.87Å; F58-L82 HydrophobicContact CE2-CD2 4.37Å; F58-V84 HydrophobicContact CE2-CB 4.46Å; F58-V84 HydrophobicContact CE2-CG1 4.11Å; F58-V84 HydrophobicContact CE2-CG2 4.14Å; F58-V84 HydrophobicContact CZ-CG1 4.11Å; F58-P85 HydrophobicContact CB-CG 4.21Å; F58-P85 HydrophobicContact CD1-CG 3.96Å; F58-P85 HydrophobicContact CG-CG 4.1Å; F58-F88 HydrophobicContact CE1-CD1 4.13Å; F58-F88 HydrophobicContact CE1-CD2 4.09Å; F58-F88 HydrophobicContact CE1-CE1 4.26Å; F58-F88 HydrophobicContact CE1-CE2 4.21Å; F58-F88 HydrophobicContact CE1-CG 4.03Å; F58-F88 HydrophobicContact CE1-CZ 4.29Å; F58-F88 HydrophobicContact CZ-CD1 4Å; F58-F88 AromaticContact CZ-CE1 3.87Å; F58-F88 HydrophobicContact CZ-CE1 3.87Å; F58-F88 HydrophobicContact CZ-CG 4.38Å; F58-F88 HydrophobicContact CZ-CZ 4.14Å; F58-W100 HydrophobicContact CE2-CZ3 4.38Å
59	L	94.5	Very high	90.1	Very high	19 Å²	19	68.2 Å²	68.2	10%	0.099	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-100.9	-3.2	175.5	-69.8	178.2	0	0	0	113.1	H53 F56 D57 L82 W100 F107 M124	H53-L59 HydrophobicContact CB-CD1 4.43Å; F56-L59 HydrophobicContact CB-CB 4.35Å; F56-L59 HydrophobicContact CB-CD1 4.08Å; F56-L59 HydrophobicContact CB-CG 4.28Å; F56-L59 HydrophobicContact CD2-CD1 3.83Å; F56-L59 HydrophobicContact CG-CD1 4.48Å; F56-L59 PolarHBondContact O-N 2.95Å; D57-L59 PolarHBondContact O-N 3.48Å; L59-L82 HydrophobicContact CD2-CD1 4.16Å; L59-L82 HydrophobicContact CD2-CD2 3.58Å; L59-W100 HydrophobicContact CD1-CH2 3.73Å; L59-W100 HydrophobicContact CD1-CZ3 4.28Å; L59-F107 HydrophobicContact CD2-CE2 4.45Å; L59-M124 HydrophobicContact CD1-CE 4.04Å; L59-M124 HydrophobicContact CD2-CE 4Å
60	R	91.5	Very high	91.7	Very high	114 Å²	114	67.8 Å²	67.8	43%	0.43	35%	0.349	S	S	.	.	S	Bend	trans	-63.3	141.9	174.4	-66.8	-176.7	178.6	-177.8	1.5	109.4	D57 E62 N63 I64	D57-R60 WeakPolarHBondContact O-CB 3.48Å; D57-R60 PolarHBondContact O-N 3Å; D57-R60 IonicContact OD1-CZ 3.73Å; D57-R60 IonicContact OD1-NE 2.78Å; D57-R60 IonicContact OD1-NH1 2.91Å; R60-E62 HydrophobicContact CB-CG 4.26Å; R60-E62 PolarHBondContact O-N 3.13Å; R60-E62 VanDerWaalsContact O-N 3.1Å; R60-N63 HydrophobicContact CB-CB 4.33Å; R60-N63 PolarHBondContact O-N 2.76Å; R60-I64 VanDerWaalsContact O-CG1 3.26Å; R60-I64 WeakPolarHBondContact O-CG1 3.45Å; R60-I64 PolarHBondContact O-N 3.27Å; R60-I64 VanDerWaalsContact O-N 3.14Å
61	P	89.4	Confident	92.5	Very high	82 Å²	82	68.6 Å²	68.6	53%	0.532	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-40.7	-175.8	-19.5	22.3	0	0	0	114.5	I38	I38-P61 VanDerWaalsContact CD1-CA 3.48Å; I38-P61 HydrophobicContact CD1-CB 3.89Å; I38-P61 HydrophobicContact CD1-CG 4.35Å; I38-P61 HydrophobicContact CG2-CG 3.95Å
62	E	90.4	Very high	92.5	Very high	105 Å²	105	69.9 Å²	69.9	49%	0.491	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.9	175.9	48.3	-86	-166.6	0	0	113.1	R60 R71	R60-E62 HydrophobicContact CB-CG 4.26Å; R60-E62 PolarHBondContact O-N 3.13Å; R60-E62 VanDerWaalsContact O-N 3.1Å; E62-R71 VanDerWaalsContact O-CZ 3.31Å; E62-R71 PolarHBondContact O-NE 3.49Å; E62-R71 PolarHBondContact O-NH2 3.39Å
63	N	93.9	Very high	92.5	Very high	51 Å²	51	69.9 Å²	69.9	27%	0.273	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-2.1	-171.5	-66.2	-19.2	0	0	0	114.3	D57 R60 M65	D57-N63 WeakPolarHBondContact O-CB 3.44Å; D57-N63 PolarHBondContact O-ND2 3.45Å; D57-N63 PolarHBondContact OD1-ND2 3.21Å; R60-N63 HydrophobicContact CB-CB 4.33Å; R60-N63 PolarHBondContact O-N 2.76Å; N63-M65 PolarHBondContact O-N 2.83Å
64	I	95	Very high	92.4	Very high	15 Å²	15	72.1 Å²	72.1	8%	0.077	37%	0.369	C	S	.	.			trans	-62.9	129.9	178.7	-60.8	-140.6	0	0	0	109.9	I38 R60 L82 F107	I38-I64 HydrophobicContact CD1-CD1 3.25Å; I38-I64 HydrophobicContact CD1-CG1 3.73Å; I38-I64 HydrophobicContact CG1-CD1 3.8Å; R60-I64 VanDerWaalsContact O-CG1 3.26Å; R60-I64 WeakPolarHBondContact O-CG1 3.45Å; R60-I64 PolarHBondContact O-N 3.27Å; R60-I64 VanDerWaalsContact O-N 3.14Å; I64-L82 HydrophobicContact CG2-CD1 4.01Å; I64-F107 HydrophobicContact CD1-CE1 4.17Å; I64-F107 HydrophobicContact CD1-CZ 3.75Å; I64-F107 HydrophobicContact CG2-CE1 4.35Å
65	M	96.5	Very high	92.2	Very high	50 Å²	50	72.7 Å²	72.7	25%	0.246	38%	0.378	C	S	.	.			trans	-133.5	154.4	175.4	-64.1	176.9	-70.1	0	0	110.6	N63 R69 R70 R71 L82 Y83	N63-M65 PolarHBondContact O-N 2.83Å; M65-R69 HydrophobicContact SD-CB 4.14Å; M65-R70 CarbonylContact C-O 3.56Å; M65-R70 WeakPolarHBondContact CA-O 3.32Å; M65-R70 WeakPolarHBondContact CB-O 3.38Å; M65-R71 HydrophobicContact CG-CG 3.83Å; M65-L82 CarbonylContact O-C 3.55Å; M65-L82 WeakPolarHBondContact O-CA 3.36Å; M65-Y83 HydrophobicContact CE-CD1 3.87Å; M65-Y83 HydrophobicContact CE-CE1 4.42Å; M65-Y83 PolarHBondContact O-N 3.3Å
66	D	95	Very high	92.2	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.378	C	S	.	.			trans	-72.6	174.2	171	78.6	0.6	0	0	0	111.1	E68 R69 R70 Y77 D78 T81 Y83	D66-E68 PolarHBondContact O-N 3.4Å; D66-E68 VanDerWaalsContact O-N 3.1Å; D66-E68 VanDerWaalsContact OD1-C 3.24Å; D66-E68 WeakPolarHBondContact OD1-CA 3.33Å; D66-E68 PolarHBondContact OD1-N 2.89Å; D66-R69 WeakPolarHBondContact O-CA 3.35Å; D66-R69 PolarHBondContact O-N 3.49Å; D66-R69 PolarHBondContact OD1-N 2.88Å; D66-R70 PolarHBondContact N-O 3.5Å; D66-R70 WeakPolarHBondContact OD1-CB 3.26Å; D66-R70 PolarHBondContact OD1-N 3.29Å; D66-R70 IonicContact OD1-NE 2.75Å; D66-R70 IonicContact OD2-CZ 3.62Å; D66-R70 IonicContact OD2-NE 3.65Å; D66-R70 PolarHBondContact OD2-NE 2.78Å; D66-R70 IonicContact OD2-NH2 3.83Å; D66-Y77 HydrophobicContact CB-CD2 3.71Å; D66-Y77 HydrophobicContact CB-CE2 3.76Å; D66-D78 HydrophobicContact CB-CB 4.28Å; D66-D78 WeakPolarHBondContact CB-O 3.42Å; D66-D78 PolarHBondContact OD2-N 2.93Å; D66-T81 WeakPolarHBondContact CB-OG1 3.5Å; D66-Y83 VanDerWaalsContact O-CB 3.25Å; D66-Y83 WeakPolarHBondContact O-CB 3.49Å
67	V	94.1	Very high	92.1	Very high	81 Å²	81	75 Å²	75	49%	0.491	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.6	-178.1	71.1	0	0	0	0	114	R69 T81	V67-R69 VanDerWaalsContact C-N 3.28Å; V67-T81 HydrophobicContact CG1-CG2 4.3Å; V67-T81 PolarHBondContact N-OG1 2.93Å
68	E	93.8	Very high	92	Very high	129 Å²	129	71.4 Å²	71.4	60%	0.603	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	10.8	176.9	-65.4	-65.6	160.4	0	0	112.5	D66 R70	D66-E68 PolarHBondContact O-N 3.4Å; D66-E68 VanDerWaalsContact O-N 3.1Å; D66-E68 VanDerWaalsContact OD1-C 3.24Å; D66-E68 WeakPolarHBondContact OD1-CA 3.33Å; D66-E68 PolarHBondContact OD1-N 2.89Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 HydrophobicContact CB-CG 4.47Å; E68-R70 VanDerWaalsContact CG-NH2 3.28Å; E68-R70 PolarHBondContact O-N 3.23Å
69	R	94.5	Very high	91.7	Very high	149 Å²	149	71.7 Å²	71.7	56%	0.562	36%	0.364	S	S	*	.	S	Bend	trans	64.9	29	179	-54.4	179.1	176	173.8	0.6	114.3	M65 D66 V67 Y83	M65-R69 HydrophobicContact SD-CB 4.14Å; D66-R69 WeakPolarHBondContact O-CA 3.35Å; D66-R69 PolarHBondContact O-N 3.49Å; D66-R69 PolarHBondContact OD1-N 2.88Å; V67-R69 VanDerWaalsContact C-N 3.28Å; R69-Y83 HydrophobicContact CG-CD2 3.8Å; R69-Y83 HydrophobicContact CG-CE2 4.01Å; R69-Y83 HydrophobicContact CG-CG 4.1Å; R69-Y83 VanDerWaalsContact NE-CE2 3.28Å; R69-Y83 PolarHBondContact NE-OH 2.91Å; R69-Y83 PolarHBondContact NH2-OH 3.29Å
70	R	94.4	Very high	91.6	Very high	58 Å²	58	72.2 Å²	72.2	22%	0.219	37%	0.366	C	S	.	.			trans	-89.1	146.2	173.3	-59.5	177.3	-93.2	-145.6	-5.3	110.6	M65 D66 E68 D74 E76 Y77	M65-R70 CarbonylContact C-O 3.56Å; M65-R70 WeakPolarHBondContact CA-O 3.32Å; M65-R70 WeakPolarHBondContact CB-O 3.38Å; D66-R70 PolarHBondContact N-O 3.5Å; D66-R70 WeakPolarHBondContact OD1-CB 3.26Å; D66-R70 PolarHBondContact OD1-N 3.29Å; D66-R70 IonicContact OD1-NE 2.75Å; D66-R70 IonicContact OD2-CZ 3.62Å; D66-R70 IonicContact OD2-NE 3.65Å; D66-R70 PolarHBondContact OD2-NE 2.78Å; D66-R70 IonicContact OD2-NH2 3.83Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 HydrophobicContact CB-CG 4.47Å; E68-R70 VanDerWaalsContact CG-NH2 3.28Å; E68-R70 PolarHBondContact O-N 3.23Å; R70-D74 HydrophobicContact CB-CB 3.93Å; R70-E76 PolarHBondContact NE-O 3.24Å; R70-E76 IonicContact NH1-OE2 2.81Å; R70-E76 PolarHBondContact NH1-OE2 3.1Å; R70-Y77 VanDerWaalsContact O-CD2 3.29Å; R70-Y77 WeakPolarHBondContact O-CD2 3.3Å
71	R	93.4	Very high	91.8	Very high	118 Å²	118	67.5 Å²	67.5	45%	0.445	35%	0.35	S	S	.	.			trans	-95.8	165.6	176.7	-70.2	178.7	91.7	-166.6	9.9	110.6	E62 M65 D73 D74 Y77	E62-R71 VanDerWaalsContact O-CZ 3.31Å; E62-R71 PolarHBondContact O-NE 3.49Å; E62-R71 PolarHBondContact O-NH2 3.39Å; M65-R71 HydrophobicContact CG-CG 3.83Å; R71-D73 WeakPolarHBondContact CB-OD1 3.29Å; R71-D73 PolarHBondContact O-N 3.4Å; R71-D74 WeakPolarHBondContact O-CB 3.24Å; R71-D74 PolarHBondContact O-N 3.3Å; R71-Y77 VanDerWaalsContact O-CB 3.31Å; R71-Y77 WeakPolarHBondContact O-CB 3.18Å
72	A	87.8	Confident	92.2	Very high	54 Å²	54	63.6 Å²	63.6	45%	0.446	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.6	-172.6	0	0	0	0	0	115.6	T35 Y77	T35-A72 HydrophobicContact CG2-CB 4.44Å; A72-Y77 HydrophobicContact CB-CD1 4.23Å; A72-Y77 HydrophobicContact CB-CE1 4.12Å
73	D	88.8	Confident	92.5	Very high	133 Å²	133	60.6 Å²	60.6	71%	0.711	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-16.3	173.8	55.5	-30.9	0	0	0	113.6	R71	R71-D73 WeakPolarHBondContact CB-OD1 3.29Å; R71-D73 PolarHBondContact O-N 3.4Å
74	D	89.5	Confident	92.6	Very high	56 Å²	56	58.6 Å²	58.6	30%	0.299	30%	0.299	S	S	.	.	S	Bend	trans	-70	130.8	174.8	-165.9	-56.6	0	0	0	110.8	R70 R71 E76 Y77 R256	R70-D74 HydrophobicContact CB-CB 3.93Å; R71-D74 WeakPolarHBondContact O-CB 3.24Å; R71-D74 PolarHBondContact O-N 3.3Å; D74-E76 PolarHBondContact O-N 3.23Å; D74-E76 PolarHBondContact OD1-N 2.95Å; D74-Y77 VanDerWaalsContact O-CB 3.25Å; D74-Y77 WeakPolarHBondContact O-CB 3.28Å; D74-Y77 PolarHBondContact O-N 3.1Å; D74-Y77 VanDerWaalsContact O-N 3.14Å; D74-R256 PolarHBondContact O-NH2 3Å
75	P	84.1	Confident	92.7	Very high	108 Å²	108	59.1 Å²	59.1	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31	176.1	-25.9	35	0	0	0	114.4
76	E	88.6	Confident	92.6	Very high	119 Å²	119	60.1 Å²	60.1	56%	0.556	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	7.5	-179.2	-57.7	-163.5	142.2	0	0	113.6	R70 D74 D78	R70-E76 PolarHBondContact NE-O 3.24Å; R70-E76 IonicContact NH1-OE2 2.81Å; R70-E76 PolarHBondContact NH1-OE2 3.1Å; D74-E76 PolarHBondContact O-N 3.23Å; D74-E76 PolarHBondContact OD1-N 2.95Å; E76-D78 PolarHBondContact O-N 3.28Å
77	Y	91	Very high	92.7	Very high	16 Å²	16	64.4 Å²	64.4	6%	0.063	34%	0.344	C	S	.	.			trans	-55	124.4	175.1	171.3	-109.6	0	0	0	111.9	D66 R70 R71 A72 D74 R256	D66-Y77 HydrophobicContact CB-CD2 3.71Å; D66-Y77 HydrophobicContact CB-CE2 3.76Å; R70-Y77 VanDerWaalsContact O-CD2 3.29Å; R70-Y77 WeakPolarHBondContact O-CD2 3.3Å; R71-Y77 VanDerWaalsContact O-CB 3.31Å; R71-Y77 WeakPolarHBondContact O-CB 3.18Å; A72-Y77 HydrophobicContact CB-CD1 4.23Å; A72-Y77 HydrophobicContact CB-CE1 4.12Å; D74-Y77 VanDerWaalsContact O-CB 3.25Å; D74-Y77 WeakPolarHBondContact O-CB 3.28Å; D74-Y77 PolarHBondContact O-N 3.1Å; D74-Y77 VanDerWaalsContact O-N 3.14Å; Y77-R256 PolarHBondContact O-NH1 2.96Å
78	D	90.6	Very high	92.7	Very high	20 Å²	20	61.9 Å²	61.9	11%	0.107	33%	0.326	C	S	.	.			trans	-94.3	103.6	172.7	-167.2	-8.2	0	0	0	112.2	D66 E76 H80 T81 L280 Q284	D66-D78 HydrophobicContact CB-CB 4.28Å; D66-D78 WeakPolarHBondContact CB-O 3.42Å; D66-D78 PolarHBondContact OD2-N 2.93Å; E76-D78 PolarHBondContact O-N 3.28Å; D78-H80 PolarHBondContact O-N 3.46Å; D78-H80 VanDerWaalsContact OD1-CB 3.27Å; D78-H80 WeakPolarHBondContact OD1-CB 3.25Å; D78-H80 IonicContact OD1-CD2 3.53Å; D78-H80 PolarHBondContact OD1-CD2 3.32Å; D78-H80 IonicContact OD1-CG 3.78Å; D78-H80 PolarHBondContact OD1-N 3.03Å; D78-T81 HydrophobicContact CB-CG2 4.49Å; D78-T81 PolarHBondContact O-N 2.89Å; D78-T81 VanDerWaalsContact O-N 3.14Å; D78-T81 PolarHBondContact O-OG1 3.4Å; D78-L280 HydrophobicContact CB-CD1 4.06Å; D78-Q284 PolarHBondContact OD2-NE2 2.89Å
79	G	89.9	Confident	92.7	Very high	29 Å²	29	57.2 Å²	57.2	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11	177.6	0	0	0	0	0	114.8	T81	G79-T81 VanDerWaalsContact C-N 3.28Å
80	H	91.3	Very high	92.7	Very high	29 Å²	29	57.9 Å²	57.9	13%	0.134	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-15.6	173.6	-61.4	-70.7	0	0	0	112.4	D78 A105 N106 F107 D108 E277	D78-H80 PolarHBondContact O-N 3.46Å; D78-H80 VanDerWaalsContact OD1-CB 3.27Å; D78-H80 WeakPolarHBondContact OD1-CB 3.25Å; D78-H80 IonicContact OD1-CD2 3.53Å; D78-H80 PolarHBondContact OD1-CD2 3.32Å; D78-H80 IonicContact OD1-CG 3.78Å; D78-H80 PolarHBondContact OD1-N 3.03Å; H80-A105 CarbonylContact O-C 3.56Å; H80-N106 CarbonylContact O-C 3.47Å; H80-N106 WeakPolarHBondContact O-CA 3.35Å; H80-F107 PolarHBondContact O-N 2.94Å; H80-D108 IonicContact CE1-OD2 2.86Å; H80-D108 PolarHBondContact CE1-OD2 3.41Å; H80-D108 VanDerWaalsContact CE1-OD2 3.26Å; H80-D108 IonicContact CG-OD2 3.81Å; H80-D108 VanDerWaalsContact ND1-CG 3.29Å; H80-D108 IonicContact ND1-OD1 2.76Å; H80-D108 IonicContact ND1-OD2 3.41Å; H80-D108 PolarHBondContact ND1-OD2 3.21Å; H80-E277 IonicContact CE1-OE2 3.64Å; H80-E277 PolarHBondContact CE1-OE2 3.16Å; H80-E277 IonicContact NE2-OE2 3.59Å
81	T	95.4	Very high	92.7	Very high	15 Å²	15	59.2 Å²	59.2	9%	0.092	33%	0.33	C	S	.	.			trans	-118.7	161.8	-175.2	73.1	0	0	0	0	112.6	D66 V67 D78 G79 A104	D66-T81 WeakPolarHBondContact CB-OG1 3.5Å; V67-T81 HydrophobicContact CG1-CG2 4.3Å; V67-T81 PolarHBondContact N-OG1 2.93Å; D78-T81 HydrophobicContact CB-CG2 4.49Å; D78-T81 PolarHBondContact O-N 2.89Å; D78-T81 VanDerWaalsContact O-N 3.14Å; D78-T81 PolarHBondContact O-OG1 3.4Å; G79-T81 VanDerWaalsContact C-N 3.28Å; T81-A104 CarbonylContact C-O 3.5Å; T81-A104 VanDerWaalsContact CA-O 3.22Å; T81-A104 WeakPolarHBondContact CA-O 3.38Å; T81-A104 WeakPolarHBondContact CB-O 3.41Å
82	L	97.2	Very high	92.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.316	C	S	.	.			trans	-137.7	129.7	177.6	172.2	74.8	0	0	0	109.9	F58 L59 I64 M65 V84 W100 A104 F107	F58-L82 HydrophobicContact CE2-CD2 4.37Å; L59-L82 HydrophobicContact CD2-CD1 4.16Å; L59-L82 HydrophobicContact CD2-CD2 3.58Å; I64-L82 HydrophobicContact CG2-CD1 4.01Å; M65-L82 CarbonylContact O-C 3.55Å; M65-L82 WeakPolarHBondContact O-CA 3.36Å; L82-V84 HydrophobicContact CD2-CG2 3.88Å; L82-V84 HydrophobicContact CG-CG2 4.15Å; L82-V84 PolarHBondContact O-N 2.69Å; L82-W100 HydrophobicContact CD2-CZ3 4.41Å; L82-A104 PolarHBondContact N-O 2.57Å; L82-A104 WeakPolarHBondContact O-CB 3.5Å; L82-F107 HydrophobicContact CB-CB 3.91Å; L82-F107 HydrophobicContact CB-CD1 4.4Å; L82-F107 HydrophobicContact CB-CD2 3.66Å; L82-F107 HydrophobicContact CB-CE2 4.28Å; L82-F107 HydrophobicContact CB-CG 3.74Å; L82-F107 HydrophobicContact CD1-CD2 4.42Å; L82-F107 HydrophobicContact CD1-CE2 4.21Å; L82-F107 HydrophobicContact CD1-CZ 4.35Å; L82-F107 HydrophobicContact CD2-CD2 3.71Å; L82-F107 HydrophobicContact CD2-CE2 3.73Å; L82-F107 HydrophobicContact CG-CD2 4.12Å; L82-F107 HydrophobicContact CG-CE2 4.28Å
83	Y	97.7	Very high	92.9	Very high	42 Å²	42	56.4 Å²	56.4	17%	0.165	32%	0.318	C	S	.	.			trans	-70.7	115.3	167	178.7	-107.9	0	0	0	111	M65 D66 R69 P85 P86	M65-Y83 HydrophobicContact CE-CD1 3.87Å; M65-Y83 HydrophobicContact CE-CE1 4.42Å; M65-Y83 PolarHBondContact O-N 3.3Å; D66-Y83 VanDerWaalsContact O-CB 3.25Å; D66-Y83 WeakPolarHBondContact O-CB 3.49Å; R69-Y83 HydrophobicContact CG-CD2 3.8Å; R69-Y83 HydrophobicContact CG-CE2 4.01Å; R69-Y83 HydrophobicContact CG-CG 4.1Å; R69-Y83 VanDerWaalsContact NE-CE2 3.28Å; R69-Y83 PolarHBondContact NE-OH 2.91Å; R69-Y83 PolarHBondContact NH2-OH 3.29Å; Y83-P85 HydrophobicContact CE1-CB 4.49Å; Y83-P85 HydrophobicContact CE1-CG 4.07Å; Y83-P86 WeakPolarHBondContact OH-CD 3.47Å
84	V	96.7	Very high	93.1	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	30%	0.298	C	S	.	.			trans	-109.2	121.3	171	-174.3	0	0	0	0	108.8	F58 L82 F88 L89 W100 A104	F58-V84 HydrophobicContact CE2-CB 4.46Å; F58-V84 HydrophobicContact CE2-CG1 4.11Å; F58-V84 HydrophobicContact CE2-CG2 4.14Å; F58-V84 HydrophobicContact CZ-CG1 4.11Å; L82-V84 HydrophobicContact CD2-CG2 3.88Å; L82-V84 HydrophobicContact CG-CG2 4.15Å; L82-V84 PolarHBondContact O-N 2.69Å; V84-F88 HydrophobicContact CG1-CD1 3.57Å; V84-F88 HydrophobicContact CG1-CE1 4.11Å; V84-L89 HydrophobicContact CB-CD1 4.44Å; V84-L89 HydrophobicContact CB-CD2 4.4Å; V84-L89 HydrophobicContact CB-CG 4.32Å; V84-L89 HydrophobicContact CG1-CD1 4.42Å; V84-L89 HydrophobicContact CG1-CD2 3.79Å; V84-L89 HydrophobicContact CG1-CG 3.78Å; V84-W100 HydrophobicContact CG2-CE3 4.1Å; V84-A104 HydrophobicContact CG2-CB 3.78Å
85	P	96.2	Very high	93.3	Very high	26 Å²	26	50.2 Å²	50.2	17%	0.169	29%	0.292	C	S	.	.			trans	-55.1	132.2	-176.5	-27.7	34.3	0	0	0	112.9	F58 Y83 S87 F88 L89	F58-P85 HydrophobicContact CB-CG 4.21Å; F58-P85 HydrophobicContact CD1-CG 3.96Å; F58-P85 HydrophobicContact CG-CG 4.1Å; Y83-P85 HydrophobicContact CE1-CB 4.49Å; Y83-P85 HydrophobicContact CE1-CG 4.07Å; P85-S87 PolarHBondContact O-N 2.92Å; P85-F88 HydrophobicContact CB-CB 4.1Å; P85-F88 WeakPolarHBondContact O-CA 3.44Å; P85-F88 WeakPolarHBondContact O-CB 3.34Å; P85-F88 PolarHBondContact O-N 2.94Å; P85-L89 PolarHBondContact O-N 2.86Å
86	P	95.2	Very high	93.7	Very high	70 Å²	70	46.2 Å²	46.2	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-58.8	-32.3	179.5	-27.4	34.6	0	0	0	113.9	Y83 L89 K90	Y83-P86 WeakPolarHBondContact OH-CD 3.47Å; P86-L89 PolarHBondContact O-N 3.3Å; P86-K90 WeakPolarHBondContact O-CG 3.5Å; P86-K90 PolarHBondContact O-N 3.27Å
87	S	95.3	Very high	94.1	Very high	91 Å²	91	43.5 Å²	43.5	64%	0.636	25%	0.248	S	C	*	.	H	α-helix	trans	-63.5	-42.5	173.9	50.2	0	0	0	0	111.9	P85 K90 S91	P85-S87 PolarHBondContact O-N 2.92Å; S87-K90 PolarHBondContact O-N 3.02Å; S87-S91 PolarHBondContact O-N 2.87Å
88	F	95.9	Very high	94.3	Very high	27 Å²	27	44.4 Å²	44.4	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-44	175.4	176.3	-92.9	0	0	0	111.6	F56 F58 V84 P85 K90 S91 Q92 W100	F56-F88 HydrophobicContact CD1-CE2 4.08Å; F56-F88 HydrophobicContact CD2-CE2 4.25Å; F56-F88 HydrophobicContact CD2-CZ 4.05Å; F56-F88 AromaticContact CE1-CE2 3.78Å; F56-F88 HydrophobicContact CE1-CE2 3.78Å; F56-F88 HydrophobicContact CE1-CZ 4.32Å; F56-F88 AromaticContact CE2-CE2 3.98Å; F56-F88 HydrophobicContact CE2-CE2 3.98Å; F56-F88 AromaticContact CE2-CZ 3.67Å; F56-F88 HydrophobicContact CE2-CZ 3.67Å; F56-F88 HydrophobicContact CG-CE2 4.33Å; F56-F88 AromaticContact CZ-CE2 3.74Å; F56-F88 HydrophobicContact CZ-CE2 3.74Å; F56-F88 AromaticContact CZ-CZ 3.81Å; F56-F88 HydrophobicContact CZ-CZ 3.81Å; F58-F88 HydrophobicContact CE1-CD1 4.13Å; F58-F88 HydrophobicContact CE1-CD2 4.09Å; F58-F88 HydrophobicContact CE1-CE1 4.26Å; F58-F88 HydrophobicContact CE1-CE2 4.21Å; F58-F88 HydrophobicContact CE1-CG 4.03Å; F58-F88 HydrophobicContact CE1-CZ 4.29Å; F58-F88 HydrophobicContact CZ-CD1 4Å; F58-F88 AromaticContact CZ-CE1 3.87Å; F58-F88 HydrophobicContact CZ-CE1 3.87Å; F58-F88 HydrophobicContact CZ-CG 4.38Å; F58-F88 HydrophobicContact CZ-CZ 4.14Å; V84-F88 HydrophobicContact CG1-CD1 3.57Å; V84-F88 HydrophobicContact CG1-CE1 4.11Å; P85-F88 HydrophobicContact CB-CB 4.1Å; P85-F88 WeakPolarHBondContact O-CA 3.44Å; P85-F88 WeakPolarHBondContact O-CB 3.34Å; P85-F88 PolarHBondContact O-N 2.94Å; F88-K90 VanDerWaalsContact C-N 3.29Å; F88-K90 PolarHBondContact O-N 2.96Å; F88-S91 PolarHBondContact O-N 3.44Å; F88-S91 VanDerWaalsContact O-N 3.09Å; F88-S91 PolarHBondContact O-OG 2.83Å; F88-Q92 HydrophobicContact CD1-CG 4.29Å; F88-Q92 HydrophobicContact CE1-CG 3.95Å; F88-Q92 HydrophobicContact CZ-CG 4.31Å; F88-Q92 WeakPolarHBondContact O-CG 3.39Å; F88-Q92 PolarHBondContact O-N 2.87Å; F88-Q92 PolarHBondContact O-NE2 2.93Å; F88-W100 AromaticContact CE1-CD1 3.93Å; F88-W100 AromaticContact CE1-CD2 3.95Å; F88-W100 HydrophobicContact CE1-CD2 3.95Å; F88-W100 AromaticContact CE1-CE2 3.75Å; F88-W100 HydrophobicContact CE1-CG 4.08Å; F88-W100 HydrophobicContact CE1-CZ2 4.33Å; F88-W100 AromaticContact CE1-NE1 3.71Å; F88-W100 HydrophobicContact CZ-CZ2 4.27Å; F88-W100 AromaticContact CZ-NE1 3.91Å
89	L	94.1	Very high	94.7	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-41.5	176.2	-74	173.6	0	0	0	111.9	V84 P85 P86 S91 Q92 R97 W100 Q101	V84-L89 HydrophobicContact CB-CD1 4.44Å; V84-L89 HydrophobicContact CB-CD2 4.4Å; V84-L89 HydrophobicContact CB-CG 4.32Å; V84-L89 HydrophobicContact CG1-CD1 4.42Å; V84-L89 HydrophobicContact CG1-CD2 3.79Å; V84-L89 HydrophobicContact CG1-CG 3.78Å; P85-L89 PolarHBondContact O-N 2.86Å; P86-L89 PolarHBondContact O-N 3.3Å; L89-S91 VanDerWaalsContact C-N 3.29Å; L89-S91 PolarHBondContact O-N 3.48Å; L89-Q92 PolarHBondContact O-N 2.88Å; L89-R97 HydrophobicContact CD2-CG 4.46Å; L89-R97 PolarHBondContact O-NE 3.02Å; L89-W100 HydrophobicContact CD2-CB 3.58Å; L89-Q101 HydrophobicContact CD2-CG 4.38Å
90	K	93	Very high	95	Very high	164 Å²	164	42 Å²	42	71%	0.713	23%	0.234	S	C	*	.	H	α-helix	trans	-64.4	-31.2	176.4	-75.3	176.6	-177.6	179.7	0	112.7	P86 S87 F88 Q92 R97	P86-K90 WeakPolarHBondContact O-CG 3.5Å; P86-K90 PolarHBondContact O-N 3.27Å; S87-K90 PolarHBondContact O-N 3.02Å; F88-K90 VanDerWaalsContact C-N 3.29Å; F88-K90 PolarHBondContact O-N 2.96Å; K90-Q92 VanDerWaalsContact C-N 3.33Å; K90-R97 PolarHBondContact O-NH2 3.32Å
91	S	93.9	Very high	95.3	Very high	86 Å²	86	45.6 Å²	45.6	60%	0.601	25%	0.25	S	S	*	.	H	α-helix	trans	-78.2	-14.8	177.6	73.5	0	0	0	0	114	S87 F88 L89	S87-S91 PolarHBondContact O-N 2.87Å; F88-S91 PolarHBondContact O-N 3.44Å; F88-S91 VanDerWaalsContact O-N 3.09Å; F88-S91 PolarHBondContact O-OG 2.83Å; L89-S91 VanDerWaalsContact C-N 3.29Å; L89-S91 PolarHBondContact O-N 3.48Å
92	Q	94.1	Very high	95.4	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.15	25%	0.252	C	S	.	.	S	Bend	trans	-76	151.9	178.3	-61.1	-46.9	-55.1	0	0	112.4	F88 L89 K90 H96 R97	F88-Q92 HydrophobicContact CD1-CG 4.29Å; F88-Q92 HydrophobicContact CE1-CG 3.95Å; F88-Q92 HydrophobicContact CZ-CG 4.31Å; F88-Q92 WeakPolarHBondContact O-CG 3.39Å; F88-Q92 PolarHBondContact O-N 2.87Å; F88-Q92 PolarHBondContact O-NE2 2.93Å; L89-Q92 PolarHBondContact O-N 2.88Å; K90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-H96 HydrophobicContact CB-CB 4.24Å; Q92-R97 HydrophobicContact CB-CB 4.17Å; Q92-R97 PolarHBondContact O-NH2 2.92Å
93	T	92.9	Very high	95.4	Very high	80 Å²	80	46.1 Å²	46.1	49%	0.491	25%	0.252	S	S	.	.			trans	-59.5	151.5	167.1	63.5	0	0	0	0	110.2	G95 H96 R97	T93-G95 VanDerWaalsContact C-N 3.28Å; T93-G95 PolarHBondContact O-N 3.23Å; T93-H96 PolarHBondContact O-N 2.91Å; T93-H96 VanDerWaalsContact O-N 3.14Å; T93-H96 WeakPolarHBondContact OG1-CB 3.33Å; T93-H96 PolarHBondContact OG1-ND1 3.24Å; T93-R97 WeakPolarHBondContact O-CB 3.25Å; T93-R97 PolarHBondContact O-N 2.86Å
94	P	92.7	Very high	95.4	Very high	43 Å²	43	44.8 Å²	44.8	28%	0.279	25%	0.25	S	C	.	.	H	α-helix	trans	-55.8	-38.4	-175.2	-27.8	35.3	0	0	0	114.3	R97 Q98 V190	P94-R97 PolarHBondContact O-N 3.35Å; P94-Q98 PolarHBondContact O-N 3.13Å; P94-Q98 VanDerWaalsContact O-N 3.15Å; P94-V190 HydrophobicContact CB-CB 4.41Å; P94-V190 HydrophobicContact CB-CG1 3.85Å; P94-V190 HydrophobicContact CB-CG2 3.61Å
95	G	92.5	Very high	95.4	Very high	17 Å²	17	46.9 Å²	46.9	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-48.2	175.6	0	0	0	0	0	113.1	T93 R97 Q98 W99	T93-G95 VanDerWaalsContact C-N 3.28Å; T93-G95 PolarHBondContact O-N 3.23Å; G95-R97 VanDerWaalsContact C-N 3.28Å; G95-R97 PolarHBondContact O-N 2.84Å; G95-Q98 PolarHBondContact O-N 3.41Å; G95-W99 PolarHBondContact O-N 3.2Å; G95-W99 VanDerWaalsContact O-N 3.15Å
96	H	94.4	Very high	95.4	Very high	24 Å²	24	46.5 Å²	46.5	11%	0.111	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-32.1	176	-82.3	77	0	0	0	112.2	Q92 T93 W99 W100 Y142	Q92-H96 HydrophobicContact CB-CB 4.24Å; T93-H96 PolarHBondContact O-N 2.91Å; T93-H96 VanDerWaalsContact O-N 3.14Å; T93-H96 WeakPolarHBondContact OG1-CB 3.33Å; T93-H96 PolarHBondContact OG1-ND1 3.24Å; H96-W99 PolarHBondContact O-N 2.94Å; H96-W100 VanDerWaalsContact O-CD1 3.24Å; H96-W100 PolarHBondContact O-N 3.42Å; H96-Y142 AromaticContact CE1-CZ 3.89Å; H96-Y142 PolarHBondContact CE1-OH 3.48Å; H96-Y142 AromaticContact NE2-CE2 3.61Å; H96-Y142 AromaticContact NE2-CZ 3.59Å
97	R	95.8	Very high	95.5	Very high	62 Å²	62	43.7 Å²	43.7	23%	0.234	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-45.7	174.5	-172.8	-175.6	-61.9	161.4	5.7	110.9	L89 K90 Q92 T93 P94 G95 W99 W100 Q101	L89-R97 HydrophobicContact CD2-CG 4.46Å; L89-R97 PolarHBondContact O-NE 3.02Å; K90-R97 PolarHBondContact O-NH2 3.32Å; Q92-R97 HydrophobicContact CB-CB 4.17Å; Q92-R97 PolarHBondContact O-NH2 2.92Å; T93-R97 WeakPolarHBondContact O-CB 3.25Å; T93-R97 PolarHBondContact O-N 2.86Å; P94-R97 PolarHBondContact O-N 3.35Å; G95-R97 VanDerWaalsContact C-N 3.28Å; G95-R97 PolarHBondContact O-N 2.84Å; R97-W99 VanDerWaalsContact C-N 3.33Å; R97-W99 PolarHBondContact O-N 2.78Å; R97-W100 PolarHBondContact O-N 3.47Å; R97-Q101 VanDerWaalsContact O-CG 3.29Å; R97-Q101 WeakPolarHBondContact O-CG 3.47Å; R97-Q101 PolarHBondContact O-N 3.3Å
98	Q	96.1	Very high	95.5	Very high	34 Å²	34	40.1 Å²	40.1	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-44.5	174.1	-71.5	-179.2	15.6	0	0	111.3	P94 G95 Q101 M102 F113 V191	P94-Q98 PolarHBondContact O-N 3.13Å; P94-Q98 VanDerWaalsContact O-N 3.15Å; G95-Q98 PolarHBondContact O-N 3.41Å; Q98-Q101 PolarHBondContact O-N 2.9Å; Q98-M102 WeakPolarHBondContact O-CG 3.23Å; Q98-M102 PolarHBondContact O-N 2.88Å; Q98-F113 HydrophobicContact CB-CZ 4.33Å; Q98-V191 PolarHBondContact NE2-O 3.01Å
99	W	97.6	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-47.2	177	-175.6	92.6	0	0	0	112.1	G95 H96 R97 Q101 M102 K103 L111 F113 Y122 H123 M124	G95-W99 PolarHBondContact O-N 3.2Å; G95-W99 VanDerWaalsContact O-N 3.15Å; H96-W99 PolarHBondContact O-N 2.94Å; R97-W99 VanDerWaalsContact C-N 3.33Å; R97-W99 PolarHBondContact O-N 2.78Å; W99-Q101 VanDerWaalsContact C-N 3.31Å; W99-Q101 PolarHBondContact O-N 3.29Å; W99-M102 PolarHBondContact O-N 2.82Å; W99-K103 HydrophobicContact CD2-CB 4.48Å; W99-K103 HydrophobicContact CE3-CB 4.11Å; W99-K103 HydrophobicContact CH2-CB 4.06Å; W99-K103 HydrophobicContact CH2-CD 4.26Å; W99-K103 HydrophobicContact CH2-CG 3.79Å; W99-K103 HydrophobicContact CZ2-CB 4.44Å; W99-K103 HydrophobicContact CZ2-CG 4.4Å; W99-K103 HydrophobicContact CZ3-CB 3.86Å; W99-K103 HydrophobicContact CZ3-CG 3.91Å; W99-K103 WeakPolarHBondContact O-CB 3.44Å; W99-K103 PolarHBondContact O-N 3.42Å; W99-L111 HydrophobicContact CG-CD1 4.5Å; W99-F113 HydrophobicContact CB-CD2 4.23Å; W99-F113 HydrophobicContact CB-CE2 3.91Å; W99-F113 HydrophobicContact CB-CZ 4.09Å; W99-F113 AromaticContact CD1-CD2 3.62Å; W99-F113 AromaticContact CD1-CG 3.74Å; W99-F113 HydrophobicContact CG-CD2 4.33Å; W99-F113 HydrophobicContact CG-CE2 4.49Å; W99-Y122 HydrophobicContact CB-CD2 4.3Å; W99-Y122 AromaticContact CD1-CD2 3.49Å; W99-Y122 VanDerWaalsContact CD1-CD2 3.49Å; W99-Y122 HydrophobicContact CD2-CD2 4.02Å; W99-Y122 AromaticContact CG-CD2 3.68Å; W99-Y122 HydrophobicContact CG-CD2 3.68Å; W99-Y122 HydrophobicContact CG-CE2 4.3Å; W99-Y122 WeakPolarHBondContact CZ2-O 3.42Å; W99-Y122 AromaticContact NE1-CD2 3.68Å; W99-H123 HydrophobicContact CH2-CB 4.14Å; W99-H123 AromaticContact CH2-CD2 3.83Å; W99-H123 AromaticContact CZ3-CD2 3.56Å; W99-M124 HydrophobicContact CH2-SD 3.71Å
100	W	97.3	Very high	95.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-34.3	178.3	-83.8	110	0	0	0	112.7	F56 F58 L59 L82 V84 F88 L89 H96 R97 K103 A104 H123 M124	F56-W100 HydrophobicContact CD2-CH2 4.49Å; F56-W100 HydrophobicContact CD2-CZ2 4.27Å; F56-W100 AromaticContact CE2-CZ2 3.93Å; F56-W100 HydrophobicContact CE2-CZ2 3.93Å; F58-W100 HydrophobicContact CE2-CZ3 4.38Å; L59-W100 HydrophobicContact CD1-CH2 3.73Å; L59-W100 HydrophobicContact CD1-CZ3 4.28Å; L82-W100 HydrophobicContact CD2-CZ3 4.41Å; V84-W100 HydrophobicContact CG2-CE3 4.1Å; F88-W100 AromaticContact CE1-CD1 3.93Å; F88-W100 AromaticContact CE1-CD2 3.95Å; F88-W100 HydrophobicContact CE1-CD2 3.95Å; F88-W100 AromaticContact CE1-CE2 3.75Å; F88-W100 HydrophobicContact CE1-CG 4.08Å; F88-W100 HydrophobicContact CE1-CZ2 4.33Å; F88-W100 AromaticContact CE1-NE1 3.71Å; F88-W100 HydrophobicContact CZ-CZ2 4.27Å; F88-W100 AromaticContact CZ-NE1 3.91Å; L89-W100 HydrophobicContact CD2-CB 3.58Å; H96-W100 VanDerWaalsContact O-CD1 3.24Å; H96-W100 PolarHBondContact O-N 3.42Å; R97-W100 PolarHBondContact O-N 3.47Å; W100-K103 HydrophobicContact CE3-CG 4.44Å; W100-K103 HydrophobicContact CZ3-CG 4.36Å; W100-A104 WeakPolarHBondContact O-CB 3.23Å; W100-A104 PolarHBondContact O-N 3.04Å; W100-H123 AromaticContact CE2-CD2 3.78Å; W100-H123 AromaticContact CE2-NE2 3.83Å; W100-H123 AromaticContact CH2-CD2 3.99Å; W100-H123 AromaticContact CZ2-CD2 3.25Å; W100-H123 WeakPolarHBondContact CZ2-CD2 3.31Å; W100-H123 AromaticContact CZ2-CG 3.99Å; W100-H123 AromaticContact CZ2-NE2 3.54Å; W100-H123 AromaticContact NE1-CD2 4Å; W100-H123 AromaticContact NE1-NE2 3.62Å; W100-M124 HydrophobicContact CH2-CE 4.44Å
101	Q	97.2	Very high	96	Very high	104 Å²	104	29.8 Å²	29.8	49%	0.486	17%	0.173	S	C	.	.	H	α-helix	trans	-64.6	-44.3	173.3	-74.3	171.4	-34.3	0	0	111.6	L89 R97 Q98 W99 A104 A105	L89-Q101 HydrophobicContact CD2-CG 4.38Å; R97-Q101 VanDerWaalsContact O-CG 3.29Å; R97-Q101 WeakPolarHBondContact O-CG 3.47Å; R97-Q101 PolarHBondContact O-N 3.3Å; Q98-Q101 PolarHBondContact O-N 2.9Å; W99-Q101 VanDerWaalsContact C-N 3.31Å; W99-Q101 PolarHBondContact O-N 3.29Å; Q101-A104 PolarHBondContact O-N 3.45Å; Q101-A105 PolarHBondContact O-N 3.02Å
102	M	97.4	Very high	96.3	Very high	25 Å²	25	25.7 Å²	25.7	12%	0.123	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-41.1	176.2	-68	174.9	-174.1	0	0	111.9	Q98 W99 A104 A105 N106 L111 F113 V169 R193 I195	Q98-M102 WeakPolarHBondContact O-CG 3.23Å; Q98-M102 PolarHBondContact O-N 2.88Å; W99-M102 PolarHBondContact O-N 2.82Å; M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A105 PolarHBondContact O-N 2.8Å; M102-N106 WeakPolarHBondContact O-CB 3.37Å; M102-N106 PolarHBondContact O-N 3.49Å; M102-N106 PolarHBondContact O-ND2 3.3Å; M102-L111 HydrophobicContact CB-CD1 3.83Å; M102-F113 HydrophobicContact SD-CD2 4.39Å; M102-F113 HydrophobicContact SD-CE2 4.07Å; M102-V169 HydrophobicContact CE-CG1 3.83Å; M102-V169 HydrophobicContact SD-CB 4.28Å; M102-V169 HydrophobicContact SD-CG1 3.5Å; M102-V169 VanDerWaalsContact SD-CG1 3.5Å; M102-V169 HydrophobicContact SD-CG2 3.73Å; M102-R193 VanDerWaalsContact CE-C 3.41Å; M102-R193 HydrophobicContact CE-CB 3.89Å; M102-R193 WeakPolarHBondContact CE-O 3.31Å; M102-I195 HydrophobicContact CB-CD1 4.47Å; M102-I195 HydrophobicContact SD-CG1 4.36Å
103	K	97.8	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-37.3	176.3	-178.1	58.3	61.6	175.7	0	111.8	W99 W100 A105 N106 F107 T109 L111 M124 D125	W99-K103 HydrophobicContact CD2-CB 4.48Å; W99-K103 HydrophobicContact CE3-CB 4.11Å; W99-K103 HydrophobicContact CH2-CB 4.06Å; W99-K103 HydrophobicContact CH2-CD 4.26Å; W99-K103 HydrophobicContact CH2-CG 3.79Å; W99-K103 HydrophobicContact CZ2-CB 4.44Å; W99-K103 HydrophobicContact CZ2-CG 4.4Å; W99-K103 HydrophobicContact CZ3-CB 3.86Å; W99-K103 HydrophobicContact CZ3-CG 3.91Å; W99-K103 WeakPolarHBondContact O-CB 3.44Å; W99-K103 PolarHBondContact O-N 3.42Å; W100-K103 HydrophobicContact CE3-CG 4.44Å; W100-K103 HydrophobicContact CZ3-CG 4.36Å; K103-A105 VanDerWaalsContact C-N 3.28Å; K103-A105 PolarHBondContact O-N 2.91Å; K103-N106 CarbonylContact O-C 3.59Å; K103-N106 VanDerWaalsContact O-C 3.31Å; K103-N106 PolarHBondContact O-N 3.29Å; K103-F107 HydrophobicContact CD-CD2 4.26Å; K103-F107 WeakPolarHBondContact O-CA 3.45Å; K103-F107 PolarHBondContact O-N 3.42Å; K103-T109 PolarHBondContact NZ-O 2.72Å; K103-L111 HydrophobicContact CB-CD1 4.02Å; K103-M124 HydrophobicContact CD-SD 4.43Å; K103-D125 VanDerWaalsContact CE-OD2 3.3Å; K103-D125 WeakPolarHBondContact CE-OD2 3.33Å; K103-D125 IonicContact NZ-OD1 3.86Å; K103-D125 PolarHBondContact NZ-OD1 3.43Å; K103-D125 IonicContact NZ-OD2 3.77Å; K103-D125 PolarHBondContact NZ-OD2 3.27Å
104	A	97.2	Very high	96.7	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-36.7	174.7	0	0	0	0	0	112.1	T81 L82 V84 W100 Q101 M102	T81-A104 CarbonylContact C-O 3.5Å; T81-A104 VanDerWaalsContact CA-O 3.22Å; T81-A104 WeakPolarHBondContact CA-O 3.38Å; T81-A104 WeakPolarHBondContact CB-O 3.41Å; L82-A104 PolarHBondContact N-O 2.57Å; L82-A104 WeakPolarHBondContact O-CB 3.5Å; V84-A104 HydrophobicContact CG2-CB 3.78Å; W100-A104 WeakPolarHBondContact O-CB 3.23Å; W100-A104 PolarHBondContact O-N 3.04Å; Q101-A104 PolarHBondContact O-N 3.45Å; M102-A104 VanDerWaalsContact C-N 3.34Å
105	A	96.2	Very high	96.8	Very high	54 Å²	54	20.4 Å²	20.4	45%	0.446	11%	0.113	S	C	.	.	H	α-helix	trans	-84.5	-19.7	177.7	0	0	0	0	0	114	H80 Q101 M102 K103	H80-A105 CarbonylContact O-C 3.56Å; Q101-A105 PolarHBondContact O-N 3.02Å; M102-A105 PolarHBondContact O-N 2.8Å; K103-A105 VanDerWaalsContact C-N 3.28Å; K103-A105 PolarHBondContact O-N 2.91Å
106	N	97	Very high	96.9	Very high	17 Å²	17	21 Å²	21	9%	0.091	12%	0.119	C	C	.	.			trans	-137.7	57.8	-174.2	-55.6	-100.2	0	0	0	109.9	H80 M102 K103 D108 T109 I195 I198	H80-N106 CarbonylContact O-C 3.47Å; H80-N106 WeakPolarHBondContact O-CA 3.35Å; M102-N106 WeakPolarHBondContact O-CB 3.37Å; M102-N106 PolarHBondContact O-N 3.49Å; M102-N106 PolarHBondContact O-ND2 3.3Å; K103-N106 CarbonylContact O-C 3.59Å; K103-N106 VanDerWaalsContact O-C 3.31Å; K103-N106 PolarHBondContact O-N 3.29Å; N106-D108 PolarHBondContact O-N 3.48Å; N106-T109 PolarHBondContact O-N 3Å; N106-I195 VanDerWaalsContact ND2-CD1 3.25Å; N106-I195 WeakPolarHBondContact ND2-CD1 3.37Å; N106-I198 WeakPolarHBondContact OD1-CD1 3.38Å
107	F	96.8	Very high	96.9	Very high	11 Å²	11	25.7 Å²	25.7	5%	0.048	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-31	-172.9	-176	-123.4	0	0	0	112.4	F37 L59 I64 H80 L82 K103 T109 M124	F37-F107 HydrophobicContact CB-CE1 4.06Å; F37-F107 HydrophobicContact CB-CZ 4.43Å; F37-F107 WeakPolarHBondContact CD1-O 3.47Å; L59-F107 HydrophobicContact CD2-CE2 4.45Å; I64-F107 HydrophobicContact CD1-CE1 4.17Å; I64-F107 HydrophobicContact CD1-CZ 3.75Å; I64-F107 HydrophobicContact CG2-CE1 4.35Å; H80-F107 PolarHBondContact O-N 2.94Å; L82-F107 HydrophobicContact CB-CB 3.91Å; L82-F107 HydrophobicContact CB-CD1 4.4Å; L82-F107 HydrophobicContact CB-CD2 3.66Å; L82-F107 HydrophobicContact CB-CE2 4.28Å; L82-F107 HydrophobicContact CB-CG 3.74Å; L82-F107 HydrophobicContact CD1-CD2 4.42Å; L82-F107 HydrophobicContact CD1-CE2 4.21Å; L82-F107 HydrophobicContact CD1-CZ 4.35Å; L82-F107 HydrophobicContact CD2-CD2 3.71Å; L82-F107 HydrophobicContact CD2-CE2 3.73Å; L82-F107 HydrophobicContact CG-CD2 4.12Å; L82-F107 HydrophobicContact CG-CE2 4.28Å; K103-F107 HydrophobicContact CD-CD2 4.26Å; K103-F107 WeakPolarHBondContact O-CA 3.45Å; K103-F107 PolarHBondContact O-N 3.42Å; F107-T109 VanDerWaalsContact C-N 3.27Å; F107-T109 PolarHBondContact O-N 3.47Å; F107-M124 HydrophobicContact CE2-CE 4.07Å
108	D	95.3	Very high	96.9	Very high	17 Å²	17	27.7 Å²	27.7	9%	0.091	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	8.1	179.9	74.2	-30.1	0	0	0	114.2	F37 H80 N106 K165	F37-D108 HydrophobicContact CD2-CB 4.21Å; F37-D108 VanDerWaalsContact CE2-CA 3.4Å; F37-D108 HydrophobicContact CE2-CB 3.68Å; F37-D108 HydrophobicContact CZ-CB 4.06Å; F37-D108 WeakPolarHBondContact CZ-O 3.44Å; H80-D108 IonicContact CE1-OD2 2.86Å; H80-D108 PolarHBondContact CE1-OD2 3.41Å; H80-D108 VanDerWaalsContact CE1-OD2 3.26Å; H80-D108 IonicContact CG-OD2 3.81Å; H80-D108 VanDerWaalsContact ND1-CG 3.29Å; H80-D108 IonicContact ND1-OD1 2.76Å; H80-D108 IonicContact ND1-OD2 3.41Å; H80-D108 PolarHBondContact ND1-OD2 3.21Å; N106-D108 PolarHBondContact O-N 3.48Å; D108-K165 WeakPolarHBondContact OD2-CD 3.49Å; D108-K165 VanDerWaalsContact OD2-CE 3.29Å; D108-K165 WeakPolarHBondContact OD2-CE 3.48Å; D108-K165 IonicContact OD2-NZ 2.76Å; D108-K165 PolarHBondContact OD2-NZ 2.92Å
109	T	97.7	Very high	97	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.1	-170.4	-61	0	0	0	0	110.9	K103 N106 F107 L111 K165 A167 I198	K103-T109 PolarHBondContact NZ-O 2.72Å; N106-T109 PolarHBondContact O-N 3Å; F107-T109 VanDerWaalsContact C-N 3.27Å; F107-T109 PolarHBondContact O-N 3.47Å; T109-L111 HydrophobicContact CG2-CD2 4.48Å; T109-L111 PolarHBondContact O-N 3.05Å; T109-K165 HydrophobicContact CG2-CB 4.03Å; T109-A167 HydrophobicContact CG2-CB 3.5Å; T109-I198 HydrophobicContact CG2-CG2 4Å
110	I	98.4	Very high	97.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.2	176.2	-62.2	176.5	0	0	0	108.7	F112 L121 D125 I128 L159 Y164 K165 V166 A167	I110-F112 HydrophobicContact CG2-CD1 4.16Å; I110-F112 HydrophobicContact CG2-CE1 4Å; I110-L121 HydrophobicContact CG2-CD2 3.63Å; I110-D125 HydrophobicContact CG2-CB 4.09Å; I110-I128 HydrophobicContact CD1-CB 4.32Å; I110-I128 HydrophobicContact CD1-CD1 4.28Å; I110-I128 HydrophobicContact CD1-CG2 3.65Å; I110-I128 HydrophobicContact CG1-CD1 4.42Å; I110-L159 HydrophobicContact CD1-CD1 3.86Å; I110-L159 HydrophobicContact CD1-CD2 4.26Å; I110-L159 HydrophobicContact CG2-CD1 4.05Å; I110-Y164 HydrophobicContact CD1-CD1 3.61Å; I110-Y164 HydrophobicContact CD1-CD2 4.34Å; I110-Y164 HydrophobicContact CD1-CE1 4.28Å; I110-Y164 HydrophobicContact CD1-CG 3.64Å; I110-Y164 HydrophobicContact CG1-CD1 4.39Å; I110-K165 PolarHBondContact N-O 3.47Å; I110-V166 WeakPolarHBondContact O-CA 3.18Å; I110-A167 PolarHBondContact O-N 3.14Å
111	L	98.6	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.7	-177.4	-53.7	-174.4	0	0	0	110.1	W99 M102 K103 T109 F113 D125 A167	W99-L111 HydrophobicContact CG-CD1 4.5Å; M102-L111 HydrophobicContact CB-CD1 3.83Å; K103-L111 HydrophobicContact CB-CD1 4.02Å; T109-L111 HydrophobicContact CG2-CD2 4.48Å; T109-L111 PolarHBondContact O-N 3.05Å; L111-F113 PolarHBondContact O-N 2.87Å; L111-D125 PolarHBondContact N-OD2 2.82Å; L111-A167 HydrophobicContact CD2-CB 3.64Å
112	F	98.3	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	94.5	164.1	-72.9	3.6	0	0	0	107.8	I110 Y119 L121 F147 L152 F155 A156 L159 V166 A167 V169	I110-F112 HydrophobicContact CG2-CD1 4.16Å; I110-F112 HydrophobicContact CG2-CE1 4Å; F112-Y119 HydrophobicContact CB-CD1 3.81Å; F112-Y119 HydrophobicContact CB-CG 4.2Å; F112-L121 HydrophobicContact CD1-CD2 3.71Å; F112-L121 HydrophobicContact CD1-CG 4.21Å; F112-L121 HydrophobicContact CE1-CD2 3.69Å; F112-F147 HydrophobicContact CD1-CE1 4.46Å; F112-F147 HydrophobicContact CD1-CZ 4.27Å; F112-F147 HydrophobicContact CD2-CE2 4.44Å; F112-F147 AromaticContact CD2-CZ 3.62Å; F112-F147 HydrophobicContact CD2-CZ 3.62Å; F112-F147 HydrophobicContact CE1-CE1 4.16Å; F112-F147 HydrophobicContact CE1-CZ 4.15Å; F112-F147 HydrophobicContact CE2-CE1 4.19Å; F112-F147 HydrophobicContact CE2-CE2 4.38Å; F112-F147 AromaticContact CE2-CZ 3.45Å; F112-F147 HydrophobicContact CE2-CZ 3.45Å; F112-F147 VanDerWaalsContact CE2-CZ 3.45Å; F112-F147 HydrophobicContact CG-CZ 4.01Å; F112-F147 AromaticContact CZ-CE1 3.98Å; F112-F147 HydrophobicContact CZ-CE1 3.98Å; F112-F147 AromaticContact CZ-CZ 3.73Å; F112-F147 HydrophobicContact CZ-CZ 3.73Å; F112-L152 HydrophobicContact CD2-CD1 3.58Å; F112-L152 HydrophobicContact CE2-CD1 4.05Å; F112-F155 HydrophobicContact CZ-CB 4.43Å; F112-A156 HydrophobicContact CE2-CB 3.83Å; F112-L159 HydrophobicContact CE1-CD1 3.53Å; F112-L159 HydrophobicContact CZ-CD1 3.58Å; F112-V166 HydrophobicContact CD1-CG1 4Å; F112-V166 HydrophobicContact CD2-CG1 3.63Å; F112-V166 HydrophobicContact CE1-CG1 3.97Å; F112-V166 HydrophobicContact CE2-CG1 3.63Å; F112-V166 HydrophobicContact CG-CG1 3.85Å; F112-V166 HydrophobicContact CZ-CG1 3.82Å; F112-A167 PolarHBondContact N-O 2.91Å; F112-V169 PolarHBondContact O-N 3.03Å
113	F	98.2	Very high	97.1	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.4	-170.4	-166.1	-100.3	0	0	0	111.7	Q98 W99 M102 L111 V115 E120 Y122 V169 R193	Q98-F113 HydrophobicContact CB-CZ 4.33Å; W99-F113 HydrophobicContact CB-CD2 4.23Å; W99-F113 HydrophobicContact CB-CE2 3.91Å; W99-F113 HydrophobicContact CB-CZ 4.09Å; W99-F113 AromaticContact CD1-CD2 3.62Å; W99-F113 AromaticContact CD1-CG 3.74Å; W99-F113 HydrophobicContact CG-CD2 4.33Å; W99-F113 HydrophobicContact CG-CE2 4.49Å; M102-F113 HydrophobicContact SD-CD2 4.39Å; M102-F113 HydrophobicContact SD-CE2 4.07Å; L111-F113 PolarHBondContact O-N 2.87Å; F113-V115 HydrophobicContact CD1-CG2 3.78Å; F113-V115 HydrophobicContact CE1-CG2 4.19Å; F113-V115 PolarHBondContact O-N 2.84Å; F113-E120 WeakPolarHBondContact CB-O 3.39Å; F113-E120 PolarHBondContact N-O 2.78Å; F113-E120 PolarHBondContact O-N 3.22Å; F113-Y122 HydrophobicContact CB-CE2 4.46Å; F113-Y122 AromaticContact CD1-CE2 3.77Å; F113-Y122 HydrophobicContact CD1-CE2 3.77Å; F113-Y122 HydrophobicContact CE1-CE2 4.27Å; F113-Y122 HydrophobicContact CG-CE2 4.3Å; F113-V169 HydrophobicContact CD2-CB 4.12Å; F113-V169 HydrophobicContact CD2-CG1 3.69Å; F113-V169 HydrophobicContact CD2-CG2 4.44Å; F113-V169 HydrophobicContact CE2-CG1 3.99Å; F113-R193 VanDerWaalsContact CE1-CD 3.45Å; F113-R193 HydrophobicContact CE2-CB 4.48Å; F113-R193 HydrophobicContact CZ-CG 4.47Å
114	K	97.6	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	122	-176.6	-166.6	75.3	168	-159.2	0	113.3	G116 F118 Y119 E149 V169 Q171 R193	K114-G116 WeakPolarHBondContact CE-O 3.35Å; K114-F118 WeakPolarHBondContact CA-O 3.46Å; K114-Y119 HydrophobicContact CB-CD1 4.37Å; K114-Y119 HydrophobicContact CB-CE1 4.24Å; K114-Y119 HydrophobicContact CD-CD1 3.92Å; K114-Y119 HydrophobicContact CD-CE1 3.6Å; K114-Y119 HydrophobicContact CD-CE2 4.32Å; K114-Y119 HydrophobicContact CD-CG 4.42Å; K114-Y119 PolarHBondContact NZ-OH 3.21Å; K114-E149 WeakPolarHBondContact CE-OE2 2.93Å; K114-E149 VanDerWaalsContact NZ-CB 3.32Å; K114-E149 IonicContact NZ-OE2 3.35Å; K114-E149 PolarHBondContact NZ-OE2 3.29Å; K114-V169 WeakPolarHBondContact CB-O 3.5Å; K114-V169 PolarHBondContact N-O 3.4Å; K114-Q171 HydrophobicContact CB-CG 4.21Å; K114-Q171 HydrophobicContact CG-CG 4.03Å; K114-R193 PolarHBondContact O-NE 3.29Å; K114-R193 PolarHBondContact O-NH2 3.1Å
115	V	95.8	Very high	97	Very high	43 Å²	43	22.6 Å²	22.6	26%	0.261	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	99.2	172.3	-173.2	0	0	0	0	109.2	F113 K117 F118 E120	F113-V115 HydrophobicContact CD1-CG2 3.78Å; F113-V115 HydrophobicContact CE1-CG2 4.19Å; F113-V115 PolarHBondContact O-N 2.84Å; V115-K117 PolarHBondContact O-N 3.07Å; V115-F118 PolarHBondContact N-O 3.36Å; V115-F118 PolarHBondContact O-N 3.01Å; V115-E120 HydrophobicContact CB-CG 4.11Å; V115-E120 HydrophobicContact CG2-CB 4.24Å; V115-E120 HydrophobicContact CG2-CG 4.1Å
116	G	93.2	Very high	97	Very high	29 Å²	29	20 Å²	20	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-128.3	-171.5	0	0	0	0	0	110.2	K114 F118 F499	K114-G116 WeakPolarHBondContact CE-O 3.35Å; G116-F118 VanDerWaalsContact C-N 3.26Å; G116-F118 PolarHBondContact O-N 3.15Å; G116-F499 VanDerWaalsContact C-CE2 3.43Å; G116-F499 WeakPolarHBondContact O-CE2 3.49Å
117	K	94.7	Very high	97	Very high	123 Å²	123	20.2 Å²	20.2	54%	0.535	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.2	-179.7	-67.1	-171.6	174.6	-168.2	0	114.6	V115 E149 F499	V115-K117 PolarHBondContact O-N 3.07Å; K117-E149 WeakPolarHBondContact O-CB 3.37Å; K117-E149 PolarHBondContact O-N 3.43Å; K117-F499 HydrophobicContact CD-CB 4.49Å; K117-F499 HydrophobicContact CD-CD1 4.36Å; K117-F499 HydrophobicContact CG-CB 3.97Å; K117-F499 HydrophobicContact CG-CD1 3.66Å; K117-F499 HydrophobicContact CG-CD2 4.18Å; K117-F499 HydrophobicContact CG-CE1 4.14Å; K117-F499 HydrophobicContact CG-CG 3.67Å
118	F	97.3	Very high	97	Very high	103 Å²	103	20.8 Å²	20.8	45%	0.452	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.1	-174.2	-67.8	-95.5	0	0	0	111.6	K114 V115 G116 F147 P148	K114-F118 WeakPolarHBondContact CA-O 3.46Å; V115-F118 PolarHBondContact N-O 3.36Å; V115-F118 PolarHBondContact O-N 3.01Å; G116-F118 VanDerWaalsContact C-N 3.26Å; G116-F118 PolarHBondContact O-N 3.15Å; F118-F147 CarbonylContact C-O 3.54Å; F118-F147 WeakPolarHBondContact CA-O 3.42Å; F118-P148 HydrophobicContact CD1-CB 4.37Å; F118-P148 HydrophobicContact CE1-CB 4.19Å
119	Y	98.2	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.2	157.6	-67.6	-77.6	0	0	0	108	F112 K114 G146 F147 E149 L152 R168 E170	F112-Y119 HydrophobicContact CB-CD1 3.81Å; F112-Y119 HydrophobicContact CB-CG 4.2Å; K114-Y119 HydrophobicContact CB-CD1 4.37Å; K114-Y119 HydrophobicContact CB-CE1 4.24Å; K114-Y119 HydrophobicContact CD-CD1 3.92Å; K114-Y119 HydrophobicContact CD-CE1 3.6Å; K114-Y119 HydrophobicContact CD-CE2 4.32Å; K114-Y119 HydrophobicContact CD-CG 4.42Å; K114-Y119 PolarHBondContact NZ-OH 3.21Å; Y119-G146 CarbonylContact O-C 3.5Å; Y119-G146 WeakPolarHBondContact O-CA 3.32Å; Y119-F147 HydrophobicContact CD2-CD2 4.29Å; Y119-F147 AromaticContact CD2-CE2 3.68Å; Y119-F147 HydrophobicContact CD2-CE2 3.68Å; Y119-F147 HydrophobicContact CD2-CZ 4.43Å; Y119-F147 HydrophobicContact CG-CE2 4.02Å; Y119-F147 HydrophobicContact CG-CZ 4.38Å; Y119-F147 PolarHBondContact N-O 2.82Å; Y119-F147 PolarHBondContact O-N 2.67Å; Y119-E149 HydrophobicContact CE2-CB 4.33Å; Y119-E149 HydrophobicContact CE2-CG 4.36Å; Y119-L152 HydrophobicContact CD2-CB 4.37Å; Y119-L152 HydrophobicContact CD2-CD1 4.08Å; Y119-L152 HydrophobicContact CE1-CD1 4.49Å; Y119-L152 HydrophobicContact CE2-CB 3.85Å; Y119-L152 HydrophobicContact CE2-CD1 3.74Å; Y119-L152 HydrophobicContact CE2-CD2 4.02Å; Y119-L152 HydrophobicContact CE2-CG 4.07Å; Y119-R168 HydrophobicContact CE1-CG 4.03Å; Y119-E170 PolarHBondContact OH-OE1 2.68Å
120	E	97.8	Very high	96.9	Very high	31 Å²	31	20.4 Å²	20.4	15%	0.145	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	147.6	176.2	-65.4	-175	-171.9	0	0	109.6	F113 V115 Y122 H144	F113-E120 WeakPolarHBondContact CB-O 3.39Å; F113-E120 PolarHBondContact N-O 2.78Å; F113-E120 PolarHBondContact O-N 3.22Å; V115-E120 HydrophobicContact CB-CG 4.11Å; V115-E120 HydrophobicContact CG2-CB 4.24Å; V115-E120 HydrophobicContact CG2-CG 4.1Å; E120-Y122 HydrophobicContact CB-CE1 4.01Å; E120-Y122 WeakPolarHBondContact OE2-CE1 3.33Å; E120-Y122 VanDerWaalsContact OE2-CZ 3.31Å; E120-Y122 PolarHBondContact OE2-OH 2.93Å; E120-H144 VanDerWaalsContact CD-NE2 3.33Å; E120-H144 IonicContact OE2-CE1 2.76Å; E120-H144 PolarHBondContact OE2-CE1 3.12Å; E120-H144 IonicContact OE2-NE2 3.74Å; E120-H144 PolarHBondContact OE2-NE2 2.88Å; E120-H144 VanDerWaalsContact OE2-NE2 3.12Å
121	L	98.4	Very high	96.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.6	173.9	-57.7	99.9	0	0	0	108.6	I110 F112 D125 A126 A129 L135 H144 C145 F147	I110-L121 HydrophobicContact CG2-CD2 3.63Å; F112-L121 HydrophobicContact CD1-CD2 3.71Å; F112-L121 HydrophobicContact CD1-CG 4.21Å; F112-L121 HydrophobicContact CE1-CD2 3.69Å; L121-D125 HydrophobicContact CB-CB 4.06Å; L121-D125 HydrophobicContact CD2-CB 4.09Å; L121-A126 HydrophobicContact CB-CB 4.38Å; L121-A126 WeakPolarHBondContact O-CB 3.44Å; L121-A129 HydrophobicContact CD1-CB 4.1Å; L121-A129 HydrophobicContact CD2-CB 3.61Å; L121-A129 HydrophobicContact CG-CB 4.33Å; L121-L135 HydrophobicContact CD1-CD1 4.42Å; L121-H144 WeakPolarHBondContact O-CA 3.36Å; L121-H144 PolarHBondContact O-CD2 2.97Å; L121-C145 PolarHBondContact N-O 3.37Å; L121-C145 PolarHBondContact O-N 2.89Å; L121-F147 HydrophobicContact CD1-CD1 4.17Å; L121-F147 HydrophobicContact CD1-CE1 3.83Å
122	Y	97.5	Very high	96.6	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.1	-176.7	-54.4	-54	0	0	0	112	W99 F113 E120 M124 D125 Y142 H144	W99-Y122 HydrophobicContact CB-CD2 4.3Å; W99-Y122 AromaticContact CD1-CD2 3.49Å; W99-Y122 VanDerWaalsContact CD1-CD2 3.49Å; W99-Y122 HydrophobicContact CD2-CD2 4.02Å; W99-Y122 AromaticContact CG-CD2 3.68Å; W99-Y122 HydrophobicContact CG-CD2 3.68Å; W99-Y122 HydrophobicContact CG-CE2 4.3Å; W99-Y122 WeakPolarHBondContact CZ2-O 3.42Å; W99-Y122 AromaticContact NE1-CD2 3.68Å; F113-Y122 HydrophobicContact CB-CE2 4.46Å; F113-Y122 AromaticContact CD1-CE2 3.77Å; F113-Y122 HydrophobicContact CD1-CE2 3.77Å; F113-Y122 HydrophobicContact CE1-CE2 4.27Å; F113-Y122 HydrophobicContact CG-CE2 4.3Å; E120-Y122 HydrophobicContact CB-CE1 4.01Å; E120-Y122 WeakPolarHBondContact OE2-CE1 3.33Å; E120-Y122 VanDerWaalsContact OE2-CZ 3.31Å; E120-Y122 PolarHBondContact OE2-OH 2.93Å; Y122-M124 PolarHBondContact O-N 3.39Å; Y122-D125 WeakPolarHBondContact O-CB 3.33Å; Y122-D125 PolarHBondContact O-N 3.47Å; Y122-D125 VanDerWaalsContact O-N 3.08Å; Y122-Y142 AromaticContact CD1-CE2 3.83Å; Y122-Y142 HydrophobicContact CD1-CE2 3.83Å; Y122-Y142 HydrophobicContact CE1-CE2 4.32Å; Y122-H144 HydrophobicContact CD1-CB 4.41Å; Y122-H144 AromaticContact CD1-CD2 3.55Å; Y122-H144 AromaticContact CD1-CG 3.98Å; Y122-H144 AromaticContact CE1-CD2 3.43Å; Y122-H144 VanDerWaalsContact CE1-CD2 3.43Å; Y122-H144 WeakPolarHBondContact CE1-CD2 3.4Å; Y122-H144 AromaticContact CE1-CE1 4Å; Y122-H144 AromaticContact CE1-CG 3.99Å; Y122-H144 AromaticContact CE1-NE2 3.48Å; Y122-H144 WeakPolarHBondContact CE1-NE2 3.45Å
123	H	96.4	Very high	96.5	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.028	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-121.9	170.7	-53	-50.4	0	0	0	112.4	H53 W99 W100 D125 A126 V127 Y142 A143	H53-H123 HydrophobicContact CB-CB 3.84Å; W99-H123 HydrophobicContact CH2-CB 4.14Å; W99-H123 AromaticContact CH2-CD2 3.83Å; W99-H123 AromaticContact CZ3-CD2 3.56Å; W100-H123 AromaticContact CE2-CD2 3.78Å; W100-H123 AromaticContact CE2-NE2 3.83Å; W100-H123 AromaticContact CH2-CD2 3.99Å; W100-H123 AromaticContact CZ2-CD2 3.25Å; W100-H123 WeakPolarHBondContact CZ2-CD2 3.31Å; W100-H123 AromaticContact CZ2-CG 3.99Å; W100-H123 AromaticContact CZ2-NE2 3.54Å; W100-H123 AromaticContact NE1-CD2 4Å; W100-H123 AromaticContact NE1-NE2 3.62Å; H123-D125 PolarHBondContact O-N 3.38Å; H123-A126 WeakPolarHBondContact O-CB 3.37Å; H123-A126 PolarHBondContact O-N 2.83Å; H123-V127 WeakPolarHBondContact O-CG2 3.44Å; H123-V127 PolarHBondContact O-N 3.44Å; H123-Y142 AromaticContact CE1-CD2 3.89Å; H123-A143 PolarHBondContact N-O 2.69Å
124	M	95.6	Very high	96.3	Very high	20 Å²	20	35.9 Å²	35.9	10%	0.099	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-33.7	-179.5	56.3	-80.4	-76.7	0	0	112.7	L59 W99 W100 K103 F107 Y122 V127 I128	L59-M124 HydrophobicContact CD1-CE 4.04Å; L59-M124 HydrophobicContact CD2-CE 4Å; W99-M124 HydrophobicContact CH2-SD 3.71Å; W100-M124 HydrophobicContact CH2-CE 4.44Å; K103-M124 HydrophobicContact CD-SD 4.43Å; F107-M124 HydrophobicContact CE2-CE 4.07Å; Y122-M124 PolarHBondContact O-N 3.39Å; M124-V127 PolarHBondContact O-N 3.25Å; M124-I128 WeakPolarHBondContact O-CG1 3.3Å; M124-I128 PolarHBondContact O-N 2.94Å; M124-I128 VanDerWaalsContact O-N 3.13Å
125	D	97.6	Very high	96.2	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-69.3	-40	-179.6	-65	-7.7	0	0	0	110.6	K103 I110 L111 L121 Y122 H123 V127 I128 A129	K103-D125 VanDerWaalsContact CE-OD2 3.3Å; K103-D125 WeakPolarHBondContact CE-OD2 3.33Å; K103-D125 IonicContact NZ-OD1 3.86Å; K103-D125 PolarHBondContact NZ-OD1 3.43Å; K103-D125 IonicContact NZ-OD2 3.77Å; K103-D125 PolarHBondContact NZ-OD2 3.27Å; I110-D125 HydrophobicContact CG2-CB 4.09Å; L111-D125 PolarHBondContact N-OD2 2.82Å; L121-D125 HydrophobicContact CB-CB 4.06Å; L121-D125 HydrophobicContact CD2-CB 4.09Å; Y122-D125 WeakPolarHBondContact O-CB 3.33Å; Y122-D125 PolarHBondContact O-N 3.47Å; Y122-D125 VanDerWaalsContact O-N 3.08Å; H123-D125 PolarHBondContact O-N 3.38Å; D125-V127 VanDerWaalsContact C-N 3.31Å; D125-V127 PolarHBondContact O-N 2.87Å; D125-I128 PolarHBondContact O-N 2.99Å; D125-A129 VanDerWaalsContact O-CB 3.28Å; D125-A129 WeakPolarHBondContact O-CB 3.28Å; D125-A129 PolarHBondContact O-N 3.37Å
126	A	97.4	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-38.5	176.4	0	0	0	0	0	111.8	L121 H123 A129 A130 Y137 A143	L121-A126 HydrophobicContact CB-CB 4.38Å; L121-A126 WeakPolarHBondContact O-CB 3.44Å; H123-A126 WeakPolarHBondContact O-CB 3.37Å; H123-A126 PolarHBondContact O-N 2.83Å; A126-A129 PolarHBondContact O-N 2.93Å; A126-A130 VanDerWaalsContact O-CB 3.22Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.84Å; A126-Y137 HydrophobicContact CB-CE1 4.43Å; A126-A143 HydrophobicContact CB-CB 3.91Å; A126-A143 WeakPolarHBondContact CB-O 3.27Å
127	V	96.5	Very high	96.2	Very high	21 Å²	21	44 Å²	44	13%	0.127	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-44.8	178.2	178.1	0	0	0	0	111	L39 F51 H123 M124 D125 K131 Y137 A143	L39-V127 HydrophobicContact CD1-CB 4.3Å; L39-V127 HydrophobicContact CD1-CG1 3.68Å; L39-V127 HydrophobicContact CD2-CG1 4.47Å; F51-V127 HydrophobicContact CD2-CG2 4.03Å; F51-V127 HydrophobicContact CE2-CG2 3.97Å; H123-V127 WeakPolarHBondContact O-CG2 3.44Å; H123-V127 PolarHBondContact O-N 3.44Å; M124-V127 PolarHBondContact O-N 3.25Å; D125-V127 VanDerWaalsContact C-N 3.31Å; D125-V127 PolarHBondContact O-N 2.87Å; V127-K131 WeakPolarHBondContact O-CB 3.4Å; V127-K131 PolarHBondContact O-N 3.44Å; V127-Y137 WeakPolarHBondContact CA-OH 3.36Å; V127-A143 HydrophobicContact CG2-CB 3.92Å
128	I	96.3	Very high	96.2	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.118	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-46.9	176.7	-64.6	165.8	0	0	0	110.3	I110 M124 D125 K131 C132 L159 Y164	I110-I128 HydrophobicContact CD1-CB 4.32Å; I110-I128 HydrophobicContact CD1-CD1 4.28Å; I110-I128 HydrophobicContact CD1-CG2 3.65Å; I110-I128 HydrophobicContact CG1-CD1 4.42Å; M124-I128 WeakPolarHBondContact O-CG1 3.3Å; M124-I128 PolarHBondContact O-N 2.94Å; M124-I128 VanDerWaalsContact O-N 3.13Å; D125-I128 PolarHBondContact O-N 2.99Å; I128-K131 PolarHBondContact O-N 2.99Å; I128-C132 VanDerWaalsContact O-CB 3.28Å; I128-C132 WeakPolarHBondContact O-CB 3.49Å; I128-C132 PolarHBondContact O-N 2.86Å; I128-C132 PolarHBondContact O-SG 2.95Å; I128-L159 HydrophobicContact CG2-CD2 4.36Å; I128-Y164 HydrophobicContact CD1-CE1 4.15Å; I128-Y164 HydrophobicContact CG2-CD1 4.41Å; I128-Y164 HydrophobicContact CG2-CE1 3.86Å; I128-Y164 HydrophobicContact CG2-CE2 3.99Å
129	A	96.3	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-41.4	-178.4	0	0	0	0	0	112.6	L121 D125 A126 K131 C132 L133 L135	L121-A129 HydrophobicContact CD1-CB 4.1Å; L121-A129 HydrophobicContact CD2-CB 3.61Å; L121-A129 HydrophobicContact CG-CB 4.33Å; D125-A129 VanDerWaalsContact O-CB 3.28Å; D125-A129 WeakPolarHBondContact O-CB 3.28Å; D125-A129 PolarHBondContact O-N 3.37Å; A126-A129 PolarHBondContact O-N 2.93Å; A129-K131 VanDerWaalsContact C-N 3.3Å; A129-K131 PolarHBondContact O-N 2.94Å; A129-C132 PolarHBondContact O-N 3.09Å; A129-L133 HydrophobicContact CB-CD1 4.03Å; A129-L133 WeakPolarHBondContact O-CA 3.46Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 PolarHBondContact O-N 3.31Å; A129-L135 HydrophobicContact CB-CD1 4.18Å
130	A	95.4	Very high	95.2	Very high	13 Å²	13	50.9 Å²	50.9	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-45.3	174.8	0	0	0	0	0	111.2	A126 N134 L135 Y137	A126-A130 VanDerWaalsContact O-CB 3.22Å; A126-A130 WeakPolarHBondContact O-CB 3.34Å; A126-A130 PolarHBondContact O-N 2.84Å; A130-N134 VanDerWaalsContact O-CA 3.31Å; A130-N134 WeakPolarHBondContact O-CA 3.35Å; A130-N134 PolarHBondContact O-N 2.8Å; A130-L135 WeakPolarHBondContact CA-O 3.39Å; A130-L135 WeakPolarHBondContact CB-O 2.97Å; A130-L135 PolarHBondContact O-N 3.21Å; A130-Y137 HydrophobicContact CB-CD1 4.42Å; A130-Y137 HydrophobicContact CB-CE1 3.72Å; A130-Y137 HydrophobicContact CB-CE2 3.94Å; A130-Y137 VanDerWaalsContact CB-CZ 3.44Å
131	K	95.3	Very high	94.6	Very high	165 Å²	165	54.1 Å²	54.1	72%	0.717	28%	0.282	S	S	*	.	H	α-helix	trans	-70.2	-45.9	178.9	-176.1	178.5	179.7	178.6	0	113.4	V127 I128 A129	V127-K131 WeakPolarHBondContact O-CB 3.4Å; V127-K131 PolarHBondContact O-N 3.44Å; I128-K131 PolarHBondContact O-N 2.99Å; A129-K131 VanDerWaalsContact C-N 3.3Å; A129-K131 PolarHBondContact O-N 2.94Å
132	C	95.3	Very high	94.3	Very high	18 Å²	18	56.5 Å²	56.5	12%	0.122	29%	0.291	C	S	.	.	H	α-helix	trans	-86.9	-26.2	-170.9	-61.8	0	0	0	0	113.1	I128 A129 L159	I128-C132 VanDerWaalsContact O-CB 3.28Å; I128-C132 WeakPolarHBondContact O-CB 3.49Å; I128-C132 PolarHBondContact O-N 2.86Å; I128-C132 PolarHBondContact O-SG 2.95Å; A129-C132 PolarHBondContact O-N 3.09Å; C132-L159 HydrophobicContact CB-CD2 3.81Å
133	L	95.8	Very high	94.2	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-113.3	-1.3	-173.5	-50.6	179.6	0	0	0	113.2	A129 L135 F155 R158 L159	A129-L133 HydrophobicContact CB-CD1 4.03Å; A129-L133 WeakPolarHBondContact O-CA 3.46Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 PolarHBondContact O-N 3.31Å; L133-L135 VanDerWaalsContact C-N 3.29Å; L133-L135 HydrophobicContact CB-CD1 4.24Å; L133-L135 HydrophobicContact CB-CG 4Å; L133-L135 HydrophobicContact CD1-CD1 4.22Å; L133-L135 PolarHBondContact O-N 3.34Å; L133-F155 HydrophobicContact CB-CD1 3.82Å; L133-F155 HydrophobicContact CB-CE1 4.01Å; L133-F155 HydrophobicContact CD1-CB 3.95Å; L133-F155 HydrophobicContact CD1-CD1 3.83Å; L133-F155 HydrophobicContact CD1-CG 4.17Å; L133-F155 HydrophobicContact CD2-CD1 4.08Å; L133-F155 HydrophobicContact CG-CD1 4.13Å; L133-R158 HydrophobicContact CD2-CB 3.54Å; L133-R158 HydrophobicContact CD2-CG 4.49Å; L133-L159 HydrophobicContact CD1-CD1 4.12Å; L133-L159 HydrophobicContact CD1-CD2 4.27Å; L133-L159 HydrophobicContact CD1-CG 4.1Å; L133-L159 HydrophobicContact CD2-CD2 3.92Å; L133-L159 HydrophobicContact CD2-CG 3.97Å; L133-L159 HydrophobicContact CG-CD2 4.04Å; L133-L159 HydrophobicContact CG-CG 4.28Å
134	N	94.2	Very high	94.2	Very high	140 Å²	140	56.5 Å²	56.5	75%	0.749	29%	0.292	S	S	*	.			trans	53.8	43.9	-174.1	-68.6	-7.1	0	0	0	112.5	A130	A130-N134 VanDerWaalsContact O-CA 3.31Å; A130-N134 WeakPolarHBondContact O-CA 3.35Å; A130-N134 PolarHBondContact O-N 2.8Å
135	L	95.4	Very high	94.3	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.141	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-87.1	144.5	172.8	-64	174.9	0	0	0	110.4	L121 A129 A130 L133 C145 F147 F155	L121-L135 HydrophobicContact CD1-CD1 4.42Å; A129-L135 HydrophobicContact CB-CD1 4.18Å; A130-L135 WeakPolarHBondContact CA-O 3.39Å; A130-L135 WeakPolarHBondContact CB-O 2.97Å; A130-L135 PolarHBondContact O-N 3.21Å; L133-L135 VanDerWaalsContact C-N 3.29Å; L133-L135 HydrophobicContact CB-CD1 4.24Å; L133-L135 HydrophobicContact CB-CG 4Å; L133-L135 HydrophobicContact CD1-CD1 4.22Å; L133-L135 PolarHBondContact O-N 3.34Å; L135-C145 HydrophobicContact CB-CB 4.08Å; L135-F147 HydrophobicContact CD1-CD1 3.86Å; L135-F155 HydrophobicContact CD2-CE1 4.09Å; L135-F155 HydrophobicContact CD2-CE2 4.35Å; L135-F155 HydrophobicContact CD2-CZ 3.76Å
136	T	94.4	Very high	94.3	Very high	124 Å²	124	56.6 Å²	56.6	76%	0.761	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-85	144	175	49.4	0	0	0	0	111	C145	T136-C145 VanDerWaalsContact O-CB 3.31Å; T136-C145 WeakPolarHBondContact O-CB 3.39Å
137	Y	95.2	Very high	94.3	Very high	90 Å²	90	56.8 Å²	56.8	35%	0.353	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-71.3	137.3	172.4	-65.7	-68.2	0	0	0	110.7	F51 A126 V127 A130 A143 H144	F51-Y137 HydrophobicContact CE1-CD1 4.43Å; F51-Y137 HydrophobicContact CE1-CE1 4.42Å; F51-Y137 HydrophobicContact CE2-CE1 4.35Å; F51-Y137 HydrophobicContact CE2-CE2 4.42Å; F51-Y137 AromaticContact CE2-CZ 3.98Å; F51-Y137 HydrophobicContact CZ-CD1 4.13Å; F51-Y137 HydrophobicContact CZ-CD2 4.1Å; F51-Y137 AromaticContact CZ-CE1 3.77Å; F51-Y137 HydrophobicContact CZ-CE1 3.77Å; F51-Y137 AromaticContact CZ-CE2 3.74Å; F51-Y137 HydrophobicContact CZ-CE2 3.74Å; F51-Y137 HydrophobicContact CZ-CG 4.27Å; F51-Y137 AromaticContact CZ-CZ 3.55Å; A126-Y137 HydrophobicContact CB-CE1 4.43Å; V127-Y137 WeakPolarHBondContact CA-OH 3.36Å; A130-Y137 HydrophobicContact CB-CD1 4.42Å; A130-Y137 HydrophobicContact CB-CE1 3.72Å; A130-Y137 HydrophobicContact CB-CE2 3.94Å; A130-Y137 VanDerWaalsContact CB-CZ 3.44Å; Y137-A143 HydrophobicContact CE1-CB 4.14Å; Y137-H144 CarbonylContact C-O 3.57Å; Y137-H144 WeakPolarHBondContact CA-O 3.49Å
138	M	93.6	Very high	94.3	Very high	98 Å²	98	58.4 Å²	58.4	48%	0.483	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.8	155.7	170.1	-62.2	-179.3	77	0	0	110.1	G140 H144	M138-G140 PolarHBondContact O-N 3.04Å; M138-H144 PolarHBondContact N-O 3.43Å; M138-H144 PolarHBondContact SD-CE1 2.73Å
139	K	88.5	Confident	94.3	Very high	221 Å²	221	57.4 Å²	57.4	96%	0.961	31%	0.305	S	S	*	.	S	Bend	trans	-65.2	124.1	178.7	-168.1	178	-178.5	179.9	0	110
140	G	86.4	Confident	94.1	Very high	53 Å²	53	59.8 Å²	59.8	55%	0.546	32%	0.321	S	S	.	.	S	Bend	trans	171.7	171	179.3	0	0	0	0	0	112.6	M138 Y142	M138-G140 PolarHBondContact O-N 3.04Å; G140-Y142 VanDerWaalsContact C-N 3.32Å
141	D	85.3	Confident	94.1	Very high	99 Å²	99	59.7 Å²	59.7	53%	0.529	32%	0.321	S	S	.	.	S	Bend	trans	-82.2	-7.8	177.7	52.4	-48.3	0	0	0	113.3	R52	R52-D141 WeakPolarHBondContact CB-O 2.99Å; R52-D141 IonicContact CZ-OD2 3.43Å; R52-D141 PolarHBondContact N-O 3.02Å; R52-D141 IonicContact NH1-OD2 2.65Å; R52-D141 PolarHBondContact NH1-OD2 3.29Å
142	Y	91	Very high	94.1	Very high	50 Å²	50	52.2 Å²	52.2	20%	0.196	29%	0.289	C	S	.	.	S	Bend	trans	-128.1	156.5	177.1	62	-85.5	0	0	0	111.6	H96 Y122 H123 G140 H144	H96-Y142 AromaticContact CE1-CZ 3.89Å; H96-Y142 PolarHBondContact CE1-OH 3.48Å; H96-Y142 AromaticContact NE2-CE2 3.61Å; H96-Y142 AromaticContact NE2-CZ 3.59Å; Y122-Y142 AromaticContact CD1-CE2 3.83Å; Y122-Y142 HydrophobicContact CD1-CE2 3.83Å; Y122-Y142 HydrophobicContact CE1-CE2 4.32Å; H123-Y142 AromaticContact CE1-CD2 3.89Å; G140-Y142 VanDerWaalsContact C-N 3.32Å; Y142-H144 HydrophobicContact CD2-CB 4.02Å; Y142-H144 HydrophobicContact CE2-CB 3.72Å; Y142-H144 PolarHBondContact O-N 3.14Å
143	A	95.8	Very high	94	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.295	C	S	.	.			trans	-63.1	119.9	175.5	0	0	0	0	0	109.9	F51 H123 A126 V127 Y137	F51-A143 HydrophobicContact CB-CB 4.23Å; F51-A143 HydrophobicContact CD1-CB 3.63Å; F51-A143 HydrophobicContact CD2-CB 3.91Å; F51-A143 HydrophobicContact CE1-CB 3.82Å; F51-A143 HydrophobicContact CE2-CB 4.1Å; F51-A143 HydrophobicContact CG-CB 3.67Å; F51-A143 HydrophobicContact CZ-CB 4.04Å; H123-A143 PolarHBondContact N-O 2.69Å; A126-A143 HydrophobicContact CB-CB 3.91Å; A126-A143 WeakPolarHBondContact CB-O 3.27Å; V127-A143 HydrophobicContact CG2-CB 3.92Å; Y137-A143 HydrophobicContact CE1-CB 4.14Å
144	H	97	Very high	94	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.083	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	129.4	-178.2	178.5	-156.6	0	0	0	109.5	E120 L121 Y122 Y137 M138 Y142	E120-H144 VanDerWaalsContact CD-NE2 3.33Å; E120-H144 IonicContact OE2-CE1 2.76Å; E120-H144 PolarHBondContact OE2-CE1 3.12Å; E120-H144 IonicContact OE2-NE2 3.74Å; E120-H144 PolarHBondContact OE2-NE2 2.88Å; E120-H144 VanDerWaalsContact OE2-NE2 3.12Å; L121-H144 WeakPolarHBondContact O-CA 3.36Å; L121-H144 PolarHBondContact O-CD2 2.97Å; Y122-H144 HydrophobicContact CD1-CB 4.41Å; Y122-H144 AromaticContact CD1-CD2 3.55Å; Y122-H144 AromaticContact CD1-CG 3.98Å; Y122-H144 AromaticContact CE1-CD2 3.43Å; Y122-H144 VanDerWaalsContact CE1-CD2 3.43Å; Y122-H144 WeakPolarHBondContact CE1-CD2 3.4Å; Y122-H144 AromaticContact CE1-CE1 4Å; Y122-H144 AromaticContact CE1-CG 3.99Å; Y122-H144 AromaticContact CE1-NE2 3.48Å; Y122-H144 WeakPolarHBondContact CE1-NE2 3.45Å; Y137-H144 CarbonylContact C-O 3.57Å; Y137-H144 WeakPolarHBondContact CA-O 3.49Å; M138-H144 PolarHBondContact N-O 3.43Å; M138-H144 PolarHBondContact SD-CE1 2.73Å; Y142-H144 HydrophobicContact CD2-CB 4.02Å; Y142-H144 HydrophobicContact CE2-CB 3.72Å; Y142-H144 PolarHBondContact O-N 3.14Å
145	C	97.4	Very high	94.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	170.4	168.8	64.7	0	0	0	0	109.6	L121 L135 T136	L121-C145 PolarHBondContact N-O 3.37Å; L121-C145 PolarHBondContact O-N 2.89Å; L135-C145 HydrophobicContact CB-CB 4.08Å; T136-C145 VanDerWaalsContact O-CB 3.31Å; T136-C145 WeakPolarHBondContact O-CB 3.39Å
146	G	97	Very high	94.1	Very high	24 Å²	24	52.9 Å²	52.9	25%	0.247	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	172.1	179.6	0	0	0	0	0	113.3	Y119	Y119-G146 CarbonylContact O-C 3.5Å; Y119-G146 WeakPolarHBondContact O-CA 3.32Å
147	F	97.8	Very high	94	Very high	4 Å²	4	48 Å²	48	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156	179	55.8	-99.2	0	0	0	111.3	F112 F118 Y119 L121 L135 A151 F155	F112-F147 HydrophobicContact CD1-CE1 4.46Å; F112-F147 HydrophobicContact CD1-CZ 4.27Å; F112-F147 HydrophobicContact CD2-CE2 4.44Å; F112-F147 AromaticContact CD2-CZ 3.62Å; F112-F147 HydrophobicContact CD2-CZ 3.62Å; F112-F147 HydrophobicContact CE1-CE1 4.16Å; F112-F147 HydrophobicContact CE1-CZ 4.15Å; F112-F147 HydrophobicContact CE2-CE1 4.19Å; F112-F147 HydrophobicContact CE2-CE2 4.38Å; F112-F147 AromaticContact CE2-CZ 3.45Å; F112-F147 HydrophobicContact CE2-CZ 3.45Å; F112-F147 VanDerWaalsContact CE2-CZ 3.45Å; F112-F147 HydrophobicContact CG-CZ 4.01Å; F112-F147 AromaticContact CZ-CE1 3.98Å; F112-F147 HydrophobicContact CZ-CE1 3.98Å; F112-F147 AromaticContact CZ-CZ 3.73Å; F112-F147 HydrophobicContact CZ-CZ 3.73Å; F118-F147 CarbonylContact C-O 3.54Å; F118-F147 WeakPolarHBondContact CA-O 3.42Å; Y119-F147 HydrophobicContact CD2-CD2 4.29Å; Y119-F147 AromaticContact CD2-CE2 3.68Å; Y119-F147 HydrophobicContact CD2-CE2 3.68Å; Y119-F147 HydrophobicContact CD2-CZ 4.43Å; Y119-F147 HydrophobicContact CG-CE2 4.02Å; Y119-F147 HydrophobicContact CG-CZ 4.38Å; Y119-F147 PolarHBondContact N-O 2.82Å; Y119-F147 PolarHBondContact O-N 2.67Å; L121-F147 HydrophobicContact CD1-CD1 4.17Å; L121-F147 HydrophobicContact CD1-CE1 3.83Å; L135-F147 HydrophobicContact CD1-CD1 3.86Å; F147-A151 HydrophobicContact CD2-CB 4.35Å; F147-F155 HydrophobicContact CB-CD2 3.66Å; F147-F155 HydrophobicContact CB-CE2 3.41Å; F147-F155 VanDerWaalsContact CB-CE2 3.41Å; F147-F155 HydrophobicContact CB-CZ 4.38Å; F147-F155 HydrophobicContact CD1-CB 4.26Å; F147-F155 AromaticContact CD1-CD2 3.6Å; F147-F155 HydrophobicContact CD1-CD2 3.6Å; F147-F155 HydrophobicContact CD1-CE2 4.1Å; F147-F155 HydrophobicContact CD1-CG 4.04Å; F147-F155 AromaticContact CD2-CD2 3.52Å; F147-F155 HydrophobicContact CD2-CD2 3.52Å; F147-F155 HydrophobicContact CD2-CE2 4.15Å; F147-F155 HydrophobicContact CD2-CG 4.44Å; F147-F155 HydrophobicContact CE1-CB 3.87Å; F147-F155 HydrophobicContact CE1-CD2 4.07Å; F147-F155 HydrophobicContact CE1-CG 4.17Å; F147-F155 HydrophobicContact CE2-CB 4.22Å; F147-F155 HydrophobicContact CE2-CD2 4.03Å; F147-F155 AromaticContact CG-CD2 3.3Å; F147-F155 HydrophobicContact CG-CD2 3.3Å; F147-F155 AromaticContact CG-CE2 3.64Å; F147-F155 HydrophobicContact CG-CE2 3.64Å; F147-F155 HydrophobicContact CG-CG 4.18Å; F147-F155 HydrophobicContact CZ-CB 3.88Å; F147-F155 HydrophobicContact CZ-CD2 4.29Å; F147-F155 HydrophobicContact CZ-CG 4.47Å
148	P	97.1	Very high	94	Very high	54 Å²	54	48.5 Å²	48.5	35%	0.351	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	153.2	-179.1	28.5	-36.3	0	0	0	112.5	F118 S150 A151	F118-P148 HydrophobicContact CD1-CB 4.37Å; F118-P148 HydrophobicContact CE1-CB 4.19Å; P148-S150 PolarHBondContact O-N 2.96Å; P148-S150 VanDerWaalsContact O-N 3.09Å; P148-A151 HydrophobicContact CG-CB 4.31Å; P148-A151 PolarHBondContact O-N 2.78Å
149	E	96.4	Very high	94.1	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.014	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-47.7	-39.2	176.9	176.9	171.6	152.9	0	0	113.7	K114 K117 Y119 A151 L152 F499 E500 Y504	K114-E149 WeakPolarHBondContact CE-OE2 2.93Å; K114-E149 VanDerWaalsContact NZ-CB 3.32Å; K114-E149 IonicContact NZ-OE2 3.35Å; K114-E149 PolarHBondContact NZ-OE2 3.29Å; K117-E149 WeakPolarHBondContact O-CB 3.37Å; K117-E149 PolarHBondContact O-N 3.43Å; Y119-E149 HydrophobicContact CE2-CB 4.33Å; Y119-E149 HydrophobicContact CE2-CG 4.36Å; E149-A151 PolarHBondContact O-N 3.4Å; E149-A151 VanDerWaalsContact O-N 3.11Å; E149-L152 VanDerWaalsContact O-CB 3.31Å; E149-L152 WeakPolarHBondContact O-CB 3.39Å; E149-L152 PolarHBondContact O-N 3.37Å; E149-L152 VanDerWaalsContact O-N 3.14Å; E149-F499 PolarHBondContact OE1-N 2.8Å; E149-F499 WeakPolarHBondContact OE2-CB 3.48Å; E149-F499 WeakPolarHBondContact OE2-CD2 3.39Å; E149-F499 PolarHBondContact OE2-N 3.34Å; E149-F499 VanDerWaalsContact OE2-N 3.15Å; E149-E500 HydrophobicContact CB-CG 4.37Å; E149-E500 HydrophobicContact CG-CB 4.47Å; E149-E500 HydrophobicContact CG-CG 4.03Å; E149-E500 PolarHBondContact OE1-N 3.2Å; E149-Y504 WeakPolarHBondContact CG-OH 3.44Å; E149-Y504 WeakPolarHBondContact OE1-CE2 3.41Å; E149-Y504 PolarHBondContact OE1-OH 2.87Å
150	S	92.9	Very high	94.3	Very high	49 Å²	49	33.7 Å²	33.7	34%	0.343	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.9	-178.7	59.9	0	0	0	0	114.4	P148 K503	P148-S150 PolarHBondContact O-N 2.96Å; P148-S150 VanDerWaalsContact O-N 3.09Å; S150-K503 PolarHBondContact O-NZ 3.03Å
151	A	95	Very high	94.4	Very high	11 Å²	11	36.4 Å²	36.4	9%	0.091	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-102.7	6.9	-179.2	0	0	0	0	0	114.1	F147 P148 E149 N153 R154 F155	F147-A151 HydrophobicContact CD2-CB 4.35Å; P148-A151 HydrophobicContact CG-CB 4.31Å; P148-A151 PolarHBondContact O-N 2.78Å; E149-A151 PolarHBondContact O-N 3.4Å; E149-A151 VanDerWaalsContact O-N 3.11Å; A151-N153 PolarHBondContact O-N 3.07Å; A151-R154 PolarHBondContact O-N 3.14Å; A151-F155 HydrophobicContact CB-CD2 3.72Å; A151-F155 HydrophobicContact CB-CE2 3.67Å; A151-F155 WeakPolarHBondContact O-CD2 3.4Å; A151-F155 PolarHBondContact O-N 3.44Å
152	L	95.5	Very high	94.7	Very high	9 Å²	9	38.2 Å²	38.2	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-50.4	-54.1	-177.6	173.5	63.8	0	0	0	113.2	F112 Y119 E149 R154 F155 A156 L209	F112-L152 HydrophobicContact CD2-CD1 3.58Å; F112-L152 HydrophobicContact CE2-CD1 4.05Å; Y119-L152 HydrophobicContact CD2-CB 4.37Å; Y119-L152 HydrophobicContact CD2-CD1 4.08Å; Y119-L152 HydrophobicContact CE1-CD1 4.49Å; Y119-L152 HydrophobicContact CE2-CB 3.85Å; Y119-L152 HydrophobicContact CE2-CD1 3.74Å; Y119-L152 HydrophobicContact CE2-CD2 4.02Å; Y119-L152 HydrophobicContact CE2-CG 4.07Å; E149-L152 VanDerWaalsContact O-CB 3.31Å; E149-L152 WeakPolarHBondContact O-CB 3.39Å; E149-L152 PolarHBondContact O-N 3.37Å; E149-L152 VanDerWaalsContact O-N 3.14Å; L152-R154 PolarHBondContact O-N 3.13Å; L152-F155 PolarHBondContact O-N 3.37Å; L152-A156 VanDerWaalsContact O-CB 3.3Å; L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 3.39Å; L152-L209 HydrophobicContact CD2-CB 4.23Å; L152-L209 HydrophobicContact CD2-CD2 4.49Å
153	N	93.1	Very high	94.6	Very high	49 Å²	49	38 Å²	38	26%	0.262	20%	0.197	S	C	.	.	H	α-helix	trans	-54.8	-55.8	-176.7	58.8	-14.5	0	0	0	111.5	A151 F155 A156 D157	A151-N153 PolarHBondContact O-N 3.07Å; N153-F155 VanDerWaalsContact C-N 3.29Å; N153-F155 PolarHBondContact O-N 3.39Å; N153-A156 PolarHBondContact O-N 2.91Å; N153-D157 WeakPolarHBondContact O-CB 3.35Å; N153-D157 PolarHBondContact O-N 2.78Å
154	R	94.1	Very high	94.6	Very high	130 Å²	130	41.4 Å²	41.4	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-57.3	-40.5	-176.7	-175.5	-177.1	67	173	-0.6	112.7	A151 L152 R158	A151-R154 PolarHBondContact O-N 3.14Å; L152-R154 PolarHBondContact O-N 3.13Å; R154-R158 WeakPolarHBondContact O-CG 3.36Å; R154-R158 PolarHBondContact O-N 3.3Å
155	F	96.5	Very high	94.6	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-81.2	-36.4	-178.2	-73.7	-52.2	0	0	0	112.7	F112 L133 L135 F147 A151 L152 N153 L159	F112-F155 HydrophobicContact CZ-CB 4.43Å; L133-F155 HydrophobicContact CB-CD1 3.82Å; L133-F155 HydrophobicContact CB-CE1 4.01Å; L133-F155 HydrophobicContact CD1-CB 3.95Å; L133-F155 HydrophobicContact CD1-CD1 3.83Å; L133-F155 HydrophobicContact CD1-CG 4.17Å; L133-F155 HydrophobicContact CD2-CD1 4.08Å; L133-F155 HydrophobicContact CG-CD1 4.13Å; L135-F155 HydrophobicContact CD2-CE1 4.09Å; L135-F155 HydrophobicContact CD2-CE2 4.35Å; L135-F155 HydrophobicContact CD2-CZ 3.76Å; F147-F155 HydrophobicContact CB-CD2 3.66Å; F147-F155 HydrophobicContact CB-CE2 3.41Å; F147-F155 VanDerWaalsContact CB-CE2 3.41Å; F147-F155 HydrophobicContact CB-CZ 4.38Å; F147-F155 HydrophobicContact CD1-CB 4.26Å; F147-F155 AromaticContact CD1-CD2 3.6Å; F147-F155 HydrophobicContact CD1-CD2 3.6Å; F147-F155 HydrophobicContact CD1-CE2 4.1Å; F147-F155 HydrophobicContact CD1-CG 4.04Å; F147-F155 AromaticContact CD2-CD2 3.52Å; F147-F155 HydrophobicContact CD2-CD2 3.52Å; F147-F155 HydrophobicContact CD2-CE2 4.15Å; F147-F155 HydrophobicContact CD2-CG 4.44Å; F147-F155 HydrophobicContact CE1-CB 3.87Å; F147-F155 HydrophobicContact CE1-CD2 4.07Å; F147-F155 HydrophobicContact CE1-CG 4.17Å; F147-F155 HydrophobicContact CE2-CB 4.22Å; F147-F155 HydrophobicContact CE2-CD2 4.03Å; F147-F155 AromaticContact CG-CD2 3.3Å; F147-F155 HydrophobicContact CG-CD2 3.3Å; F147-F155 AromaticContact CG-CE2 3.64Å; F147-F155 HydrophobicContact CG-CE2 3.64Å; F147-F155 HydrophobicContact CG-CG 4.18Å; F147-F155 HydrophobicContact CZ-CB 3.88Å; F147-F155 HydrophobicContact CZ-CD2 4.29Å; F147-F155 HydrophobicContact CZ-CG 4.47Å; A151-F155 HydrophobicContact CB-CD2 3.72Å; A151-F155 HydrophobicContact CB-CE2 3.67Å; A151-F155 WeakPolarHBondContact O-CD2 3.4Å; A151-F155 PolarHBondContact O-N 3.44Å; L152-F155 PolarHBondContact O-N 3.37Å; N153-F155 VanDerWaalsContact C-N 3.29Å; N153-F155 PolarHBondContact O-N 3.39Å; F155-L159 PolarHBondContact O-N 3.03Å
156	A	96	Very high	94.6	Very high	12 Å²	12	41.8 Å²	41.8	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-49.4	172.4	0	0	0	0	0	110.7	F112 L152 N153 R158 L159 I160 V166	F112-A156 HydrophobicContact CE2-CB 3.83Å; L152-A156 VanDerWaalsContact O-CB 3.3Å; L152-A156 WeakPolarHBondContact O-CB 3.48Å; L152-A156 PolarHBondContact O-N 3.39Å; N153-A156 PolarHBondContact O-N 2.91Å; A156-R158 VanDerWaalsContact C-N 3.35Å; A156-R158 PolarHBondContact O-N 2.75Å; A156-L159 PolarHBondContact O-N 3.29Å; A156-I160 HydrophobicContact CB-CD1 4.23Å; A156-I160 WeakPolarHBondContact O-CD1 3.37Å; A156-I160 VanDerWaalsContact O-CG1 3.29Å; A156-I160 WeakPolarHBondContact O-CG1 3.46Å; A156-I160 PolarHBondContact O-N 3.46Å; A156-V166 HydrophobicContact CB-CG1 4.48Å
157	D	93.3	Very high	94.6	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-45.5	-176.6	-68.8	-31.5	0	0	0	112.2	N153 L159 I160 E161 K204 G211	N153-D157 WeakPolarHBondContact O-CB 3.35Å; N153-D157 PolarHBondContact O-N 2.78Å; D157-L159 VanDerWaalsContact C-N 3.26Å; D157-L159 PolarHBondContact O-N 3.17Å; D157-I160 PolarHBondContact O-N 3.38Å; D157-I160 VanDerWaalsContact O-N 3.15Å; D157-E161 WeakPolarHBondContact O-CB 3.35Å; D157-E161 VanDerWaalsContact O-CG 3.32Å; D157-E161 WeakPolarHBondContact O-CG 3.27Å; D157-E161 PolarHBondContact O-N 3.28Å; D157-K204 VanDerWaalsContact CG-NZ 3.35Å; D157-K204 VanDerWaalsContact OD1-CE 3.3Å; D157-K204 WeakPolarHBondContact OD1-CE 3.35Å; D157-K204 IonicContact OD1-NZ 3.83Å; D157-K204 PolarHBondContact OD1-NZ 2.86Å; D157-K204 IonicContact OD2-NZ 3.7Å; D157-G211 WeakPolarHBondContact OD2-CA 3.45Å; D157-G211 PolarHBondContact OD2-N 2.85Å
158	R	94.5	Very high	94.6	Very high	102 Å²	102	41.2 Å²	41.2	39%	0.385	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-33.1	176.6	-78.3	179.5	177.6	-169.6	-0.5	113.9	L133 R154 A156 R162	L133-R158 HydrophobicContact CD2-CB 3.54Å; L133-R158 HydrophobicContact CD2-CG 4.49Å; R154-R158 WeakPolarHBondContact O-CG 3.36Å; R154-R158 PolarHBondContact O-N 3.3Å; A156-R158 VanDerWaalsContact C-N 3.35Å; A156-R158 PolarHBondContact O-N 2.75Å; R158-R162 WeakPolarHBondContact O-CD 3.32Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-NH1 2.96Å
159	L	95.9	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-77.4	-43	175.6	-68.8	-178.6	0	0	0	110.8	I110 F112 I128 C132 L133 F155 A156 D157 E161 R162 G163 Y164 V166	I110-L159 HydrophobicContact CD1-CD1 3.86Å; I110-L159 HydrophobicContact CD1-CD2 4.26Å; I110-L159 HydrophobicContact CG2-CD1 4.05Å; F112-L159 HydrophobicContact CE1-CD1 3.53Å; F112-L159 HydrophobicContact CZ-CD1 3.58Å; I128-L159 HydrophobicContact CG2-CD2 4.36Å; C132-L159 HydrophobicContact CB-CD2 3.81Å; L133-L159 HydrophobicContact CD1-CD1 4.12Å; L133-L159 HydrophobicContact CD1-CD2 4.27Å; L133-L159 HydrophobicContact CD1-CG 4.1Å; L133-L159 HydrophobicContact CD2-CD2 3.92Å; L133-L159 HydrophobicContact CD2-CG 3.97Å; L133-L159 HydrophobicContact CG-CD2 4.04Å; L133-L159 HydrophobicContact CG-CG 4.28Å; F155-L159 PolarHBondContact O-N 3.03Å; A156-L159 PolarHBondContact O-N 3.29Å; D157-L159 VanDerWaalsContact C-N 3.26Å; D157-L159 PolarHBondContact O-N 3.17Å; L159-E161 PolarHBondContact O-N 3.02Å; L159-R162 CarbonylContact O-C 3.58Å; L159-R162 WeakPolarHBondContact O-CB 3.39Å; L159-R162 PolarHBondContact O-N 3.46Å; L159-R162 VanDerWaalsContact O-N 3.12Å; L159-G163 PolarHBondContact O-N 3.11Å; L159-Y164 HydrophobicContact CB-CD2 4.42Å; L159-Y164 HydrophobicContact CD2-CD2 4.12Å; L159-Y164 WeakPolarHBondContact O-CB 3.45Å; L159-Y164 WeakPolarHBondContact O-CD2 3.23Å; L159-Y164 PolarHBondContact O-N 2.96Å; L159-V166 HydrophobicContact CB-CG2 3.73Å; L159-V166 HydrophobicContact CD1-CG2 3.99Å
160	I	93.4	Very high	94.7	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-43.4	179.9	-67.1	159.6	0	0	0	111.1	A156 D157 R162 G163 V166 V199 R201	A156-I160 HydrophobicContact CB-CD1 4.23Å; A156-I160 WeakPolarHBondContact O-CD1 3.37Å; A156-I160 VanDerWaalsContact O-CG1 3.29Å; A156-I160 WeakPolarHBondContact O-CG1 3.46Å; A156-I160 PolarHBondContact O-N 3.46Å; D157-I160 PolarHBondContact O-N 3.38Å; D157-I160 VanDerWaalsContact O-N 3.15Å; I160-R162 PolarHBondContact O-N 2.83Å; I160-G163 WeakPolarHBondContact O-CA 3.43Å; I160-G163 PolarHBondContact O-N 2.95Å; I160-V166 HydrophobicContact CG1-CG2 4.1Å; I160-V199 HydrophobicContact CD1-CB 3.92Å; I160-V199 HydrophobicContact CD1-CG1 3.49Å; I160-V199 VanDerWaalsContact CD1-CG1 3.49Å; I160-V199 HydrophobicContact CG1-CG1 4.39Å; I160-R201 HydrophobicContact CG2-CB 4.1Å
161	E	88	Confident	94.9	Very high	110 Å²	110	36.8 Å²	36.8	51%	0.514	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-30.1	175.6	-75.7	166.1	-168.1	0	0	112.9	D157 L159 G163	D157-E161 WeakPolarHBondContact O-CB 3.35Å; D157-E161 VanDerWaalsContact O-CG 3.32Å; D157-E161 WeakPolarHBondContact O-CG 3.27Å; D157-E161 PolarHBondContact O-N 3.28Å; L159-E161 PolarHBondContact O-N 3.02Å; E161-G163 PolarHBondContact O-N 2.8Å
162	R	90.9	Very high	94.9	Very high	137 Å²	137	37 Å²	37	52%	0.517	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	1.5	174.1	-71.5	176.6	175.5	75.8	0.3	113.2	R158 L159 I160 Y164	R158-R162 WeakPolarHBondContact O-CD 3.32Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-NH1 2.96Å; L159-R162 CarbonylContact O-C 3.58Å; L159-R162 WeakPolarHBondContact O-CB 3.39Å; L159-R162 PolarHBondContact O-N 3.46Å; L159-R162 VanDerWaalsContact O-N 3.12Å; I160-R162 PolarHBondContact O-N 2.83Å; R162-Y164 HydrophobicContact CB-CD2 3.87Å; R162-Y164 HydrophobicContact CB-CE2 3.98Å
163	G	90.1	Very high	94.6	Very high	46 Å²	46	38 Å²	38	47%	0.474	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	9.3	177.2	0	0	0	0	0	115	L159 I160 E161	L159-G163 PolarHBondContact O-N 3.11Å; I160-G163 WeakPolarHBondContact O-CA 3.43Å; I160-G163 PolarHBondContact O-N 2.95Å; E161-G163 PolarHBondContact O-N 2.8Å
164	Y	94.7	Very high	94.5	Very high	71 Å²	71	38.1 Å²	38.1	28%	0.278	18%	0.179	S	C	.	.			trans	-80.2	149.1	175	-65.7	-78.2	0	0	0	111.8	I110 I128 L159 R162	I110-Y164 HydrophobicContact CD1-CD1 3.61Å; I110-Y164 HydrophobicContact CD1-CD2 4.34Å; I110-Y164 HydrophobicContact CD1-CE1 4.28Å; I110-Y164 HydrophobicContact CD1-CG 3.64Å; I110-Y164 HydrophobicContact CG1-CD1 4.39Å; I128-Y164 HydrophobicContact CD1-CE1 4.15Å; I128-Y164 HydrophobicContact CG2-CD1 4.41Å; I128-Y164 HydrophobicContact CG2-CE1 3.86Å; I128-Y164 HydrophobicContact CG2-CE2 3.99Å; L159-Y164 HydrophobicContact CB-CD2 4.42Å; L159-Y164 HydrophobicContact CD2-CD2 4.12Å; L159-Y164 WeakPolarHBondContact O-CB 3.45Å; L159-Y164 WeakPolarHBondContact O-CD2 3.23Å; L159-Y164 PolarHBondContact O-N 2.96Å; R162-Y164 HydrophobicContact CB-CD2 3.87Å; R162-Y164 HydrophobicContact CB-CE2 3.98Å
165	K	96.3	Very high	94.2	Very high	23 Å²	23	35.9 Å²	35.9	10%	0.1	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.9	165.3	-52.8	-173.4	179.1	-176.8	0	109.6	D108 T109 I110 I198 T200 E277 Y346	D108-K165 WeakPolarHBondContact OD2-CD 3.49Å; D108-K165 VanDerWaalsContact OD2-CE 3.29Å; D108-K165 WeakPolarHBondContact OD2-CE 3.48Å; D108-K165 IonicContact OD2-NZ 2.76Å; D108-K165 PolarHBondContact OD2-NZ 2.92Å; T109-K165 HydrophobicContact CG2-CB 4.03Å; I110-K165 PolarHBondContact N-O 3.47Å; K165-I198 HydrophobicContact CB-CG2 4.47Å; K165-T200 HydrophobicContact CB-CG2 4.21Å; K165-T200 HydrophobicContact CD-CG2 4.15Å; K165-T200 HydrophobicContact CG-CG2 3.73Å; K165-E277 WeakPolarHBondContact CE-OE1 3.33Å; K165-E277 IonicContact NZ-OE1 3.38Å; K165-E277 PolarHBondContact NZ-OE1 3.13Å; K165-E277 IonicContact NZ-OE2 2.68Å; K165-E277 PolarHBondContact NZ-OE2 2.94Å; K165-Y346 WeakPolarHBondContact CE-OH 3.45Å; K165-Y346 PolarHBondContact NZ-OH 3.22Å
166	V	97.9	Very high	93.8	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.7	-179.7	-179.2	0	0	0	0	109.6	I110 F112 A156 L159 I160 I198 V199	I110-V166 WeakPolarHBondContact O-CA 3.18Å; F112-V166 HydrophobicContact CD1-CG1 4Å; F112-V166 HydrophobicContact CD2-CG1 3.63Å; F112-V166 HydrophobicContact CE1-CG1 3.97Å; F112-V166 HydrophobicContact CE2-CG1 3.63Å; F112-V166 HydrophobicContact CG-CG1 3.85Å; F112-V166 HydrophobicContact CZ-CG1 3.82Å; A156-V166 HydrophobicContact CB-CG1 4.48Å; L159-V166 HydrophobicContact CB-CG2 3.73Å; L159-V166 HydrophobicContact CD1-CG2 3.99Å; I160-V166 HydrophobicContact CG1-CG2 4.1Å; V166-I198 CarbonylContact O-C 3.54Å; V166-I198 WeakPolarHBondContact O-CA 3.15Å; V166-V199 PolarHBondContact N-O 2.73Å; V166-V199 PolarHBondContact O-N 3.35Å
167	A	98.1	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	170.1	0	0	0	0	0	110.3	T109 I110 L111 F112 I195 R197 I198	T109-A167 HydrophobicContact CG2-CB 3.5Å; I110-A167 PolarHBondContact O-N 3.14Å; L111-A167 HydrophobicContact CD2-CB 3.64Å; F112-A167 PolarHBondContact N-O 2.91Å; A167-I195 HydrophobicContact CB-CG2 4.23Å; A167-R197 CarbonylContact C-O 3.59Å; A167-R197 VanDerWaalsContact CA-O 3.3Å; A167-R197 WeakPolarHBondContact CA-O 3.39Å; A167-I198 HydrophobicContact CB-CG1 4.06Å
168	R	97.7	Very high	93.2	Very high	15 Å²	15	43.5 Å²	43.5	6%	0.057	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	109.2	169.9	-174.6	179.9	65.8	113.1	-9.7	109	Y119 E170 C196 R197 L209 E493	Y119-R168 HydrophobicContact CE1-CG 4.03Å; R168-E170 WeakPolarHBondContact CD-OE1 3.43Å; R168-E170 HydrophobicContact CG-CG 4.29Å; R168-E170 WeakPolarHBondContact CG-OE1 3.17Å; R168-E170 IonicContact CZ-OE1 3.66Å; R168-E170 IonicContact NE-OE1 3.46Å; R168-E170 IonicContact NH1-OE1 3.17Å; R168-E170 PolarHBondContact NH1-OE1 2.77Å; R168-C196 PolarHBondContact O-N 2.79Å; R168-R197 HydrophobicContact CB-CB 4.26Å; R168-R197 PolarHBondContact N-O 3.37Å; R168-L209 VanDerWaalsContact NH1-CD1 3.28Å; R168-E493 IonicContact CZ-OE1 2.77Å; R168-E493 IonicContact NH2-OE1 2.61Å; R168-E493 PolarHBondContact NH2-OE1 2.97Å; R168-E493 IonicContact NH2-OE2 3.15Å
169	V	98.2	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.6	176.7	177.5	0	0	0	0	108.2	M102 F112 F113 K114 R193 E194 I195	M102-V169 HydrophobicContact CE-CG1 3.83Å; M102-V169 HydrophobicContact SD-CB 4.28Å; M102-V169 HydrophobicContact SD-CG1 3.5Å; M102-V169 VanDerWaalsContact SD-CG1 3.5Å; M102-V169 HydrophobicContact SD-CG2 3.73Å; F112-V169 PolarHBondContact O-N 3.03Å; F113-V169 HydrophobicContact CD2-CB 4.12Å; F113-V169 HydrophobicContact CD2-CG1 3.69Å; F113-V169 HydrophobicContact CD2-CG2 4.44Å; F113-V169 HydrophobicContact CE2-CG1 3.99Å; K114-V169 WeakPolarHBondContact CB-O 3.5Å; K114-V169 PolarHBondContact N-O 3.4Å; V169-R193 HydrophobicContact CG1-CB 3.83Å; V169-E194 WeakPolarHBondContact CA-O 3.36Å; V169-I195 HydrophobicContact CG2-CG1 3.78Å
170	E	97.5	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	159.8	-179.1	-61.9	-64	174.1	0	0	112.4	Y119 R168 R193 E194 C196 A496	Y119-E170 PolarHBondContact OH-OE1 2.68Å; R168-E170 WeakPolarHBondContact CD-OE1 3.43Å; R168-E170 HydrophobicContact CG-CG 4.29Å; R168-E170 WeakPolarHBondContact CG-OE1 3.17Å; R168-E170 IonicContact CZ-OE1 3.66Å; R168-E170 IonicContact NE-OE1 3.46Å; R168-E170 IonicContact NH1-OE1 3.17Å; R168-E170 PolarHBondContact NH1-OE1 2.77Å; E170-R193 WeakPolarHBondContact O-CA 3.41Å; E170-R193 WeakPolarHBondContact O-CB 3.4Å; E170-E194 PolarHBondContact N-O 3.36Å; E170-E194 PolarHBondContact O-N 3.26Å; E170-E194 VanDerWaalsContact O-N 3.15Å; E170-C196 HydrophobicContact CG-CB 4.04Å; E170-A496 HydrophobicContact CB-CB 3.76Å; E170-A496 HydrophobicContact CG-CB 3.87Å
171	Q	96.2	Very high	92	Very high	13 Å²	13	53 Å²	53	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125	162.9	-63.4	-179.6	-118.6	0	0	108.9	K114 V191 R192 R193 V497	K114-Q171 HydrophobicContact CB-CG 4.21Å; K114-Q171 HydrophobicContact CG-CG 4.03Å; Q171-V191 HydrophobicContact CG-CG2 4.01Å; Q171-R192 WeakPolarHBondContact CA-O 3.35Å; Q171-R193 HydrophobicContact CG-CG 4.2Å; Q171-V497 PolarHBondContact O-N 3.22Å
172	T	94.1	Very high	91.7	Very high	17 Å²	17	49.2 Å²	49.2	10%	0.104	25%	0.253	C	S	.	.			trans	-104.6	8.1	179.4	56.9	0	0	0	0	113.4	R192 E194 R495	T172-R192 PolarHBondContact N-O 3.39Å; T172-E194 WeakPolarHBondContact CB-OE2 3.18Å; T172-E194 HydrophobicContact CG2-CB 4.01Å; T172-E194 HydrophobicContact CG2-CG 4.26Å; T172-E194 WeakPolarHBondContact CG2-OE2 3.46Å; T172-E194 PolarHBondContact OG1-OE2 3.19Å; T172-R495 CarbonylContact C-O 3.59Å; T172-R495 VanDerWaalsContact CA-O 3.31Å; T172-R495 WeakPolarHBondContact CA-O 3.45Å; T172-R495 HydrophobicContact CG2-CB 4.26Å
173	E	90.8	Very high	91.2	Very high	29 Å²	29	50.4 Å²	50.4	14%	0.136	26%	0.264	C	S	.	.	S	Bend	trans	-140.1	142.9	175.3	-71.8	172	166	0	0	109.8	A177 R181 R192	E173-A177 HydrophobicContact CB-CB 4.42Å; E173-R181 IonicContact OE1-CZ 3.75Å; E173-R181 IonicContact OE1-NH1 3.8Å; E173-R181 PolarHBondContact OE1-NH1 2.89Å; E173-R181 IonicContact OE2-CZ 3.58Å; E173-R181 IonicContact OE2-NH1 3.27Å; E173-R181 PolarHBondContact OE2-NH1 3.45Å; E173-R181 IonicContact OE2-NH2 2.78Å; E173-R192 HydrophobicContact CB-CB 4.49Å; E173-R192 VanDerWaalsContact CD-CB 3.44Å; E173-R192 HydrophobicContact CG-CB 3.9Å; E173-R192 IonicContact OE1-CZ 2.85Å; E173-R192 IonicContact OE1-NE 2.83Å; E173-R192 VanDerWaalsContact OE2-CB 3.32Å; E173-R192 WeakPolarHBondContact OE2-CB 3.38Å; E173-R192 PolarHBondContact OE2-N 3.36Å
174	T	90.2	Very high	90.3	Very high	52 Å²	52	57 Å²	57	32%	0.319	28%	0.28	S	S	.	.			trans	-78.3	160.3	168.5	65.3	0	0	0	0	110.8	E176 A177 M178 V497	T174-E176 PolarHBondContact O-N 3.48Å; T174-A177 PolarHBondContact O-N 2.66Å; T174-A177 VanDerWaalsContact O-N 3.13Å; T174-A177 WeakPolarHBondContact OG1-CB 3.4Å; T174-A177 PolarHBondContact OG1-N 3.3Å; T174-M178 PolarHBondContact O-N 3.18Å; T174-V497 HydrophobicContact CG2-CG1 4.42Å; T174-V497 HydrophobicContact CG2-CG2 4.02Å
175	P	87.9	Confident	88.8	Confident	82 Å²	82	58 Å²	58	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-53.8	-40.2	173.4	-27.4	36.1	0	0	0	113	M178 E179	P175-M178 WeakPolarHBondContact O-CB 3.17Å; P175-M178 PolarHBondContact O-N 3.07Å; P175-E179 WeakPolarHBondContact O-CG 3.39Å; P175-E179 PolarHBondContact O-N 2.64Å
176	E	88	Confident	87	Confident	140 Å²	140	59.8 Å²	59.8	65%	0.654	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-41.1	177.2	-62.7	164.8	-175.9	0	0	112.4	T174 M178 E179 K180	T174-E176 PolarHBondContact O-N 3.48Å; E176-M178 VanDerWaalsContact C-N 3.35Å; E176-E179 PolarHBondContact O-N 2.82Å; E176-K180 WeakPolarHBondContact O-CG 3.38Å; E176-K180 PolarHBondContact O-N 3.27Å; E176-K180 VanDerWaalsContact O-N 3.07Å
177	A	87.6	Confident	85.4	Confident	39 Å²	39	69.4 Å²	69.4	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-39.4	175.7	0	0	0	0	0	111.3	E173 T174 K180 R181	E173-A177 HydrophobicContact CB-CB 4.42Å; T174-A177 PolarHBondContact O-N 2.66Å; T174-A177 VanDerWaalsContact O-N 3.13Å; T174-A177 WeakPolarHBondContact OG1-CB 3.4Å; T174-A177 PolarHBondContact OG1-N 3.3Å; A177-K180 PolarHBondContact O-N 3.06Å; A177-R181 PolarHBondContact O-N 2.76Å
178	M	88.8	Confident	84	Confident	27 Å²	27	72.9 Å²	72.9	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-43.5	174	177.8	-145.4	66.5	0	0	111.4	T174 P175 E176 R181 A182 R189 V190 V191	T174-M178 PolarHBondContact O-N 3.18Å; P175-M178 WeakPolarHBondContact O-CB 3.17Å; P175-M178 PolarHBondContact O-N 3.07Å; E176-M178 VanDerWaalsContact C-N 3.35Å; M178-R181 WeakPolarHBondContact O-CB 3.2Å; M178-R181 PolarHBondContact O-N 2.86Å; M178-A182 WeakPolarHBondContact O-CB 3.2Å; M178-A182 PolarHBondContact O-N 3.01Å; M178-R189 VanDerWaalsContact SD-C 3.51Å; M178-V190 VanDerWaalsContact SD-C 3.54Å; M178-V191 HydrophobicContact CB-CG1 4.1Å; M178-V191 HydrophobicContact SD-CG1 4.31Å
179	E	86.8	Confident	83.3	Confident	113 Å²	113	82 Å²	82	53%	0.528	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-44.9	176.6	-75.5	179.8	-179.3	0	0	111.8	P175 E176 R181 A182 Q183	P175-E179 WeakPolarHBondContact O-CG 3.39Å; P175-E179 PolarHBondContact O-N 2.64Å; E176-E179 PolarHBondContact O-N 2.82Å; E179-R181 VanDerWaalsContact C-N 3.29Å; E179-R181 PolarHBondContact O-N 2.99Å; E179-A182 PolarHBondContact O-N 3.44Å; E179-Q183 WeakPolarHBondContact O-CG 3.48Å; E179-Q183 PolarHBondContact O-N 2.94Å
180	K	86	Confident	83	Confident	144 Å²	144	83.6 Å²	83.6	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-59.9	-37.7	173.9	-73.3	177	-179.3	175.2	0	112.4	E176 A177	E176-K180 WeakPolarHBondContact O-CG 3.38Å; E176-K180 PolarHBondContact O-N 3.27Å; E176-K180 VanDerWaalsContact O-N 3.07Å; A177-K180 PolarHBondContact O-N 3.06Å
181	R	86.8	Confident	82.8	Confident	51 Å²	51	84.2 Å²	84.2	19%	0.192	42%	0.424	C	S	.	.	H	α-helix	trans	-69.7	-42.6	174.8	-172.4	-169.1	72.1	-160.7	-4.6	111.9	E173 A177 M178 E179 Q183 K184 D188 V190	E173-R181 IonicContact OE1-CZ 3.75Å; E173-R181 IonicContact OE1-NH1 3.8Å; E173-R181 PolarHBondContact OE1-NH1 2.89Å; E173-R181 IonicContact OE2-CZ 3.58Å; E173-R181 IonicContact OE2-NH1 3.27Å; E173-R181 PolarHBondContact OE2-NH1 3.45Å; E173-R181 IonicContact OE2-NH2 2.78Å; A177-R181 PolarHBondContact O-N 2.76Å; M178-R181 WeakPolarHBondContact O-CB 3.2Å; M178-R181 PolarHBondContact O-N 2.86Å; E179-R181 VanDerWaalsContact C-N 3.29Å; E179-R181 PolarHBondContact O-N 2.99Å; R181-Q183 PolarHBondContact O-N 3.33Å; R181-K184 PolarHBondContact O-N 3.4Å; R181-D188 PolarHBondContact NH2-O 2.93Å; R181-V190 PolarHBondContact NH2-O 3.13Å
182	A	81.5	Confident	82.7	Confident	30 Å²	30	89.4 Å²	89.4	25%	0.248	44%	0.442	C	S	.	.	H	α-helix	trans	-63.4	-32.1	-179.1	0	0	0	0	0	112.1	M178 E179 K184	M178-A182 WeakPolarHBondContact O-CB 3.2Å; M178-A182 PolarHBondContact O-N 3.01Å; E179-A182 PolarHBondContact O-N 3.44Å; A182-K184 PolarHBondContact O-N 3.46Å
183	Q	79.8	Confident	82.8	Confident	162 Å²	162	89.8 Å²	89.8	76%	0.757	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.7	171.4	-71.7	173	8.1	0	0	113.2	E179 R181	E179-Q183 WeakPolarHBondContact O-CG 3.48Å; E179-Q183 PolarHBondContact O-N 2.94Å; R181-Q183 PolarHBondContact O-N 3.33Å
184	K	72	Confident	83.1	Confident	185 Å²	185	90.7 Å²	90.7	80%	0.804	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-17.5	-170.2	-76.8	-173.1	175.6	-175.9	0	116.7	R181 A182	R181-K184 PolarHBondContact O-N 3.4Å; A182-K184 PolarHBondContact O-N 3.46Å
185	A	61.6	Low	83.4	Confident	92 Å²	92	89.5 Å²	89.5	76%	0.76	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	167.3	-14.1	167.1	0	0	0	0	0	115.9
186	T	59.6	Low	83.8	Confident	61 Å²	61	85.6 Å²	85.6	37%	0.374	41%	0.412	S	S	.	.			trans	-91.5	123.6	-169.4	50.9	0	0	0	0	113.1	D188	T186-D188 PolarHBondContact O-N 2.92Å
187	K	63.3	Low	84.2	Confident	206 Å²	206	79.4 Å²	79.4	90%	0.896	38%	0.383	S	S	*	.			trans	-63.4	-21.5	172.5	-80.8	-172.4	176.4	179.8	0	113.8	R189	K187-R189 PolarHBondContact O-N 3.19Å
188	D	68.7	Low	84.6	Confident	72 Å²	72	78 Å²	78	39%	0.385	37%	0.37	S	S	.	.			trans	-81.6	99.8	-176	-73.1	-23.7	0	0	0	111.8	R181 T186 V190	R181-D188 PolarHBondContact NH2-O 2.93Å; T186-D188 PolarHBondContact O-N 2.92Å; D188-V190 HydrophobicContact CB-CG2 4.47Å; D188-V190 PolarHBondContact O-N 3.29Å
189	R	84.7	Confident	85	Confident	208 Å²	208	77.3 Å²	77.3	79%	0.785	37%	0.367	S	S	*	.			trans	-81.5	51.8	175.8	-63.3	-168.9	177.3	-165.4	-0.3	112.4	M178 K187	M178-R189 VanDerWaalsContact SD-C 3.51Å; K187-R189 PolarHBondContact O-N 3.19Å
190	V	90.7	Very high	85.3	Confident	32 Å²	32	72.2 Å²	72.2	19%	0.194	34%	0.344	C	S	.	.	S	Bend	trans	-132.1	141.1	172.2	-67.2	0	0	0	0	110.5	P94 M178 R181 D188	P94-V190 HydrophobicContact CB-CB 4.41Å; P94-V190 HydrophobicContact CB-CG1 3.85Å; P94-V190 HydrophobicContact CB-CG2 3.61Å; M178-V190 VanDerWaalsContact SD-C 3.54Å; R181-V190 PolarHBondContact NH2-O 3.13Å; D188-V190 HydrophobicContact CB-CG2 4.47Å; D188-V190 PolarHBondContact O-N 3.29Å
191	V	93.5	Very high	85.6	Confident	14 Å²	14	70.9 Å²	70.9	9%	0.085	34%	0.335	C	S	.	.			trans	-54.6	141.8	169.9	-67.4	0	0	0	0	111.1	Q98 Q171 M178 R193	Q98-V191 PolarHBondContact NE2-O 3.01Å; Q171-V191 HydrophobicContact CG-CG2 4.01Å; M178-V191 HydrophobicContact CB-CG1 4.1Å; M178-V191 HydrophobicContact SD-CG1 4.31Å; V191-R193 PolarHBondContact O-NH1 2.92Å
192	R	93.6	Very high	85.8	Confident	121 Å²	121	69.2 Å²	69.2	46%	0.457	33%	0.332	S	S	.	.			trans	-66.9	144.8	172.6	-171	177.8	-64.3	-171.9	-1	110.6	Q171 T172 E173 E194	Q171-R192 WeakPolarHBondContact CA-O 3.35Å; T172-R192 PolarHBondContact N-O 3.39Å; E173-R192 HydrophobicContact CB-CB 4.49Å; E173-R192 VanDerWaalsContact CD-CB 3.44Å; E173-R192 HydrophobicContact CG-CB 3.9Å; E173-R192 IonicContact OE1-CZ 2.85Å; E173-R192 IonicContact OE1-NE 2.83Å; E173-R192 VanDerWaalsContact OE2-CB 3.32Å; E173-R192 WeakPolarHBondContact OE2-CB 3.38Å; E173-R192 PolarHBondContact OE2-N 3.36Å; R192-E194 HydrophobicContact CG-CG 4.48Å
193	R	96.6	Very high	86.4	Confident	26 Å²	26	68 Å²	68	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.1	173.7	-68.5	173.4	178.5	80.9	0.1	110.8	M102 F113 K114 V169 E170 Q171 V191	M102-R193 VanDerWaalsContact CE-C 3.41Å; M102-R193 HydrophobicContact CE-CB 3.89Å; M102-R193 WeakPolarHBondContact CE-O 3.31Å; F113-R193 VanDerWaalsContact CE1-CD 3.45Å; F113-R193 HydrophobicContact CE2-CB 4.48Å; F113-R193 HydrophobicContact CZ-CG 4.47Å; K114-R193 PolarHBondContact O-NE 3.29Å; K114-R193 PolarHBondContact O-NH2 3.1Å; V169-R193 HydrophobicContact CG1-CB 3.83Å; E170-R193 WeakPolarHBondContact O-CA 3.41Å; E170-R193 WeakPolarHBondContact O-CB 3.4Å; Q171-R193 HydrophobicContact CG-CG 4.2Å; V191-R193 PolarHBondContact O-NH1 2.92Å
194	E	96.4	Very high	87	Confident	48 Å²	48	61.8 Å²	61.8	22%	0.224	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.2	-178	-67	171.7	86	0	0	110	V169 E170 T172 R192 C196 P492 R495	V169-E194 WeakPolarHBondContact CA-O 3.36Å; E170-E194 PolarHBondContact N-O 3.36Å; E170-E194 PolarHBondContact O-N 3.26Å; E170-E194 VanDerWaalsContact O-N 3.15Å; T172-E194 WeakPolarHBondContact CB-OE2 3.18Å; T172-E194 HydrophobicContact CG2-CB 4.01Å; T172-E194 HydrophobicContact CG2-CG 4.26Å; T172-E194 WeakPolarHBondContact CG2-OE2 3.46Å; T172-E194 PolarHBondContact OG1-OE2 3.19Å; R192-E194 HydrophobicContact CG-CG 4.48Å; E194-C196 PolarHBondContact O-N 3.13Å; E194-P492 HydrophobicContact CB-CB 4.18Å; E194-R495 IonicContact OE1-NH2 3.72Å; E194-R495 PolarHBondContact OE1-NH2 3.42Å
195	I	97.3	Very high	87.9	Confident	27 Å²	27	53.8 Å²	53.8	14%	0.138	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	114	169.5	-65.6	168.4	0	0	0	107.4	M102 N106 A167 V169 I198	M102-I195 HydrophobicContact CB-CD1 4.47Å; M102-I195 HydrophobicContact SD-CG1 4.36Å; N106-I195 VanDerWaalsContact ND2-CD1 3.25Å; N106-I195 WeakPolarHBondContact ND2-CD1 3.37Å; A167-I195 HydrophobicContact CB-CG2 4.23Å; V169-I195 HydrophobicContact CG2-CG1 3.78Å; I195-I198 HydrophobicContact CG2-CD1 4.32Å; I195-I198 HydrophobicContact CG2-CG1 3.75Å
196	C	96	Very high	89.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-20.5	178.7	-69.1	0	0	0	0	112.5	R168 E170 E194 E493	R168-C196 PolarHBondContact O-N 2.79Å; E170-C196 HydrophobicContact CG-CB 4.04Å; E194-C196 PolarHBondContact O-N 3.13Å; C196-E493 HydrophobicContact CB-CB 4.29Å
197	R	96.3	Very high	90.8	Very high	9 Å²	9	48.8 Å²	48.8	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	142.7	-178.3	-163.2	65.7	160.3	-155.7	-10.1	110.6	A167 R168 V199 M205 C350 K351 D355	A167-R197 CarbonylContact C-O 3.59Å; A167-R197 VanDerWaalsContact CA-O 3.3Å; A167-R197 WeakPolarHBondContact CA-O 3.39Å; R168-R197 HydrophobicContact CB-CB 4.26Å; R168-R197 PolarHBondContact N-O 3.37Å; R197-V199 HydrophobicContact CG-CG2 3.6Å; R197-M205 VanDerWaalsContact NH2-CG 3.26Å; R197-C350 WeakPolarHBondContact CD-O 3.41Å; R197-K351 PolarHBondContact NH1-O 3.39Å; R197-D355 IonicContact CZ-OD2 3.84Å; R197-D355 IonicContact NH1-OD2 3.29Å; R197-D355 PolarHBondContact NH1-OD2 3.15Å; R197-D355 IonicContact NH2-OD2 2.66Å
198	I	96.9	Very high	92.1	Very high	9 Å²	9	39.9 Å²	39.9	5%	0.046	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.6	160	-52.3	178.6	0	0	0	107.7	N106 T109 K165 V166 A167 I195 C350	N106-I198 WeakPolarHBondContact OD1-CD1 3.38Å; T109-I198 HydrophobicContact CG2-CG2 4Å; K165-I198 HydrophobicContact CB-CG2 4.47Å; V166-I198 CarbonylContact O-C 3.54Å; V166-I198 WeakPolarHBondContact O-CA 3.15Å; A167-I198 HydrophobicContact CB-CG1 4.06Å; I195-I198 HydrophobicContact CG2-CD1 4.32Å; I195-I198 HydrophobicContact CG2-CG1 3.75Å; I198-C350 PolarHBondContact N-O 2.98Å; I198-C350 WeakPolarHBondContact O-CB 3.38Å; I198-C350 PolarHBondContact O-SG 2.87Å
199	V	96.4	Very high	93.2	Very high	13 Å²	13	37 Å²	37	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.7	-177.3	-168	0	0	0	0	109.5	I160 V166 R197 K204	I160-V199 HydrophobicContact CD1-CB 3.92Å; I160-V199 HydrophobicContact CD1-CG1 3.49Å; I160-V199 VanDerWaalsContact CD1-CG1 3.49Å; I160-V199 HydrophobicContact CG1-CG1 4.39Å; V166-V199 PolarHBondContact N-O 2.73Å; V166-V199 PolarHBondContact O-N 3.35Å; R197-V199 HydrophobicContact CG-CG2 3.6Å; V199-K204 HydrophobicContact CG1-CB 4.19Å; V199-K204 HydrophobicContact CG1-CG 4.32Å
200	T	94.4	Very high	93.5	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.037	13%	0.127	C	C	.	.			trans	-124.1	172	168.4	75	0	0	0	0	108.9	K165 A202 T203 K204 Q251 Y346	K165-T200 HydrophobicContact CB-CG2 4.21Å; K165-T200 HydrophobicContact CD-CG2 4.15Å; K165-T200 HydrophobicContact CG-CG2 3.73Å; T200-A202 PolarHBondContact O-N 3.19Å; T200-A202 PolarHBondContact OG1-N 3.27Å; T200-T203 WeakPolarHBondContact CA-OG1 3.47Å; T200-T203 WeakPolarHBondContact CB-OG1 3.33Å; T200-T203 PolarHBondContact N-OG1 3.23Å; T200-T203 PolarHBondContact O-N 3.35Å; T200-T203 VanDerWaalsContact O-N 3.13Å; T200-T203 PolarHBondContact O-OG1 2.59Å; T200-T203 PolarHBondContact OG1-N 3.14Å; T200-T203 PolarHBondContact OG1-OG1 3.21Å; T200-K204 PolarHBondContact O-N 3.13Å; T200-K204 VanDerWaalsContact O-N 3.1Å; T200-Q251 PolarHBondContact OG1-OE1 3.01Å; T200-Y346 HydrophobicContact CG2-CE1 4.43Å; T200-Y346 VanDerWaalsContact CG2-OH 3.3Å; T200-Y346 WeakPolarHBondContact CG2-OH 3.29Å
201	R	91.2	Very high	93.3	Very high	116 Å²	116	26.4 Å²	26.4	44%	0.438	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.7	176.7	-172.5	175.2	179.4	163.6	2	112.7	I160 A250	I160-R201 HydrophobicContact CG2-CB 4.1Å; R201-A250 HydrophobicContact CG-CB 4.34Å
202	A	92.2	Very high	92.9	Very high	16 Å²	16	30.5 Å²	30.5	13%	0.132	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.5	-179	0	0	0	0	0	114.3	T200 L221 A250 Q251	T200-A202 PolarHBondContact O-N 3.19Å; T200-A202 PolarHBondContact OG1-N 3.27Å; A202-L221 HydrophobicContact CB-CB 3.96Å; A202-L221 HydrophobicContact CB-CD1 4.18Å; A202-A250 HydrophobicContact CB-CB 3.88Å; A202-Q251 HydrophobicContact CB-CB 3.48Å; A202-Q251 VanDerWaalsContact CB-CB 3.48Å
203	T	94.1	Very high	92.2	Very high	4 Å²	4	26 Å²	26	3%	0.025	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	10.5	-178.4	54.9	0	0	0	0	112.6	T200 M205 L221 Y346 C350 I352	T200-T203 WeakPolarHBondContact CA-OG1 3.47Å; T200-T203 WeakPolarHBondContact CB-OG1 3.33Å; T200-T203 PolarHBondContact N-OG1 3.23Å; T200-T203 PolarHBondContact O-N 3.35Å; T200-T203 VanDerWaalsContact O-N 3.13Å; T200-T203 PolarHBondContact O-OG1 2.59Å; T200-T203 PolarHBondContact OG1-N 3.14Å; T200-T203 PolarHBondContact OG1-OG1 3.21Å; T203-M205 PolarHBondContact O-N 2.76Å; T203-L221 HydrophobicContact CG2-CD2 4.33Å; T203-Y346 HydrophobicContact CG2-CD1 4Å; T203-Y346 HydrophobicContact CG2-CE1 3.8Å; T203-C350 HydrophobicContact CG2-CB 4.45Å; T203-I352 HydrophobicContact CG2-CD1 3.79Å
204	K	92.1	Very high	91.3	Very high	33 Å²	33	32.6 Å²	32.6	14%	0.143	16%	0.157	C	C	.	.			trans	-68.6	125.3	174.1	-165.7	171.8	173.8	176.5	0	109	D157 V199 T200 Y206 E210	D157-K204 VanDerWaalsContact CG-NZ 3.35Å; D157-K204 VanDerWaalsContact OD1-CE 3.3Å; D157-K204 WeakPolarHBondContact OD1-CE 3.35Å; D157-K204 IonicContact OD1-NZ 3.83Å; D157-K204 PolarHBondContact OD1-NZ 2.86Å; D157-K204 IonicContact OD2-NZ 3.7Å; V199-K204 HydrophobicContact CG1-CB 4.19Å; V199-K204 HydrophobicContact CG1-CG 4.32Å; T200-K204 PolarHBondContact O-N 3.13Å; T200-K204 VanDerWaalsContact O-N 3.1Å; K204-Y206 HydrophobicContact CB-CE2 4.13Å; K204-Y206 HydrophobicContact CD-CD1 4.24Å; K204-Y206 HydrophobicContact CD-CE1 3.76Å; K204-Y206 HydrophobicContact CD-CE2 4.32Å; K204-Y206 VanDerWaalsContact CE-CE1 3.47Å; K204-Y206 HydrophobicContact CG-CD1 4.34Å; K204-Y206 HydrophobicContact CG-CD2 4.2Å; K204-Y206 HydrophobicContact CG-CE1 4.17Å; K204-Y206 HydrophobicContact CG-CE2 3.97Å; K204-Y206 HydrophobicContact CG-CG 4.38Å; K204-E210 VanDerWaalsContact CG-OE2 3.27Å; K204-E210 WeakPolarHBondContact CG-OE2 3.33Å
205	M	90.9	Very high	90.5	Very high	16 Å²	16	33 Å²	33	8%	0.079	16%	0.163	C	C	.	.			trans	-111	-1.3	-176.1	-68.1	-78.2	-72.5	0	0	111.7	R197 T203 S207 E210 I352 D355 I356 Q477	R197-M205 VanDerWaalsContact NH2-CG 3.26Å; T203-M205 PolarHBondContact O-N 2.76Å; M205-S207 PolarHBondContact O-N 2.88Å; M205-E210 PolarHBondContact N-OE2 3.23Å; M205-I352 HydrophobicContact CG-CG2 4.05Å; M205-D355 HydrophobicContact CE-CB 3.82Å; M205-I356 HydrophobicContact CE-CD1 4.44Å; M205-I356 HydrophobicContact CE-CG1 3.94Å; M205-I356 HydrophobicContact SD-CD1 4.01Å; M205-I356 HydrophobicContact SD-CG1 4.11Å; M205-Q477 HydrophobicContact CE-CG 4.01Å; M205-Q477 PolarHBondContact SD-NE2 2.67Å
206	Y	90.8	Very high	89.4	Confident	26 Å²	26	32.8 Å²	32.8	10%	0.102	17%	0.166	C	C	.	.			trans	56	36.5	178.2	-55.2	-93.6	0	0	0	111.5	K204 E210 G211 E213 R474 K478	K204-Y206 HydrophobicContact CB-CE2 4.13Å; K204-Y206 HydrophobicContact CD-CD1 4.24Å; K204-Y206 HydrophobicContact CD-CE1 3.76Å; K204-Y206 HydrophobicContact CD-CE2 4.32Å; K204-Y206 VanDerWaalsContact CE-CE1 3.47Å; K204-Y206 HydrophobicContact CG-CD1 4.34Å; K204-Y206 HydrophobicContact CG-CD2 4.2Å; K204-Y206 HydrophobicContact CG-CE1 4.17Å; K204-Y206 HydrophobicContact CG-CE2 3.97Å; K204-Y206 HydrophobicContact CG-CG 4.38Å; Y206-E210 PolarHBondContact N-OE2 3.42Å; Y206-G211 VanDerWaalsContact CD1-O 3.29Å; Y206-G211 WeakPolarHBondContact CD1-O 3.32Å; Y206-E213 HydrophobicContact CD1-CB 3.87Å; Y206-E213 HydrophobicContact CE1-CB 3.57Å; Y206-E213 HydrophobicContact CE1-CG 4.22Å; Y206-R474 VanDerWaalsContact CZ-NH1 3.28Å; Y206-K478 WeakPolarHBondContact O-CD 2.8Å; Y206-K478 WeakPolarHBondContact O-CE 3.37Å; Y206-K478 PolarHBondContact O-NZ 2.95Å
207	S	90.8	Very high	88.3	Confident	22 Å²	22	35.8 Å²	35.8	15%	0.154	18%	0.182	C	C	.	.			trans	-59.2	170.8	178	70.8	0	0	0	0	111.9	M205 L209 E210	M205-S207 PolarHBondContact O-N 2.88Å; S207-L209 PolarHBondContact O-N 3.24Å; S207-L209 PolarHBondContact OG-N 3.01Å; S207-E210 PolarHBondContact O-N 2.75Å; S207-E210 PolarHBondContact OG-OE1 3.07Å
208	Y	90.8	Very high	87.4	Confident	20 Å²	20	36.5 Å²	36.5	8%	0.078	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-12.4	176.8	68.5	-87.4	0	0	0	114	L482 Y504 R507 K508	Y208-L482 HydrophobicContact CD1-CD2 3.78Å; Y208-L482 HydrophobicContact CE1-CD2 3.63Å; Y208-Y504 AromaticContact CD2-CD1 3.88Å; Y208-Y504 HydrophobicContact CD2-CD1 3.88Å; Y208-Y504 AromaticContact CD2-CG 3.81Å; Y208-Y504 HydrophobicContact CD2-CG 3.81Å; Y208-Y504 HydrophobicContact CE2-CD1 4.24Å; Y208-Y504 HydrophobicContact CE2-CD2 4.2Å; Y208-Y504 AromaticContact CE2-CG 3.82Å; Y208-Y504 HydrophobicContact CE2-CG 3.82Å; Y208-R507 WeakPolarHBondContact O-CD 3.37Å; Y208-R507 PolarHBondContact O-NH1 3.08Å; Y208-K508 HydrophobicContact CD1-CD 4.45Å; Y208-K508 HydrophobicContact CD1-CG 4.21Å; Y208-K508 VanDerWaalsContact CE1-CE 3.43Å; Y208-K508 HydrophobicContact CG-CG 4.07Å; Y208-K508 VanDerWaalsContact CZ-CE 3.48Å
209	L	92.2	Very high	86.7	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.052	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-14.9	175.9	-63.5	174.5	0	0	0	113.9	L152 R168 S207 E493 F498 Y504	L152-L209 HydrophobicContact CD2-CB 4.23Å; L152-L209 HydrophobicContact CD2-CD2 4.49Å; R168-L209 VanDerWaalsContact NH1-CD1 3.28Å; S207-L209 PolarHBondContact O-N 3.24Å; S207-L209 PolarHBondContact OG-N 3.01Å; L209-E493 WeakPolarHBondContact CD1-OE1 3.46Å; L209-F498 HydrophobicContact CD1-CE1 3.79Å; L209-F498 HydrophobicContact CD1-CZ 3.9Å; L209-F498 HydrophobicContact CD2-CE1 4Å; L209-Y504 HydrophobicContact CD2-CD1 3.92Å; L209-Y504 HydrophobicContact CD2-CD2 4.25Å; L209-Y504 HydrophobicContact CD2-CE1 3.51Å; L209-Y504 HydrophobicContact CD2-CE2 3.85Å; L209-Y504 HydrophobicContact CD2-CG 4.28Å; L209-Y504 VanDerWaalsContact CD2-CZ 3.46Å
210	E	91	Very high	86.4	Confident	14 Å²	14	42.3 Å²	42.3	7%	0.065	21%	0.212	C	C	.	.	S	Bend	trans	-97.3	166	-178.7	-70.5	160.6	-131.2	0	0	110.7	K204 M205 Y206 S207 R507	K204-E210 VanDerWaalsContact CG-OE2 3.27Å; K204-E210 WeakPolarHBondContact CG-OE2 3.33Å; M205-E210 PolarHBondContact N-OE2 3.23Å; Y206-E210 PolarHBondContact N-OE2 3.42Å; S207-E210 PolarHBondContact O-N 2.75Å; S207-E210 PolarHBondContact OG-OE1 3.07Å; E210-R507 PolarHBondContact O-NH1 3Å; E210-R507 PolarHBondContact O-NH2 2.99Å
211	G	85.5	Confident	86.4	Confident	5 Å²	5	43.6 Å²	43.6	5%	0.052	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-69	165.2	170.2	0	0	0	0	0	112.1	D157 Y206	D157-G211 WeakPolarHBondContact OD2-CA 3.45Å; D157-G211 PolarHBondContact OD2-N 2.85Å; Y206-G211 VanDerWaalsContact CD1-O 3.29Å; Y206-G211 WeakPolarHBondContact CD1-O 3.32Å
212	D	85.1	Confident	86.6	Confident	100 Å²	100	39.3 Å²	39.3	54%	0.535	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-76.4	168.5	174.7	-58.5	-50.7	0	0	0	110.8	R507	D212-R507 IonicContact OD1-CZ 2.78Å; D212-R507 IonicContact OD1-NH2 3.74Å; D212-R507 PolarHBondContact OD1-NH2 2.75Å; D212-R507 IonicContact OD2-NH2 3.7Å
213	E	79	Confident	86.6	Confident	26 Å²	26	39.4 Å²	39.4	12%	0.121	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-84.9	139.8	177	177.1	166	-117.1	0	0	111.5	Y206 T215 F422 R474	Y206-E213 HydrophobicContact CD1-CB 3.87Å; Y206-E213 HydrophobicContact CE1-CB 3.57Å; Y206-E213 HydrophobicContact CE1-CG 4.22Å; E213-T215 WeakPolarHBondContact CG-O 3.47Å; E213-F422 HydrophobicContact CB-CE2 3.93Å; E213-F422 HydrophobicContact CB-CZ 4.35Å; E213-F422 HydrophobicContact CG-CD2 4.47Å; E213-F422 HydrophobicContact CG-CE2 3.8Å; E213-F422 HydrophobicContact CG-CZ 3.93Å; E213-F422 WeakPolarHBondContact OE2-CD2 3.43Å; E213-F422 WeakPolarHBondContact OE2-CE2 3.36Å; E213-R474 IonicContact OE1-CZ 3.91Å; E213-R474 IonicContact OE1-NE 3.65Å; E213-R474 IonicContact OE1-NH1 3.55Å; E213-R474 PolarHBondContact OE1-NH1 3.02Å; E213-R474 IonicContact OE1-NH2 3.79Å; E213-R474 PolarHBondContact OE1-NH2 3.22Å; E213-R474 IonicContact OE2-CZ 3.71Å; E213-R474 IonicContact OE2-NE 3.99Å; E213-R474 PolarHBondContact OE2-NE 3.14Å; E213-R474 VanDerWaalsContact OE2-NE 3.08Å; E213-R474 IonicContact OE2-NH1 3.17Å; E213-R474 PolarHBondContact OE2-NH1 3.28Å; E213-R474 IonicContact OE2-NH2 2.94Å; E213-R474 PolarHBondContact OE2-NH2 3.31Å; E213-R474 VanDerWaalsContact OE2-NH2 3.15Å
214	E	78.2	Confident	86.4	Confident	165 Å²	165	40.1 Å²	40.1	77%	0.771	21%	0.209	S	C	*	.			trans	-106.1	-13.9	178.7	-58.5	-172.8	168.6	0	0	113.4
215	T	80.4	Confident	86	Confident	55 Å²	55	39.9 Å²	39.9	34%	0.337	21%	0.211	S	C	.	.			trans	-134.2	145.6	-170.8	62.8	0	0	0	0	112.6	E213 D217 F219	E213-T215 WeakPolarHBondContact CG-O 3.47Å; T215-D217 VanDerWaalsContact C-N 3.25Å; T215-D217 PolarHBondContact O-N 3.1Å; T215-F219 WeakPolarHBondContact OG1-CE2 3.4Å
216	A	72.4	Confident	85.4	Confident	24 Å²	24	42.7 Å²	42.7	20%	0.198	22%	0.224	C	C	.	.	S	Bend	trans	-72.4	-17.6	173.1	0	0	0	0	0	114	A218 F422 K425 R426	A216-A218 PolarHBondContact O-N 3.38Å; A216-F422 VanDerWaalsContact CA-CD1 3.4Å; A216-F422 HydrophobicContact CB-CB 4.43Å; A216-F422 HydrophobicContact CB-CD1 3.66Å; A216-F422 HydrophobicContact CB-CE1 4.43Å; A216-F422 HydrophobicContact CB-CG 4.45Å; A216-K425 HydrophobicContact CB-CB 3.59Å; A216-K425 HydrophobicContact CB-CD 3.77Å; A216-K425 HydrophobicContact CB-CG 4.29Å; A216-R426 WeakPolarHBondContact O-CG 3.28Å
217	D	74.1	Confident	84.1	Confident	63 Å²	63	50 Å²	50	34%	0.337	25%	0.252	S	S	.	.			trans	-64.1	126.7	-175.7	-75.4	-40.1	0	0	0	111.5	T215 F219 R429	T215-D217 VanDerWaalsContact C-N 3.25Å; T215-D217 PolarHBondContact O-N 3.1Å; D217-F219 HydrophobicContact CB-CE1 4.47Å; D217-F219 HydrophobicContact CB-CZ 4.25Å; D217-R429 IonicContact OD1-NH1 3.57Å
218	A	77	Confident	81.5	Confident	24 Å²	24	57.3 Å²	57.3	20%	0.198	29%	0.288	C	S	.	.			trans	-76.2	127.7	172.4	0	0	0	0	0	110.1	A216 Y220	A216-A218 PolarHBondContact O-N 3.38Å; A218-Y220 HydrophobicContact CB-CD2 4.31Å; A218-Y220 HydrophobicContact CB-CE2 3.46Å; A218-Y220 VanDerWaalsContact CB-CE2 3.46Å; A218-Y220 WeakPolarHBondContact CB-OH 3.31Å; A218-Y220 WeakPolarHBondContact O-CD2 3.31Å; A218-Y220 WeakPolarHBondContact O-CE2 3.48Å
219	F	82	Confident	79.4	Confident	55 Å²	55	58.7 Å²	58.7	24%	0.241	30%	0.301	C	S	.	.			trans	-102.1	110.9	179.2	-67.2	-60	0	0	0	109.8	T215 D217 A250	T215-F219 WeakPolarHBondContact OG1-CE2 3.4Å; D217-F219 HydrophobicContact CB-CE1 4.47Å; D217-F219 HydrophobicContact CB-CZ 4.25Å; F219-A250 HydrophobicContact CB-CB 3.57Å; F219-A250 HydrophobicContact CD1-CB 4.02Å; F219-A250 HydrophobicContact CG-CB 4.17Å
220	Y	91	Very high	78.5	Confident	88 Å²	88	60 Å²	60	35%	0.345	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.5	-173	-64.5	-90.3	0	0	0	112.5	A218 F247 P248 P249 A250 Q251	A218-Y220 HydrophobicContact CB-CD2 4.31Å; A218-Y220 HydrophobicContact CB-CE2 3.46Å; A218-Y220 VanDerWaalsContact CB-CE2 3.46Å; A218-Y220 WeakPolarHBondContact CB-OH 3.31Å; A218-Y220 WeakPolarHBondContact O-CD2 3.31Å; A218-Y220 WeakPolarHBondContact O-CE2 3.48Å; Y220-F247 HydrophobicContact CD1-CB 4.37Å; Y220-F247 HydrophobicContact CD2-CB 3.86Å; Y220-F247 HydrophobicContact CE1-CB 4.41Å; Y220-F247 AromaticContact CE1-CD1 4Å; Y220-F247 HydrophobicContact CE1-CD1 4Å; Y220-F247 HydrophobicContact CE2-CB 3.9Å; Y220-F247 HydrophobicContact CE2-CD1 4.06Å; Y220-F247 HydrophobicContact CE2-CG 4.5Å; Y220-F247 HydrophobicContact CG-CB 4.1Å; Y220-F247 AromaticContact CZ-CD1 3.64Å; Y220-P248 WeakPolarHBondContact CD2-O 3.34Å; Y220-P248 PolarHBondContact N-O 2.6Å; Y220-P249 CarbonylContact O-C 3.58Å; Y220-P249 WeakPolarHBondContact O-CA 3.41Å; Y220-A250 PolarHBondContact O-N 3.15Å; Y220-Q251 PolarHBondContact O-N 3.06Å
221	L	94.3	Very high	78.1	Confident	33 Å²	33	62.5 Å²	62.5	17%	0.173	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.2	159.6	179.9	65.2	0	0	0	107.9	A202 T203 Q251 L253 I343 Y346 L347	A202-L221 HydrophobicContact CB-CB 3.96Å; A202-L221 HydrophobicContact CB-CD1 4.18Å; T203-L221 HydrophobicContact CG2-CD2 4.33Å; L221-Q251 HydrophobicContact CD1-CB 3.87Å; L221-Q251 HydrophobicContact CD1-CG 3.95Å; L221-L253 HydrophobicContact CD1-CD1 4.07Å; L221-L253 HydrophobicContact CD1-CD2 4.21Å; L221-L253 HydrophobicContact CD1-CG 3.97Å; L221-L253 HydrophobicContact CD2-CD1 4.37Å; L221-L253 HydrophobicContact CG-CD1 4.33Å; L221-I343 HydrophobicContact CB-CD1 4.44Å; L221-I343 HydrophobicContact CD2-CD1 3.93Å; L221-I343 HydrophobicContact CD2-CG2 4.41Å; L221-I343 HydrophobicContact CG-CD1 3.7Å; L221-Y346 HydrophobicContact CD1-CD1 4.09Å; L221-Y346 HydrophobicContact CD1-CE1 4.37Å; L221-Y346 HydrophobicContact CD2-CD1 3.71Å; L221-Y346 HydrophobicContact CD2-CG 4.39Å; L221-L347 HydrophobicContact CD2-CD2 4.12Å
222	T	93.7	Very high	78	Confident	26 Å²	26	67.3 Å²	67.3	16%	0.16	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.3	-175.4	-52.2	0	0	0	0	111.2	I224 F244 Q251 I252 L253	T222-I224 HydrophobicContact CG2-CG1 4.28Å; T222-F244 HydrophobicContact CG2-CE1 3.81Å; T222-Q251 PolarHBondContact N-O 3.32Å; T222-I252 CarbonylContact O-C 3.57Å; T222-I252 VanDerWaalsContact O-CA 3.3Å; T222-I252 WeakPolarHBondContact O-CA 3.38Å; T222-L253 PolarHBondContact O-N 2.83Å
223	A	92.6	Very high	77.9	Confident	18 Å²	18	65 Å²	65	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.6	170.9	0	0	0	0	0	110.2	L253 S339 A342 I343	A223-L253 CarbonylContact C-O 3.53Å; A223-L253 VanDerWaalsContact CA-O 3.31Å; A223-L253 WeakPolarHBondContact CA-O 3.38Å; A223-L253 HydrophobicContact CB-CB 4.18Å; A223-S339 WeakPolarHBondContact CB-O 3.32Å; A223-A342 HydrophobicContact CB-CB 4.03Å; A223-I343 HydrophobicContact CB-CD1 3.72Å; A223-I343 HydrophobicContact CB-CG1 3.77Å
224	I	89.8	Confident	78	Confident	20 Å²	20	65.4 Å²	65.4	10%	0.103	33%	0.333	C	S	.	.			trans	-122.6	128.3	179.1	-62.6	168.7	0	0	0	109.3	T222 L240 F244 I252 L253 P255 L259 F267	T222-I224 HydrophobicContact CG2-CG1 4.28Å; I224-L240 HydrophobicContact CD1-CD1 4.09Å; I224-F244 HydrophobicContact CD1-CE1 4.2Å; I224-F244 HydrophobicContact CD1-CE2 4.26Å; I224-F244 HydrophobicContact CD1-CZ 3.46Å; I224-F244 VanDerWaalsContact CD1-CZ 3.46Å; I224-I252 HydrophobicContact CD1-CG2 4.1Å; I224-L253 PolarHBondContact N-O 2.97Å; I224-P255 WeakPolarHBondContact O-CD 3.47Å; I224-L259 HydrophobicContact CG2-CD2 4.17Å; I224-F267 HydrophobicContact CD1-CE1 4.07Å; I224-F267 HydrophobicContact CD1-CZ 3.77Å
225	C	85.4	Confident	78	Confident	28 Å²	28	61.9 Å²	61.9	19%	0.189	33%	0.331	C	S	.	.			trans	-119.4	125.7	169	-170.3	0	0	0	0	109.1	F285 S339	C225-F285 HydrophobicContact CB-CE1 3.85Å; C225-F285 HydrophobicContact CB-CZ 3.84Å; C225-S339 WeakPolarHBondContact CB-OG 3.24Å; C225-S339 PolarHBondContact N-OG 3.32Å
226	E	78.3	Confident	77.9	Confident	74 Å²	74	60.8 Å²	60.8	35%	0.346	33%	0.326	S	S	.	.			trans	-103.8	125.4	174.2	-169.1	-177.8	170.5	0	0	110.3	L259 S260	E226-L259 HydrophobicContact CB-CD2 4.15Å; E226-S260 WeakPolarHBondContact OE1-CB 3.29Å; E226-S260 VanDerWaalsContact OE2-CB 3.29Å; E226-S260 WeakPolarHBondContact OE2-CB 3.41Å; E226-S260 PolarHBondContact OE2-N 3.36Å
227	R	62.4	Low	78.5	Confident	181 Å²	181	60.7 Å²	60.7	68%	0.683	32%	0.322	S	S	*	.	S	Bend	trans	-160	177.8	167.2	-104.1	169.9	172.7	-172.9	-6.4	105.6	S229 L335	R227-S229 WeakPolarHBondContact O-CA 3.37Å; R227-S229 WeakPolarHBondContact O-CB 3.28Å; R227-S229 PolarHBondContact O-N 3Å; R227-L335 HydrophobicContact CB-CD1 3.89Å; R227-L335 HydrophobicContact CB-CD2 3.62Å; R227-L335 HydrophobicContact CB-CG 4.42Å; R227-L335 HydrophobicContact CG-CD2 4.45Å
228	L	35.5	Very low	79	Confident	175 Å²	175	58.2 Å²	58.2	92%	0.916	31%	0.31	S	S	*	.	S	Bend	trans	-45.7	-10.3	-174.6	-74.8	154.1	0	0	0	116.8
229	S	48.1	Very low	79.5	Confident	49 Å²	49	59.3 Å²	59.3	34%	0.343	31%	0.309	S	S	.	.			trans	103.6	152.4	147.7	92.2	0	0	0	0	115.7	R227 F231 D232 L335	R227-S229 WeakPolarHBondContact O-CA 3.37Å; R227-S229 WeakPolarHBondContact O-CB 3.28Å; R227-S229 PolarHBondContact O-N 3Å; S229-F231 WeakPolarHBondContact CB-O 3.31Å; S229-F231 PolarHBondContact OG-O 3.41Å; S229-D232 WeakPolarHBondContact OG-CA 3.36Å; S229-D232 PolarHBondContact OG-N 2.62Å; S229-D232 PolarHBondContact OG-OD1 3.43Å; S229-L335 VanDerWaalsContact CA-CD1 3.44Å
230	E	73.1	Confident	79.9	Confident	38 Å²	38	57.6 Å²	57.6	18%	0.178	30%	0.302	C	S	.	.	S	Bend	trans	-95.8	-24.7	172.6	177.5	161.1	176.3	0	0	111.3	D332 H333 L335 C336 R372	E230-D332 VanDerWaalsContact CG-O 3.26Å; E230-D332 WeakPolarHBondContact CG-O 3.21Å; E230-H333 IonicContact OE1-CE1 3.59Å; E230-H333 IonicContact OE1-CG 2.79Å; E230-H333 IonicContact OE1-ND1 3.42Å; E230-H333 PolarHBondContact OE1-ND1 2.69Å; E230-L335 HydrophobicContact CB-CB 4.43Å; E230-C336 VanDerWaalsContact OE1-CB 3.22Å; E230-C336 WeakPolarHBondContact OE1-CB 3.35Å; E230-C336 VanDerWaalsContact OE2-CA 3.31Å; E230-C336 WeakPolarHBondContact OE2-CA 3.49Å; E230-C336 WeakPolarHBondContact OE2-CB 3.43Å; E230-C336 PolarHBondContact OE2-N 2.77Å; E230-R372 PolarHBondContact O-NH2 2.86Å; E230-R372 VanDerWaalsContact O-NH2 3.09Å
231	F	82.1	Confident	79.7	Confident	65 Å²	65	55.4 Å²	55.4	29%	0.285	29%	0.293	S	S	.	.	S	Bend	trans	-134.7	133.8	154	59.6	-93.9	0	0	0	108.4	S229 R239 I243 P367 I370	S229-F231 WeakPolarHBondContact CB-O 3.31Å; S229-F231 PolarHBondContact OG-O 3.41Å; F231-R239 HydrophobicContact CD2-CB 4.41Å; F231-R239 HydrophobicContact CE2-CB 4.15Å; F231-I243 HydrophobicContact CE1-CD1 4.32Å; F231-I243 HydrophobicContact CE2-CD1 4.2Å; F231-I243 HydrophobicContact CZ-CD1 3.57Å; F231-P367 HydrophobicContact CB-CG 4.06Å; F231-P367 HydrophobicContact CD1-CG 4.03Å; F231-P367 HydrophobicContact CD2-CG 3.85Å; F231-P367 HydrophobicContact CE1-CG 4.47Å; F231-P367 HydrophobicContact CE2-CG 4.32Å; F231-P367 HydrophobicContact CG-CG 3.71Å; F231-I370 HydrophobicContact CB-CD1 3.43Å; F231-I370 VanDerWaalsContact CB-CD1 3.43Å; F231-I370 HydrophobicContact CG-CD1 4.44Å
232	D	82.6	Confident	79.4	Confident	106 Å²	106	54.5 Å²	54.5	57%	0.567	29%	0.289	S	S	*	.			trans	-64.8	157.4	176.3	-64.3	-49	0	0	0	110.4	S229 R239	S229-D232 WeakPolarHBondContact OG-CA 3.36Å; S229-D232 PolarHBondContact OG-N 2.62Å; S229-D232 PolarHBondContact OG-OD1 3.43Å; D232-R239 WeakPolarHBondContact O-CD 3.3Å; D232-R239 PolarHBondContact O-NH1 3.39Å
233	D	84.8	Confident	79.2	Confident	53 Å²	53	54.5 Å²	54.5	28%	0.283	29%	0.287	S	S	.	.			trans	-128.5	159.8	168.3	-151.7	-15.4	0	0	0	109.5	L237 S238 R239 L240	D233-L237 WeakPolarHBondContact OD2-CA 3.35Å; D233-S238 PolarHBondContact OD1-N 2.95Å; D233-S238 VanDerWaalsContact OD1-N 3.17Å; D233-R239 WeakPolarHBondContact OD1-CB 3.41Å; D233-R239 PolarHBondContact OD1-N 3Å; D233-R239 PolarHBondContact OD2-N 3.46Å; D233-L240 WeakPolarHBondContact OD2-CB 3.33Å; D233-L240 PolarHBondContact OD2-N 3.35Å
234	D	80.6	Confident	79	Confident	34 Å²	34	54.2 Å²	54.2	18%	0.182	28%	0.283	C	S	.	.			trans	-83.5	171.2	176.9	66.5	35.6	0	0	0	112	S236 L237 S238	D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 PolarHBondContact O-N 2.83Å; D234-S236 VanDerWaalsContact OD1-CA 3.28Å; D234-S236 WeakPolarHBondContact OD1-CA 3.43Å; D234-S236 WeakPolarHBondContact OD1-CB 3.37Å; D234-S236 PolarHBondContact OD1-N 3.26Å; D234-S236 PolarHBondContact OD1-OG 3.26Å; D234-S236 PolarHBondContact OD2-OG 3.25Å; D234-L237 PolarHBondContact O-N 2.73Å; D234-L237 PolarHBondContact OD1-N 3.11Å; D234-S238 VanDerWaalsContact CG-OG 3.29Å; D234-S238 PolarHBondContact OD1-N 3.49Å; D234-S238 WeakPolarHBondContact OD2-CB 3.29Å; D234-S238 PolarHBondContact OD2-OG 2.86Å
235	A	78	Confident	78.8	Confident	90 Å²	90	53.4 Å²	53.4	74%	0.744	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.9	179.2	0	0	0	0	0	114
236	S	77.4	Confident	78.7	Confident	32 Å²	32	52.6 Å²	52.6	22%	0.224	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.5	176.8	70.1	0	0	0	0	113.6	D234 S238 R241	D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 PolarHBondContact O-N 2.83Å; D234-S236 VanDerWaalsContact OD1-CA 3.28Å; D234-S236 WeakPolarHBondContact OD1-CA 3.43Å; D234-S236 WeakPolarHBondContact OD1-CB 3.37Å; D234-S236 PolarHBondContact OD1-N 3.26Å; D234-S236 PolarHBondContact OD1-OG 3.26Å; D234-S236 PolarHBondContact OD2-OG 3.25Å; S236-S238 VanDerWaalsContact C-N 3.3Å; S236-R241 PolarHBondContact O-NE 2.63Å
237	L	86.4	Confident	79.1	Confident	23 Å²	23	51.4 Å²	51.4	12%	0.12	27%	0.267	C	S	.	.			trans	57.3	41.4	-173.9	-53.3	174.9	0	0	0	111.7	D233 D234 R239 L240 R241 E262 V263 M266	D233-L237 WeakPolarHBondContact OD2-CA 3.35Å; D234-L237 PolarHBondContact O-N 2.73Å; D234-L237 PolarHBondContact OD1-N 3.11Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 3.34Å; L237-L240 HydrophobicContact CB-CB 4.33Å; L237-L240 PolarHBondContact O-N 2.84Å; L237-R241 WeakPolarHBondContact O-CB 3.2Å; L237-R241 WeakPolarHBondContact O-CG 3.43Å; L237-R241 PolarHBondContact O-N 3.46Å; L237-E262 HydrophobicContact CD1-CB 4.16Å; L237-V263 HydrophobicContact CD1-CB 4.38Å; L237-V263 HydrophobicContact CD1-CG2 3.83Å; L237-V263 HydrophobicContact CD2-CG2 4.37Å; L237-M266 HydrophobicContact CD1-CB 4.33Å; L237-M266 HydrophobicContact CD1-SD 4.42Å
238	S	84.1	Confident	80.3	Confident	11 Å²	11	43.8 Å²	43.8	8%	0.077	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-37.2	-172.2	72	0	0	0	0	112.5	D233 D234 S236 T242	D233-S238 PolarHBondContact OD1-N 2.95Å; D233-S238 VanDerWaalsContact OD1-N 3.17Å; D234-S238 VanDerWaalsContact CG-OG 3.29Å; D234-S238 PolarHBondContact OD1-N 3.49Å; D234-S238 WeakPolarHBondContact OD2-CB 3.29Å; D234-S238 PolarHBondContact OD2-OG 2.86Å; S236-S238 VanDerWaalsContact C-N 3.3Å; S238-T242 WeakPolarHBondContact O-CB 3.3Å; S238-T242 PolarHBondContact O-N 2.88Å; S238-T242 PolarHBondContact O-OG1 2.86Å
239	R	88.2	Confident	83	Confident	47 Å²	47	35.6 Å²	35.6	18%	0.177	20%	0.199	C	C	.	.	H	α-helix	trans	-69.1	-47.6	178.2	-68.7	171.4	174.3	160.3	4	110.4	F231 D232 D233 L237 R241 T242 I243 D369	F231-R239 HydrophobicContact CD2-CB 4.41Å; F231-R239 HydrophobicContact CE2-CB 4.15Å; D232-R239 WeakPolarHBondContact O-CD 3.3Å; D232-R239 PolarHBondContact O-NH1 3.39Å; D233-R239 WeakPolarHBondContact OD1-CB 3.41Å; D233-R239 PolarHBondContact OD1-N 3Å; D233-R239 PolarHBondContact OD2-N 3.46Å; L237-R239 VanDerWaalsContact C-N 3.34Å; L237-R239 PolarHBondContact O-N 3.34Å; R239-R241 VanDerWaalsContact C-N 3.34Å; R239-R241 PolarHBondContact O-N 3.39Å; R239-T242 WeakPolarHBondContact O-CB 3.44Å; R239-T242 PolarHBondContact O-N 3.04Å; R239-T242 VanDerWaalsContact O-N 3.08Å; R239-I243 WeakPolarHBondContact O-CG1 3.49Å; R239-I243 PolarHBondContact O-N 3.5Å; R239-D369 IonicContact CZ-OD2 3.44Å; R239-D369 IonicContact NE-OD1 3.59Å; R239-D369 PolarHBondContact NE-OD1 3.46Å; R239-D369 IonicContact NE-OD2 2.88Å; R239-D369 PolarHBondContact NE-OD2 3.26Å; R239-D369 IonicContact NH2-OD2 3.89Å; R239-D369 PolarHBondContact NH2-OD2 2.94Å
240	L	89.4	Confident	85	Confident	18 Å²	18	33.4 Å²	33.4	9%	0.094	18%	0.184	C	C	.	.	H	α-helix	trans	-59.6	-43	177.1	-176.5	59.5	0	0	0	112.4	I224 D233 L237 T242 I243 F244 V263 M266	I224-L240 HydrophobicContact CD1-CD1 4.09Å; D233-L240 WeakPolarHBondContact OD2-CB 3.33Å; D233-L240 PolarHBondContact OD2-N 3.35Å; L237-L240 HydrophobicContact CB-CB 4.33Å; L237-L240 PolarHBondContact O-N 2.84Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.25Å; L240-I243 WeakPolarHBondContact O-CB 3.4Å; L240-I243 PolarHBondContact O-N 3.43Å; L240-F244 HydrophobicContact CD1-CE1 4.43Å; L240-F244 HydrophobicContact CD1-CE2 4.34Å; L240-F244 HydrophobicContact CD1-CZ 4.26Å; L240-F244 HydrophobicContact CG-CE2 4.37Å; L240-F244 PolarHBondContact O-N 2.84Å; L240-F244 VanDerWaalsContact O-N 3.1Å; L240-V263 HydrophobicContact CD2-CG1 4.43Å; L240-V263 HydrophobicContact CD2-CG2 4.48Å; L240-M266 HydrophobicContact CD2-CE 3.68Å; L240-M266 HydrophobicContact CD2-SD 4.19Å; L240-M266 HydrophobicContact CG-CE 4.06Å; L240-M266 HydrophobicContact CG-SD 4.35Å
241	R	87.6	Confident	86	Confident	43 Å²	43	31.8 Å²	31.8	16%	0.162	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-39.4	174.8	-72.2	173.3	-178.5	-77.7	0.7	111.9	S236 L237 R239 F244 A245 M266 S270 E390	S236-R241 PolarHBondContact O-NE 2.63Å; L237-R241 WeakPolarHBondContact O-CB 3.2Å; L237-R241 WeakPolarHBondContact O-CG 3.43Å; L237-R241 PolarHBondContact O-N 3.46Å; R239-R241 VanDerWaalsContact C-N 3.34Å; R239-R241 PolarHBondContact O-N 3.39Å; R241-F244 PolarHBondContact O-N 3.42Å; R241-A245 PolarHBondContact O-N 2.98Å; R241-M266 HydrophobicContact CG-CG 4.47Å; R241-M266 HydrophobicContact CG-SD 3.7Å; R241-S270 PolarHBondContact NH1-OG 3.16Å; R241-E390 HydrophobicContact CB-CB 3.76Å; R241-E390 HydrophobicContact CB-CG 4.2Å
242	T	87.7	Confident	86.6	Confident	14 Å²	14	28.7 Å²	28.7	9%	0.086	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-39.8	177.8	-56.5	0	0	0	0	111.8	S238 R239 L240 F244 A245 T246 M388 D389 E390	S238-T242 WeakPolarHBondContact O-CB 3.3Å; S238-T242 PolarHBondContact O-N 2.88Å; S238-T242 PolarHBondContact O-OG1 2.86Å; R239-T242 WeakPolarHBondContact O-CB 3.44Å; R239-T242 PolarHBondContact O-N 3.04Å; R239-T242 VanDerWaalsContact O-N 3.08Å; L240-T242 VanDerWaalsContact C-N 3.3Å; L240-T242 PolarHBondContact O-N 3.25Å; T242-F244 VanDerWaalsContact C-N 3.33Å; T242-F244 PolarHBondContact O-N 3.19Å; T242-A245 PolarHBondContact O-N 2.94Å; T242-T246 WeakPolarHBondContact O-CB 3.46Å; T242-T246 PolarHBondContact O-N 3.02Å; T242-T246 PolarHBondContact O-OG1 3.32Å; T242-M388 WeakPolarHBondContact CG2-O 3.44Å; T242-D389 WeakPolarHBondContact OG1-CA 3.09Å; T242-E390 PolarHBondContact OG1-N 2.85Å
243	I	89.5	Confident	87.1	Confident	25 Å²	25	23.7 Å²	23.7	13%	0.128	14%	0.135	C	C	.	.	H	α-helix	trans	-56.7	-49.1	171.9	-67.5	168.7	0	0	0	109.9	F231 R239 L240 A245 T246 F247 Y365	F231-I243 HydrophobicContact CE1-CD1 4.32Å; F231-I243 HydrophobicContact CE2-CD1 4.2Å; F231-I243 HydrophobicContact CZ-CD1 3.57Å; R239-I243 WeakPolarHBondContact O-CG1 3.49Å; R239-I243 PolarHBondContact O-N 3.5Å; L240-I243 WeakPolarHBondContact O-CB 3.4Å; L240-I243 PolarHBondContact O-N 3.43Å; I243-A245 PolarHBondContact O-N 2.72Å; I243-T246 PolarHBondContact O-N 2.98Å; I243-F247 HydrophobicContact CG2-CD2 4.35Å; I243-F247 PolarHBondContact O-N 3.33Å; I243-Y365 HydrophobicContact CD1-CD1 4.17Å; I243-Y365 HydrophobicContact CD1-CE1 3.51Å; I243-Y365 HydrophobicContact CG1-CD1 4.34Å; I243-Y365 HydrophobicContact CG1-CE1 3.44Å; I243-Y365 VanDerWaalsContact CG1-CE1 3.44Å; I243-Y365 WeakPolarHBondContact CG1-OH 3.44Å
244	F	88	Confident	87.6	Confident	12 Å²	12	22.3 Å²	22.3	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-70.6	-27.7	-179.1	-71.6	-18.3	0	0	0	114.9	T222 I224 L240 R241 T242 F247 P248 P249 I252 M266 F267 L271	T222-F244 HydrophobicContact CG2-CE1 3.81Å; I224-F244 HydrophobicContact CD1-CE1 4.2Å; I224-F244 HydrophobicContact CD1-CE2 4.26Å; I224-F244 HydrophobicContact CD1-CZ 3.46Å; I224-F244 VanDerWaalsContact CD1-CZ 3.46Å; L240-F244 HydrophobicContact CD1-CE1 4.43Å; L240-F244 HydrophobicContact CD1-CE2 4.34Å; L240-F244 HydrophobicContact CD1-CZ 4.26Å; L240-F244 HydrophobicContact CG-CE2 4.37Å; L240-F244 PolarHBondContact O-N 2.84Å; L240-F244 VanDerWaalsContact O-N 3.1Å; R241-F244 PolarHBondContact O-N 3.42Å; T242-F244 VanDerWaalsContact C-N 3.33Å; T242-F244 PolarHBondContact O-N 3.19Å; F244-F247 CarbonylContact O-C 3.49Å; F244-P248 WeakPolarHBondContact O-CA 3.19Å; F244-P249 HydrophobicContact CD1-CB 4.45Å; F244-P249 HydrophobicContact CD1-CG 3.83Å; F244-P249 HydrophobicContact CD2-CG 4.45Å; F244-P249 HydrophobicContact CE1-CB 4.2Å; F244-P249 HydrophobicContact CE1-CG 3.89Å; F244-P249 HydrophobicContact CE2-CG 4.46Å; F244-P249 HydrophobicContact CG-CG 4.08Å; F244-P249 HydrophobicContact CZ-CG 4.15Å; F244-I252 HydrophobicContact CE2-CD1 4.27Å; F244-I252 HydrophobicContact CZ-CD1 3.93Å; F244-I252 HydrophobicContact CZ-CG1 4.48Å; F244-M266 HydrophobicContact CD2-CE 3.83Å; F244-M266 HydrophobicContact CE2-CE 3.45Å; F244-M266 VanDerWaalsContact CE2-CE 3.45Å; F244-F267 AromaticContact CE2-CE1 3.96Å; F244-F267 HydrophobicContact CE2-CE1 3.96Å; F244-F267 HydrophobicContact CZ-CE1 4.31Å; F244-L271 HydrophobicContact CD2-CD1 3.54Å; F244-L271 HydrophobicContact CE2-CD1 3.38Å; F244-L271 HydrophobicContact CG-CD1 4.49Å; F244-L271 HydrophobicContact CZ-CD1 4.25Å
245	A	84.7	Confident	88.2	Confident	3 Å²	3	21 Å²	21	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-68	-40.5	170.9	0	0	0	0	0	111.1	R241 T242 I243 E390 L393 L401 R429	R241-A245 PolarHBondContact O-N 2.98Å; T242-A245 PolarHBondContact O-N 2.94Å; I243-A245 PolarHBondContact O-N 2.72Å; A245-E390 HydrophobicContact CB-CB 4.23Å; A245-E390 HydrophobicContact CB-CG 4.22Å; A245-L393 HydrophobicContact CB-CD1 3.61Å; A245-L401 HydrophobicContact CB-CD2 3.73Å; A245-R429 PolarHBondContact O-NH2 3.25Å
246	T	83.8	Confident	88.7	Confident	11 Å²	11	20.3 Å²	20.3	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-74	-45.3	-179.5	-52.4	0	0	0	0	111.9	T242 I243 P248 C433	T242-T246 WeakPolarHBondContact O-CB 3.46Å; T242-T246 PolarHBondContact O-N 3.02Å; T242-T246 PolarHBondContact O-OG1 3.32Å; I243-T246 PolarHBondContact O-N 2.98Å; T246-P248 WeakPolarHBondContact O-CD 3.46Å; T246-C433 HydrophobicContact CG2-CB 3.97Å
247	F	87.8	Confident	89.1	Confident	49 Å²	49	22.5 Å²	22.5	22%	0.215	13%	0.126	C	C	.	.	S	Bend	trans	-123.8	84.4	-177.3	-51.2	-68.3	0	0	0	109.6	Y220 I243 F244 P249 Y365 F430	Y220-F247 HydrophobicContact CD1-CB 4.37Å; Y220-F247 HydrophobicContact CD2-CB 3.86Å; Y220-F247 HydrophobicContact CE1-CB 4.41Å; Y220-F247 AromaticContact CE1-CD1 4Å; Y220-F247 HydrophobicContact CE1-CD1 4Å; Y220-F247 HydrophobicContact CE2-CB 3.9Å; Y220-F247 HydrophobicContact CE2-CD1 4.06Å; Y220-F247 HydrophobicContact CE2-CG 4.5Å; Y220-F247 HydrophobicContact CG-CB 4.1Å; Y220-F247 AromaticContact CZ-CD1 3.64Å; I243-F247 HydrophobicContact CG2-CD2 4.35Å; I243-F247 PolarHBondContact O-N 3.33Å; F244-F247 CarbonylContact O-C 3.49Å; F247-P249 WeakPolarHBondContact O-CD 3.42Å; F247-Y365 AromaticContact CE2-CD2 3.8Å; F247-Y365 HydrophobicContact CE2-CD2 3.8Å; F247-Y365 AromaticContact CE2-CE2 3.75Å; F247-Y365 HydrophobicContact CE2-CE2 3.75Å; F247-Y365 HydrophobicContact CZ-CD2 4.49Å; F247-F430 HydrophobicContact CZ-CE2 4.45Å
248	P	87.7	Confident	89.2	Confident	21 Å²	21	27 Å²	27	14%	0.136	15%	0.145	C	C	.	.			trans	-60.6	119.1	-175.4	-26.1	36.3	0	0	0	112.5	Y220 F244 T246 A250	Y220-P248 WeakPolarHBondContact CD2-O 3.34Å; Y220-P248 PolarHBondContact N-O 2.6Å; F244-P248 WeakPolarHBondContact O-CA 3.19Å; T246-P248 WeakPolarHBondContact O-CD 3.46Å; P248-A250 PolarHBondContact O-N 3.21Å
249	P	91.5	Very high	89.4	Confident	4 Å²	4	27.7 Å²	27.7	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.9	179.2	29.1	-34.1	0	0	0	110	Y220 F244 F247 I252 L271 I274	Y220-P249 CarbonylContact O-C 3.58Å; Y220-P249 WeakPolarHBondContact O-CA 3.41Å; F244-P249 HydrophobicContact CD1-CB 4.45Å; F244-P249 HydrophobicContact CD1-CG 3.83Å; F244-P249 HydrophobicContact CD2-CG 4.45Å; F244-P249 HydrophobicContact CE1-CB 4.2Å; F244-P249 HydrophobicContact CE1-CG 3.89Å; F244-P249 HydrophobicContact CE2-CG 4.46Å; F244-P249 HydrophobicContact CG-CG 4.08Å; F244-P249 HydrophobicContact CZ-CG 4.15Å; F247-P249 WeakPolarHBondContact O-CD 3.42Å; P249-I252 HydrophobicContact CB-CD1 4.2Å; P249-I252 HydrophobicContact CB-CG1 3.8Å; P249-I252 HydrophobicContact CG-CD1 4.11Å; P249-I252 HydrophobicContact CG-CG1 4.28Å; P249-L271 HydrophobicContact CG-CD1 4.22Å; P249-L271 HydrophobicContact CG-CD2 4.22Å; P249-I274 HydrophobicContact CB-CG2 4.47Å; P249-I274 VanDerWaalsContact O-CD1 3.24Å; P249-I274 WeakPolarHBondContact O-CD1 3.22Å
250	A	90.3	Very high	89.5	Confident	3 Å²	3	26.2 Å²	26.2	3%	0.025	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-16.9	167.9	0	0	0	0	0	112.4	R201 A202 F219 Y220 P248 P275	R201-A250 HydrophobicContact CG-CB 4.34Å; A202-A250 HydrophobicContact CB-CB 3.88Å; F219-A250 HydrophobicContact CB-CB 3.57Å; F219-A250 HydrophobicContact CD1-CB 4.02Å; F219-A250 HydrophobicContact CG-CB 4.17Å; Y220-A250 PolarHBondContact O-N 3.15Å; P248-A250 PolarHBondContact O-N 3.21Å; A250-P275 WeakPolarHBondContact O-CD 3.36Å
251	Q	93.1	Very high	89.3	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	141.8	174.4	-174.9	171.8	3.4	0	0	109.3	T200 A202 Y220 L221 T222 P275 E277 Y346	T200-Q251 PolarHBondContact OG1-OE1 3.01Å; A202-Q251 HydrophobicContact CB-CB 3.48Å; A202-Q251 VanDerWaalsContact CB-CB 3.48Å; Y220-Q251 PolarHBondContact O-N 3.06Å; L221-Q251 HydrophobicContact CD1-CB 3.87Å; L221-Q251 HydrophobicContact CD1-CG 3.95Å; T222-Q251 PolarHBondContact N-O 3.32Å; Q251-P275 WeakPolarHBondContact CA-O 3.31Å; Q251-P275 HydrophobicContact CG-CB 4.29Å; Q251-E277 PolarHBondContact NE2-OE1 3.28Å; Q251-Y346 PolarHBondContact NE2-OH 3.48Å
252	I	94.7	Very high	89.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.7	-177.8	-58.3	171.9	0	0	0	110.5	T222 I224 F244 P249 F254 F267 L271 I274 P275 R276 E277	T222-I252 CarbonylContact O-C 3.57Å; T222-I252 VanDerWaalsContact O-CA 3.3Å; T222-I252 WeakPolarHBondContact O-CA 3.38Å; I224-I252 HydrophobicContact CD1-CG2 4.1Å; F244-I252 HydrophobicContact CE2-CD1 4.27Å; F244-I252 HydrophobicContact CZ-CD1 3.93Å; F244-I252 HydrophobicContact CZ-CG1 4.48Å; P249-I252 HydrophobicContact CB-CD1 4.2Å; P249-I252 HydrophobicContact CB-CG1 3.8Å; P249-I252 HydrophobicContact CG-CD1 4.11Å; P249-I252 HydrophobicContact CG-CG1 4.28Å; I252-F254 HydrophobicContact CG2-CD1 4.49Å; I252-F267 HydrophobicContact CD1-CD1 4.26Å; I252-F267 HydrophobicContact CD1-CE1 3.97Å; I252-F267 HydrophobicContact CD1-CZ 4.31Å; I252-F267 HydrophobicContact CG2-CE2 4.31Å; I252-F267 HydrophobicContact CG2-CZ 3.92Å; I252-L271 HydrophobicContact CD1-CD1 3.76Å; I252-I274 HydrophobicContact CD1-CG2 4.15Å; I252-I274 HydrophobicContact CG1-CG2 4.04Å; I252-P275 PolarHBondContact N-O 3.45Å; I252-R276 HydrophobicContact CB-CG 4.15Å; I252-R276 CarbonylContact O-C 3.31Å; I252-R276 WeakPolarHBondContact O-CA 3.46Å; I252-E277 PolarHBondContact O-N 3.27Å
253	L	94.9	Very high	89.4	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.3	173	-48.9	-179.1	0	0	0	109.5	L221 T222 A223 I224 E277 L279 I343 Y346	L221-L253 HydrophobicContact CD1-CD1 4.07Å; L221-L253 HydrophobicContact CD1-CD2 4.21Å; L221-L253 HydrophobicContact CD1-CG 3.97Å; L221-L253 HydrophobicContact CD2-CD1 4.37Å; L221-L253 HydrophobicContact CG-CD1 4.33Å; T222-L253 PolarHBondContact O-N 2.83Å; A223-L253 CarbonylContact C-O 3.53Å; A223-L253 VanDerWaalsContact CA-O 3.31Å; A223-L253 WeakPolarHBondContact CA-O 3.38Å; A223-L253 HydrophobicContact CB-CB 4.18Å; I224-L253 PolarHBondContact N-O 2.97Å; L253-E277 WeakPolarHBondContact CA-O 3.35Å; L253-E277 HydrophobicContact CD2-CB 3.92Å; L253-L279 HydrophobicContact CB-CD1 4.16Å; L253-L279 HydrophobicContact CD1-CD1 4.39Å; L253-I343 HydrophobicContact CD1-CD1 4.21Å; L253-Y346 HydrophobicContact CD1-CD1 4.45Å; L253-Y346 HydrophobicContact CD1-CD2 4.19Å; L253-Y346 HydrophobicContact CD1-CG 3.8Å; L253-Y346 HydrophobicContact CD2-CD2 3.87Å; L253-Y346 HydrophobicContact CD2-CE2 4.18Å; L253-Y346 HydrophobicContact CD2-CG 4.14Å
254	F	94.3	Very high	89.3	Confident	24 Å²	24	34.6 Å²	34.6	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	155.9	178	60.9	-84.6	0	0	0	111.6	I252 R256 L259 R276 E277 G278 L279	I252-F254 HydrophobicContact CG2-CD1 4.49Å; F254-R256 PolarHBondContact O-N 3.36Å; F254-L259 HydrophobicContact CB-CD1 3.61Å; F254-L259 HydrophobicContact CB-CD2 4.22Å; F254-L259 HydrophobicContact CB-CG 4Å; F254-L259 HydrophobicContact CD1-CD1 4.22Å; F254-L259 HydrophobicContact CD2-CD1 3.48Å; F254-L259 VanDerWaalsContact CD2-CD1 3.48Å; F254-L259 HydrophobicContact CD2-CG 3.84Å; F254-L259 HydrophobicContact CE2-CD1 4.19Å; F254-L259 HydrophobicContact CG-CD1 3.5Å; F254-L259 HydrophobicContact CG-CG 4.15Å; F254-R276 HydrophobicContact CE1-CB 4.08Å; F254-E277 VanDerWaalsContact CD1-O 3.25Å; F254-E277 WeakPolarHBondContact CD1-O 3.39Å; F254-E277 VanDerWaalsContact CE1-C 3.42Å; F254-E277 WeakPolarHBondContact CE1-O 3.42Å; F254-E277 PolarHBondContact N-O 3.25Å; F254-G278 CarbonylContact O-C 3.59Å; F254-G278 WeakPolarHBondContact O-CA 3.49Å; F254-L279 PolarHBondContact O-N 3.08Å
255	P	92.2	Very high	89.2	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	124	175.2	21.7	-20	0	0	0	109.6	I224 G257 K258 F285	I224-P255 WeakPolarHBondContact O-CD 3.47Å; P255-G257 PolarHBondContact O-N 3.47Å; P255-K258 HydrophobicContact CB-CB 4Å; P255-K258 HydrophobicContact CB-CG 3.96Å; P255-K258 HydrophobicContact CG-CB 3.84Å; P255-K258 HydrophobicContact CG-CG 4.29Å; P255-K258 PolarHBondContact O-N 2.83Å; P255-F285 HydrophobicContact CB-CB 4.17Å; P255-F285 HydrophobicContact CB-CD1 4.12Å; P255-F285 HydrophobicContact CB-CD2 4.02Å; P255-F285 HydrophobicContact CB-CE2 4.49Å; P255-F285 HydrophobicContact CB-CG 3.82Å; P255-F285 VanDerWaalsContact CD-CE2 3.43Å; P255-F285 HydrophobicContact CG-CD1 4.24Å; P255-F285 HydrophobicContact CG-CD2 4.23Å; P255-F285 HydrophobicContact CG-CE1 4.19Å; P255-F285 HydrophobicContact CG-CE2 4.2Å; P255-F285 HydrophobicContact CG-CG 4.26Å; P255-F285 HydrophobicContact CG-CZ 4.17Å
256	R	88.8	Confident	89.2	Confident	76 Å²	76	35.8 Å²	35.8	29%	0.287	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	132.6	-177.1	-172.4	170.1	171.9	164.2	-13.8	111	D74 Y77 F254 K258 L279	D74-R256 PolarHBondContact O-NH2 3Å; Y77-R256 PolarHBondContact O-NH1 2.96Å; F254-R256 PolarHBondContact O-N 3.36Å; R256-K258 PolarHBondContact O-N 3.04Å; R256-L279 WeakPolarHBondContact CB-O 3.31Å; R256-L279 PolarHBondContact N-O 3.31Å
257	G	86.3	Confident	89.4	Confident	78 Å²	78	35.3 Å²	35.3	80%	0.804	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	14.7	178	0	0	0	0	0	115.3	P255	P255-G257 PolarHBondContact O-N 3.47Å
258	K	88.3	Confident	89.1	Confident	119 Å²	119	39.2 Å²	39.2	52%	0.517	22%	0.219	S	C	.	.			trans	-113.3	-12.9	-178.8	-65.9	-63.4	-178	-172.4	0	115.2	P255 R256	P255-K258 HydrophobicContact CB-CB 4Å; P255-K258 HydrophobicContact CB-CG 3.96Å; P255-K258 HydrophobicContact CG-CB 3.84Å; P255-K258 HydrophobicContact CG-CG 4.29Å; P255-K258 PolarHBondContact O-N 2.83Å; R256-K258 PolarHBondContact O-N 3.04Å
259	L	88.7	Confident	88.6	Confident	25 Å²	25	41.2 Å²	41.2	13%	0.131	23%	0.226	C	C	.	.	S	Bend	trans	-80.3	145.5	177.5	-64.2	-174.7	0	0	0	112	I224 E226 F254 V263 M264 F267	I224-L259 HydrophobicContact CG2-CD2 4.17Å; E226-L259 HydrophobicContact CB-CD2 4.15Å; F254-L259 HydrophobicContact CB-CD1 3.61Å; F254-L259 HydrophobicContact CB-CD2 4.22Å; F254-L259 HydrophobicContact CB-CG 4Å; F254-L259 HydrophobicContact CD1-CD1 4.22Å; F254-L259 HydrophobicContact CD2-CD1 3.48Å; F254-L259 VanDerWaalsContact CD2-CD1 3.48Å; F254-L259 HydrophobicContact CD2-CG 3.84Å; F254-L259 HydrophobicContact CE2-CD1 4.19Å; F254-L259 HydrophobicContact CG-CD1 3.5Å; F254-L259 HydrophobicContact CG-CG 4.15Å; L259-V263 HydrophobicContact CD1-CG1 4.08Å; L259-V263 HydrophobicContact CD2-CG1 4.44Å; L259-M264 HydrophobicContact CB-CG 4.17Å; L259-M264 HydrophobicContact CB-SD 4.35Å; L259-M264 HydrophobicContact CD1-SD 4Å; L259-F267 HydrophobicContact CD1-CE2 3.58Å; L259-F267 HydrophobicContact CD1-CZ 4.16Å
260	S	89.4	Confident	88	Confident	16 Å²	16	41.9 Å²	41.9	11%	0.112	23%	0.231	C	C	.	.			trans	-69.6	158	176	90	0	0	0	0	112.7	E226 E262 V263 M264	E226-S260 WeakPolarHBondContact OE1-CB 3.29Å; E226-S260 VanDerWaalsContact OE2-CB 3.29Å; E226-S260 WeakPolarHBondContact OE2-CB 3.41Å; E226-S260 PolarHBondContact OE2-N 3.36Å; S260-E262 WeakPolarHBondContact CB-OE2 3.38Å; S260-E262 PolarHBondContact O-N 3.19Å; S260-E262 PolarHBondContact OG-N 3.4Å; S260-E262 PolarHBondContact OG-OE2 3.14Å; S260-V263 PolarHBondContact O-N 3.03Å; S260-V263 PolarHBondContact OG-N 3.2Å; S260-M264 WeakPolarHBondContact O-CG 3.44Å; S260-M264 PolarHBondContact O-N 3.09Å; S260-M264 VanDerWaalsContact O-N 3.11Å
261	P	87	Confident	87.7	Confident	100 Å²	100	42.1 Å²	42.1	65%	0.649	23%	0.232	S	C	*	.	H	α-helix	trans	-56	-34.5	172	-24.4	35.1	0	0	0	113.3	M264 A265	P261-M264 PolarHBondContact O-N 3.32Å; P261-A265 VanDerWaalsContact O-CB 3.29Å; P261-A265 WeakPolarHBondContact O-CB 3.38Å; P261-A265 PolarHBondContact O-N 3.16Å
262	E	86.8	Confident	87.1	Confident	109 Å²	109	46 Å²	46	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-47.3	-179	-60.4	71.9	-154.6	0	0	111.2	L237 S260 M264 A265 M266	L237-E262 HydrophobicContact CD1-CB 4.16Å; S260-E262 WeakPolarHBondContact CB-OE2 3.38Å; S260-E262 PolarHBondContact O-N 3.19Å; S260-E262 PolarHBondContact OG-N 3.4Å; S260-E262 PolarHBondContact OG-OE2 3.14Å; E262-M264 VanDerWaalsContact C-N 3.33Å; E262-M264 PolarHBondContact O-N 3.22Å; E262-A265 WeakPolarHBondContact O-CB 3.39Å; E262-A265 PolarHBondContact O-N 3.49Å; E262-M266 PolarHBondContact O-N 3.18Å
263	V	89.8	Confident	86.6	Confident	7 Å²	7	53 Å²	53	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-43.6	176	177.5	0	0	0	0	110.2	L237 L240 L259 S260 A265 M266 F267	L237-V263 HydrophobicContact CD1-CB 4.38Å; L237-V263 HydrophobicContact CD1-CG2 3.83Å; L237-V263 HydrophobicContact CD2-CG2 4.37Å; L240-V263 HydrophobicContact CD2-CG1 4.43Å; L240-V263 HydrophobicContact CD2-CG2 4.48Å; L259-V263 HydrophobicContact CD1-CG1 4.08Å; L259-V263 HydrophobicContact CD2-CG1 4.44Å; S260-V263 PolarHBondContact O-N 3.03Å; S260-V263 PolarHBondContact OG-N 3.2Å; V263-A265 VanDerWaalsContact C-N 3.3Å; V263-A265 PolarHBondContact O-N 3.43Å; V263-M266 WeakPolarHBondContact O-CB 3.25Å; V263-M266 PolarHBondContact O-N 3.45Å; V263-F267 HydrophobicContact CG1-CD1 4.48Å; V263-F267 HydrophobicContact CG1-CE1 3.86Å; V263-F267 HydrophobicContact CG1-CE2 3.93Å; V263-F267 HydrophobicContact CG1-CZ 3.55Å; V263-F267 WeakPolarHBondContact O-CG 3.41Å; V263-F267 PolarHBondContact O-N 3.23Å
264	M	88	Confident	86.3	Confident	59 Å²	59	54.2 Å²	54.2	29%	0.291	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-34.3	177.6	-71	-62.6	-71.8	0	0	112.6	L259 S260 P261 E262 F267 K268	L259-M264 HydrophobicContact CB-CG 4.17Å; L259-M264 HydrophobicContact CB-SD 4.35Å; L259-M264 HydrophobicContact CD1-SD 4Å; S260-M264 WeakPolarHBondContact O-CG 3.44Å; S260-M264 PolarHBondContact O-N 3.09Å; S260-M264 VanDerWaalsContact O-N 3.11Å; P261-M264 PolarHBondContact O-N 3.32Å; E262-M264 VanDerWaalsContact C-N 3.33Å; E262-M264 PolarHBondContact O-N 3.22Å; M264-F267 HydrophobicContact SD-CD2 4.05Å; M264-F267 HydrophobicContact SD-CE2 4.41Å; M264-K268 WeakPolarHBondContact O-CG 3.47Å; M264-K268 PolarHBondContact O-N 3.03Å
265	A	84.9	Confident	86.1	Confident	38 Å²	38	55.3 Å²	55.3	31%	0.314	31%	0.309	S	S	.	.	H	α-helix	trans	-67.7	-43.9	173.5	0	0	0	0	0	111.3	P261 E262 V263 F267 K268 Q269	P261-A265 VanDerWaalsContact O-CB 3.29Å; P261-A265 WeakPolarHBondContact O-CB 3.38Å; P261-A265 PolarHBondContact O-N 3.16Å; E262-A265 WeakPolarHBondContact O-CB 3.39Å; E262-A265 PolarHBondContact O-N 3.49Å; V263-A265 VanDerWaalsContact C-N 3.3Å; V263-A265 PolarHBondContact O-N 3.43Å; A265-F267 VanDerWaalsContact C-N 3.32Å; A265-F267 PolarHBondContact O-N 3.45Å; A265-K268 PolarHBondContact O-N 3.46Å; A265-K268 VanDerWaalsContact O-N 3.13Å; A265-Q269 PolarHBondContact O-N 2.97Å
266	M	85.5	Confident	86	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-56.3	-45.9	174.5	-179.2	-166.9	74.6	0	0	111.4	L237 L240 R241 F244 E262 V263 K268 Q269 S270 L271	L237-M266 HydrophobicContact CD1-CB 4.33Å; L237-M266 HydrophobicContact CD1-SD 4.42Å; L240-M266 HydrophobicContact CD2-CE 3.68Å; L240-M266 HydrophobicContact CD2-SD 4.19Å; L240-M266 HydrophobicContact CG-CE 4.06Å; L240-M266 HydrophobicContact CG-SD 4.35Å; R241-M266 HydrophobicContact CG-CG 4.47Å; R241-M266 HydrophobicContact CG-SD 3.7Å; F244-M266 HydrophobicContact CD2-CE 3.83Å; F244-M266 HydrophobicContact CE2-CE 3.45Å; F244-M266 VanDerWaalsContact CE2-CE 3.45Å; E262-M266 PolarHBondContact O-N 3.18Å; V263-M266 WeakPolarHBondContact O-CB 3.25Å; V263-M266 PolarHBondContact O-N 3.45Å; M266-K268 VanDerWaalsContact C-N 3.3Å; M266-K268 PolarHBondContact O-N 3.11Å; M266-Q269 PolarHBondContact O-N 2.85Å; M266-Q269 VanDerWaalsContact O-N 3.13Å; M266-S270 PolarHBondContact O-N 3.27Å; M266-L271 HydrophobicContact CE-CD1 4.42Å
267	F	87.2	Confident	86.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-41	177.6	-67.4	-12	0	0	0	112.5	I224 F244 I252 L259 V263 M264 A265 Q269 L271 V272	I224-F267 HydrophobicContact CD1-CE1 4.07Å; I224-F267 HydrophobicContact CD1-CZ 3.77Å; F244-F267 AromaticContact CE2-CE1 3.96Å; F244-F267 HydrophobicContact CE2-CE1 3.96Å; F244-F267 HydrophobicContact CZ-CE1 4.31Å; I252-F267 HydrophobicContact CD1-CD1 4.26Å; I252-F267 HydrophobicContact CD1-CE1 3.97Å; I252-F267 HydrophobicContact CD1-CZ 4.31Å; I252-F267 HydrophobicContact CG2-CE2 4.31Å; I252-F267 HydrophobicContact CG2-CZ 3.92Å; L259-F267 HydrophobicContact CD1-CE2 3.58Å; L259-F267 HydrophobicContact CD1-CZ 4.16Å; V263-F267 HydrophobicContact CG1-CD1 4.48Å; V263-F267 HydrophobicContact CG1-CE1 3.86Å; V263-F267 HydrophobicContact CG1-CE2 3.93Å; V263-F267 HydrophobicContact CG1-CZ 3.55Å; V263-F267 WeakPolarHBondContact O-CG 3.41Å; V263-F267 PolarHBondContact O-N 3.23Å; M264-F267 HydrophobicContact SD-CD2 4.05Å; M264-F267 HydrophobicContact SD-CE2 4.41Å; A265-F267 VanDerWaalsContact C-N 3.32Å; A265-F267 PolarHBondContact O-N 3.45Å; F267-Q269 VanDerWaalsContact C-N 3.29Å; F267-Q269 PolarHBondContact O-N 2.85Å; F267-L271 HydrophobicContact CD1-CD1 4Å; F267-L271 HydrophobicContact CE1-CD1 4.44Å; F267-L271 CarbonylContact O-C 3.55Å; F267-L271 WeakPolarHBondContact O-CA 3.01Å; F267-L271 PolarHBondContact O-N 3.42Å; F267-V272 PolarHBondContact O-N 2.65Å
268	K	82.6	Confident	86.3	Confident	132 Å²	132	52.5 Å²	52.5	57%	0.574	28%	0.281	S	S	*	.	H	α-helix	trans	-72	-21.3	178.6	-69.9	172.3	-175.6	175.5	0	113.5	M264 A265 M266 V272	M264-K268 WeakPolarHBondContact O-CG 3.47Å; M264-K268 PolarHBondContact O-N 3.03Å; A265-K268 PolarHBondContact O-N 3.46Å; A265-K268 VanDerWaalsContact O-N 3.13Å; M266-K268 VanDerWaalsContact C-N 3.3Å; M266-K268 PolarHBondContact O-N 3.11Å; K268-V272 WeakPolarHBondContact O-CG2 2.88Å
269	Q	76.7	Confident	86.6	Confident	63 Å²	63	46.9 Å²	46.9	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-92.8	-52.6	-178.4	-174.5	-170.1	0.5	0	0	111.7	A265 M266 F267 S798 T801	A265-Q269 PolarHBondContact O-N 2.97Å; M266-Q269 PolarHBondContact O-N 2.85Å; M266-Q269 VanDerWaalsContact O-N 3.13Å; F267-Q269 VanDerWaalsContact C-N 3.29Å; F267-Q269 PolarHBondContact O-N 2.85Å; Q269-S798 VanDerWaalsContact CD-OG 3.27Å; Q269-S798 PolarHBondContact NE2-OG 2.92Å; Q269-T801 HydrophobicContact CB-CG2 4.5Å
270	S	78.2	Confident	86.7	Confident	18 Å²	18	46.7 Å²	46.7	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-102	-20.2	-167.7	-59.7	0	0	0	0	113.2	R241 M266 Y403	R241-S270 PolarHBondContact NH1-OG 3.16Å; M266-S270 PolarHBondContact O-N 3.27Å; S270-Y403 WeakPolarHBondContact O-CD1 3.26Å
271	L	83.5	Confident	86.8	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.042	27%	0.266	C	S	.	.			trans	-129.6	35.9	-169.3	-56.1	173.2	0	0	0	112.1	F244 P249 I252 M266 F267 N273 I274	F244-L271 HydrophobicContact CD2-CD1 3.54Å; F244-L271 HydrophobicContact CE2-CD1 3.38Å; F244-L271 HydrophobicContact CG-CD1 4.49Å; F244-L271 HydrophobicContact CZ-CD1 4.25Å; P249-L271 HydrophobicContact CG-CD1 4.22Å; P249-L271 HydrophobicContact CG-CD2 4.22Å; I252-L271 HydrophobicContact CD1-CD1 3.76Å; M266-L271 HydrophobicContact CE-CD1 4.42Å; F267-L271 HydrophobicContact CD1-CD1 4Å; F267-L271 HydrophobicContact CE1-CD1 4.44Å; F267-L271 CarbonylContact O-C 3.55Å; F267-L271 WeakPolarHBondContact O-CA 3.01Å; F267-L271 PolarHBondContact O-N 3.42Å; L271-N273 PolarHBondContact O-N 3.12Å; L271-I274 HydrophobicContact CB-CB 4.18Å; L271-I274 HydrophobicContact CB-CG1 3.96Å; L271-I274 HydrophobicContact CD2-CG1 4.1Å; L271-I274 PolarHBondContact O-N 2.91Å
272	V	82	Confident	86.7	Confident	85 Å²	85	51.9 Å²	51.9	52%	0.515	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-42.2	-174.9	177.9	0	0	0	0	112.2	F267 K268 I274	F267-V272 PolarHBondContact O-N 2.65Å; K268-V272 WeakPolarHBondContact O-CG2 2.88Å; V272-I274 VanDerWaalsContact C-N 3.32Å
273	N	82.9	Confident	86.8	Confident	147 Å²	147	51.1 Å²	51.1	79%	0.786	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	2	-174.6	-61.1	-27.3	0	0	0	113.4	L271 P275	L271-N273 PolarHBondContact O-N 3.12Å; N273-P275 WeakPolarHBondContact O-CD 3.44Å
274	I	88.4	Confident	86.9	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.128	28%	0.275	C	S	.	.	S	Bend	trans	-90.8	122.1	-179.4	-55.1	-52.1	0	0	0	109.5	P249 I252 L271 V272 R276	P249-I274 HydrophobicContact CB-CG2 4.47Å; P249-I274 VanDerWaalsContact O-CD1 3.24Å; P249-I274 WeakPolarHBondContact O-CD1 3.22Å; I252-I274 HydrophobicContact CD1-CG2 4.15Å; I252-I274 HydrophobicContact CG1-CG2 4.04Å; L271-I274 HydrophobicContact CB-CB 4.18Å; L271-I274 HydrophobicContact CB-CG1 3.96Å; L271-I274 HydrophobicContact CD2-CG1 4.1Å; L271-I274 PolarHBondContact O-N 2.91Å; V272-I274 VanDerWaalsContact C-N 3.32Å; I274-R276 PolarHBondContact O-NE 3.08Å
275	P	89.8	Confident	87.2	Confident	47 Å²	47	49 Å²	49	31%	0.305	26%	0.263	S	S	.	.			trans	-55.3	139.9	172	-25.3	34	0	0	0	112	A250 Q251 I252 N273	A250-P275 WeakPolarHBondContact O-CD 3.36Å; Q251-P275 WeakPolarHBondContact CA-O 3.31Å; Q251-P275 HydrophobicContact CG-CB 4.29Å; I252-P275 PolarHBondContact N-O 3.45Å; N273-P275 WeakPolarHBondContact O-CD 3.44Å
276	R	90.8	Very high	87.5	Confident	65 Å²	65	48 Å²	48	25%	0.245	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.4	-171.7	-81.1	169.3	-71.9	164.6	-0.1	109.8	I252 F254 I274	I252-R276 HydrophobicContact CB-CG 4.15Å; I252-R276 CarbonylContact O-C 3.31Å; I252-R276 WeakPolarHBondContact O-CA 3.46Å; F254-R276 HydrophobicContact CE1-CB 4.08Å; I274-R276 PolarHBondContact O-NE 3.08Å
277	E	91.1	Very high	87.8	Confident	15 Å²	15	50 Å²	50	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.8	-177	-75.3	177.2	-139.1	0	0	112.2	H80 K165 Q251 I252 L253 F254 L279 Y346	H80-E277 IonicContact CE1-OE2 3.64Å; H80-E277 PolarHBondContact CE1-OE2 3.16Å; H80-E277 IonicContact NE2-OE2 3.59Å; K165-E277 WeakPolarHBondContact CE-OE1 3.33Å; K165-E277 IonicContact NZ-OE1 3.38Å; K165-E277 PolarHBondContact NZ-OE1 3.13Å; K165-E277 IonicContact NZ-OE2 2.68Å; K165-E277 PolarHBondContact NZ-OE2 2.94Å; Q251-E277 PolarHBondContact NE2-OE1 3.28Å; I252-E277 PolarHBondContact O-N 3.27Å; L253-E277 WeakPolarHBondContact CA-O 3.35Å; L253-E277 HydrophobicContact CD2-CB 3.92Å; F254-E277 VanDerWaalsContact CD1-O 3.25Å; F254-E277 WeakPolarHBondContact CD1-O 3.39Å; F254-E277 VanDerWaalsContact CE1-C 3.42Å; F254-E277 WeakPolarHBondContact CE1-O 3.42Å; F254-E277 PolarHBondContact N-O 3.25Å; E277-L279 HydrophobicContact CB-CD2 4.37Å; E277-L279 PolarHBondContact O-N 3.34Å; E277-Y346 PolarHBondContact OE1-OH 3.4Å; E277-Y346 WeakPolarHBondContact OE2-CE2 3.47Å
278	G	91.5	Very high	88.1	Confident	22 Å²	22	50.9 Å²	50.9	23%	0.227	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	100.9	174	0	0	0	0	0	109.7	F254	F254-G278 CarbonylContact O-C 3.59Å; F254-G278 WeakPolarHBondContact O-CA 3.49Å
279	L	93.4	Very high	88.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.9	-178.9	-59.5	-173.2	0	0	0	111.4	L253 F254 R256 E277 P281 Q284 F285 A342 W345	L253-L279 HydrophobicContact CB-CD1 4.16Å; L253-L279 HydrophobicContact CD1-CD1 4.39Å; F254-L279 PolarHBondContact O-N 3.08Å; R256-L279 WeakPolarHBondContact CB-O 3.31Å; R256-L279 PolarHBondContact N-O 3.31Å; E277-L279 HydrophobicContact CB-CD2 4.37Å; E277-L279 PolarHBondContact O-N 3.34Å; L279-P281 WeakPolarHBondContact O-CD 3.38Å; L279-Q284 HydrophobicContact CB-CB 3.84Å; L279-Q284 HydrophobicContact CD2-CB 4.46Å; L279-F285 HydrophobicContact CB-CB 4.06Å; L279-F285 HydrophobicContact CB-CD2 4.19Å; L279-F285 HydrophobicContact CD1-CD2 4.14Å; L279-A342 HydrophobicContact CD1-CB 3.95Å; L279-W345 HydrophobicContact CD1-CE3 3.86Å; L279-W345 HydrophobicContact CD1-CZ3 4.13Å; L279-W345 HydrophobicContact CD2-CE3 4.05Å; L279-W345 HydrophobicContact CD2-CH2 4.08Å; L279-W345 HydrophobicContact CD2-CZ3 3.43Å; L279-W345 VanDerWaalsContact CD2-CZ3 3.43Å; L279-W345 HydrophobicContact CG-CZ3 4.41Å
280	L	92.2	Very high	89.3	Confident	21 Å²	21	45.9 Å²	45.9	11%	0.11	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-61.6	125	174.9	-70.5	176.3	0	0	0	110.6	D78 T283 Q284 F285	D78-L280 HydrophobicContact CB-CD1 4.06Å; L280-T283 VanDerWaalsContact CB-OG1 3.31Å; L280-T283 WeakPolarHBondContact CB-OG1 3.39Å; L280-Q284 HydrophobicContact CB-CB 4.39Å; L280-Q284 HydrophobicContact CB-CG 4.1Å; L280-Q284 PolarHBondContact O-N 2.87Å; L280-F285 PolarHBondContact O-N 2.9Å
281	P	89.6	Confident	90	Very high	54 Å²	54	45.1 Å²	45.1	35%	0.351	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-59.2	147	177.8	-24.7	34.5	0	0	0	112.7	L279 T283	L279-P281 WeakPolarHBondContact O-CD 3.38Å; P281-T283 PolarHBondContact O-N 3.36Å
282	K	85.9	Confident	90.5	Very high	171 Å²	171	44.8 Å²	44.8	74%	0.743	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-38.3	-179.2	-52.4	177.9	178.8	177.4	0	115.4	F285	K282-F285 WeakPolarHBondContact CA-O 3.41Å; K282-F285 PolarHBondContact N-O 2.72Å
283	T	88.6	Confident	91	Very high	94 Å²	94	46.8 Å²	46.8	58%	0.577	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-53.4	-178	52.1	0	0	0	0	112.4	L280 P281	L280-T283 VanDerWaalsContact CB-OG1 3.31Å; L280-T283 WeakPolarHBondContact CB-OG1 3.39Å; P281-T283 PolarHBondContact O-N 3.36Å
284	Q	92.3	Very high	91.4	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-41.1	179.4	-59.5	175.4	-17.8	0	0	110.6	D78 L279 L280 C286 W345	D78-Q284 PolarHBondContact OD2-NE2 2.89Å; L279-Q284 HydrophobicContact CB-CB 3.84Å; L279-Q284 HydrophobicContact CD2-CB 4.46Å; L280-Q284 HydrophobicContact CB-CB 4.39Å; L280-Q284 HydrophobicContact CB-CG 4.1Å; L280-Q284 PolarHBondContact O-N 2.87Å; Q284-C286 PolarHBondContact O-N 3.05Å; Q284-W345 HydrophobicContact CB-CD2 3.99Å; Q284-W345 HydrophobicContact CB-CE3 4.31Å; Q284-W345 HydrophobicContact CB-CH2 4.25Å; Q284-W345 HydrophobicContact CB-CZ2 3.92Å; Q284-W345 HydrophobicContact CB-CZ3 4.42Å; Q284-W345 HydrophobicContact CG-CD2 4.43Å; Q284-W345 HydrophobicContact CG-CH2 4.01Å; Q284-W345 HydrophobicContact CG-CZ2 3.48Å; Q284-W345 VanDerWaalsContact CG-CZ2 3.48Å; Q284-W345 WeakPolarHBondContact O-CB 3.32Å
285	F	94	Very high	91.6	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-97.9	83.7	171.5	-150	-70.9	0	0	0	109.8	C225 P255 L279 L280 K282 S338 A342	C225-F285 HydrophobicContact CB-CE1 3.85Å; C225-F285 HydrophobicContact CB-CZ 3.84Å; P255-F285 HydrophobicContact CB-CB 4.17Å; P255-F285 HydrophobicContact CB-CD1 4.12Å; P255-F285 HydrophobicContact CB-CD2 4.02Å; P255-F285 HydrophobicContact CB-CE2 4.49Å; P255-F285 HydrophobicContact CB-CG 3.82Å; P255-F285 VanDerWaalsContact CD-CE2 3.43Å; P255-F285 HydrophobicContact CG-CD1 4.24Å; P255-F285 HydrophobicContact CG-CD2 4.23Å; P255-F285 HydrophobicContact CG-CE1 4.19Å; P255-F285 HydrophobicContact CG-CE2 4.2Å; P255-F285 HydrophobicContact CG-CG 4.26Å; P255-F285 HydrophobicContact CG-CZ 4.17Å; L279-F285 HydrophobicContact CB-CB 4.06Å; L279-F285 HydrophobicContact CB-CD2 4.19Å; L279-F285 HydrophobicContact CD1-CD2 4.14Å; L280-F285 PolarHBondContact O-N 2.9Å; K282-F285 WeakPolarHBondContact CA-O 3.41Å; K282-F285 PolarHBondContact N-O 2.72Å; F285-S338 WeakPolarHBondContact CE1-OG 3.42Å; F285-A342 HydrophobicContact CD1-CB 4.41Å; F285-A342 HydrophobicContact CD2-CB 3.44Å; F285-A342 VanDerWaalsContact CD2-CB 3.44Å; F285-A342 HydrophobicContact CE1-CB 4.34Å; F285-A342 HydrophobicContact CE2-CB 3.33Å; F285-A342 HydrophobicContact CG-CB 4Å; F285-A342 HydrophobicContact CZ-CB 3.83Å
286	C	91.4	Very high	91.6	Very high	17 Å²	17	39.7 Å²	39.7	12%	0.115	22%	0.217	C	C	.	.			trans	-63	153.2	-173.2	-66.2	0	0	0	0	113.8	Q284 D290 S338	Q284-C286 PolarHBondContact O-N 3.05Å; C286-D290 HydrophobicContact CB-CB 3.96Å; C286-S338 PolarHBondContact O-OG 3.37Å
287	S	92.6	Very high	91.6	Very high	46 Å²	46	45.2 Å²	45.2	32%	0.322	24%	0.243	S	C	.	.			trans	-70.8	162.3	166.4	76	0	0	0	0	111.1	S289 D290 T291	S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 2.76Å; S287-D290 PolarHBondContact O-N 3.45Å; S287-D290 VanDerWaalsContact O-N 3.11Å; S287-D290 PolarHBondContact OG-N 2.81Å; S287-D290 PolarHBondContact OG-OD2 3.29Å; S287-T291 PolarHBondContact O-N 2.76Å; S287-T291 PolarHBondContact O-OG1 2.86Å
288	S	92.1	Very high	91.5	Very high	17 Å²	17	45.4 Å²	45.4	12%	0.119	25%	0.248	C	C	.	.	H	α-helix	trans	-55.3	-44.5	178	51.5	0	0	0	0	113.1	D290 T291 L292	S288-D290 PolarHBondContact O-N 3.21Å; S288-T291 WeakPolarHBondContact O-CB 3.14Å; S288-T291 PolarHBondContact O-N 3.03Å; S288-L292 WeakPolarHBondContact O-CG 3.42Å; S288-L292 PolarHBondContact O-N 3.27Å
289	S	91.6	Very high	91.4	Very high	40 Å²	40	46.6 Å²	46.6	28%	0.28	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-37.1	176.8	-58.2	0	0	0	0	112.7	S287 R293	S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 2.76Å; S289-R293 WeakPolarHBondContact O-CG 3.42Å; S289-R293 PolarHBondContact O-N 2.95Å
290	D	93.1	Very high	91.2	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-68.2	-37	174.5	-64.5	-39.5	0	0	0	111.5	C286 S287 S288 R293 S294	C286-D290 HydrophobicContact CB-CB 3.96Å; S287-D290 PolarHBondContact O-N 3.45Å; S287-D290 VanDerWaalsContact O-N 3.11Å; S287-D290 PolarHBondContact OG-N 2.81Å; S287-D290 PolarHBondContact OG-OD2 3.29Å; S288-D290 PolarHBondContact O-N 3.21Å; D290-R293 PolarHBondContact O-N 3.41Å; D290-R293 IonicContact OD1-CZ 3.09Å; D290-R293 IonicContact OD1-NE 3.44Å; D290-R293 IonicContact OD1-NH2 2.93Å; D290-R293 PolarHBondContact OD1-NH2 3.16Å; D290-S294 WeakPolarHBondContact O-CB 3.4Å; D290-S294 PolarHBondContact O-N 3.44Å
291	T	94.4	Very high	91.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-50.9	173.6	-58.4	0	0	0	0	111.1	S287 S288 R293 S294 L295 L337 F340 G341 I344	S287-T291 PolarHBondContact O-N 2.76Å; S287-T291 PolarHBondContact O-OG1 2.86Å; S288-T291 WeakPolarHBondContact O-CB 3.14Å; S288-T291 PolarHBondContact O-N 3.03Å; T291-R293 PolarHBondContact O-N 3.06Å; T291-S294 WeakPolarHBondContact O-CB 3.32Å; T291-S294 PolarHBondContact O-N 3.46Å; T291-S294 VanDerWaalsContact O-N 3.13Å; T291-L295 HydrophobicContact CG2-CD1 4.07Å; T291-L295 WeakPolarHBondContact O-CG 3.39Å; T291-L295 PolarHBondContact O-N 2.76Å; T291-L337 WeakPolarHBondContact CB-O 3.3Å; T291-L337 WeakPolarHBondContact CG2-O 3.09Å; T291-L337 PolarHBondContact OG1-O 3.46Å; T291-F340 HydrophobicContact CG2-CD1 4.36Å; T291-G341 WeakPolarHBondContact OG1-CA 3.49Å; T291-I344 HydrophobicContact CG2-CD1 3.64Å
292	L	93.5	Very high	91	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.2	-42.6	-179.8	-68	174.8	0	0	0	111.7	S288 S294 L295 A296 W311 L319 T328 A329 L337	S288-L292 WeakPolarHBondContact O-CG 3.42Å; S288-L292 PolarHBondContact O-N 3.27Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 3.47Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-A296 WeakPolarHBondContact O-CB 3.27Å; L292-A296 PolarHBondContact O-N 3Å; L292-W311 HydrophobicContact CD2-CH2 4.07Å; L292-W311 HydrophobicContact CD2-CZ2 4.49Å; L292-W311 HydrophobicContact CD2-CZ3 4.41Å; L292-L319 HydrophobicContact CD1-CD2 3.6Å; L292-L319 HydrophobicContact CD2-CD2 3.64Å; L292-L319 HydrophobicContact CG-CD2 4.26Å; L292-T328 VanDerWaalsContact CD1-C 3.5Å; L292-A329 HydrophobicContact CD1-CB 4.49Å; L292-L337 HydrophobicContact CD1-CD1 4.31Å; L292-L337 HydrophobicContact CD2-CD1 4.29Å; L292-L337 HydrophobicContact CD2-CD2 4.13Å; L292-L337 HydrophobicContact CG-CD1 4.43Å
293	R	92	Very high	91	Very high	127 Å²	127	42.6 Å²	42.6	48%	0.479	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-38.1	173.7	-72.1	-171.9	-67.9	-163.1	-1.8	112.7	S289 D290 T291 K297	S289-R293 WeakPolarHBondContact O-CG 3.42Å; S289-R293 PolarHBondContact O-N 2.95Å; D290-R293 PolarHBondContact O-N 3.41Å; D290-R293 IonicContact OD1-CZ 3.09Å; D290-R293 IonicContact OD1-NE 3.44Å; D290-R293 IonicContact OD1-NH2 2.93Å; D290-R293 PolarHBondContact OD1-NH2 3.16Å; T291-R293 PolarHBondContact O-N 3.06Å; R293-K297 WeakPolarHBondContact O-CB 3.34Å; R293-K297 VanDerWaalsContact O-CG 3.27Å; R293-K297 WeakPolarHBondContact O-CG 3.26Å; R293-K297 PolarHBondContact O-N 2.92Å
294	S	91.9	Very high	90.9	Very high	31 Å²	31	40.6 Å²	40.6	22%	0.217	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-37.7	177.2	-178.3	0	0	0	0	112	D290 T291 L292 G298 K348	D290-S294 WeakPolarHBondContact O-CB 3.4Å; D290-S294 PolarHBondContact O-N 3.44Å; T291-S294 WeakPolarHBondContact O-CB 3.32Å; T291-S294 PolarHBondContact O-N 3.46Å; T291-S294 VanDerWaalsContact O-N 3.13Å; L292-S294 VanDerWaalsContact C-N 3.34Å; L292-S294 PolarHBondContact O-N 3.47Å; S294-G298 PolarHBondContact O-N 2.85Å; S294-K348 PolarHBondContact O-NZ 3.32Å; S294-K348 PolarHBondContact OG-NZ 2.95Å
295	L	92.4	Very high	90.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-68	-48.5	174.2	-76.7	167.8	0	0	0	111.7	T291 L292 K297 G298 Y300 F301 W311 L315 F340 I344 L357	T291-L295 HydrophobicContact CG2-CD1 4.07Å; T291-L295 WeakPolarHBondContact O-CG 3.39Å; T291-L295 PolarHBondContact O-N 2.76Å; L292-L295 PolarHBondContact O-N 3.26Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 2.9Å; L295-G298 PolarHBondContact O-N 3.28Å; L295-G298 VanDerWaalsContact O-N 3.1Å; L295-Y300 HydrophobicContact CD2-CD2 3.84Å; L295-Y300 HydrophobicContact CD2-CE2 4.05Å; L295-F301 HydrophobicContact CD2-CE2 4.08Å; L295-F301 HydrophobicContact CD2-CZ 4.21Å; L295-W311 HydrophobicContact CB-CH2 3.68Å; L295-W311 HydrophobicContact CB-CZ3 3.73Å; L295-W311 HydrophobicContact CD1-CH2 4.35Å; L295-W311 HydrophobicContact CD1-CZ3 3.89Å; L295-W311 HydrophobicContact CG-CZ3 4.4Å; L295-L315 HydrophobicContact CD1-CD1 4.39Å; L295-F340 HydrophobicContact CD1-CD1 4.23Å; L295-F340 HydrophobicContact CD1-CE1 3.8Å; L295-F340 HydrophobicContact CD2-CE1 4.46Å; L295-I344 HydrophobicContact CD1-CD1 3.84Å; L295-I344 HydrophobicContact CD2-CD1 3.54Å; L295-I344 HydrophobicContact CD2-CG1 4.2Å; L295-I344 HydrophobicContact CG-CD1 3.67Å; L295-L357 HydrophobicContact CD2-CD1 4.08Å
296	A	90	Very high	89.8	Confident	38 Å²	38	54.5 Å²	54.5	31%	0.314	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-44.6	177.9	0	0	0	0	0	111.8	L292 G298 G299 V309	L292-A296 WeakPolarHBondContact O-CB 3.27Å; L292-A296 PolarHBondContact O-N 3Å; A296-G298 VanDerWaalsContact C-N 3.28Å; A296-G298 PolarHBondContact O-N 3.35Å; A296-G299 PolarHBondContact O-N 2.7Å; A296-V309 HydrophobicContact CB-CG2 3.72Å
297	K	89.8	Confident	89.4	Confident	182 Å²	182	56.4 Å²	56.4	79%	0.791	34%	0.338	S	S	*	.	H	α-helix	trans	-67.3	-25.8	177.1	-74.1	177.7	-179.9	-175.6	0	114	R293 L295 G299	R293-K297 WeakPolarHBondContact O-CB 3.34Å; R293-K297 VanDerWaalsContact O-CG 3.27Å; R293-K297 WeakPolarHBondContact O-CG 3.26Å; R293-K297 PolarHBondContact O-N 2.92Å; L295-K297 VanDerWaalsContact C-N 3.33Å; L295-K297 PolarHBondContact O-N 2.9Å; K297-G299 VanDerWaalsContact C-N 3.33Å
298	G	89.2	Confident	88.9	Confident	18 Å²	18	60.5 Å²	60.5	19%	0.186	35%	0.346	C	S	.	.	H	α-helix	trans	-77.3	-17.1	-178.5	0	0	0	0	0	114	S294 L295 A296 Y300 H354	S294-G298 PolarHBondContact O-N 2.85Å; L295-G298 PolarHBondContact O-N 3.28Å; L295-G298 VanDerWaalsContact O-N 3.1Å; A296-G298 VanDerWaalsContact C-N 3.28Å; A296-G298 PolarHBondContact O-N 3.35Å; G298-Y300 PolarHBondContact O-N 3.49Å; G298-H354 PolarHBondContact O-CE1 2.86Å
299	G	89.1	Confident	88.6	Confident	47 Å²	47	61 Å²	61	49%	0.485	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	13.5	177	0	0	0	0	0	115.1	A296 K297 F301 G302	A296-G299 PolarHBondContact O-N 2.7Å; K297-G299 VanDerWaalsContact C-N 3.33Å; G299-F301 PolarHBondContact O-N 3.1Å; G299-F301 VanDerWaalsContact O-N 3.14Å; G299-G302 PolarHBondContact O-N 2.96Å
300	Y	90.9	Very high	88.6	Confident	7 Å²	7	62.6 Å²	62.6	3%	0.027	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.6	-172.7	-52.5	-66.8	0	0	0	114.9	L295 G298 K348 D353 H354 L357	L295-Y300 HydrophobicContact CD2-CD2 3.84Å; L295-Y300 HydrophobicContact CD2-CE2 4.05Å; G298-Y300 PolarHBondContact O-N 3.49Å; Y300-K348 WeakPolarHBondContact OH-CE 3.46Å; Y300-K348 PolarHBondContact OH-NZ 2.96Å; Y300-D353 HydrophobicContact CE1-CB 4.1Å; Y300-D353 WeakPolarHBondContact CE1-OD2 3.46Å; Y300-D353 PolarHBondContact OH-OD2 3.47Å; Y300-H354 AromaticContact CD1-CE1 3.87Å; Y300-H354 AromaticContact CD1-ND1 3.79Å; Y300-H354 AromaticContact CE1-CD2 3.86Å; Y300-H354 AromaticContact CE1-CE1 3.71Å; Y300-H354 AromaticContact CE1-CG 3.97Å; Y300-H354 AromaticContact CE1-ND1 3.88Å; Y300-H354 AromaticContact CE1-NE2 3.71Å; Y300-L357 HydrophobicContact CD1-CB 3.88Å; Y300-L357 HydrophobicContact CD1-CD1 3.92Å; Y300-L357 HydrophobicContact CD2-CB 4.43Å; Y300-L357 HydrophobicContact CD2-CD1 3.73Å; Y300-L357 HydrophobicContact CE1-CD1 3.85Å; Y300-L357 HydrophobicContact CE2-CD1 3.64Å; Y300-L357 HydrophobicContact CG-CB 3.81Å; Y300-L357 HydrophobicContact CG-CD1 3.86Å; Y300-L357 HydrophobicContact CG-CG 4.5Å
301	F	90.2	Very high	88.4	Confident	5 Å²	5	61.4 Å²	61.4	2%	0.022	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-5.7	-171.9	-47.5	-52.4	0	0	0	113.5	L295 G299 V309 N310 W311 P312 L315 L357 K360 I362	L295-F301 HydrophobicContact CD2-CE2 4.08Å; L295-F301 HydrophobicContact CD2-CZ 4.21Å; G299-F301 PolarHBondContact O-N 3.1Å; G299-F301 VanDerWaalsContact O-N 3.14Å; F301-V309 HydrophobicContact CB-CG1 4.45Å; F301-V309 HydrophobicContact CD2-CG1 4.24Å; F301-N310 WeakPolarHBondContact CB-O 3.37Å; F301-W311 AromaticContact CD2-CE3 3.87Å; F301-W311 HydrophobicContact CD2-CE3 3.87Å; F301-W311 HydrophobicContact CD2-CZ3 4.03Å; F301-W311 AromaticContact CE2-CE3 3.88Å; F301-W311 HydrophobicContact CE2-CE3 3.88Å; F301-W311 AromaticContact CE2-CZ3 3.78Å; F301-W311 HydrophobicContact CE2-CZ3 3.78Å; F301-P312 HydrophobicContact CD1-CG 4Å; F301-P312 HydrophobicContact CE1-CG 3.96Å; F301-P312 HydrophobicContact CG-CG 4.33Å; F301-P312 HydrophobicContact CZ-CG 4.28Å; F301-L315 HydrophobicContact CE2-CD1 3.93Å; F301-L315 HydrophobicContact CZ-CD1 4.04Å; F301-L357 HydrophobicContact CE1-CB 4.44Å; F301-L357 VanDerWaalsContact CE1-O 3.31Å; F301-L357 WeakPolarHBondContact CE1-O 3.49Å; F301-K360 HydrophobicContact CD1-CG 4.06Å; F301-K360 PolarHBondContact O-NZ 3.28Å; F301-I362 HydrophobicContact CE1-CD1 4.41Å; F301-I362 HydrophobicContact CZ-CD1 4.06Å
302	G	86.8	Confident	88.2	Confident	36 Å²	36	62.1 Å²	62.1	37%	0.371	35%	0.35	S	S	.	.			trans	68.9	177.1	-169.3	0	0	0	0	0	112.9	G299 N310	G299-G302 PolarHBondContact O-N 2.96Å; G302-N310 WeakPolarHBondContact O-CB 3.41Å; G302-N310 PolarHBondContact O-N 2.83Å
303	D	86.4	Confident	88	Confident	114 Å²	114	67.9 Å²	67.9	61%	0.61	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-106.9	148.6	178.2	-61.5	-42.6	0	0	0	111	R308	D303-R308 CarbonylContact C-O 3.53Å; D303-R308 WeakPolarHBondContact CA-O 3.36Å
304	T	85.2	Confident	87.8	Confident	53 Å²	53	63.6 Å²	63.6	33%	0.325	37%	0.368	S	S	.	.			trans	-72.3	165.7	166.3	57.5	0	0	0	0	110.2	D306 G307 R308 N310	T304-D306 PolarHBondContact O-N 3Å; T304-G307 PolarHBondContact O-N 2.99Å; T304-R308 PolarHBondContact N-O 3.48Å; T304-R308 PolarHBondContact OG1-N 3.42Å; T304-R308 PolarHBondContact OG1-O 3.18Å; T304-N310 HydrophobicContact CG2-CB 3.96Å
305	N	83	Confident	87.7	Confident	173 Å²	173	62.2 Å²	62.2	93%	0.925	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-25.7	178.6	-66.8	-19.8	0	0	0	113.3	G307	N305-G307 VanDerWaalsContact C-N 3.29Å; N305-G307 PolarHBondContact O-N 3.36Å
306	D	81.6	Confident	87.6	Confident	139 Å²	139	67.3 Å²	67.3	74%	0.743	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	7.3	179.8	-58.1	-22.8	0	0	0	113	T304 R308	T304-D306 PolarHBondContact O-N 3Å; D306-R308 VanDerWaalsContact C-N 3.3Å; D306-R308 PolarHBondContact O-N 3.06Å
307	G	81.1	Confident	87.5	Confident	57 Å²	57	70.3 Å²	70.3	59%	0.588	39%	0.393	S	S	*	.	S	Bend	trans	75.8	12.3	179.6	0	0	0	0	0	114.9	T304 N305	T304-G307 PolarHBondContact O-N 2.99Å; N305-G307 VanDerWaalsContact C-N 3.29Å; N305-G307 PolarHBondContact O-N 3.36Å
308	R	83.8	Confident	87.5	Confident	132 Å²	132	61.9 Å²	61.9	50%	0.498	36%	0.357	S	S	.	.	S	Bend	trans	-90.8	150.1	173	-58.5	-178.6	-176.6	179.8	0.1	110.5	D303 T304 D306 N310	D303-R308 CarbonylContact C-O 3.53Å; D303-R308 WeakPolarHBondContact CA-O 3.36Å; T304-R308 PolarHBondContact N-O 3.48Å; T304-R308 PolarHBondContact OG1-N 3.42Å; T304-R308 PolarHBondContact OG1-O 3.18Å; D306-R308 VanDerWaalsContact C-N 3.3Å; D306-R308 PolarHBondContact O-N 3.06Å; R308-N310 PolarHBondContact O-N 3.27Å
309	V	85.8	Confident	87.5	Confident	29 Å²	29	61.9 Å²	61.9	18%	0.176	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-59.6	132.1	175.7	-177.8	0	0	0	0	110.4	A296 F301 W311	A296-V309 HydrophobicContact CB-CG2 3.72Å; F301-V309 HydrophobicContact CB-CG1 4.45Å; F301-V309 HydrophobicContact CD2-CG1 4.24Å; V309-W311 VanDerWaalsContact C-N 3.3Å; V309-W311 HydrophobicContact CB-CD2 4.32Å; V309-W311 HydrophobicContact CB-CZ2 4.08Å; V309-W311 HydrophobicContact CG1-CD2 3.83Å; V309-W311 HydrophobicContact CG1-CE3 4.15Å; V309-W311 HydrophobicContact CG1-CG 4.31Å; V309-W311 HydrophobicContact CG1-CH2 4.28Å; V309-W311 HydrophobicContact CG1-CZ2 3.96Å; V309-W311 HydrophobicContact CG1-CZ3 4.37Å; V309-W311 HydrophobicContact CG2-CZ2 4.34Å; V309-W311 PolarHBondContact O-N 3.46Å
310	N	89.9	Confident	87.5	Confident	73 Å²	73	62.3 Å²	62.3	39%	0.39	34%	0.344	S	S	.	.			trans	-81.7	73.5	177.2	-176.3	15.8	0	0	0	111.1	F301 G302 T304 R308	F301-N310 WeakPolarHBondContact CB-O 3.37Å; G302-N310 WeakPolarHBondContact O-CB 3.41Å; G302-N310 PolarHBondContact O-N 2.83Å; T304-N310 HydrophobicContact CG2-CB 3.96Å; R308-N310 PolarHBondContact O-N 3.27Å
311	W	89.6	Confident	87.3	Confident	26 Å²	26	71.4 Å²	71.4	10%	0.098	38%	0.383	C	S	.	.			trans	-60	136.2	-178	-63.8	109.5	0	0	0	112.1	L292 L295 F301 V309 L315 E316 L319	L292-W311 HydrophobicContact CD2-CH2 4.07Å; L292-W311 HydrophobicContact CD2-CZ2 4.49Å; L292-W311 HydrophobicContact CD2-CZ3 4.41Å; L295-W311 HydrophobicContact CB-CH2 3.68Å; L295-W311 HydrophobicContact CB-CZ3 3.73Å; L295-W311 HydrophobicContact CD1-CH2 4.35Å; L295-W311 HydrophobicContact CD1-CZ3 3.89Å; L295-W311 HydrophobicContact CG-CZ3 4.4Å; F301-W311 AromaticContact CD2-CE3 3.87Å; F301-W311 HydrophobicContact CD2-CE3 3.87Å; F301-W311 HydrophobicContact CD2-CZ3 4.03Å; F301-W311 AromaticContact CE2-CE3 3.88Å; F301-W311 HydrophobicContact CE2-CE3 3.88Å; F301-W311 AromaticContact CE2-CZ3 3.78Å; F301-W311 HydrophobicContact CE2-CZ3 3.78Å; V309-W311 VanDerWaalsContact C-N 3.3Å; V309-W311 HydrophobicContact CB-CD2 4.32Å; V309-W311 HydrophobicContact CB-CZ2 4.08Å; V309-W311 HydrophobicContact CG1-CD2 3.83Å; V309-W311 HydrophobicContact CG1-CE3 4.15Å; V309-W311 HydrophobicContact CG1-CG 4.31Å; V309-W311 HydrophobicContact CG1-CH2 4.28Å; V309-W311 HydrophobicContact CG1-CZ2 3.96Å; V309-W311 HydrophobicContact CG1-CZ3 4.37Å; V309-W311 HydrophobicContact CG2-CZ2 4.34Å; V309-W311 PolarHBondContact O-N 3.46Å; W311-L315 HydrophobicContact CE3-CB 4.28Å; W311-L315 HydrophobicContact CE3-CD1 3.85Å; W311-L315 HydrophobicContact CZ3-CD1 4.09Å; W311-E316 HydrophobicContact CB-CB 4.25Å; W311-L319 HydrophobicContact CD2-CD1 4.46Å; W311-L319 HydrophobicContact CG-CD1 4.08Å
312	P	90.2	Very high	87	Confident	15 Å²	15	75.5 Å²	75.5	10%	0.097	41%	0.413	C	S	.	.			trans	-56	142.3	164.5	-23.1	33.5	0	0	0	110.5	F301 T314 L315 E316 K360 I362	F301-P312 HydrophobicContact CD1-CG 4Å; F301-P312 HydrophobicContact CE1-CG 3.96Å; F301-P312 HydrophobicContact CG-CG 4.33Å; F301-P312 HydrophobicContact CZ-CG 4.28Å; P312-T314 PolarHBondContact O-N 3.09Å; P312-L315 HydrophobicContact CG-CD1 4.47Å; P312-L315 WeakPolarHBondContact O-CA 3.49Å; P312-L315 PolarHBondContact O-N 3.41Å; P312-E316 PolarHBondContact O-N 2.89Å; P312-K360 HydrophobicContact CG-CB 4.28Å; P312-I362 HydrophobicContact CG-CD1 4.25Å
313	L	88.9	Confident	86.8	Confident	122 Å²	122	75.3 Å²	75.3	64%	0.639	40%	0.403	S	S	*	.	H	α-helix	trans	-48.7	-40.8	-176.7	-176.6	67.6	0	0	0	112.9	L315 E316 N317	L313-L315 PolarHBondContact O-N 2.95Å; L313-E316 PolarHBondContact O-N 2.93Å; L313-N317 VanDerWaalsContact O-CG 3.29Å; L313-N317 PolarHBondContact O-N 2.89Å; L313-N317 VanDerWaalsContact O-N 3.08Å; L313-N317 PolarHBondContact O-ND2 3.02Å
314	T	88.4	Confident	86.3	Confident	37 Å²	37	75.5 Å²	75.5	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-59.4	-45	176.7	-48.1	0	0	0	0	112.3	P312 L318 I362 L364	P312-T314 PolarHBondContact O-N 3.09Å; T314-L318 WeakPolarHBondContact O-CG 3.45Å; T314-I362 VanDerWaalsContact CB-O 3.27Å; T314-I362 WeakPolarHBondContact CB-O 3.48Å; T314-I362 HydrophobicContact CG2-CG2 4.25Å; T314-I362 WeakPolarHBondContact CG2-O 3.2Å; T314-I362 PolarHBondContact OG1-O 3.18Å; T314-L364 HydrophobicContact CG2-CB 4.04Å
315	L	90	Very high	85.9	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.016	42%	0.424	C	S	.	.	H	α-helix	trans	-73.2	-37.3	178.5	-73.2	-176.1	0	0	0	111.6	L295 F301 W311 P312 L313 N317 L318 L319 L337 F340 I362	L295-L315 HydrophobicContact CD1-CD1 4.39Å; F301-L315 HydrophobicContact CE2-CD1 3.93Å; F301-L315 HydrophobicContact CZ-CD1 4.04Å; W311-L315 HydrophobicContact CE3-CB 4.28Å; W311-L315 HydrophobicContact CE3-CD1 3.85Å; W311-L315 HydrophobicContact CZ3-CD1 4.09Å; P312-L315 HydrophobicContact CG-CD1 4.47Å; P312-L315 WeakPolarHBondContact O-CA 3.49Å; P312-L315 PolarHBondContact O-N 3.41Å; L313-L315 PolarHBondContact O-N 2.95Å; L315-N317 PolarHBondContact O-N 3.25Å; L315-L318 HydrophobicContact CD2-CD1 4.02Å; L315-L318 WeakPolarHBondContact O-CB 3.3Å; L315-L318 PolarHBondContact O-N 3.21Å; L315-L319 WeakPolarHBondContact O-CG 3.3Å; L315-L319 PolarHBondContact O-N 3.03Å; L315-L337 HydrophobicContact CD2-CD2 4.2Å; L315-F340 HydrophobicContact CD1-CE1 4.26Å; L315-F340 HydrophobicContact CD2-CD1 4.39Å; L315-F340 HydrophobicContact CD2-CE1 4.08Å; L315-I362 HydrophobicContact CD1-CD1 3.49Å; L315-I362 VanDerWaalsContact CD1-CD1 3.49Å; L315-I362 HydrophobicContact CD2-CD1 4.36Å; L315-I362 HydrophobicContact CD2-CG2 4.21Å; L315-I362 HydrophobicContact CG-CD1 3.8Å; L315-I362 HydrophobicContact CG-CG2 4.3Å
316	E	89.3	Confident	85.7	Confident	107 Å²	107	73.3 Å²	73.3	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-56.5	-40.4	176.4	-170.3	177.2	-164.8	0	0	111.3	W311 P312 L313 L318 L319	W311-E316 HydrophobicContact CB-CB 4.25Å; P312-E316 PolarHBondContact O-N 2.89Å; L313-E316 PolarHBondContact O-N 2.93Å; E316-L318 PolarHBondContact O-N 3.41Å; E316-L319 WeakPolarHBondContact O-CB 3.26Å; E316-L319 PolarHBondContact O-N 3.2Å
317	N	87.9	Confident	85.8	Confident	101 Å²	101	69.2 Å²	69.2	54%	0.54	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.5	175.7	-69.7	-27.3	0	0	0	114.2	L313 L315	L313-N317 VanDerWaalsContact O-CG 3.29Å; L313-N317 PolarHBondContact O-N 2.89Å; L313-N317 VanDerWaalsContact O-N 3.08Å; L313-N317 PolarHBondContact O-ND2 3.02Å; L315-N317 PolarHBondContact O-N 3.25Å
318	L	89.7	Confident	86.2	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-11.2	177.7	-52.8	179.2	0	0	0	113	T314 L315 E316 S330 H333 L337 L364	T314-L318 WeakPolarHBondContact O-CG 3.45Å; L315-L318 HydrophobicContact CD2-CD1 4.02Å; L315-L318 WeakPolarHBondContact O-CB 3.3Å; L315-L318 PolarHBondContact O-N 3.21Å; E316-L318 PolarHBondContact O-N 3.41Å; L318-S330 PolarHBondContact O-N 3.12Å; L318-H333 HydrophobicContact CB-CB 4.11Å; L318-H333 HydrophobicContact CD2-CB 4.1Å; L318-L337 HydrophobicContact CB-CD1 4.16Å; L318-L337 HydrophobicContact CD1-CD2 4.29Å; L318-L337 HydrophobicContact CD1-CG 4.4Å; L318-L364 HydrophobicContact CD2-CD1 4.22Å; L318-L364 HydrophobicContact CD2-CD2 4.39Å
319	L	90.2	Very high	86.4	Confident	18 Å²	18	63 Å²	63	9%	0.094	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-76.9	152.5	-179	-59.6	177.4	0	0	0	111.2	L292 W311 L315 E316 K321	L292-L319 HydrophobicContact CD1-CD2 3.6Å; L292-L319 HydrophobicContact CD2-CD2 3.64Å; L292-L319 HydrophobicContact CG-CD2 4.26Å; W311-L319 HydrophobicContact CD2-CD1 4.46Å; W311-L319 HydrophobicContact CG-CD1 4.08Å; L315-L319 WeakPolarHBondContact O-CG 3.3Å; L315-L319 PolarHBondContact O-N 3.03Å; E316-L319 WeakPolarHBondContact O-CB 3.26Å; E316-L319 PolarHBondContact O-N 3.2Å; L319-K321 PolarHBondContact O-N 3.4Å
320	D	89	Confident	86.5	Confident	56 Å²	56	63.1 Å²	63.1	30%	0.299	33%	0.332	S	S	.	.			trans	-69.6	117.2	166.9	-172.7	-20.1	0	0	0	109	S322 D323 T328	D320-S322 PolarHBondContact O-N 3.34Å; D320-S322 VanDerWaalsContact O-N 3.14Å; D320-S322 WeakPolarHBondContact OD1-CB 3.44Å; D320-S322 PolarHBondContact OD1-N 2.95Å; D320-S322 PolarHBondContact OD1-OG 3.26Å; D320-S322 PolarHBondContact OD2-OG 3.15Å; D320-D323 HydrophobicContact CB-CB 4.41Å; D320-D323 PolarHBondContact O-N 3.15Å; D320-T328 PolarHBondContact N-O 3.31Å
321	K	85.4	Confident	86.3	Confident	197 Å²	197	66.9 Å²	66.9	86%	0.857	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.8	-179.5	-62.9	-174.3	-179.5	-179.7	0	113.2	L319	L319-K321 PolarHBondContact O-N 3.4Å
322	S	84.6	Confident	86	Confident	92 Å²	92	70.7 Å²	70.7	64%	0.643	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-19.7	175.2	70.9	0	0	0	0	113.3	D320 L324	D320-S322 PolarHBondContact O-N 3.34Å; D320-S322 VanDerWaalsContact O-N 3.14Å; D320-S322 WeakPolarHBondContact OD1-CB 3.44Å; D320-S322 PolarHBondContact OD1-N 2.95Å; D320-S322 PolarHBondContact OD1-OG 3.26Å; D320-S322 PolarHBondContact OD2-OG 3.15Å; S322-L324 PolarHBondContact O-N 3.48Å
323	D	83.3	Confident	85.8	Confident	31 Å²	31	71.1 Å²	71.1	17%	0.166	37%	0.374	C	S	.	.			trans	-90.3	101.9	178.5	-179.7	12.2	0	0	0	111.8	D320 F325 G326 T327 T328	D320-D323 HydrophobicContact CB-CB 4.41Å; D320-D323 PolarHBondContact O-N 3.15Å; D323-F325 PolarHBondContact O-N 3.14Å; D323-F325 VanDerWaalsContact O-N 3.12Å; D323-F325 PolarHBondContact OD1-N 3.18Å; D323-G326 PolarHBondContact O-N 3.34Å; D323-G326 VanDerWaalsContact O-N 3.13Å; D323-T327 WeakPolarHBondContact OD2-CA 3.48Å; D323-T327 PolarHBondContact OD2-N 3.27Å; D323-T327 PolarHBondContact OD2-OG1 3.48Å; D323-T328 WeakPolarHBondContact CB-OG1 3.34Å; D323-T328 VanDerWaalsContact CG-OG1 3.22Å; D323-T328 PolarHBondContact OD2-N 3.41Å; D323-T328 PolarHBondContact OD2-OG1 2.79Å
324	L	74.9	Confident	85.9	Confident	118 Å²	118	67.8 Å²	67.8	62%	0.618	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.9	177.8	-79.2	145.4	0	0	0	114.3	S322	S322-L324 PolarHBondContact O-N 3.48Å
325	F	76.8	Confident	86	Confident	173 Å²	173	67.1 Å²	67.1	76%	0.759	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-9	-179.1	-60.7	-75.7	0	0	0	113.2	D323 T327	D323-F325 PolarHBondContact O-N 3.14Å; D323-F325 VanDerWaalsContact O-N 3.12Å; D323-F325 PolarHBondContact OD1-N 3.18Å; F325-T327 VanDerWaalsContact C-N 3.29Å; F325-T327 HydrophobicContact CB-CG2 3.92Å; F325-T327 PolarHBondContact O-N 3.43Å
326	G	79.7	Confident	86	Confident	7 Å²	7	69 Å²	69	7%	0.072	37%	0.367	C	S	.	.	S	Bend	trans	62.1	35	-179.2	0	0	0	0	0	113.3	D323	D323-G326 PolarHBondContact O-N 3.34Å; D323-G326 VanDerWaalsContact O-N 3.13Å
327	T	83.8	Confident	86.1	Confident	54 Å²	54	63.9 Å²	63.9	33%	0.331	34%	0.343	S	S	.	.			trans	-101.9	-8.8	-178.4	62.1	0	0	0	0	113.5	D323 F325	D323-T327 WeakPolarHBondContact OD2-CA 3.48Å; D323-T327 PolarHBondContact OD2-N 3.27Å; D323-T327 PolarHBondContact OD2-OG1 3.48Å; F325-T327 VanDerWaalsContact C-N 3.29Å; F325-T327 HydrophobicContact CB-CG2 3.92Å; F325-T327 PolarHBondContact O-N 3.43Å
328	T	88.6	Confident	86.4	Confident	48 Å²	48	59.8 Å²	59.8	29%	0.294	32%	0.323	S	S	.	.	S	Bend	trans	-119.1	139.8	179.9	49	0	0	0	0	111.1	L292 D320 D323	L292-T328 VanDerWaalsContact CD1-C 3.5Å; D320-T328 PolarHBondContact N-O 3.31Å; D323-T328 WeakPolarHBondContact CB-OG1 3.34Å; D323-T328 VanDerWaalsContact CG-OG1 3.22Å; D323-T328 PolarHBondContact OD2-N 3.41Å; D323-T328 PolarHBondContact OD2-OG1 2.79Å
329	A	88.6	Confident	86.6	Confident	11 Å²	11	60.5 Å²	60.5	9%	0.091	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-81.2	148.3	174.7	0	0	0	0	0	109.8	L292 T334 L337	L292-A329 HydrophobicContact CD1-CB 4.49Å; A329-T334 HydrophobicContact CB-CG2 4.25Å; A329-L337 HydrophobicContact CB-CD1 3.37Å
330	S	88.2	Confident	86.7	Confident	31 Å²	31	61.6 Å²	61.6	22%	0.217	33%	0.332	C	S	.	.			trans	-55.8	146.5	161.4	177.1	0	0	0	0	110	L318 D332 H333	L318-S330 PolarHBondContact O-N 3.12Å; S330-D332 PolarHBondContact O-N 2.73Å; S330-D332 VanDerWaalsContact O-N 3.16Å; S330-H333 PolarHBondContact O-N 3.49Å
331	L	84.5	Confident	87	Confident	152 Å²	152	59 Å²	59	80%	0.796	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-52.2	-39.5	-178	-79.4	154.6	0	0	0	112.2	H333 T334	L331-H333 VanDerWaalsContact C-N 3.27Å; L331-H333 PolarHBondContact O-N 3.23Å; L331-T334 PolarHBondContact O-OG1 3.13Å
332	D	83.5	Confident	87.5	Confident	106 Å²	106	49.7 Å²	49.7	57%	0.567	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-74.9	-12.4	-177.3	-59.7	-34.1	0	0	0	113.7	E230 S330	E230-D332 VanDerWaalsContact CG-O 3.26Å; E230-D332 WeakPolarHBondContact CG-O 3.21Å; S330-D332 PolarHBondContact O-N 2.73Å; S330-D332 VanDerWaalsContact O-N 3.16Å
333	H	87.6	Confident	88	Confident	23 Å²	23	46.7 Å²	46.7	11%	0.106	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-118.8	13.5	-171.5	-63.4	-56.8	0	0	0	114	E230 L318 S330 L331 L335 L337	E230-H333 IonicContact OE1-CE1 3.59Å; E230-H333 IonicContact OE1-CG 2.79Å; E230-H333 IonicContact OE1-ND1 3.42Å; E230-H333 PolarHBondContact OE1-ND1 2.69Å; L318-H333 HydrophobicContact CB-CB 4.11Å; L318-H333 HydrophobicContact CD2-CB 4.1Å; S330-H333 PolarHBondContact O-N 3.49Å; L331-H333 VanDerWaalsContact C-N 3.27Å; L331-H333 PolarHBondContact O-N 3.23Å; H333-L335 VanDerWaalsContact C-N 3.33Å; H333-L335 PolarHBondContact O-N 3.21Å; H333-L337 PolarHBondContact O-N 3.49Å
334	T	90.7	Very high	88.6	Confident	52 Å²	52	45.3 Å²	45.3	32%	0.319	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-32.5	-178.1	56.1	0	0	0	0	113.2	A329 L331 S338	A329-T334 HydrophobicContact CB-CG2 4.25Å; L331-T334 PolarHBondContact O-OG1 3.13Å; T334-S338 WeakPolarHBondContact O-CB 3.32Å; T334-S338 PolarHBondContact O-N 3.42Å; T334-S338 VanDerWaalsContact O-N 3.12Å
335	L	89.3	Confident	89.6	Confident	23 Å²	23	41.9 Å²	41.9	12%	0.12	23%	0.226	C	C	.	.	H	α-helix	trans	-81	-40.4	-176.8	-61.7	-179.7	0	0	0	112.6	R227 S229 E230 H333 S338 S339	R227-L335 HydrophobicContact CB-CD1 3.89Å; R227-L335 HydrophobicContact CB-CD2 3.62Å; R227-L335 HydrophobicContact CB-CG 4.42Å; R227-L335 HydrophobicContact CG-CD2 4.45Å; S229-L335 VanDerWaalsContact CA-CD1 3.44Å; E230-L335 HydrophobicContact CB-CB 4.43Å; H333-L335 VanDerWaalsContact C-N 3.33Å; H333-L335 PolarHBondContact O-N 3.21Å; L335-S338 PolarHBondContact O-N 2.99Å; L335-S339 WeakPolarHBondContact O-CB 3.17Å; L335-S339 PolarHBondContact O-N 3.43Å; L335-S339 PolarHBondContact O-OG 3.16Å
336	C	90.1	Very high	90.5	Very high	42 Å²	42	34 Å²	34	28%	0.284	19%	0.191	S	C	.	.	H	α-helix	trans	-58.8	-50.6	172	175.2	0	0	0	0	109.9	E230 S338 S339 F340	E230-C336 VanDerWaalsContact OE1-CB 3.22Å; E230-C336 WeakPolarHBondContact OE1-CB 3.35Å; E230-C336 VanDerWaalsContact OE2-CA 3.31Å; E230-C336 WeakPolarHBondContact OE2-CA 3.49Å; E230-C336 WeakPolarHBondContact OE2-CB 3.43Å; E230-C336 PolarHBondContact OE2-N 2.77Å; C336-S338 VanDerWaalsContact C-N 3.29Å; C336-S338 PolarHBondContact O-N 3.13Å; C336-S339 PolarHBondContact O-N 3.32Å; C336-S339 VanDerWaalsContact O-N 3.13Å; C336-F340 WeakPolarHBondContact O-CB 3.5Å; C336-F340 PolarHBondContact O-N 2.92Å
337	L	92.3	Very high	91.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-29.8	179.4	-76	170.4	0	0	0	113.1	T291 L292 L315 L318 A329 H333 F340 G341	T291-L337 WeakPolarHBondContact CB-O 3.3Å; T291-L337 WeakPolarHBondContact CG2-O 3.09Å; T291-L337 PolarHBondContact OG1-O 3.46Å; L292-L337 HydrophobicContact CD1-CD1 4.31Å; L292-L337 HydrophobicContact CD2-CD1 4.29Å; L292-L337 HydrophobicContact CD2-CD2 4.13Å; L292-L337 HydrophobicContact CG-CD1 4.43Å; L315-L337 HydrophobicContact CD2-CD2 4.2Å; L318-L337 HydrophobicContact CB-CD1 4.16Å; L318-L337 HydrophobicContact CD1-CD2 4.29Å; L318-L337 HydrophobicContact CD1-CG 4.4Å; A329-L337 HydrophobicContact CB-CD1 3.37Å; H333-L337 PolarHBondContact O-N 3.49Å; L337-F340 HydrophobicContact CD2-CD1 4.34Å; L337-G341 PolarHBondContact O-N 3.3Å
338	S	93.6	Very high	91.8	Very high	15 Å²	15	34 Å²	34	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-44.4	171.3	-174.3	0	0	0	0	111.8	F285 C286 T334 L335 C336 F340 G341 A342	F285-S338 WeakPolarHBondContact CE1-OG 3.42Å; C286-S338 PolarHBondContact O-OG 3.37Å; T334-S338 WeakPolarHBondContact O-CB 3.32Å; T334-S338 PolarHBondContact O-N 3.42Å; T334-S338 VanDerWaalsContact O-N 3.12Å; L335-S338 PolarHBondContact O-N 2.99Å; C336-S338 VanDerWaalsContact C-N 3.29Å; C336-S338 PolarHBondContact O-N 3.13Å; S338-F340 VanDerWaalsContact C-N 3.34Å; S338-F340 PolarHBondContact O-N 3.39Å; S338-G341 WeakPolarHBondContact O-CA 3.43Å; S338-G341 PolarHBondContact O-N 3.19Å; S338-G341 VanDerWaalsContact O-N 3.13Å; S338-A342 PolarHBondContact O-N 2.87Å
339	S	93.4	Very high	92.1	Very high	20 Å²	20	35 Å²	35	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-40.1	176	-53.3	0	0	0	0	111.7	A223 C225 L335 C336 G341 A342 I343	A223-S339 WeakPolarHBondContact CB-O 3.32Å; C225-S339 WeakPolarHBondContact CB-OG 3.24Å; C225-S339 PolarHBondContact N-OG 3.32Å; L335-S339 WeakPolarHBondContact O-CB 3.17Å; L335-S339 PolarHBondContact O-N 3.43Å; L335-S339 PolarHBondContact O-OG 3.16Å; C336-S339 PolarHBondContact O-N 3.32Å; C336-S339 VanDerWaalsContact O-N 3.13Å; S339-G341 VanDerWaalsContact C-N 3.28Å; S339-G341 PolarHBondContact O-N 3.46Å; S339-A342 WeakPolarHBondContact O-CB 3.36Å; S339-A342 PolarHBondContact O-N 3.02Å; S339-I343 PolarHBondContact O-N 2.94Å
340	F	93.8	Very high	92.4	Very high	41 Å²	41	34.5 Å²	34.5	18%	0.18	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-36.2	173.6	-172.5	-136.5	0	0	0	111.7	T291 L295 L315 C336 L337 S338 A342 I343 I344 L357 I362	T291-F340 HydrophobicContact CG2-CD1 4.36Å; L295-F340 HydrophobicContact CD1-CD1 4.23Å; L295-F340 HydrophobicContact CD1-CE1 3.8Å; L295-F340 HydrophobicContact CD2-CE1 4.46Å; L315-F340 HydrophobicContact CD1-CE1 4.26Å; L315-F340 HydrophobicContact CD2-CD1 4.39Å; L315-F340 HydrophobicContact CD2-CE1 4.08Å; C336-F340 WeakPolarHBondContact O-CB 3.5Å; C336-F340 PolarHBondContact O-N 2.92Å; L337-F340 HydrophobicContact CD2-CD1 4.34Å; S338-F340 VanDerWaalsContact C-N 3.34Å; S338-F340 PolarHBondContact O-N 3.39Å; F340-A342 VanDerWaalsContact C-N 3.31Å; F340-A342 PolarHBondContact O-N 3.32Å; F340-I343 WeakPolarHBondContact O-CB 3.37Å; F340-I343 PolarHBondContact O-N 3.32Å; F340-I343 VanDerWaalsContact O-N 3.16Å; F340-I344 HydrophobicContact CD1-CD1 3.71Å; F340-I344 HydrophobicContact CD2-CD1 4.33Å; F340-I344 HydrophobicContact CD2-CG1 4.42Å; F340-I344 HydrophobicContact CE1-CD1 3.69Å; F340-I344 HydrophobicContact CE1-CG1 4.42Å; F340-I344 HydrophobicContact CE2-CD1 4.29Å; F340-I344 HydrophobicContact CE2-CG1 4.22Å; F340-I344 HydrophobicContact CG-CD1 4.04Å; F340-I344 HydrophobicContact CZ-CD1 3.98Å; F340-I344 HydrophobicContact CZ-CG1 4.22Å; F340-I344 WeakPolarHBondContact O-CD1 3.41Å; F340-I344 WeakPolarHBondContact O-CG1 3.33Å; F340-I344 PolarHBondContact O-N 2.83Å; F340-L357 HydrophobicContact CE2-CD2 4.31Å; F340-L357 HydrophobicContact CZ-CD2 3.86Å; F340-I362 HydrophobicContact CE1-CD1 4.36Å; F340-I362 HydrophobicContact CZ-CD1 3.97Å
341	G	94.7	Very high	92.8	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-41	172.1	0	0	0	0	0	113.7	T291 L337 S338 S339 I344 W345	T291-G341 WeakPolarHBondContact OG1-CA 3.49Å; L337-G341 PolarHBondContact O-N 3.3Å; S338-G341 WeakPolarHBondContact O-CA 3.43Å; S338-G341 PolarHBondContact O-N 3.19Å; S338-G341 VanDerWaalsContact O-N 3.13Å; S339-G341 VanDerWaalsContact C-N 3.28Å; S339-G341 PolarHBondContact O-N 3.46Å; G341-I344 PolarHBondContact O-N 3.46Å; G341-W345 WeakPolarHBondContact O-CB 3.48Å; G341-W345 PolarHBondContact O-N 3.04Å
342	A	95.4	Very high	93.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-39	175.7	0	0	0	0	0	112.4	A223 L279 F285 S338 S339 F340 Y346	A223-A342 HydrophobicContact CB-CB 4.03Å; L279-A342 HydrophobicContact CD1-CB 3.95Å; F285-A342 HydrophobicContact CD1-CB 4.41Å; F285-A342 HydrophobicContact CD2-CB 3.44Å; F285-A342 VanDerWaalsContact CD2-CB 3.44Å; F285-A342 HydrophobicContact CE1-CB 4.34Å; F285-A342 HydrophobicContact CE2-CB 3.33Å; F285-A342 HydrophobicContact CG-CB 4Å; F285-A342 HydrophobicContact CZ-CB 3.83Å; S338-A342 PolarHBondContact O-N 2.87Å; S339-A342 WeakPolarHBondContact O-CB 3.36Å; S339-A342 PolarHBondContact O-N 3.02Å; F340-A342 VanDerWaalsContact C-N 3.31Å; F340-A342 PolarHBondContact O-N 3.32Å; A342-Y346 WeakPolarHBondContact O-CB 3.49Å; A342-Y346 PolarHBondContact O-N 3.33Å
343	I	95.9	Very high	93.8	Very high	30 Å²	30	24.5 Å²	24.5	15%	0.154	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-53.2	172	-61.8	-65.3	0	0	0	109.6	L221 A223 L253 S339 F340 W345 Y346 L347	L221-I343 HydrophobicContact CB-CD1 4.44Å; L221-I343 HydrophobicContact CD2-CD1 3.93Å; L221-I343 HydrophobicContact CD2-CG2 4.41Å; L221-I343 HydrophobicContact CG-CD1 3.7Å; A223-I343 HydrophobicContact CB-CD1 3.72Å; A223-I343 HydrophobicContact CB-CG1 3.77Å; L253-I343 HydrophobicContact CD1-CD1 4.21Å; S339-I343 PolarHBondContact O-N 2.94Å; F340-I343 WeakPolarHBondContact O-CB 3.37Å; F340-I343 PolarHBondContact O-N 3.32Å; F340-I343 VanDerWaalsContact O-N 3.16Å; I343-W345 VanDerWaalsContact C-N 3.3Å; I343-W345 PolarHBondContact O-N 3.31Å; I343-Y346 PolarHBondContact O-N 2.9Å; I343-L347 HydrophobicContact CG2-CD1 3.99Å; I343-L347 HydrophobicContact CG2-CG 4.02Å; I343-L347 VanDerWaalsContact O-CG 3.29Å; I343-L347 WeakPolarHBondContact O-CG 3.23Å; I343-L347 PolarHBondContact O-N 3.26Å
344	I	94.9	Very high	94.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-57.4	-44.3	-179.1	-65.6	155.3	0	0	0	111.3	T291 L295 F340 G341 Y346 L347 K348 L357	T291-I344 HydrophobicContact CG2-CD1 3.64Å; L295-I344 HydrophobicContact CD1-CD1 3.84Å; L295-I344 HydrophobicContact CD2-CD1 3.54Å; L295-I344 HydrophobicContact CD2-CG1 4.2Å; L295-I344 HydrophobicContact CG-CD1 3.67Å; F340-I344 HydrophobicContact CD1-CD1 3.71Å; F340-I344 HydrophobicContact CD2-CD1 4.33Å; F340-I344 HydrophobicContact CD2-CG1 4.42Å; F340-I344 HydrophobicContact CE1-CD1 3.69Å; F340-I344 HydrophobicContact CE1-CG1 4.42Å; F340-I344 HydrophobicContact CE2-CD1 4.29Å; F340-I344 HydrophobicContact CE2-CG1 4.22Å; F340-I344 HydrophobicContact CG-CD1 4.04Å; F340-I344 HydrophobicContact CZ-CD1 3.98Å; F340-I344 HydrophobicContact CZ-CG1 4.22Å; F340-I344 WeakPolarHBondContact O-CD1 3.41Å; F340-I344 WeakPolarHBondContact O-CG1 3.33Å; F340-I344 PolarHBondContact O-N 2.83Å; G341-I344 PolarHBondContact O-N 3.46Å; I344-Y346 VanDerWaalsContact C-N 3.32Å; I344-Y346 PolarHBondContact O-N 3.21Å; I344-L347 PolarHBondContact O-N 3.02Å; I344-K348 HydrophobicContact CG2-CD 4.26Å; I344-K348 WeakPolarHBondContact O-CG 3.25Å; I344-K348 PolarHBondContact O-N 3.02Å; I344-L357 HydrophobicContact CG1-CD1 4.25Å; I344-L357 HydrophobicContact CG1-CD2 4.46Å; I344-L357 HydrophobicContact CG2-CD1 4.36Å
345	W	95.4	Very high	94.1	Very high	46 Å²	46	24.1 Å²	24.1	17%	0.174	12%	0.119	C	C	.	.	H	α-helix	trans	-57.2	-47.8	175.7	179.3	86.3	0	0	0	111	L279 Q284 G341 I343 L347 K348 E349	L279-W345 HydrophobicContact CD1-CE3 3.86Å; L279-W345 HydrophobicContact CD1-CZ3 4.13Å; L279-W345 HydrophobicContact CD2-CE3 4.05Å; L279-W345 HydrophobicContact CD2-CH2 4.08Å; L279-W345 HydrophobicContact CD2-CZ3 3.43Å; L279-W345 VanDerWaalsContact CD2-CZ3 3.43Å; L279-W345 HydrophobicContact CG-CZ3 4.41Å; Q284-W345 HydrophobicContact CB-CD2 3.99Å; Q284-W345 HydrophobicContact CB-CE3 4.31Å; Q284-W345 HydrophobicContact CB-CH2 4.25Å; Q284-W345 HydrophobicContact CB-CZ2 3.92Å; Q284-W345 HydrophobicContact CB-CZ3 4.42Å; Q284-W345 HydrophobicContact CG-CD2 4.43Å; Q284-W345 HydrophobicContact CG-CH2 4.01Å; Q284-W345 HydrophobicContact CG-CZ2 3.48Å; Q284-W345 VanDerWaalsContact CG-CZ2 3.48Å; Q284-W345 WeakPolarHBondContact O-CB 3.32Å; G341-W345 WeakPolarHBondContact O-CB 3.48Å; G341-W345 PolarHBondContact O-N 3.04Å; I343-W345 VanDerWaalsContact C-N 3.3Å; I343-W345 PolarHBondContact O-N 3.31Å; W345-L347 PolarHBondContact O-N 3.21Å; W345-K348 WeakPolarHBondContact O-CB 3.4Å; W345-K348 PolarHBondContact O-N 2.74Å; W345-E349 HydrophobicContact CD2-CG 4.24Å; W345-E349 HydrophobicContact CE3-CG 4.35Å; W345-E349 HydrophobicContact CH2-CG 3.86Å; W345-E349 HydrophobicContact CZ2-CG 3.7Å; W345-E349 HydrophobicContact CZ3-CG 4.17Å; W345-E349 PolarHBondContact O-N 3.24Å
346	Y	96.2	Very high	94.3	Very high	6 Å²	6	25.6 Å²	25.6	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-66.7	-37.2	179.6	-157.8	-99.6	0	0	0	112.8	K165 T200 T203 L221 Q251 L253 E277 A342 I343 I344 K348 E349 C350	K165-Y346 WeakPolarHBondContact CE-OH 3.45Å; K165-Y346 PolarHBondContact NZ-OH 3.22Å; T200-Y346 HydrophobicContact CG2-CE1 4.43Å; T200-Y346 VanDerWaalsContact CG2-OH 3.3Å; T200-Y346 WeakPolarHBondContact CG2-OH 3.29Å; T203-Y346 HydrophobicContact CG2-CD1 4Å; T203-Y346 HydrophobicContact CG2-CE1 3.8Å; L221-Y346 HydrophobicContact CD1-CD1 4.09Å; L221-Y346 HydrophobicContact CD1-CE1 4.37Å; L221-Y346 HydrophobicContact CD2-CD1 3.71Å; L221-Y346 HydrophobicContact CD2-CG 4.39Å; Q251-Y346 PolarHBondContact NE2-OH 3.48Å; L253-Y346 HydrophobicContact CD1-CD1 4.45Å; L253-Y346 HydrophobicContact CD1-CD2 4.19Å; L253-Y346 HydrophobicContact CD1-CG 3.8Å; L253-Y346 HydrophobicContact CD2-CD2 3.87Å; L253-Y346 HydrophobicContact CD2-CE2 4.18Å; L253-Y346 HydrophobicContact CD2-CG 4.14Å; E277-Y346 PolarHBondContact OE1-OH 3.4Å; E277-Y346 WeakPolarHBondContact OE2-CE2 3.47Å; A342-Y346 WeakPolarHBondContact O-CB 3.49Å; A342-Y346 PolarHBondContact O-N 3.33Å; I343-Y346 PolarHBondContact O-N 2.9Å; I344-Y346 VanDerWaalsContact C-N 3.32Å; I344-Y346 PolarHBondContact O-N 3.21Å; Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 PolarHBondContact O-N 3.19Å; Y346-E349 PolarHBondContact O-N 2.81Å; Y346-C350 WeakPolarHBondContact O-CB 3.02Å; Y346-C350 PolarHBondContact O-N 2.87Å
347	L	95.9	Very high	94.5	Very high	9 Å²	9	24 Å²	24	5%	0.047	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-37.5	174.2	-62.3	-172.9	0	0	0	111.8	L221 I343 I344 W345 C350 K351 I352 D353 I356	L221-L347 HydrophobicContact CD2-CD2 4.12Å; I343-L347 HydrophobicContact CG2-CD1 3.99Å; I343-L347 HydrophobicContact CG2-CG 4.02Å; I343-L347 VanDerWaalsContact O-CG 3.29Å; I343-L347 WeakPolarHBondContact O-CG 3.23Å; I343-L347 PolarHBondContact O-N 3.26Å; I344-L347 PolarHBondContact O-N 3.02Å; W345-L347 PolarHBondContact O-N 3.21Å; L347-C350 CarbonylContact O-C 3.55Å; L347-C350 PolarHBondContact O-N 3.09Å; L347-K351 PolarHBondContact O-N 3.15Å; L347-I352 HydrophobicContact CB-CG1 3.97Å; L347-I352 HydrophobicContact CD2-CD1 3.47Å; L347-I352 VanDerWaalsContact CD2-CD1 3.47Å; L347-I352 HydrophobicContact CD2-CG1 3.73Å; L347-I352 HydrophobicContact CG-CG1 4.4Å; L347-I352 WeakPolarHBondContact O-CG1 3.12Å; L347-I352 PolarHBondContact O-N 3.44Å; L347-D353 HydrophobicContact CB-CB 3.96Å; L347-D353 PolarHBondContact O-N 3.17Å; L347-I356 HydrophobicContact CD1-CB 4.17Å; L347-I356 HydrophobicContact CD1-CD1 4.01Å; L347-I356 HydrophobicContact CD1-CG2 4.07Å; L347-I356 HydrophobicContact CD2-CD1 3.79Å; L347-I356 HydrophobicContact CG-CD1 4.5Å
348	K	94.9	Very high	94.4	Very high	54 Å²	54	26.8 Å²	26.8	24%	0.235	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-39.3	174	-77.5	176.9	175.1	-171.3	0	112.4	S294 Y300 I344 W345 Y346 K351 D353	S294-K348 PolarHBondContact O-NZ 3.32Å; S294-K348 PolarHBondContact OG-NZ 2.95Å; Y300-K348 WeakPolarHBondContact OH-CE 3.46Å; Y300-K348 PolarHBondContact OH-NZ 2.96Å; I344-K348 HydrophobicContact CG2-CD 4.26Å; I344-K348 WeakPolarHBondContact O-CG 3.25Å; I344-K348 PolarHBondContact O-N 3.02Å; W345-K348 WeakPolarHBondContact O-CB 3.4Å; W345-K348 PolarHBondContact O-N 2.74Å; Y346-K348 VanDerWaalsContact C-N 3.33Å; Y346-K348 PolarHBondContact O-N 3.19Å; K348-K351 WeakPolarHBondContact O-CD 3.39Å; K348-K351 WeakPolarHBondContact O-CE 3.42Å; K348-K351 PolarHBondContact O-N 2.76Å; K348-K351 PolarHBondContact O-NZ 3.4Å; K348-D353 HydrophobicContact CG-CB 3.86Å; K348-D353 WeakPolarHBondContact CG-OD2 3.42Å
349	E	94.4	Very high	94.2	Very high	68 Å²	68	28 Å²	28	32%	0.318	13%	0.134	S	C	.	.	H	α-helix	trans	-63.7	-45.2	173.4	-73.1	-57.7	101.9	0	0	110.7	W345 Y346 K351	W345-E349 HydrophobicContact CD2-CG 4.24Å; W345-E349 HydrophobicContact CE3-CG 4.35Å; W345-E349 HydrophobicContact CH2-CG 3.86Å; W345-E349 HydrophobicContact CZ2-CG 3.7Å; W345-E349 HydrophobicContact CZ3-CG 4.17Å; W345-E349 PolarHBondContact O-N 3.24Å; Y346-E349 PolarHBondContact O-N 2.81Å; E349-K351 PolarHBondContact O-N 2.89Å
350	C	96.2	Very high	94	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-70.4	-12.3	177.1	-76.5	0	0	0	0	115	R197 I198 T203 Y346 L347 I352	R197-C350 WeakPolarHBondContact CD-O 3.41Å; I198-C350 PolarHBondContact N-O 2.98Å; I198-C350 WeakPolarHBondContact O-CB 3.38Å; I198-C350 PolarHBondContact O-SG 2.87Å; T203-C350 HydrophobicContact CG2-CB 4.45Å; Y346-C350 WeakPolarHBondContact O-CB 3.02Å; Y346-C350 PolarHBondContact O-N 2.87Å; L347-C350 CarbonylContact O-C 3.55Å; L347-C350 PolarHBondContact O-N 3.09Å; C350-I352 HydrophobicContact CB-CD1 3.73Å; C350-I352 HydrophobicContact CB-CG1 3.6Å
351	K	95.2	Very high	93.7	Very high	64 Å²	64	34.4 Å²	34.4	28%	0.278	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	48.8	-174.2	-45.5	-63.3	165.2	-149.7	0	111.6	R197 L347 K348 E349 H491	R197-K351 PolarHBondContact NH1-O 3.39Å; L347-K351 PolarHBondContact O-N 3.15Å; K348-K351 WeakPolarHBondContact O-CD 3.39Å; K348-K351 WeakPolarHBondContact O-CE 3.42Å; K348-K351 PolarHBondContact O-N 2.76Å; K348-K351 PolarHBondContact O-NZ 3.4Å; E349-K351 PolarHBondContact O-N 2.89Å; K351-H491 PolarHBondContact O-NE2 3.36Å
352	I	95	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.165	C	C	.	.			trans	-132.2	1.3	177.9	44.4	-179.2	0	0	0	113.8	T203 M205 L347 C350 H354 D355 I356	T203-I352 HydrophobicContact CG2-CD1 3.79Å; M205-I352 HydrophobicContact CG-CG2 4.05Å; L347-I352 HydrophobicContact CB-CG1 3.97Å; L347-I352 HydrophobicContact CD2-CD1 3.47Å; L347-I352 VanDerWaalsContact CD2-CD1 3.47Å; L347-I352 HydrophobicContact CD2-CG1 3.73Å; L347-I352 HydrophobicContact CG-CG1 4.4Å; L347-I352 WeakPolarHBondContact O-CG1 3.12Å; L347-I352 PolarHBondContact O-N 3.44Å; C350-I352 HydrophobicContact CB-CD1 3.73Å; C350-I352 HydrophobicContact CB-CG1 3.6Å; I352-H354 VanDerWaalsContact C-N 3.34Å; I352-H354 PolarHBondContact O-N 2.73Å; I352-D355 PolarHBondContact O-N 2.71Å; I352-I356 HydrophobicContact CB-CD1 4.16Å; I352-I356 HydrophobicContact CD1-CD1 3.97Å; I352-I356 HydrophobicContact CG1-CD1 4.26Å; I352-I356 PolarHBondContact O-N 3.01Å
353	D	94.4	Very high	93.1	Very high	15 Å²	15	42.8 Å²	42.8	8%	0.08	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-45.4	-175.8	57.5	-43.8	0	0	0	112	Y300 L347 K348 I356 L357	Y300-D353 HydrophobicContact CE1-CB 4.1Å; Y300-D353 WeakPolarHBondContact CE1-OD2 3.46Å; Y300-D353 PolarHBondContact OH-OD2 3.47Å; L347-D353 HydrophobicContact CB-CB 3.96Å; L347-D353 PolarHBondContact O-N 3.17Å; K348-D353 HydrophobicContact CG-CB 3.86Å; K348-D353 WeakPolarHBondContact CG-OD2 3.42Å; D353-I356 PolarHBondContact O-N 3.19Å; D353-L357 HydrophobicContact CB-CD1 4.29Å; D353-L357 VanDerWaalsContact O-CB 3.24Å; D353-L357 WeakPolarHBondContact O-CB 3.27Å; D353-L357 VanDerWaalsContact O-CG 3.3Å; D353-L357 WeakPolarHBondContact O-CG 3.49Å; D353-L357 PolarHBondContact O-N 2.74Å
354	H	93.4	Very high	92.7	Very high	63 Å²	63	44.7 Å²	44.7	29%	0.292	21%	0.212	S	C	.	.	H	α-helix	trans	-66.1	-42.1	174.1	-74	-87.8	0	0	0	112.9	G298 Y300 I352 I356 E358 I484	G298-H354 PolarHBondContact O-CE1 2.86Å; Y300-H354 AromaticContact CD1-CE1 3.87Å; Y300-H354 AromaticContact CD1-ND1 3.79Å; Y300-H354 AromaticContact CE1-CD2 3.86Å; Y300-H354 AromaticContact CE1-CE1 3.71Å; Y300-H354 AromaticContact CE1-CG 3.97Å; Y300-H354 AromaticContact CE1-ND1 3.88Å; Y300-H354 AromaticContact CE1-NE2 3.71Å; I352-H354 VanDerWaalsContact C-N 3.34Å; I352-H354 PolarHBondContact O-N 2.73Å; H354-I356 PolarHBondContact O-N 2.78Å; H354-I356 VanDerWaalsContact O-N 3.09Å; H354-E358 IonicContact CE1-OE1 3.11Å; H354-E358 IonicContact CG-OE1 3.72Å; H354-E358 IonicContact ND1-OE1 3.8Å; H354-E358 PolarHBondContact ND1-OE1 3.37Å; H354-E358 WeakPolarHBondContact O-CB 3.43Å; H354-E358 WeakPolarHBondContact O-CG 3.22Å; H354-E358 PolarHBondContact O-N 2.92Å; H354-I484 HydrophobicContact CB-CD1 4.05Å
355	D	92.6	Very high	92.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-26.2	179.7	-63.4	-52.3	0	0	0	112.7	R197 M205 I352 H480 S481 K485	R197-D355 IonicContact CZ-OD2 3.84Å; R197-D355 IonicContact NH1-OD2 3.29Å; R197-D355 PolarHBondContact NH1-OD2 3.15Å; R197-D355 IonicContact NH2-OD2 2.66Å; M205-D355 HydrophobicContact CE-CB 3.82Å; I352-D355 PolarHBondContact O-N 2.71Å; D355-H480 PolarHBondContact O-CD2 2.9Å; D355-S481 WeakPolarHBondContact OD1-CA 3.22Å; D355-S481 VanDerWaalsContact OD1-CB 3.26Å; D355-S481 WeakPolarHBondContact OD1-CB 3.34Å; D355-K485 WeakPolarHBondContact OD1-CE 3.27Å; D355-K485 IonicContact OD1-NZ 2.67Å; D355-K485 IonicContact OD2-NZ 3.59Å
356	I	93.3	Very high	91.6	Very high	55 Å²	55	51.4 Å²	51.4	28%	0.282	24%	0.243	S	C	.	.	H	α-helix	trans	-106.9	-48.1	-174.3	-66.5	170.7	0	0	0	112.1	M205 L347 I352 D353 H354 L359	M205-I356 HydrophobicContact CE-CD1 4.44Å; M205-I356 HydrophobicContact CE-CG1 3.94Å; M205-I356 HydrophobicContact SD-CD1 4.01Å; M205-I356 HydrophobicContact SD-CG1 4.11Å; L347-I356 HydrophobicContact CD1-CB 4.17Å; L347-I356 HydrophobicContact CD1-CD1 4.01Å; L347-I356 HydrophobicContact CD1-CG2 4.07Å; L347-I356 HydrophobicContact CD2-CD1 3.79Å; L347-I356 HydrophobicContact CG-CD1 4.5Å; I352-I356 HydrophobicContact CB-CD1 4.16Å; I352-I356 HydrophobicContact CD1-CD1 3.97Å; I352-I356 HydrophobicContact CG1-CD1 4.26Å; I352-I356 PolarHBondContact O-N 3.01Å; D353-I356 PolarHBondContact O-N 3.19Å; H354-I356 PolarHBondContact O-N 2.78Å; H354-I356 VanDerWaalsContact O-N 3.09Å; I356-L359 WeakPolarHBondContact O-CB 3.18Å; I356-L359 PolarHBondContact O-N 2.86Å
357	L	92.8	Very high	91.1	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-32.8	-172.6	-65.3	171.6	0	0	0	111.9	L295 Y300 F301 F340 I344 D353 L359 K360	L295-L357 HydrophobicContact CD2-CD1 4.08Å; Y300-L357 HydrophobicContact CD1-CB 3.88Å; Y300-L357 HydrophobicContact CD1-CD1 3.92Å; Y300-L357 HydrophobicContact CD2-CB 4.43Å; Y300-L357 HydrophobicContact CD2-CD1 3.73Å; Y300-L357 HydrophobicContact CE1-CD1 3.85Å; Y300-L357 HydrophobicContact CE2-CD1 3.64Å; Y300-L357 HydrophobicContact CG-CB 3.81Å; Y300-L357 HydrophobicContact CG-CD1 3.86Å; Y300-L357 HydrophobicContact CG-CG 4.5Å; F301-L357 HydrophobicContact CE1-CB 4.44Å; F301-L357 VanDerWaalsContact CE1-O 3.31Å; F301-L357 WeakPolarHBondContact CE1-O 3.49Å; F340-L357 HydrophobicContact CE2-CD2 4.31Å; F340-L357 HydrophobicContact CZ-CD2 3.86Å; I344-L357 HydrophobicContact CG1-CD1 4.25Å; I344-L357 HydrophobicContact CG1-CD2 4.46Å; I344-L357 HydrophobicContact CG2-CD1 4.36Å; D353-L357 HydrophobicContact CB-CD1 4.29Å; D353-L357 VanDerWaalsContact O-CB 3.24Å; D353-L357 WeakPolarHBondContact O-CB 3.27Å; D353-L357 VanDerWaalsContact O-CG 3.3Å; D353-L357 WeakPolarHBondContact O-CG 3.49Å; D353-L357 PolarHBondContact O-N 2.74Å; L357-L359 PolarHBondContact O-N 3.04Å; L357-K360 PolarHBondContact O-N 2.85Å
358	E	91.7	Very high	90.3	Very high	60 Å²	60	52.7 Å²	52.7	28%	0.28	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.4	179.2	-65.4	-171.7	-163.9	0	0	113.5	H354 K360 I484	H354-E358 IonicContact CE1-OE1 3.11Å; H354-E358 IonicContact CG-OE1 3.72Å; H354-E358 IonicContact ND1-OE1 3.8Å; H354-E358 PolarHBondContact ND1-OE1 3.37Å; H354-E358 WeakPolarHBondContact O-CB 3.43Å; H354-E358 WeakPolarHBondContact O-CG 3.22Å; H354-E358 PolarHBondContact O-N 2.92Å; E358-K360 PolarHBondContact O-N 3.44Å; E358-I484 VanDerWaalsContact OE2-CG2 3.3Å; E358-I484 WeakPolarHBondContact OE2-CG2 3.47Å
359	L	88.4	Confident	89.6	Confident	41 Å²	41	51.9 Å²	51.9	22%	0.215	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.4	170.3	-68.1	172.4	0	0	0	112.9	I356 L357 K361 Q477 H480	I356-L359 WeakPolarHBondContact O-CB 3.18Å; I356-L359 PolarHBondContact O-N 2.86Å; L357-L359 PolarHBondContact O-N 3.04Å; L359-K361 HydrophobicContact CB-CG 4.4Å; L359-K361 PolarHBondContact O-N 3.03Å; L359-Q477 HydrophobicContact CD1-CG 4.42Å; L359-H480 HydrophobicContact CD2-CB 4.02Å; L359-H480 WeakPolarHBondContact CD2-CD2 3.46Å
360	K	88.8	Confident	88.8	Confident	89 Å²	89	51 Å²	51	39%	0.387	25%	0.248	S	C	.	.			trans	56.2	19.8	-179	-52	-172.3	-179.6	-166.9	0	114.7	F301 P312 L357 E358 I362	F301-K360 HydrophobicContact CD1-CG 4.06Å; F301-K360 PolarHBondContact O-NZ 3.28Å; P312-K360 HydrophobicContact CG-CB 4.28Å; L357-K360 PolarHBondContact O-N 2.85Å; E358-K360 PolarHBondContact O-N 3.44Å; K360-I362 PolarHBondContact O-N 3.37Å
361	K	87.6	Confident	87	Confident	106 Å²	106	55.4 Å²	55.4	46%	0.461	28%	0.279	S	S	.	.			trans	-88.3	76.4	179.7	-71.7	-170.4	172.3	-168	0	111.6	L359 Y690	L359-K361 HydrophobicContact CB-CG 4.4Å; L359-K361 PolarHBondContact O-N 3.03Å; K361-Y690 VanDerWaalsContact CE-CD2 3.48Å; K361-Y690 VanDerWaalsContact NZ-CZ 3.3Å
362	I	89.6	Confident	85	Confident	30 Å²	30	57.4 Å²	57.4	15%	0.154	28%	0.284	C	S	.	.			trans	-112.9	119.9	179.8	-56.3	178.4	0	0	0	108.9	F301 P312 T314 L315 F340 K360	F301-I362 HydrophobicContact CE1-CD1 4.41Å; F301-I362 HydrophobicContact CZ-CD1 4.06Å; P312-I362 HydrophobicContact CG-CD1 4.25Å; T314-I362 VanDerWaalsContact CB-O 3.27Å; T314-I362 WeakPolarHBondContact CB-O 3.48Å; T314-I362 HydrophobicContact CG2-CG2 4.25Å; T314-I362 WeakPolarHBondContact CG2-O 3.2Å; T314-I362 PolarHBondContact OG1-O 3.18Å; L315-I362 HydrophobicContact CD1-CD1 3.49Å; L315-I362 VanDerWaalsContact CD1-CD1 3.49Å; L315-I362 HydrophobicContact CD2-CD1 4.36Å; L315-I362 HydrophobicContact CD2-CG2 4.21Å; L315-I362 HydrophobicContact CG-CD1 3.8Å; L315-I362 HydrophobicContact CG-CG2 4.3Å; F340-I362 HydrophobicContact CE1-CD1 4.36Å; F340-I362 HydrophobicContact CZ-CD1 3.97Å; K360-I362 PolarHBondContact O-N 3.37Å
363	N	88.1	Confident	82.4	Confident	148 Å²	148	61.6 Å²	61.6	79%	0.791	31%	0.314	S	S	*	.			trans	-119.6	135.7	178.3	-63.8	-44.7	0	0	0	109.8
364	L	87.4	Confident	79.8	Confident	70 Å²	70	65.1 Å²	65.1	37%	0.366	33%	0.333	S	S	.	.			trans	-78.6	131.2	172.2	-173.2	65.3	0	0	0	109.1	T314 L318 E366	T314-L364 HydrophobicContact CG2-CB 4.04Å; L318-L364 HydrophobicContact CD2-CD1 4.22Å; L318-L364 HydrophobicContact CD2-CD2 4.39Å; L364-E366 HydrophobicContact CD2-CG 4.43Å; L364-E366 HydrophobicContact CG-CG 4.46Å
365	Y	85.8	Confident	77.1	Confident	78 Å²	78	71.4 Å²	71.4	31%	0.306	36%	0.362	S	S	.	.			trans	-92.7	130.5	171.5	173.6	-94.3	0	0	0	109.8	I243 F247 P367	I243-Y365 HydrophobicContact CD1-CD1 4.17Å; I243-Y365 HydrophobicContact CD1-CE1 3.51Å; I243-Y365 HydrophobicContact CG1-CD1 4.34Å; I243-Y365 HydrophobicContact CG1-CE1 3.44Å; I243-Y365 VanDerWaalsContact CG1-CE1 3.44Å; I243-Y365 WeakPolarHBondContact CG1-OH 3.44Å; F247-Y365 AromaticContact CE2-CD2 3.8Å; F247-Y365 HydrophobicContact CE2-CD2 3.8Å; F247-Y365 AromaticContact CE2-CE2 3.75Å; F247-Y365 HydrophobicContact CE2-CE2 3.75Å; F247-Y365 HydrophobicContact CZ-CD2 4.49Å; Y365-P367 HydrophobicContact CE1-CG 3.96Å
366	E	82.4	Confident	74.6	Confident	111 Å²	111	76.6 Å²	76.6	52%	0.519	40%	0.398	S	S	.	.			trans	-123.8	129.8	172.2	-64.9	-172.7	149.8	0	0	109.4	L364	L364-E366 HydrophobicContact CD2-CG 4.43Å; L364-E366 HydrophobicContact CG-CG 4.46Å
367	P	84.4	Confident	71.9	Confident	7 Å²	7	76.4 Å²	76.4	5%	0.045	40%	0.402	C	S	.	.			trans	-56.8	131.7	173.6	-25.6	34.2	0	0	0	111.2	F231 Y365 D369 I370	F231-P367 HydrophobicContact CB-CG 4.06Å; F231-P367 HydrophobicContact CD1-CG 4.03Å; F231-P367 HydrophobicContact CD2-CG 3.85Å; F231-P367 HydrophobicContact CE1-CG 4.47Å; F231-P367 HydrophobicContact CE2-CG 4.32Å; F231-P367 HydrophobicContact CG-CG 3.71Å; Y365-P367 HydrophobicContact CE1-CG 3.96Å; P367-D369 VanDerWaalsContact CB-OD1 3.24Å; P367-D369 WeakPolarHBondContact CB-OD1 3.37Å; P367-D369 PolarHBondContact O-N 2.89Å; P367-I370 HydrophobicContact CB-CD1 3.95Å; P367-I370 HydrophobicContact CB-CG1 4.1Å; P367-I370 HydrophobicContact CG-CD1 3.79Å; P367-I370 HydrophobicContact CG-CG1 4.48Å; P367-I370 PolarHBondContact O-N 3.43Å
368	P	80.8	Confident	69.3	Low	36 Å²	36	81.3 Å²	81.3	23%	0.234	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.3	-172.7	28.3	-36.4	0	0	0	113.8	I387	P368-I387 HydrophobicContact CB-CG1 4.14Å; P368-I387 HydrophobicContact CG-CG1 4.38Å
369	D	79.6	Confident	66.7	Low	37 Å²	37	85 Å²	85	20%	0.198	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.3	176.4	70.8	-49.1	0	0	0	113.9	R239 P367 I387	R239-D369 IonicContact CZ-OD2 3.44Å; R239-D369 IonicContact NE-OD1 3.59Å; R239-D369 PolarHBondContact NE-OD1 3.46Å; R239-D369 IonicContact NE-OD2 2.88Å; R239-D369 PolarHBondContact NE-OD2 3.26Å; R239-D369 IonicContact NH2-OD2 3.89Å; R239-D369 PolarHBondContact NH2-OD2 2.94Å; P367-D369 VanDerWaalsContact CB-OD1 3.24Å; P367-D369 WeakPolarHBondContact CB-OD1 3.37Å; P367-D369 PolarHBondContact O-N 2.89Å; D369-I387 HydrophobicContact CB-CD1 3.66Å; D369-I387 HydrophobicContact CB-CG1 4.44Å; D369-I387 HydrophobicContact CB-CG2 4.47Å
370	I	77.4	Confident	64.5	Low	48 Å²	48	88.3 Å²	88.3	25%	0.246	49%	0.488	C	S	.	.			trans	-95.1	106.8	176.3	-61.1	177.3	0	0	0	108.4	F231 P367 R372	F231-I370 HydrophobicContact CB-CD1 3.43Å; F231-I370 VanDerWaalsContact CB-CD1 3.43Å; F231-I370 HydrophobicContact CG-CD1 4.44Å; P367-I370 HydrophobicContact CB-CD1 3.95Å; P367-I370 HydrophobicContact CB-CG1 4.1Å; P367-I370 HydrophobicContact CG-CD1 3.79Å; P367-I370 HydrophobicContact CG-CG1 4.48Å; P367-I370 PolarHBondContact O-N 3.43Å; I370-R372 HydrophobicContact CG2-CG 4.11Å; I370-R372 PolarHBondContact O-N 2.85Å
371	S	58.8	Low	62.7	Low	94 Å²	94	89.8 Å²	89.8	66%	0.657	50%	0.499	S	S	*	.			trans	-92.9	90.9	168.1	-48.1	0	0	0	0	107.8	S373	S371-S373 VanDerWaalsContact C-N 3.32Å; S371-S373 PolarHBondContact O-N 3.2Å
372	R	52.7	Low	61.4	Low	106 Å²	106	92.4 Å²	92.4	40%	0.4	51%	0.514	S	S	.	.			trans	-66.4	101.5	164.6	-77.3	-175.6	179	-176.8	0.3	106.1	E230 I370 D374	E230-R372 PolarHBondContact O-NH2 2.86Å; E230-R372 VanDerWaalsContact O-NH2 3.09Å; I370-R372 HydrophobicContact CG2-CG 4.11Å; I370-R372 PolarHBondContact O-N 2.85Å; R372-D374 VanDerWaalsContact C-N 3.29Å; R372-D374 PolarHBondContact O-N 3.17Å
373	S	41.3	Very low	60.6	Low	88 Å²	88	93.4 Å²	93.4	62%	0.615	52%	0.517	S	S	*	.			trans	-62.7	101.9	160.1	55.5	0	0	0	0	105.5	S371 Q375	S371-S373 VanDerWaalsContact C-N 3.32Å; S371-S373 PolarHBondContact O-N 3.2Å; S373-Q375 VanDerWaalsContact C-N 3.31Å; S373-Q375 PolarHBondContact O-N 3.46Å
374	D	38.4	Very low	60.3	Low	89 Å²	89	92.3 Å²	92.3	48%	0.476	51%	0.505	S	S	.	.			trans	-53.9	106.3	160.7	-96.7	-15.1	0	0	0	106	R372 S376 S377	R372-D374 VanDerWaalsContact C-N 3.29Å; R372-D374 PolarHBondContact O-N 3.17Å; D374-S376 PolarHBondContact O-N 3.49Å; D374-S377 WeakPolarHBondContact CB-OG 3.48Å; D374-S377 PolarHBondContact O-N 3.37Å; D374-S377 VanDerWaalsContact O-N 3.09Å
375	Q	36.5	Very low	60.5	Low	196 Å²	196	91.3 Å²	91.3	92%	0.916	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.4	177.9	-67.1	-177.1	1.8	0	0	111.5	S373	S373-Q375 VanDerWaalsContact C-N 3.31Å; S373-Q375 PolarHBondContact O-N 3.46Å
376	S	40.5	Very low	60.9	Low	111 Å²	111	87.7 Å²	87.7	78%	0.776	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-14.4	176.8	37.3	0	0	0	0	115.5	D374	D374-S376 PolarHBondContact O-N 3.49Å
377	S	36.8	Very low	61.4	Low	52 Å²	52	83 Å²	83	36%	0.364	46%	0.461	S	S	.	.			trans	-118.6	114.7	179.4	27.6	0	0	0	0	110.4	D374 I379	D374-S377 WeakPolarHBondContact CB-OG 3.48Å; D374-S377 PolarHBondContact O-N 3.37Å; D374-S377 VanDerWaalsContact O-N 3.09Å; S377-I379 PolarHBondContact O-N 2.94Å
378	A	37.9	Very low	61.8	Low	111 Å²	111	82.9 Å²	82.9	92%	0.917	46%	0.46	S	S	*	.	S	Bend	trans	-64.8	6.7	-178.6	0	0	0	0	0	114.9
379	I	37.7	Very low	62.2	Low	136 Å²	136	81.7 Å²	81.7	70%	0.697	45%	0.451	S	S	*	.	S	Bend	trans	-115.4	114.8	-179.9	-52.8	173.5	0	0	0	106.7	S377 L381	S377-I379 PolarHBondContact O-N 2.94Å; I379-L381 PolarHBondContact O-N 3.24Å
380	P	42	Very low	62.7	Low	111 Å²	111	80.1 Å²	80.1	72%	0.721	44%	0.443	S	S	*	.			trans	-56.7	124.6	175.2	-5.7	11.9	0	0	0	109	Q382	P380-Q382 PolarHBondContact O-N 3.44Å
381	L	51.4	Low	63.2	Low	120 Å²	120	79.2 Å²	79.2	63%	0.628	44%	0.438	S	S	*	.			trans	-53	114.9	174.6	-107	121.2	0	0	0	108.9	I379 K383	I379-L381 PolarHBondContact O-N 3.24Å; L381-K383 PolarHBondContact O-N 2.96Å
382	Q	59.8	Low	64.7	Low	162 Å²	162	74.8 Å²	74.8	76%	0.757	41%	0.407	S	S	*	.			trans	-69	122	-173.5	-156	173.3	6.2	0	0	108.8	P380 K384	P380-Q382 PolarHBondContact O-N 3.44Å; Q382-K384 PolarHBondContact O-N 3.19Å; Q382-K384 VanDerWaalsContact O-N 3.13Å
383	K	73.1	Confident	66.6	Low	50 Å²	50	69.7 Å²	69.7	22%	0.217	39%	0.388	C	S	.	.			trans	-57.6	118.6	-178.1	-174.3	171.7	178.7	178.6	0	110.1	L381 Y385 Y437 D787	L381-K383 PolarHBondContact O-N 2.96Å; K383-Y385 WeakPolarHBondContact CE-O 3.47Å; K383-Y437 HydrophobicContact CB-CD1 3.88Å; K383-Y437 HydrophobicContact CB-CE1 4.35Å; K383-Y437 HydrophobicContact CD-CD1 4.36Å; K383-Y437 HydrophobicContact CG-CD1 4.15Å; K383-Y437 WeakPolarHBondContact O-CD1 3.05Å; K383-D787 WeakPolarHBondContact CE-O 3.19Å; K383-D787 PolarHBondContact NZ-O 2.84Å
384	K	82.8	Confident	68.8	Low	125 Å²	125	69 Å²	69	54%	0.543	37%	0.372	S	S	.	.			trans	-83.4	-35.6	-173	-170	175.5	179.5	-169.6	0	113.6	Q382 Y437	Q382-K384 PolarHBondContact O-N 3.19Å; Q382-K384 VanDerWaalsContact O-N 3.13Å; K384-Y437 PolarHBondContact O-N 2.86Å
385	Y	91.5	Very high	71.2	Confident	50 Å²	50	65.5 Å²	65.5	20%	0.196	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-125.2	148.5	-171.5	-56.8	-68.5	0	0	0	112.7	K383 N434 P435 L436	K383-Y385 WeakPolarHBondContact CE-O 3.47Å; Y385-N434 HydrophobicContact CD1-CB 3.82Å; Y385-N434 WeakPolarHBondContact CD1-O 3.5Å; Y385-N434 HydrophobicContact CD2-CB 4.48Å; Y385-N434 HydrophobicContact CE1-CB 4.16Å; Y385-N434 HydrophobicContact CG-CB 4Å; Y385-P435 CarbonylContact C-O 3.53Å; Y385-P435 WeakPolarHBondContact CA-O 3.16Å; Y385-P435 WeakPolarHBondContact CB-O 3.43Å; Y385-L436 HydrophobicContact CD1-CD2 4.12Å; Y385-L436 HydrophobicContact CE1-CD2 3.91Å
386	M	93.9	Very high	73.8	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	31%	0.31	C	S	.	.			trans	-71.6	130.9	164.6	179.6	177.5	75.5	0	0	108.5	M388 P435 I767 I768 H771 V786 M789	M386-M388 HydrophobicContact CE-CG 4.04Å; M386-M388 HydrophobicContact CE-SD 3.78Å; M386-P435 HydrophobicContact CB-CB 4.35Å; M386-P435 HydrophobicContact CE-CB 3.98Å; M386-P435 HydrophobicContact CE-CG 3.82Å; M386-P435 PolarHBondContact N-O 3.43Å; M386-I767 HydrophobicContact SD-CG2 4.21Å; M386-I768 HydrophobicContact CE-CG1 3.91Å; M386-H771 HydrophobicContact CE-CB 4.44Å; M386-V786 HydrophobicContact CG-CG1 4.47Å; M386-V786 WeakPolarHBondContact CG-O 3.19Å; M386-V786 HydrophobicContact SD-CB 3.92Å; M386-V786 HydrophobicContact SD-CG1 3.86Å; M386-M789 HydrophobicContact CE-CG 3.72Å; M386-M789 HydrophobicContact CG-CG 4.41Å; M386-M789 HydrophobicContact SD-CG 3.62Å; M386-M789 HydrophobicContact SD-SD 4.38Å
387	I	92.6	Very high	76.2	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.062	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131	-178.3	-58.5	160.4	0	0	0	109.8	P368 D369 D787 R788 M789	P368-I387 HydrophobicContact CB-CG1 4.14Å; P368-I387 HydrophobicContact CG-CG1 4.38Å; D369-I387 HydrophobicContact CB-CD1 3.66Å; D369-I387 HydrophobicContact CB-CG1 4.44Å; D369-I387 HydrophobicContact CB-CG2 4.47Å; I387-D787 PolarHBondContact N-O 2.99Å; I387-R788 HydrophobicContact CB-CB 3.98Å; I387-R788 HydrophobicContact CB-CG 3.76Å; I387-R788 HydrophobicContact CD1-CB 4.43Å; I387-R788 HydrophobicContact CG2-CG 3.95Å; I387-R788 WeakPolarHBondContact O-CA 3.37Å; I387-M789 PolarHBondContact O-N 2.94Å
388	M	92.7	Very high	78.8	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.02	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.3	168.2	-63.6	-168.5	-65.1	0	0	109.2	T242 M386 T392 L393 L432 P435 I768 M789	T242-M388 WeakPolarHBondContact CG2-O 3.44Å; M386-M388 HydrophobicContact CE-CG 4.04Å; M386-M388 HydrophobicContact CE-SD 3.78Å; M388-T392 HydrophobicContact CB-CG2 4.28Å; M388-T392 HydrophobicContact CG-CG2 4.28Å; M388-T392 HydrophobicContact SD-CG2 4.46Å; M388-L393 HydrophobicContact CB-CD2 4.13Å; M388-L393 HydrophobicContact CB-CG 4.25Å; M388-L393 HydrophobicContact CE-CD2 3.78Å; M388-L393 HydrophobicContact SD-CD2 4.38Å; M388-L432 WeakPolarHBondContact CE-O 3.29Å; M388-P435 HydrophobicContact CE-CG 3.41Å; M388-P435 VanDerWaalsContact CE-CG 3.41Å; M388-P435 HydrophobicContact SD-CG 4.35Å; M388-I768 HydrophobicContact CE-CD1 4.47Å; M388-I768 HydrophobicContact SD-CD1 3.55Å; M388-I768 VanDerWaalsContact SD-CD1 3.55Å; M388-I768 HydrophobicContact SD-CG1 3.64Å; M388-M789 HydrophobicContact CG-CB 4.2Å; M388-M789 HydrophobicContact CG-CG 4.38Å
389	D	89.5	Confident	81.4	Confident	11 Å²	11	45.7 Å²	45.7	6%	0.059	23%	0.225	C	C	.	.			trans	-81.6	167.9	173.2	51.6	33.1	0	0	0	111.8	T242 I391 T392 L393 R788	T242-D389 WeakPolarHBondContact OG1-CA 3.09Å; D389-I391 PolarHBondContact O-N 3.44Å; D389-T392 WeakPolarHBondContact O-CB 3.47Å; D389-T392 PolarHBondContact O-N 3.14Å; D389-T392 WeakPolarHBondContact OD1-CB 3.29Å; D389-T392 PolarHBondContact OD1-N 2.88Å; D389-T392 PolarHBondContact OD1-OG1 3.29Å; D389-L393 WeakPolarHBondContact O-CG 3.39Å; D389-L393 PolarHBondContact O-N 2.96Å; D389-R788 IonicContact OD2-NH2 3.96Å; D389-R788 PolarHBondContact OD2-NH2 3.04Å; D389-R788 VanDerWaalsContact OD2-NH2 3.17Å
390	E	88.6	Confident	83.7	Confident	5 Å²	5	42.6 Å²	42.6	2%	0.023	21%	0.205	C	C	.	.	H	α-helix	trans	-53.7	-38.6	177.8	-179.7	-84.7	141.7	0	0	112.6	R241 T242 A245 T392 L393 R394 Y403	R241-E390 HydrophobicContact CB-CB 3.76Å; R241-E390 HydrophobicContact CB-CG 4.2Å; T242-E390 PolarHBondContact OG1-N 2.85Å; A245-E390 HydrophobicContact CB-CB 4.23Å; A245-E390 HydrophobicContact CB-CG 4.22Å; E390-T392 VanDerWaalsContact C-N 3.32Å; E390-T392 PolarHBondContact O-N 3.46Å; E390-L393 PolarHBondContact O-N 3.41Å; E390-R394 WeakPolarHBondContact O-CB 3.45Å; E390-R394 PolarHBondContact O-N 3.2Å; E390-R394 WeakPolarHBondContact OE1-CD 3.3Å; E390-R394 IonicContact OE1-CZ 3.94Å; E390-R394 IonicContact OE1-NE 3.87Å; E390-R394 IonicContact OE1-NH1 2.69Å; E390-R394 PolarHBondContact OE1-NH1 3.12Å; E390-R394 IonicContact OE2-CZ 3.73Å; E390-R394 IonicContact OE2-NH1 3.21Å; E390-R394 PolarHBondContact OE2-NH1 3.46Å; E390-Y403 WeakPolarHBondContact CG-OH 3.42Å; E390-Y403 PolarHBondContact OE1-OH 2.83Å
391	I	87.8	Confident	85.6	Confident	29 Å²	29	37.6 Å²	37.6	15%	0.149	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-44.6	179.6	-60.2	-177.9	0	0	0	109.8	D389 R394 N395 E812	D389-I391 PolarHBondContact O-N 3.44Å; I391-R394 PolarHBondContact O-N 3.1Å; I391-N395 VanDerWaalsContact CG2-ND2 3.33Å; I391-N395 WeakPolarHBondContact CG2-ND2 3.17Å; I391-N395 WeakPolarHBondContact O-CB 3.09Å; I391-N395 PolarHBondContact O-N 3.23Å; I391-N395 PolarHBondContact O-ND2 3.45Å; I391-E812 HydrophobicContact CD1-CG 3.88Å
392	T	91.7	Very high	86.5	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-46	175.7	-61.2	0	0	0	0	112.7	M388 D389 E390 R394 N395 L396 M789 T791	M388-T392 HydrophobicContact CB-CG2 4.28Å; M388-T392 HydrophobicContact CG-CG2 4.28Å; M388-T392 HydrophobicContact SD-CG2 4.46Å; D389-T392 WeakPolarHBondContact O-CB 3.47Å; D389-T392 PolarHBondContact O-N 3.14Å; D389-T392 WeakPolarHBondContact OD1-CB 3.29Å; D389-T392 PolarHBondContact OD1-N 2.88Å; D389-T392 PolarHBondContact OD1-OG1 3.29Å; E390-T392 VanDerWaalsContact C-N 3.32Å; E390-T392 PolarHBondContact O-N 3.46Å; T392-R394 VanDerWaalsContact C-N 3.27Å; T392-R394 PolarHBondContact O-N 3.14Å; T392-N395 PolarHBondContact O-N 2.94Å; T392-L396 HydrophobicContact CG2-CD1 3.86Å; T392-L396 HydrophobicContact CG2-CG 4.49Å; T392-L396 WeakPolarHBondContact O-CB 3.36Å; T392-L396 WeakPolarHBondContact O-CG 3.41Å; T392-L396 PolarHBondContact O-N 3.02Å; T392-M789 HydrophobicContact CG2-CB 3.72Å; T392-M789 PolarHBondContact OG1-O 3.19Å; T392-T791 VanDerWaalsContact CA-OG1 3.3Å; T392-T791 WeakPolarHBondContact CA-OG1 3.1Å; T392-T791 HydrophobicContact CG2-CG2 3.91Å
393	L	91.9	Very high	87.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-41.7	176.6	-68.9	172.5	0	0	0	111.6	A245 M388 D389 E390 D397 V398	A245-L393 HydrophobicContact CB-CD1 3.61Å; M388-L393 HydrophobicContact CB-CD2 4.13Å; M388-L393 HydrophobicContact CB-CG 4.25Å; M388-L393 HydrophobicContact CE-CD2 3.78Å; M388-L393 HydrophobicContact SD-CD2 4.38Å; D389-L393 WeakPolarHBondContact O-CG 3.39Å; D389-L393 PolarHBondContact O-N 2.96Å; E390-L393 PolarHBondContact O-N 3.41Å; L393-D397 PolarHBondContact O-N 2.91Å; L393-V398 HydrophobicContact CD2-CB 3.92Å; L393-V398 HydrophobicContact CD2-CG1 4.08Å; L393-V398 HydrophobicContact CD2-CG2 4.15Å; L393-V398 PolarHBondContact O-N 2.78Å
394	R	88.3	Confident	87.1	Confident	74 Å²	74	30.8 Å²	30.8	28%	0.279	14%	0.143	S	C	.	.	H	α-helix	trans	-70.6	-48.1	177.8	-177.2	178.6	67	-144.5	3.4	112.4	E390 I391 T392 L396 D397 L401 Y403	E390-R394 WeakPolarHBondContact O-CB 3.45Å; E390-R394 PolarHBondContact O-N 3.2Å; E390-R394 WeakPolarHBondContact OE1-CD 3.3Å; E390-R394 IonicContact OE1-CZ 3.94Å; E390-R394 IonicContact OE1-NE 3.87Å; E390-R394 IonicContact OE1-NH1 2.69Å; E390-R394 PolarHBondContact OE1-NH1 3.12Å; E390-R394 IonicContact OE2-CZ 3.73Å; E390-R394 IonicContact OE2-NH1 3.21Å; E390-R394 PolarHBondContact OE2-NH1 3.46Å; I391-R394 PolarHBondContact O-N 3.1Å; T392-R394 VanDerWaalsContact C-N 3.27Å; T392-R394 PolarHBondContact O-N 3.14Å; R394-L396 VanDerWaalsContact C-N 3.26Å; R394-L396 PolarHBondContact O-N 3Å; R394-D397 PolarHBondContact O-N 2.8Å; R394-L401 HydrophobicContact CB-CD1 3.71Å; R394-L401 HydrophobicContact CG-CD1 4.25Å; R394-Y403 HydrophobicContact CG-CE2 4.4Å
395	N	88.9	Confident	86.7	Confident	14 Å²	14	28.4 Å²	28.4	8%	0.075	14%	0.135	C	C	.	.	H	α-helix	trans	-71.7	-21.3	-174.3	-73.5	-12.4	0	0	0	113.2	I391 T392 R761 T791 I793	I391-N395 VanDerWaalsContact CG2-ND2 3.33Å; I391-N395 WeakPolarHBondContact CG2-ND2 3.17Å; I391-N395 WeakPolarHBondContact O-CB 3.09Å; I391-N395 PolarHBondContact O-N 3.23Å; I391-N395 PolarHBondContact O-ND2 3.45Å; T392-N395 PolarHBondContact O-N 2.94Å; N395-R761 PolarHBondContact O-NE 3.47Å; N395-R761 PolarHBondContact O-NH1 2.82Å; N395-R761 PolarHBondContact O-NH2 2.99Å; N395-T791 WeakPolarHBondContact CB-OG1 3.23Å; N395-T791 PolarHBondContact ND2-OG1 2.88Å; N395-I793 HydrophobicContact CB-CB 4.19Å; N395-I793 HydrophobicContact CB-CD1 4.33Å; N395-I793 HydrophobicContact CB-CG1 4.47Å; N395-I793 PolarHBondContact ND2-N 2.79Å
396	L	91	Very high	85.9	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.6	175.4	-59.8	-179.9	0	0	0	112.9	T392 R394 V398 R761 I768 M789 T791 I793 I827	T392-L396 HydrophobicContact CG2-CD1 3.86Å; T392-L396 HydrophobicContact CG2-CG 4.49Å; T392-L396 WeakPolarHBondContact O-CB 3.36Å; T392-L396 WeakPolarHBondContact O-CG 3.41Å; T392-L396 PolarHBondContact O-N 3.02Å; R394-L396 VanDerWaalsContact C-N 3.26Å; R394-L396 PolarHBondContact O-N 3Å; L396-V398 HydrophobicContact CB-CG2 3.72Å; L396-V398 PolarHBondContact O-N 2.86Å; L396-R761 HydrophobicContact CD2-CB 4.33Å; L396-R761 HydrophobicContact CD2-CG 4.21Å; L396-I768 HydrophobicContact CD1-CD1 3.82Å; L396-M789 HydrophobicContact CD1-CE 3.92Å; L396-T791 HydrophobicContact CD1-CG2 4.09Å; L396-T791 HydrophobicContact CD2-CG2 4.21Å; L396-T791 HydrophobicContact CG-CG2 4Å; L396-I793 HydrophobicContact CD2-CD1 4.21Å; L396-I827 HydrophobicContact CD2-CD1 4.09Å
397	D	90.1	Very high	85	Confident	48 Å²	48	38.2 Å²	38.2	26%	0.257	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	44.9	-179.5	-54	-58.3	0	0	0	112.3	L393 R394 T410 L411 R761	L393-D397 PolarHBondContact O-N 2.91Å; R394-D397 PolarHBondContact O-N 2.8Å; D397-T410 CarbonylContact O-C 3.44Å; D397-T410 VanDerWaalsContact O-CA 3.25Å; D397-T410 WeakPolarHBondContact O-CA 3.46Å; D397-T410 WeakPolarHBondContact O-CB 3.49Å; D397-L411 PolarHBondContact O-N 2.84Å; D397-R761 IonicContact OD1-NH1 3.78Å; D397-R761 IonicContact OD2-CZ 2.68Å; D397-R761 IonicContact OD2-NH1 3.17Å; D397-R761 PolarHBondContact OD2-NH1 3.49Å
398	V	92.8	Very high	84.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.			trans	-72.5	-48.8	-171.1	-174.3	0	0	0	0	111.2	L393 L396 L411 S412 L432 I768	L393-V398 HydrophobicContact CD2-CB 3.92Å; L393-V398 HydrophobicContact CD2-CG1 4.08Å; L393-V398 HydrophobicContact CD2-CG2 4.15Å; L393-V398 PolarHBondContact O-N 2.78Å; L396-V398 HydrophobicContact CB-CG2 3.72Å; L396-V398 PolarHBondContact O-N 2.86Å; V398-L411 HydrophobicContact CG1-CD2 4.26Å; V398-S412 WeakPolarHBondContact O-CB 3.34Å; V398-S412 PolarHBondContact O-N 3.28Å; V398-L432 HydrophobicContact CG1-CB 4.31Å; V398-L432 HydrophobicContact CG1-CD2 4.07Å; V398-I768 HydrophobicContact CG1-CD1 4.46Å; V398-I768 HydrophobicContact CG2-CD1 3.62Å
399	V	90.8	Very high	83.9	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	24%	0.236	C	C	.	.	S	Bend	trans	-134.4	154.6	-178.8	-67	0	0	0	0	109.9	L401 R429 L432	V399-L401 HydrophobicContact CG2-CD2 3.99Å; V399-L401 PolarHBondContact O-N 3.27Å; V399-R429 HydrophobicContact CG1-CG 4.48Å; V399-L432 HydrophobicContact CG1-CB 3.91Å; V399-L432 HydrophobicContact CG1-CD1 4.42Å
400	R	86	Confident	84	Confident	71 Å²	71	46.1 Å²	46.1	27%	0.268	23%	0.234	S	C	.	.			trans	-68.4	116.4	173	-163.2	171.6	-65.2	-96.6	-7.2	109.9	P406 Y408 D413 R429	R400-P406 VanDerWaalsContact NH1-C 3.31Å; R400-P406 VanDerWaalsContact NH1-CA 3.26Å; R400-P406 PolarHBondContact NH1-O 3.17Å; R400-Y408 PolarHBondContact NH1-O 3.06Å; R400-Y408 PolarHBondContact NH2-O 3.32Å; R400-D413 IonicContact CZ-OD2 2.68Å; R400-D413 IonicContact NH2-OD1 3.04Å; R400-D413 IonicContact NH2-OD2 2.95Å; R400-D413 PolarHBondContact NH2-OD2 2.54Å; R400-R429 PolarHBondContact O-NH1 3.21Å; R400-R429 VanDerWaalsContact O-NH1 3.08Å; R400-R429 PolarHBondContact O-NH2 3.26Å
401	L	82.3	Confident	84.2	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	24%	0.237	C	C	.	.			trans	-96.4	156.7	173.5	-56.6	173.9	0	0	0	110.2	A245 R394 V399 Y403 T404	A245-L401 HydrophobicContact CB-CD2 3.73Å; R394-L401 HydrophobicContact CB-CD1 3.71Å; R394-L401 HydrophobicContact CG-CD1 4.25Å; V399-L401 HydrophobicContact CG2-CD2 3.99Å; V399-L401 PolarHBondContact O-N 3.27Å; L401-Y403 HydrophobicContact CB-CD2 4.47Å; L401-Y403 HydrophobicContact CB-CE1 4.21Å; L401-Y403 HydrophobicContact CB-CE2 3.95Å; L401-Y403 HydrophobicContact CD1-CE2 3.95Å; L401-Y403 WeakPolarHBondContact CD1-OH 3.39Å; L401-Y403 PolarHBondContact O-N 2.8Å; L401-T404 WeakPolarHBondContact CA-OG1 3.12Å; L401-T404 WeakPolarHBondContact CB-OG1 3.02Å; L401-T404 PolarHBondContact N-OG1 3.14Å; L401-T404 VanDerWaalsContact O-CB 3.27Å; L401-T404 WeakPolarHBondContact O-CB 3.14Å; L401-T404 PolarHBondContact O-N 2.99Å; L401-T404 PolarHBondContact O-OG1 3.32Å
402	P	71.2	Confident	84.4	Confident	66 Å²	66	46.2 Å²	46.2	43%	0.429	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.5	-173.4	-28.4	35.9	0	0	0	116.7
403	Y	72.7	Confident	84.4	Confident	91 Å²	91	49.3 Å²	49.3	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	8.4	179.6	44.1	-92.8	0	0	0	112.8	S270 E390 R394 L401	S270-Y403 WeakPolarHBondContact O-CD1 3.26Å; E390-Y403 WeakPolarHBondContact CG-OH 3.42Å; E390-Y403 PolarHBondContact OE1-OH 2.83Å; R394-Y403 HydrophobicContact CG-CE2 4.4Å; L401-Y403 HydrophobicContact CB-CD2 4.47Å; L401-Y403 HydrophobicContact CB-CE1 4.21Å; L401-Y403 HydrophobicContact CB-CE2 3.95Å; L401-Y403 HydrophobicContact CD1-CE2 3.95Å; L401-Y403 WeakPolarHBondContact CD1-OH 3.39Å; L401-Y403 PolarHBondContact O-N 2.8Å
404	T	72.8	Confident	84.3	Confident	33 Å²	33	53.1 Å²	53.1	20%	0.202	27%	0.271	C	S	.	.	S	Bend	trans	-74.1	135.4	172	-44	0	0	0	0	107.8	L401	L401-T404 WeakPolarHBondContact CA-OG1 3.12Å; L401-T404 WeakPolarHBondContact CB-OG1 3.02Å; L401-T404 PolarHBondContact N-OG1 3.14Å; L401-T404 VanDerWaalsContact O-CB 3.27Å; L401-T404 WeakPolarHBondContact O-CB 3.14Å; L401-T404 PolarHBondContact O-N 2.99Å; L401-T404 PolarHBondContact O-OG1 3.32Å
405	D	74	Confident	84.6	Confident	74 Å²	74	49.6 Å²	49.6	40%	0.396	26%	0.258	S	S	.	.			trans	-64.5	128.6	177.8	169.4	-8.6	0	0	0	109.3	L407 Y408	D405-L407 PolarHBondContact O-N 2.84Å; D405-L407 WeakPolarHBondContact OD1-CB 3.22Å; D405-L407 PolarHBondContact OD1-N 2.75Å; D405-Y408 HydrophobicContact CB-CD2 3.48Å; D405-Y408 VanDerWaalsContact CB-CD2 3.48Å; D405-Y408 HydrophobicContact CB-CE2 3.8Å; D405-Y408 PolarHBondContact O-N 2.89Å; D405-Y408 WeakPolarHBondContact OD2-CE2 3.41Å
406	P	73.6	Confident	84.8	Confident	103 Å²	103	51 Å²	51	67%	0.669	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.7	-179	-27.4	34.3	0	0	0	114.8	R400 Y408	R400-P406 VanDerWaalsContact NH1-C 3.31Å; R400-P406 VanDerWaalsContact NH1-CA 3.26Å; R400-P406 PolarHBondContact NH1-O 3.17Å; P406-Y408 VanDerWaalsContact C-N 3.29Å; P406-Y408 PolarHBondContact O-N 2.92Å
407	L	76.6	Confident	85	Confident	156 Å²	156	53.6 Å²	53.6	82%	0.817	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.6	-176.9	-62.1	174.7	0	0	0	113.5	D405	D405-L407 PolarHBondContact O-N 2.84Å; D405-L407 WeakPolarHBondContact OD1-CB 3.22Å; D405-L407 PolarHBondContact OD1-N 2.75Å
408	Y	77.6	Confident	85.2	Confident	111 Å²	111	51.9 Å²	51.9	44%	0.435	27%	0.271	S	S	.	.			trans	-84.2	139.6	178.3	-76.1	-94	0	0	0	111.6	R400 D405 P406	R400-Y408 PolarHBondContact NH1-O 3.06Å; R400-Y408 PolarHBondContact NH2-O 3.32Å; D405-Y408 HydrophobicContact CB-CD2 3.48Å; D405-Y408 VanDerWaalsContact CB-CD2 3.48Å; D405-Y408 HydrophobicContact CB-CE2 3.8Å; D405-Y408 PolarHBondContact O-N 2.89Å; D405-Y408 WeakPolarHBondContact OD2-CE2 3.41Å; P406-Y408 VanDerWaalsContact C-N 3.29Å; P406-Y408 PolarHBondContact O-N 2.92Å
409	T	83.9	Confident	85.2	Confident	78 Å²	78	53.4 Å²	53.4	48%	0.479	28%	0.278	S	S	.	.			trans	-90.5	140.8	171.8	42.9	0	0	0	0	110.4	F13	F13-T409 WeakPolarHBondContact CE1-OG1 3.49Å; F13-T409 HydrophobicContact CZ-CG2 4.37Å; F13-T409 WeakPolarHBondContact CZ-OG1 3.18Å
410	T	91.1	Very high	85.1	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.025	28%	0.278	C	S	.	.			trans	-115.2	167.9	-179.4	61.7	0	0	0	0	111	D397 S412 D413 E414	D397-T410 CarbonylContact O-C 3.44Å; D397-T410 VanDerWaalsContact O-CA 3.25Å; D397-T410 WeakPolarHBondContact O-CA 3.46Å; D397-T410 WeakPolarHBondContact O-CB 3.49Å; T410-S412 PolarHBondContact O-N 2.86Å; T410-D413 PolarHBondContact N-OD2 3.09Å; T410-D413 PolarHBondContact O-N 2.93Å; T410-D413 VanDerWaalsContact OG1-CG 3.27Å; T410-D413 PolarHBondContact OG1-N 3.25Å; T410-D413 PolarHBondContact OG1-OD2 2.88Å; T410-E414 PolarHBondContact O-N 3.44Å
411	L	92.9	Very high	84.8	Confident	16 Å²	16	54.6 Å²	54.6	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-56.6	-35.6	171.8	-179.3	61.4	0	0	0	111.6	D397 V398 D413 E414 L415 L432 T765 I768 M769	D397-L411 PolarHBondContact O-N 2.84Å; V398-L411 HydrophobicContact CG1-CD2 4.26Å; L411-D413 VanDerWaalsContact C-N 3.33Å; L411-D413 PolarHBondContact O-N 2.82Å; L411-E414 PolarHBondContact O-N 2.82Å; L411-L415 HydrophobicContact CD1-CD1 3.86Å; L411-L415 HydrophobicContact CD1-CG 4.04Å; L411-L415 HydrophobicContact CD2-CD1 4.43Å; L411-L415 HydrophobicContact CG-CD1 3.93Å; L411-L415 HydrophobicContact CG-CG 4.4Å; L411-L415 PolarHBondContact O-N 3.01Å; L411-L432 HydrophobicContact CD2-CD2 3.84Å; L411-L432 HydrophobicContact CG-CD2 4.11Å; L411-T765 HydrophobicContact CD1-CG2 3.59Å; L411-T765 HydrophobicContact CD2-CG2 3.88Å; L411-T765 HydrophobicContact CG-CG2 4.22Å; L411-I768 HydrophobicContact CD2-CB 4.45Å; L411-I768 HydrophobicContact CD2-CG2 3.99Å; L411-M769 HydrophobicContact CD1-CG 4.2Å; L411-M769 HydrophobicContact CD1-SD 4.13Å; L411-M769 HydrophobicContact CD2-CG 4.4Å
412	S	92.8	Very high	85	Confident	19 Å²	19	55.3 Å²	55.3	13%	0.133	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-42.5	174.3	-168.4	0	0	0	0	112.5	V398 T410 E414 L415 D416	V398-S412 WeakPolarHBondContact O-CB 3.34Å; V398-S412 PolarHBondContact O-N 3.28Å; T410-S412 PolarHBondContact O-N 2.86Å; S412-E414 VanDerWaalsContact C-N 3.3Å; S412-E414 PolarHBondContact O-N 3.41Å; S412-L415 PolarHBondContact O-N 3.27Å; S412-D416 WeakPolarHBondContact O-CB 3.37Å; S412-D416 PolarHBondContact O-N 2.63Å
413	D	90.8	Very high	85.8	Confident	65 Å²	65	52.3 Å²	52.3	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-68.5	-33	-179.1	-57.1	-51.5	0	0	0	111.1	R400 T410 L411	R400-D413 IonicContact CZ-OD2 2.68Å; R400-D413 IonicContact NH2-OD1 3.04Å; R400-D413 IonicContact NH2-OD2 2.95Å; R400-D413 PolarHBondContact NH2-OD2 2.54Å; T410-D413 PolarHBondContact N-OD2 3.09Å; T410-D413 PolarHBondContact O-N 2.93Å; T410-D413 VanDerWaalsContact OG1-CG 3.27Å; T410-D413 PolarHBondContact OG1-N 3.25Å; T410-D413 PolarHBondContact OG1-OD2 2.88Å; L411-D413 VanDerWaalsContact C-N 3.33Å; L411-D413 PolarHBondContact O-N 2.82Å
414	E	90.7	Very high	86.7	Confident	80 Å²	80	48 Å²	48	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-74.3	-36.7	178.4	-173.7	65.5	-161.2	0	0	112.8	T410 L411 S412 Y708	T410-E414 PolarHBondContact O-N 3.44Å; L411-E414 PolarHBondContact O-N 2.82Å; S412-E414 VanDerWaalsContact C-N 3.3Å; S412-E414 PolarHBondContact O-N 3.41Å; E414-Y708 HydrophobicContact CG-CE2 3.96Å
415	L	94.1	Very high	87.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-89.9	-9.7	-180	-66.6	179.7	0	0	0	113.7	L411 S412 L417 L432 S704 F705 Y708 M769 L772	L411-L415 HydrophobicContact CD1-CD1 3.86Å; L411-L415 HydrophobicContact CD1-CG 4.04Å; L411-L415 HydrophobicContact CD2-CD1 4.43Å; L411-L415 HydrophobicContact CG-CD1 3.93Å; L411-L415 HydrophobicContact CG-CG 4.4Å; L411-L415 PolarHBondContact O-N 3.01Å; S412-L415 PolarHBondContact O-N 3.27Å; L415-L417 PolarHBondContact O-N 3.28Å; L415-L417 VanDerWaalsContact O-N 3.13Å; L415-L432 HydrophobicContact CD1-CD2 4.23Å; L415-S704 PolarHBondContact O-OG 2.9Å; L415-F705 HydrophobicContact CD1-CE1 4.42Å; L415-Y708 HydrophobicContact CD2-CD1 3.92Å; L415-Y708 HydrophobicContact CD2-CD2 3.82Å; L415-Y708 HydrophobicContact CD2-CE1 4.13Å; L415-Y708 HydrophobicContact CD2-CE2 4.04Å; L415-Y708 HydrophobicContact CD2-CG 3.76Å; L415-M769 HydrophobicContact CD1-CG 4.34Å; L415-M769 HydrophobicContact CD2-CE 4.19Å; L415-L772 HydrophobicContact CD1-CD1 4.01Å
416	D	93.5	Very high	88.5	Confident	44 Å²	44	48.1 Å²	48.1	24%	0.235	25%	0.249	C	C	.	.			trans	-81.9	85.3	177.9	-175.6	21.9	0	0	0	111.7	S412 C418 K425 L428	S412-D416 WeakPolarHBondContact O-CB 3.37Å; S412-D416 PolarHBondContact O-N 2.63Å; D416-C418 VanDerWaalsContact OD1-CB 3.26Å; D416-C418 WeakPolarHBondContact OD1-CB 3.39Å; D416-C418 PolarHBondContact OD1-N 3.35Å; D416-C418 VanDerWaalsContact OD1-N 3.11Å; D416-K425 WeakPolarHBondContact OD2-CD 3.41Å; D416-K425 WeakPolarHBondContact OD2-CE 3.34Å; D416-K425 IonicContact OD2-NZ 3.36Å; D416-K425 PolarHBondContact OD2-NZ 3.25Å; D416-L428 HydrophobicContact CB-CD2 3.78Å
417	L	94.2	Very high	89.4	Confident	59 Å²	59	44.8 Å²	44.8	31%	0.309	23%	0.226	S	C	.	.			trans	-108.5	24.4	163.6	-53.8	175.7	0	0	0	110.3	L415 S704 Q707	L415-L417 PolarHBondContact O-N 3.28Å; L415-L417 VanDerWaalsContact O-N 3.13Å; L417-S704 VanDerWaalsContact CA-OG 3.32Å; L417-S704 WeakPolarHBondContact CA-OG 3.4Å; L417-S704 WeakPolarHBondContact CB-OG 3.36Å; L417-S704 PolarHBondContact N-OG 2.94Å; L417-Q707 HydrophobicContact CB-CB 4.43Å; L417-Q707 HydrophobicContact CD1-CB 3.73Å; L417-Q707 PolarHBondContact O-OE1 3.17Å
418	C	94.4	Very high	90.3	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.081	19%	0.187	C	C	.	.			trans	-64.9	139	178.8	-63.1	0	0	0	0	110.1	D416 G424 K425 D700 S704	D416-C418 VanDerWaalsContact OD1-CB 3.26Å; D416-C418 WeakPolarHBondContact OD1-CB 3.39Å; D416-C418 PolarHBondContact OD1-N 3.35Å; D416-C418 VanDerWaalsContact OD1-N 3.11Å; C418-G424 VanDerWaalsContact SG-C 3.59Å; C418-K425 HydrophobicContact CB-CG 3.79Å; C418-D700 WeakPolarHBondContact CB-OD2 3.35Å; C418-S704 PolarHBondContact N-OG 2.83Å
419	L	92.3	Very high	91	Very high	31 Å²	31	33.5 Å²	33.5	16%	0.162	17%	0.171	C	C	.	.			trans	-103.3	-28.1	-170.3	-63.1	178.4	0	0	0	113.1	C463 L466 Q467 D700	L419-C463 HydrophobicContact CD1-CB 3.45Å; L419-C463 VanDerWaalsContact CD1-CB 3.45Å; L419-C463 WeakPolarHBondContact CD1-SG 3.46Å; L419-L466 HydrophobicContact CB-CB 3.84Å; L419-L466 HydrophobicContact CD1-CB 4.44Å; L419-L466 HydrophobicContact CD1-CD1 4.45Å; L419-Q467 HydrophobicContact CB-CG 4.04Å; L419-Q467 HydrophobicContact CD2-CG 4.18Å; L419-Q467 WeakPolarHBondContact O-CA 3.25Å; L419-D700 PolarHBondContact N-OD1 3.08Å; L419-D700 PolarHBondContact N-OD2 3.24Å
420	T	90.1	Very high	91.3	Very high	2 Å²	2	33 Å²	33	1%	0.012	16%	0.162	C	C	.	.	S	Bend	trans	-66.2	150.6	168.7	67.3	0	0	0	0	109.2	F422 L423 G424 L466 I696 D700	T420-F422 VanDerWaalsContact C-N 3.33Å; T420-F422 PolarHBondContact O-N 3.03Å; T420-L423 WeakPolarHBondContact OG1-CB 3.13Å; T420-L423 PolarHBondContact OG1-N 3.28Å; T420-G424 PolarHBondContact OG1-N 3.33Å; T420-L466 HydrophobicContact CG2-CB 4.25Å; T420-L466 HydrophobicContact CG2-CD2 4.02Å; T420-I696 HydrophobicContact CG2-CG2 3.94Å; T420-D700 VanDerWaalsContact CB-OD2 3.25Å; T420-D700 WeakPolarHBondContact CB-OD2 3.47Å; T420-D700 HydrophobicContact CG2-CB 4.16Å; T420-D700 WeakPolarHBondContact CG2-OD2 3.36Å; T420-D700 PolarHBondContact N-OD2 2.84Å; T420-D700 PolarHBondContact OG1-OD2 2.86Å
421	L	79.8	Confident	91.5	Very high	97 Å²	97	33.6 Å²	33.6	51%	0.508	16%	0.164	S	C	.	.	S	Bend	trans	-54	-50.5	-173.7	-170.6	66.7	0	0	0	111.8
422	F	85.2	Confident	91.6	Very high	20 Å²	20	32.8 Å²	32.8	9%	0.088	16%	0.16	C	C	.	.	S	Bend	trans	-140.9	-17.1	-177.4	-54.4	-50.7	0	0	0	115.7	E213 A216 T420 K425 R426 D471	E213-F422 HydrophobicContact CB-CE2 3.93Å; E213-F422 HydrophobicContact CB-CZ 4.35Å; E213-F422 HydrophobicContact CG-CD2 4.47Å; E213-F422 HydrophobicContact CG-CE2 3.8Å; E213-F422 HydrophobicContact CG-CZ 3.93Å; E213-F422 WeakPolarHBondContact OE2-CD2 3.43Å; E213-F422 WeakPolarHBondContact OE2-CE2 3.36Å; A216-F422 VanDerWaalsContact CA-CD1 3.4Å; A216-F422 HydrophobicContact CB-CB 4.43Å; A216-F422 HydrophobicContact CB-CD1 3.66Å; A216-F422 HydrophobicContact CB-CE1 4.43Å; A216-F422 HydrophobicContact CB-CG 4.45Å; T420-F422 VanDerWaalsContact C-N 3.33Å; T420-F422 PolarHBondContact O-N 3.03Å; F422-K425 PolarHBondContact O-N 3.01Å; F422-R426 WeakPolarHBondContact O-CG 3.47Å; F422-R426 PolarHBondContact O-N 2.82Å; F422-D471 HydrophobicContact CD2-CB 4.14Å; F422-D471 WeakPolarHBondContact CD2-OD2 3.34Å
423	L	89.2	Confident	91.6	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-55	-172.5	-66.7	176	0	0	0	112.1	T420 K425 R426 L427 I469 L472 E473 V693 I696	T420-L423 WeakPolarHBondContact OG1-CB 3.13Å; T420-L423 PolarHBondContact OG1-N 3.28Å; L423-K425 VanDerWaalsContact C-N 3.33Å; L423-K425 PolarHBondContact O-N 2.93Å; L423-R426 PolarHBondContact O-N 2.84Å; L423-L427 PolarHBondContact O-N 3.44Å; L423-I469 HydrophobicContact CD1-CG2 4.41Å; L423-L472 HydrophobicContact CD1-CB 4.29Å; L423-L472 HydrophobicContact CD1-CG 4.44Å; L423-E473 HydrophobicContact CD2-CB 3.68Å; L423-V693 HydrophobicContact CD1-CG1 4.32Å; L423-V693 HydrophobicContact CD2-CG1 3.69Å; L423-I696 HydrophobicContact CD1-CG2 4.45Å
424	G	91.8	Very high	91.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-42.1	177.5	0	0	0	0	0	111.9	C418 T420 R426 L427 L428 D700 V701	C418-G424 VanDerWaalsContact SG-C 3.59Å; T420-G424 PolarHBondContact OG1-N 3.33Å; G424-R426 PolarHBondContact O-N 3.2Å; G424-L427 PolarHBondContact O-N 2.66Å; G424-L427 VanDerWaalsContact O-N 3.17Å; G424-L428 WeakPolarHBondContact O-CB 3.26Å; G424-L428 PolarHBondContact O-N 3.18Å; G424-D700 WeakPolarHBondContact CA-OD2 3.5Å; G424-V701 WeakPolarHBondContact O-CG2 3.43Å
425	K	92.4	Very high	91.9	Very high	69 Å²	69	26.1 Å²	26.1	30%	0.3	13%	0.126	S	C	.	.	H	α-helix	trans	-60.5	-45.2	-179.5	-61.1	-169.5	174.5	-163.2	0	113.1	A216 D416 C418 F422 L423 L427 L428 R429	A216-K425 HydrophobicContact CB-CB 3.59Å; A216-K425 HydrophobicContact CB-CD 3.77Å; A216-K425 HydrophobicContact CB-CG 4.29Å; D416-K425 WeakPolarHBondContact OD2-CD 3.41Å; D416-K425 WeakPolarHBondContact OD2-CE 3.34Å; D416-K425 IonicContact OD2-NZ 3.36Å; D416-K425 PolarHBondContact OD2-NZ 3.25Å; C418-K425 HydrophobicContact CB-CG 3.79Å; F422-K425 PolarHBondContact O-N 3.01Å; L423-K425 VanDerWaalsContact C-N 3.33Å; L423-K425 PolarHBondContact O-N 2.93Å; K425-L427 VanDerWaalsContact C-N 3.33Å; K425-L427 PolarHBondContact O-N 3.37Å; K425-L428 PolarHBondContact O-N 3.32Å; K425-R429 PolarHBondContact O-N 2.96Å
426	R	91.4	Very high	91.9	Very high	41 Å²	41	26.5 Å²	26.5	16%	0.155	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-42.8	175.7	-73.5	-167.2	-65.1	-100.1	7	111.4	A216 F422 L423 G424 F430 D471 E473	A216-R426 WeakPolarHBondContact O-CG 3.28Å; F422-R426 WeakPolarHBondContact O-CG 3.47Å; F422-R426 PolarHBondContact O-N 2.82Å; L423-R426 PolarHBondContact O-N 2.84Å; G424-R426 PolarHBondContact O-N 3.2Å; R426-F430 PolarHBondContact O-N 2.9Å; R426-D471 IonicContact CZ-OD1 3.02Å; R426-D471 IonicContact CZ-OD2 3.56Å; R426-D471 IonicContact NH1-OD2 3.57Å; R426-D471 PolarHBondContact NH1-OD2 3.23Å; R426-D471 VanDerWaalsContact NH2-CG 3.34Å; R426-D471 IonicContact NH2-OD1 2.71Å; R426-D471 PolarHBondContact NH2-OD1 2.66Å; R426-D471 IonicContact NH2-OD2 3.73Å; R426-D471 PolarHBondContact NH2-OD2 2.65Å; R426-E473 IonicContact CZ-OE2 2.67Å; R426-E473 IonicContact NE-OE2 3.01Å; R426-E473 PolarHBondContact NE-OE2 3.24Å; R426-E473 IonicContact NH2-OE2 3.21Å; R426-E473 PolarHBondContact NH2-OE2 3.39Å
427	L	93.2	Very high	91.9	Very high	34 Å²	34	26.8 Å²	26.8	18%	0.178	13%	0.126	C	C	.	.	H	α-helix	trans	-69.2	-39.5	178.2	-174.9	63.9	0	0	0	112.5	L423 G424 K425 F430 W431 S697 K698 V701	L423-L427 PolarHBondContact O-N 3.44Å; G424-L427 PolarHBondContact O-N 2.66Å; G424-L427 VanDerWaalsContact O-N 3.17Å; K425-L427 VanDerWaalsContact C-N 3.33Å; K425-L427 PolarHBondContact O-N 3.37Å; L427-F430 HydrophobicContact CD1-CD1 4.4Å; L427-F430 WeakPolarHBondContact O-CB 3.32Å; L427-F430 PolarHBondContact O-N 3.46Å; L427-F430 VanDerWaalsContact O-N 3.16Å; L427-W431 HydrophobicContact CD2-CZ2 4.14Å; L427-W431 PolarHBondContact O-N 3.2Å; L427-S697 VanDerWaalsContact CD2-C 3.49Å; L427-K698 HydrophobicContact CD2-CB 4.27Å; L427-K698 HydrophobicContact CD2-CG 3.74Å; L427-V701 HydrophobicContact CB-CG2 3.95Å; L427-V701 HydrophobicContact CD2-CG2 4.05Å; L427-V701 HydrophobicContact CG-CG2 4.09Å
428	L	94.8	Very high	91.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-47.2	176.2	174.4	59.5	0	0	0	110.6	D416 G424 K425 F430 W431 L432 V701 F705	D416-L428 HydrophobicContact CB-CD2 3.78Å; G424-L428 WeakPolarHBondContact O-CB 3.26Å; G424-L428 PolarHBondContact O-N 3.18Å; K425-L428 PolarHBondContact O-N 3.32Å; L428-F430 VanDerWaalsContact C-N 3.28Å; L428-F430 PolarHBondContact O-N 3.24Å; L428-W431 PolarHBondContact O-N 2.94Å; L428-L432 HydrophobicContact CD1-CD1 3.91Å; L428-L432 HydrophobicContact CD1-CG 4.16Å; L428-L432 HydrophobicContact CG-CD1 3.86Å; L428-L432 WeakPolarHBondContact O-CB 3.48Å; L428-L432 WeakPolarHBondContact O-CG 3.47Å; L428-L432 PolarHBondContact O-N 3.15Å; L428-V701 HydrophobicContact CB-CG1 4.41Å; L428-V701 HydrophobicContact CB-CG2 4.03Å; L428-V701 HydrophobicContact CD1-CG1 4.12Å; L428-F705 HydrophobicContact CD1-CE1 3.72Å; L428-F705 HydrophobicContact CD1-CZ 4.03Å
429	R	92.3	Very high	91.6	Very high	28 Å²	28	29 Å²	29	11%	0.106	14%	0.136	C	C	.	.	H	α-helix	trans	-56	-45.4	174.4	-175.6	-178.4	177.4	93.4	13.1	111.2	D217 A245 V399 R400 K425 L432 C433	D217-R429 IonicContact OD1-NH1 3.57Å; A245-R429 PolarHBondContact O-NH2 3.25Å; V399-R429 HydrophobicContact CG1-CG 4.48Å; R400-R429 PolarHBondContact O-NH1 3.21Å; R400-R429 VanDerWaalsContact O-NH1 3.08Å; R400-R429 PolarHBondContact O-NH2 3.26Å; K425-R429 PolarHBondContact O-N 2.96Å; R429-L432 PolarHBondContact O-N 3.48Å; R429-C433 PolarHBondContact O-N 3.26Å; R429-C433 PolarHBondContact O-SG 3.13Å
430	F	91	Very high	91.5	Very high	67 Å²	67	33.5 Å²	33.5	29%	0.294	16%	0.157	S	C	.	.	H	α-helix	trans	-62.3	-43.7	177.9	178.2	-104.3	0	0	0	112.5	F247 R426 L427 L428 C433 N434	F247-F430 HydrophobicContact CZ-CE2 4.45Å; R426-F430 PolarHBondContact O-N 2.9Å; L427-F430 HydrophobicContact CD1-CD1 4.4Å; L427-F430 WeakPolarHBondContact O-CB 3.32Å; L427-F430 PolarHBondContact O-N 3.46Å; L427-F430 VanDerWaalsContact O-N 3.16Å; L428-F430 VanDerWaalsContact C-N 3.28Å; L428-F430 PolarHBondContact O-N 3.24Å; F430-C433 PolarHBondContact O-N 3.02Å; F430-N434 WeakPolarHBondContact CE2-ND2 3.45Å; F430-N434 HydrophobicContact CZ-CB 4.49Å; F430-N434 WeakPolarHBondContact O-CB 3.26Å; F430-N434 PolarHBondContact O-N 3.17Å; F430-N434 PolarHBondContact O-ND2 3.18Å; F430-N434 VanDerWaalsContact O-ND2 3.08Å
431	W	94.7	Very high	91.5	Very high	17 Å²	17	34.5 Å²	34.5	6%	0.064	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-39	176.9	-75.8	16.8	0	0	0	111.9	L427 L428 N434 P435 R445 K698 V701 L702 F705 L772	L427-W431 HydrophobicContact CD2-CZ2 4.14Å; L427-W431 PolarHBondContact O-N 3.2Å; L428-W431 PolarHBondContact O-N 2.94Å; W431-N434 CarbonylContact O-C 3.55Å; W431-N434 PolarHBondContact O-N 3Å; W431-P435 VanDerWaalsContact O-N 3.08Å; W431-R445 VanDerWaalsContact CE3-CZ 3.47Å; W431-R445 VanDerWaalsContact CZ3-CZ 3.47Å; W431-K698 HydrophobicContact CZ2-CG 4.27Å; W431-V701 HydrophobicContact CD2-CG1 4.2Å; W431-V701 HydrophobicContact CE3-CB 4.46Å; W431-V701 HydrophobicContact CE3-CG1 3.49Å; W431-V701 VanDerWaalsContact CE3-CG1 3.49Å; W431-V701 HydrophobicContact CH2-CG1 4.37Å; W431-V701 HydrophobicContact CZ3-CB 4.27Å; W431-V701 HydrophobicContact CZ3-CG1 3.6Å; W431-L702 HydrophobicContact CH2-CD2 4.18Å; W431-L702 HydrophobicContact CH2-CG 4.32Å; W431-L702 HydrophobicContact CZ3-CD2 4.11Å; W431-F705 AromaticContact CE3-CE2 3.87Å; W431-F705 HydrophobicContact CE3-CE2 3.87Å; W431-F705 HydrophobicContact CE3-CZ 4.13Å; W431-F705 AromaticContact CZ3-CE2 3.92Å; W431-F705 HydrophobicContact CZ3-CE2 3.92Å; W431-L772 VanDerWaalsContact C-CD2 3.46Å; W431-L772 HydrophobicContact CB-CD2 3.97Å; W431-L772 WeakPolarHBondContact O-CD2 3.42Å
432	L	94.9	Very high	92.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-41.4	176.1	-81.8	163	0	0	0	112.5	M388 V398 V399 L411 L415 L428 R429 N434 L772	M388-L432 WeakPolarHBondContact CE-O 3.29Å; V398-L432 HydrophobicContact CG1-CB 4.31Å; V398-L432 HydrophobicContact CG1-CD2 4.07Å; V399-L432 HydrophobicContact CG1-CB 3.91Å; V399-L432 HydrophobicContact CG1-CD1 4.42Å; L411-L432 HydrophobicContact CD2-CD2 3.84Å; L411-L432 HydrophobicContact CG-CD2 4.11Å; L415-L432 HydrophobicContact CD1-CD2 4.23Å; L428-L432 HydrophobicContact CD1-CD1 3.91Å; L428-L432 HydrophobicContact CD1-CG 4.16Å; L428-L432 HydrophobicContact CG-CD1 3.86Å; L428-L432 WeakPolarHBondContact O-CB 3.48Å; L428-L432 WeakPolarHBondContact O-CG 3.47Å; L428-L432 PolarHBondContact O-N 3.15Å; R429-L432 PolarHBondContact O-N 3.48Å; L432-N434 VanDerWaalsContact C-N 3.31Å; L432-L772 HydrophobicContact CD2-CD1 3.67Å; L432-L772 HydrophobicContact CG-CD1 4.36Å
433	C	92.3	Very high	92.6	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-73.8	-24.1	175.1	-65.5	0	0	0	0	112.7	T246 R429 F430	T246-C433 HydrophobicContact CG2-CB 3.97Å; R429-C433 PolarHBondContact O-N 3.26Å; R429-C433 PolarHBondContact O-SG 3.13Å; F430-C433 PolarHBondContact O-N 3.02Å
434	N	92.3	Very high	92.8	Very high	19 Å²	19	33.7 Å²	33.7	10%	0.102	16%	0.162	C	C	.	.	S	Bend	trans	-131.3	69	-177.7	-56	-87.9	0	0	0	111.9	Y385 F430 W431 L432	Y385-N434 HydrophobicContact CD1-CB 3.82Å; Y385-N434 WeakPolarHBondContact CD1-O 3.5Å; Y385-N434 HydrophobicContact CD2-CB 4.48Å; Y385-N434 HydrophobicContact CE1-CB 4.16Å; Y385-N434 HydrophobicContact CG-CB 4Å; F430-N434 WeakPolarHBondContact CE2-ND2 3.45Å; F430-N434 HydrophobicContact CZ-CB 4.49Å; F430-N434 WeakPolarHBondContact O-CB 3.26Å; F430-N434 PolarHBondContact O-N 3.17Å; F430-N434 PolarHBondContact O-ND2 3.18Å; F430-N434 VanDerWaalsContact O-ND2 3.08Å; W431-N434 CarbonylContact O-C 3.55Å; W431-N434 PolarHBondContact O-N 3Å; L432-N434 VanDerWaalsContact C-N 3.31Å
435	P	96	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.166	C	C	.	.			trans	-61.7	151	175.2	-21.5	34.8	0	0	0	110.1	Y385 M386 M388 W431 I768 H771 L772	Y385-P435 CarbonylContact C-O 3.53Å; Y385-P435 WeakPolarHBondContact CA-O 3.16Å; Y385-P435 WeakPolarHBondContact CB-O 3.43Å; M386-P435 HydrophobicContact CB-CB 4.35Å; M386-P435 HydrophobicContact CE-CB 3.98Å; M386-P435 HydrophobicContact CE-CG 3.82Å; M386-P435 PolarHBondContact N-O 3.43Å; M388-P435 HydrophobicContact CE-CG 3.41Å; M388-P435 VanDerWaalsContact CE-CG 3.41Å; M388-P435 HydrophobicContact SD-CG 4.35Å; W431-P435 VanDerWaalsContact O-N 3.08Å; P435-I768 HydrophobicContact CG-CG2 4.03Å; P435-H771 HydrophobicContact CB-CB 3.67Å; P435-L772 HydrophobicContact CB-CD2 4.27Å; P435-L772 HydrophobicContact CG-CD2 4.35Å
436	L	94.7	Very high	93.1	Very high	8 Å²	8	32 Å²	32	4%	0.042	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-70.7	150.4	-176.4	-65.5	173.2	0	0	0	110.9	Y385 A441 I442 H771	Y385-L436 HydrophobicContact CD1-CD2 4.12Å; Y385-L436 HydrophobicContact CE1-CD2 3.91Å; L436-A441 HydrophobicContact CD1-CB 3.74Å; L436-I442 HydrophobicContact CB-CD1 4.07Å; L436-I442 HydrophobicContact CB-CG1 3.58Å; L436-I442 HydrophobicContact CD1-CG1 4.02Å; L436-I442 HydrophobicContact CG-CG1 4.46Å; L436-H771 PolarHBondContact N-O 3.26Å; L436-H771 PolarHBondContact O-ND1 3.48Å
437	Y	92.4	Very high	93.2	Very high	50 Å²	50	35.1 Å²	35.1	20%	0.196	17%	0.169	C	C	.	.			trans	-105.8	-26.5	164.3	-176.7	-111	0	0	0	111.9	K383 K384 I439 P785 V786 D787	K383-Y437 HydrophobicContact CB-CD1 3.88Å; K383-Y437 HydrophobicContact CB-CE1 4.35Å; K383-Y437 HydrophobicContact CD-CD1 4.36Å; K383-Y437 HydrophobicContact CG-CD1 4.15Å; K383-Y437 WeakPolarHBondContact O-CD1 3.05Å; K384-Y437 PolarHBondContact O-N 2.86Å; Y437-I439 PolarHBondContact O-N 3.46Å; Y437-P785 HydrophobicContact CD2-CB 4.2Å; Y437-P785 HydrophobicContact CE2-CB 3.62Å; Y437-V786 VanDerWaalsContact CD2-O 3.24Å; Y437-V786 WeakPolarHBondContact CD2-O 3.25Å; Y437-D787 HydrophobicContact CD2-CB 4.19Å; Y437-D787 HydrophobicContact CE2-CB 3.62Å
438	D	90.6	Very high	93.1	Very high	52 Å²	52	33.5 Å²	33.5	28%	0.278	16%	0.16	S	C	.	.			trans	-66.7	112	175.5	176.5	16.6	0	0	0	111.4	Q440 A441 I442	D438-Q440 VanDerWaalsContact C-N 3.27Å; D438-Q440 PolarHBondContact O-N 3.11Å; D438-Q440 PolarHBondContact OD1-N 2.98Å; D438-A441 HydrophobicContact CB-CB 4.15Å; D438-A441 PolarHBondContact O-N 3.41Å; D438-A441 WeakPolarHBondContact OD2-CB 3.26Å; D438-A441 PolarHBondContact OD2-N 3.44Å; D438-I442 VanDerWaalsContact O-CG1 3.29Å; D438-I442 WeakPolarHBondContact O-CG1 3.31Å; D438-I442 PolarHBondContact O-N 2.88Å
439	I	91.1	Very high	93.1	Very high	65 Å²	65	33.4 Å²	33.4	33%	0.333	16%	0.16	S	C	.	.	H	α-helix	trans	-60.8	-38.1	-178.8	-52.9	174.6	0	0	0	111	Y437 I442 V443 F721 P785	Y437-I439 PolarHBondContact O-N 3.46Å; I439-I442 PolarHBondContact O-N 3.04Å; I439-V443 HydrophobicContact CG2-CG2 4.17Å; I439-V443 WeakPolarHBondContact O-CB 3.33Å; I439-V443 WeakPolarHBondContact O-CG2 3.43Å; I439-V443 PolarHBondContact O-N 2.94Å; I439-F721 HydrophobicContact CG2-CB 3.92Å; I439-F721 HydrophobicContact CG2-CG 4.4Å; I439-P785 HydrophobicContact CD1-CG 3.41Å; I439-P785 VanDerWaalsContact CD1-CG 3.41Å; I439-P785 HydrophobicContact CG1-CG 3.7Å
440	Q	91	Very high	93.1	Very high	127 Å²	127	33.2 Å²	33.2	59%	0.593	16%	0.161	S	C	*	.	H	α-helix	trans	-64.3	-49.8	-177.5	-178.1	175.4	-16.1	0	0	109.9	D438 I442 V443 E444	D438-Q440 VanDerWaalsContact C-N 3.27Å; D438-Q440 PolarHBondContact O-N 3.11Å; D438-Q440 PolarHBondContact OD1-N 2.98Å; Q440-I442 VanDerWaalsContact C-N 3.29Å; Q440-I442 PolarHBondContact O-N 3.48Å; Q440-V443 PolarHBondContact O-N 3.28Å; Q440-E444 HydrophobicContact CG-CG 4.49Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.49Å; Q440-E444 PolarHBondContact NE2-OE1 2.96Å; Q440-E444 WeakPolarHBondContact O-CG 3.47Å; Q440-E444 PolarHBondContact O-N 3.33Å
441	A	91.2	Very high	93	Very high	22 Å²	22	32.4 Å²	32.4	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-59.6	-37.4	175.6	0	0	0	0	0	112.9	L436 D438 R445	L436-A441 HydrophobicContact CD1-CB 3.74Å; D438-A441 HydrophobicContact CB-CB 4.15Å; D438-A441 PolarHBondContact O-N 3.41Å; D438-A441 WeakPolarHBondContact OD2-CB 3.26Å; D438-A441 PolarHBondContact OD2-N 3.44Å; A441-R445 WeakPolarHBondContact O-CG 3.24Å; A441-R445 PolarHBondContact O-N 2.68Å; A441-R445 VanDerWaalsContact O-N 3.1Å
442	I	94.2	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-50.1	174.8	-66.7	163.8	0	0	0	110.8	L436 D438 I439 Q440 E444 R445 Q446 F721 A770	L436-I442 HydrophobicContact CB-CD1 4.07Å; L436-I442 HydrophobicContact CB-CG1 3.58Å; L436-I442 HydrophobicContact CD1-CG1 4.02Å; L436-I442 HydrophobicContact CG-CG1 4.46Å; D438-I442 VanDerWaalsContact O-CG1 3.29Å; D438-I442 WeakPolarHBondContact O-CG1 3.31Å; D438-I442 PolarHBondContact O-N 2.88Å; I439-I442 PolarHBondContact O-N 3.04Å; Q440-I442 VanDerWaalsContact C-N 3.29Å; Q440-I442 PolarHBondContact O-N 3.48Å; I442-E444 VanDerWaalsContact C-N 3.3Å; I442-E444 PolarHBondContact O-N 3.47Å; I442-R445 WeakPolarHBondContact O-CB 3.5Å; I442-R445 PolarHBondContact O-N 2.98Å; I442-Q446 HydrophobicContact CG2-CG 4.4Å; I442-Q446 WeakPolarHBondContact O-CG 3.42Å; I442-Q446 PolarHBondContact O-N 3.32Å; I442-F721 HydrophobicContact CD1-CE1 4.43Å; I442-F721 HydrophobicContact CD1-CE2 4.22Å; I442-F721 HydrophobicContact CD1-CZ 3.97Å; I442-F721 HydrophobicContact CG2-CD2 4.21Å; I442-F721 HydrophobicContact CG2-CE2 3.62Å; I442-F721 HydrophobicContact CG2-CZ 4.33Å; I442-A770 WeakPolarHBondContact CG2-O 3.37Å
443	V	93.7	Very high	92.6	Very high	46 Å²	46	34 Å²	34	28%	0.279	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-36.9	-178.5	169.3	0	0	0	0	111.3	I439 Q440 Q446 K447	I439-V443 HydrophobicContact CG2-CG2 4.17Å; I439-V443 WeakPolarHBondContact O-CB 3.33Å; I439-V443 WeakPolarHBondContact O-CG2 3.43Å; I439-V443 PolarHBondContact O-N 2.94Å; Q440-V443 PolarHBondContact O-N 3.28Å; V443-Q446 PolarHBondContact O-N 3.29Å; V443-K447 HydrophobicContact CG1-CD 4.22Å; V443-K447 HydrophobicContact CG1-CG 4.47Å; V443-K447 WeakPolarHBondContact O-CB 3.35Å; V443-K447 WeakPolarHBondContact O-CG 3.47Å; V443-K447 PolarHBondContact O-N 3.06Å
444	E	92.8	Very high	92.4	Very high	57 Å²	57	40.8 Å²	40.8	27%	0.266	20%	0.198	S	C	.	.	H	α-helix	trans	-62.4	-45.2	174.1	-72.8	172.3	-176.3	0	0	111.4	Q440 I442 Q446 K447 A448 L535 L539	Q440-E444 HydrophobicContact CG-CG 4.49Å; Q440-E444 WeakPolarHBondContact CG-OE1 3.49Å; Q440-E444 PolarHBondContact NE2-OE1 2.96Å; Q440-E444 WeakPolarHBondContact O-CG 3.47Å; Q440-E444 PolarHBondContact O-N 3.33Å; I442-E444 VanDerWaalsContact C-N 3.3Å; I442-E444 PolarHBondContact O-N 3.47Å; E444-Q446 PolarHBondContact O-N 3.46Å; E444-K447 PolarHBondContact O-N 3.41Å; E444-A448 PolarHBondContact O-N 3.44Å; E444-L535 HydrophobicContact CB-CD1 4.29Å; E444-L535 HydrophobicContact CG-CD1 4.2Å; E444-L539 HydrophobicContact CB-CD1 4.32Å; E444-L539 HydrophobicContact CB-CD2 4.08Å
445	R	94.9	Very high	92.1	Very high	25 Å²	25	42.8 Å²	42.8	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-45.8	173.1	-72.8	-176.5	-178.9	179.1	0.3	112.2	W431 A441 I442 K447 A448 V449 L702 L772	W431-R445 VanDerWaalsContact CE3-CZ 3.47Å; W431-R445 VanDerWaalsContact CZ3-CZ 3.47Å; A441-R445 WeakPolarHBondContact O-CG 3.24Å; A441-R445 PolarHBondContact O-N 2.68Å; A441-R445 VanDerWaalsContact O-N 3.1Å; I442-R445 WeakPolarHBondContact O-CB 3.5Å; I442-R445 PolarHBondContact O-N 2.98Å; R445-K447 VanDerWaalsContact C-N 3.33Å; R445-K447 PolarHBondContact O-N 3.16Å; R445-A448 PolarHBondContact O-N 3.03Å; R445-V449 WeakPolarHBondContact O-CG2 3.47Å; R445-V449 PolarHBondContact O-N 2.96Å; R445-L702 HydrophobicContact CB-CD2 4.23Å; R445-L702 HydrophobicContact CG-CD2 4.21Å; R445-L772 WeakPolarHBondContact CD-O 3.5Å; R445-L772 PolarHBondContact NH1-O 3.4Å
446	Q	94.6	Very high	91.4	Very high	9 Å²	9	45.4 Å²	45.4	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-43.6	178.7	-70.7	175.7	-13.2	0	0	112	I442 V443 E444 V449 D450 K718 P719 G773	I442-Q446 HydrophobicContact CG2-CG 4.4Å; I442-Q446 WeakPolarHBondContact O-CG 3.42Å; I442-Q446 PolarHBondContact O-N 3.32Å; V443-Q446 PolarHBondContact O-N 3.29Å; E444-Q446 PolarHBondContact O-N 3.46Å; Q446-V449 PolarHBondContact O-N 3.01Å; Q446-D450 PolarHBondContact O-N 3.18Å; Q446-K718 HydrophobicContact CB-CD 3.93Å; Q446-K718 HydrophobicContact CB-CG 4.3Å; Q446-K718 HydrophobicContact CG-CG 4.36Å; Q446-P719 PolarHBondContact NE2-O 2.82Å; Q446-P719 PolarHBondContact OE1-O 3.48Å; Q446-G773 WeakPolarHBondContact CG-O 3.43Å
447	K	93.4	Very high	91	Very high	106 Å²	106	53.3 Å²	53.3	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-40.8	176.1	-75.2	173.1	-178.9	175.8	0	111.6	V443 E444 R445 V449 D450 D451 L535	V443-K447 HydrophobicContact CG1-CD 4.22Å; V443-K447 HydrophobicContact CG1-CG 4.47Å; V443-K447 WeakPolarHBondContact O-CB 3.35Å; V443-K447 WeakPolarHBondContact O-CG 3.47Å; V443-K447 PolarHBondContact O-N 3.06Å; E444-K447 PolarHBondContact O-N 3.41Å; R445-K447 VanDerWaalsContact C-N 3.33Å; R445-K447 PolarHBondContact O-N 3.16Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 3.43Å; K447-D450 WeakPolarHBondContact O-CB 3.45Å; K447-D450 PolarHBondContact O-N 2.84Å; K447-D451 PolarHBondContact O-N 3Å; K447-L535 HydrophobicContact CB-CD2 3.3Å; K447-L535 HydrophobicContact CD-CD2 4.09Å; K447-L535 HydrophobicContact CG-CD2 4.37Å
448	A	92	Very high	90.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-39.3	175.4	0	0	0	0	0	112.2	E444 R445 D451 L452 L536 L539 L702	E444-A448 PolarHBondContact O-N 3.44Å; R445-A448 PolarHBondContact O-N 3.03Å; A448-D451 PolarHBondContact O-N 3.39Å; A448-L452 VanDerWaalsContact O-CG 3.31Å; A448-L452 WeakPolarHBondContact O-CG 3.06Å; A448-L452 PolarHBondContact O-N 3.49Å; A448-L536 HydrophobicContact CB-CD1 4.18Å; A448-L539 HydrophobicContact CB-CD1 3.61Å; A448-L702 HydrophobicContact CB-CD1 4.31Å
449	V	94	Very high	90.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-44.1	172.7	172.9	0	0	0	0	110.8	R445 Q446 K447 D451 L452 I453 L702 F705 A706	R445-V449 WeakPolarHBondContact O-CG2 3.47Å; R445-V449 PolarHBondContact O-N 2.96Å; Q446-V449 PolarHBondContact O-N 3.01Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 3.43Å; V449-D451 VanDerWaalsContact C-N 3.35Å; V449-D451 PolarHBondContact O-N 2.92Å; V449-L452 PolarHBondContact O-N 3.35Å; V449-I453 HydrophobicContact CG1-CD1 3.81Å; V449-I453 HydrophobicContact CG1-CG1 4.41Å; V449-I453 VanDerWaalsContact O-CG1 3.26Å; V449-I453 WeakPolarHBondContact O-CG1 3.18Å; V449-I453 PolarHBondContact O-N 2.86Å; V449-L702 HydrophobicContact CG2-CD2 4.1Å; V449-F705 HydrophobicContact CG1-CB 4.44Å; V449-F705 HydrophobicContact CG2-CB 3.91Å; V449-F705 HydrophobicContact CG2-CD2 4.42Å; V449-A706 HydrophobicContact CG1-CB 4.18Å
450	D	92.4	Very high	89.9	Confident	24 Å²	24	50.2 Å²	50.2	13%	0.128	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-43.9	175.1	-76.3	-17.3	0	0	0	112.3	Q446 K447 L452 I453 K454 K718 H775	Q446-D450 PolarHBondContact O-N 3.18Å; K447-D450 WeakPolarHBondContact O-CB 3.45Å; K447-D450 PolarHBondContact O-N 2.84Å; D450-L452 VanDerWaalsContact C-N 3.33Å; D450-I453 PolarHBondContact O-N 3.41Å; D450-K454 VanDerWaalsContact O-CG 3.26Å; D450-K454 WeakPolarHBondContact O-CG 3.25Å; D450-K454 PolarHBondContact O-N 3.26Å; D450-K718 WeakPolarHBondContact OD2-CD 3.49Å; D450-K718 IonicContact OD2-NZ 3.45Å; D450-K718 PolarHBondContact OD2-NZ 3.23Å; D450-H775 IonicContact OD1-CE1 2.9Å; D450-H775 PolarHBondContact OD1-CE1 3.02Å; D450-H775 IonicContact OD1-NE2 2.65Å; D450-H775 PolarHBondContact OD1-NE2 3.09Å
451	D	89.5	Confident	89.7	Confident	49 Å²	49	49.1 Å²	49.1	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-44.1	178	-76	-4.1	0	0	0	110.8	K447 A448 V449 K454 L455 S533	K447-D451 PolarHBondContact O-N 3Å; A448-D451 PolarHBondContact O-N 3.39Å; V449-D451 VanDerWaalsContact C-N 3.35Å; V449-D451 PolarHBondContact O-N 2.92Å; D451-K454 PolarHBondContact O-N 2.73Å; D451-L455 WeakPolarHBondContact O-CG 3.2Å; D451-L455 PolarHBondContact O-N 2.65Å; D451-S533 PolarHBondContact OD2-OG 3.33Å
452	L	90.4	Very high	89.5	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-46.7	175.9	-72.7	171.9	0	0	0	111.6	A448 V449 D450 K454 L455 F458 L459 L536 L702 Q703 A706	A448-L452 VanDerWaalsContact O-CG 3.31Å; A448-L452 WeakPolarHBondContact O-CG 3.06Å; A448-L452 PolarHBondContact O-N 3.49Å; V449-L452 PolarHBondContact O-N 3.35Å; D450-L452 VanDerWaalsContact C-N 3.33Å; L452-K454 VanDerWaalsContact C-N 3.26Å; L452-K454 PolarHBondContact O-N 2.62Å; L452-L455 CarbonylContact O-C 3.59Å; L452-L455 PolarHBondContact O-N 3.02Å; L452-F458 HydrophobicContact CD2-CD1 4.15Å; L452-F458 HydrophobicContact CD2-CE1 3.66Å; L452-L459 HydrophobicContact CB-CD1 4.43Å; L452-L459 HydrophobicContact CB-CD2 4.1Å; L452-L459 HydrophobicContact CB-CG 4.36Å; L452-L459 HydrophobicContact CD2-CD2 4.07Å; L452-L459 WeakPolarHBondContact O-CD1 3.41Å; L452-L459 WeakPolarHBondContact O-CG 3.31Å; L452-L536 HydrophobicContact CD2-CD2 3.96Å; L452-L536 HydrophobicContact CG-CD2 4.48Å; L452-L702 HydrophobicContact CD1-CB 4Å; L452-Q703 HydrophobicContact CD1-CG 3.96Å; L452-Q703 HydrophobicContact CD2-CG 4.31Å; L452-A706 HydrophobicContact CB-CB 3.81Å; L452-A706 HydrophobicContact CD1-CB 4.36Å
453	I	90.6	Very high	89.2	Confident	49 Å²	49	48.8 Å²	48.8	25%	0.251	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-39.2	178.7	-68.5	165.8	0	0	0	111.4	V449 D450 L455 A706 A709 R710	V449-I453 HydrophobicContact CG1-CD1 3.81Å; V449-I453 HydrophobicContact CG1-CG1 4.41Å; V449-I453 VanDerWaalsContact O-CG1 3.26Å; V449-I453 WeakPolarHBondContact O-CG1 3.18Å; V449-I453 PolarHBondContact O-N 2.86Å; D450-I453 PolarHBondContact O-N 3.41Å; I453-L455 PolarHBondContact O-N 3.16Å; I453-A706 HydrophobicContact CG1-CB 3.92Å; I453-A709 HydrophobicContact CD1-CB 3.68Å; I453-R710 HydrophobicContact CG1-CG 4.35Å; I453-R710 HydrophobicContact CG2-CG 4.22Å
454	K	88.6	Confident	88.9	Confident	147 Å²	147	51 Å²	51	64%	0.639	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.1	179.5	-70.4	167.7	-171	166.9	0	113.9	D450 D451 L452 P456	D450-K454 VanDerWaalsContact O-CG 3.26Å; D450-K454 WeakPolarHBondContact O-CG 3.25Å; D450-K454 PolarHBondContact O-N 3.26Å; D451-K454 PolarHBondContact O-N 2.73Å; L452-K454 VanDerWaalsContact C-N 3.26Å; L452-K454 PolarHBondContact O-N 2.62Å; K454-P456 VanDerWaalsContact O-CD 3.23Å; K454-P456 WeakPolarHBondContact O-CD 3.4Å
455	L	85	Confident	88.9	Confident	60 Å²	60	53.4 Å²	53.4	31%	0.314	26%	0.257	S	S	.	.			trans	-118.1	66.2	-177.6	-61.2	172.4	0	0	0	110.8	D451 L452 I453 E457 F458 L459 R532	D451-L455 WeakPolarHBondContact O-CG 3.2Å; D451-L455 PolarHBondContact O-N 2.65Å; L452-L455 CarbonylContact O-C 3.59Å; L452-L455 PolarHBondContact O-N 3.02Å; I453-L455 PolarHBondContact O-N 3.16Å; L455-E457 PolarHBondContact O-N 2.86Å; L455-F458 HydrophobicContact CB-CB 3.88Å; L455-F458 HydrophobicContact CB-CD1 4.35Å; L455-F458 WeakPolarHBondContact O-CB 3.25Å; L455-F458 PolarHBondContact O-N 3.18Å; L455-L459 PolarHBondContact O-N 3.24Å; L455-R532 HydrophobicContact CD1-CB 4.34Å
456	P	83.1	Confident	88.8	Confident	56 Å²	56	52.2 Å²	52.2	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-41.4	-172.8	24.8	-34.4	0	0	0	113.3	K454 F458 L459 D460	K454-P456 VanDerWaalsContact O-CD 3.23Å; K454-P456 WeakPolarHBondContact O-CD 3.4Å; P456-F458 VanDerWaalsContact C-N 3.28Å; P456-F458 PolarHBondContact O-N 2.96Å; P456-L459 WeakPolarHBondContact O-CB 3.49Å; P456-L459 PolarHBondContact O-N 3.48Å; P456-D460 VanDerWaalsContact O-CG 3.26Å; P456-D460 PolarHBondContact O-N 3.03Å
457	E	85.5	Confident	88.7	Confident	173 Å²	173	57.7 Å²	57.7	81%	0.808	28%	0.278	S	S	*	.	H	α-helix	trans	-62.4	-37.1	177.2	-63.6	179.5	177.7	0	0	112.2	L455 Y461	L455-E457 PolarHBondContact O-N 2.86Å; E457-Y461 WeakPolarHBondContact O-CB 3.35Å; E457-Y461 PolarHBondContact O-N 3.45Å
458	F	83.4	Confident	88.7	Confident	13 Å²	13	55.4 Å²	55.4	6%	0.057	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-42.1	176.8	168.5	-98.1	0	0	0	111.3	L452 L455 P456 Y461 T462 I528 I529	L452-F458 HydrophobicContact CD2-CD1 4.15Å; L452-F458 HydrophobicContact CD2-CE1 3.66Å; L455-F458 HydrophobicContact CB-CB 3.88Å; L455-F458 HydrophobicContact CB-CD1 4.35Å; L455-F458 WeakPolarHBondContact O-CB 3.25Å; L455-F458 PolarHBondContact O-N 3.18Å; P456-F458 VanDerWaalsContact C-N 3.28Å; P456-F458 PolarHBondContact O-N 2.96Å; F458-Y461 PolarHBondContact O-N 3.06Å; F458-T462 HydrophobicContact CD2-CG2 4.09Å; F458-T462 HydrophobicContact CE1-CG2 4.09Å; F458-T462 HydrophobicContact CE2-CG2 3.41Å; F458-T462 VanDerWaalsContact CE2-CG2 3.41Å; F458-T462 HydrophobicContact CZ-CG2 3.37Å; F458-T462 WeakPolarHBondContact O-CB 3.44Å; F458-T462 WeakPolarHBondContact O-CG2 3.3Å; F458-T462 PolarHBondContact O-N 3.25Å; F458-T462 PolarHBondContact O-OG1 3.43Å; F458-I528 HydrophobicContact CD2-CG2 3.55Å; F458-I528 HydrophobicContact CE2-CB 4.29Å; F458-I528 HydrophobicContact CE2-CG2 3.5Å; F458-I529 HydrophobicContact CE1-CG1 4.23Å; F458-I529 HydrophobicContact CE2-CG1 3.72Å; F458-I529 HydrophobicContact CZ-CB 4.47Å; F458-I529 HydrophobicContact CZ-CD1 3.94Å; F458-I529 HydrophobicContact CZ-CG1 3.22Å
459	L	83.7	Confident	88.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-55.1	172.7	-86.8	175.6	0	0	0	110.3	L452 L455 P456 Y461 T462 C463 Q703 A706	L452-L459 HydrophobicContact CB-CD1 4.43Å; L452-L459 HydrophobicContact CB-CD2 4.1Å; L452-L459 HydrophobicContact CB-CG 4.36Å; L452-L459 HydrophobicContact CD2-CD2 4.07Å; L452-L459 WeakPolarHBondContact O-CD1 3.41Å; L452-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.24Å; P456-L459 WeakPolarHBondContact O-CB 3.49Å; P456-L459 PolarHBondContact O-N 3.48Å; L459-Y461 VanDerWaalsContact C-N 3.29Å; L459-Y461 PolarHBondContact O-N 2.98Å; L459-T462 PolarHBondContact O-N 3.4Å; L459-T462 VanDerWaalsContact O-N 3.15Å; L459-T462 PolarHBondContact O-OG1 3.09Å; L459-C463 PolarHBondContact O-N 3.38Å; L459-C463 PolarHBondContact O-SG 3.24Å; L459-Q703 HydrophobicContact CD2-CB 4.32Å; L459-Q703 HydrophobicContact CD2-CG 3.76Å; L459-A706 HydrophobicContact CD1-CB 4.37Å
460	D	84.8	Confident	88.7	Confident	90 Å²	90	57.1 Å²	57.1	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-39.9	-175.9	-61.5	-13.1	0	0	0	111.4	P456 C463 R710	P456-D460 VanDerWaalsContact O-CG 3.26Å; P456-D460 PolarHBondContact O-N 3.03Å; D460-C463 WeakPolarHBondContact O-CB 3.18Å; D460-C463 PolarHBondContact O-N 2.89Å; D460-R710 IonicContact OD1-NH1 2.66Å
461	Y	85.9	Confident	88.7	Confident	104 Å²	104	56.6 Å²	56.6	41%	0.408	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-48.1	174.9	-179.6	-86.3	0	0	0	112.9	E457 F458 L459 C463 R465 I528	E457-Y461 WeakPolarHBondContact O-CB 3.35Å; E457-Y461 PolarHBondContact O-N 3.45Å; F458-Y461 PolarHBondContact O-N 3.06Å; L459-Y461 VanDerWaalsContact C-N 3.29Å; L459-Y461 PolarHBondContact O-N 2.98Å; Y461-C463 VanDerWaalsContact C-N 3.28Å; Y461-C463 PolarHBondContact O-N 3.28Å; Y461-R465 HydrophobicContact CE1-CG 4.06Å; Y461-I528 HydrophobicContact CD1-CD1 3.9Å; Y461-I528 HydrophobicContact CE1-CD1 3.17Å
462	T	86.1	Confident	89	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-70.2	-27.9	-179.3	45.3	0	0	0	0	112.1	F458 L459 T464 R465 L466 I525 Q703	F458-T462 HydrophobicContact CD2-CG2 4.09Å; F458-T462 HydrophobicContact CE1-CG2 4.09Å; F458-T462 HydrophobicContact CE2-CG2 3.41Å; F458-T462 VanDerWaalsContact CE2-CG2 3.41Å; F458-T462 HydrophobicContact CZ-CG2 3.37Å; F458-T462 WeakPolarHBondContact O-CB 3.44Å; F458-T462 WeakPolarHBondContact O-CG2 3.3Å; F458-T462 PolarHBondContact O-N 3.25Å; F458-T462 PolarHBondContact O-OG1 3.43Å; L459-T462 PolarHBondContact O-N 3.4Å; L459-T462 VanDerWaalsContact O-N 3.15Å; L459-T462 PolarHBondContact O-OG1 3.09Å; T462-T464 PolarHBondContact O-N 3.22Å; T462-R465 PolarHBondContact O-N 2.96Å; T462-R465 VanDerWaalsContact O-N 3.15Å; T462-L466 WeakPolarHBondContact O-CG 3.19Å; T462-L466 PolarHBondContact O-N 3.47Å; T462-I525 HydrophobicContact CG2-CG2 4.14Å; T462-Q703 PolarHBondContact OG1-NE2 2.9Å
463	C	88.8	Confident	89	Confident	15 Å²	15	57.7 Å²	57.7	10%	0.101	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-51.2	176.8	-69.7	0	0	0	0	112	L419 L459 D460 Y461 R465 L466 Q467 Q707	L419-C463 HydrophobicContact CD1-CB 3.45Å; L419-C463 VanDerWaalsContact CD1-CB 3.45Å; L419-C463 WeakPolarHBondContact CD1-SG 3.46Å; L459-C463 PolarHBondContact O-N 3.38Å; L459-C463 PolarHBondContact O-SG 3.24Å; D460-C463 WeakPolarHBondContact O-CB 3.18Å; D460-C463 PolarHBondContact O-N 2.89Å; Y461-C463 VanDerWaalsContact C-N 3.28Å; Y461-C463 PolarHBondContact O-N 3.28Å; C463-R465 PolarHBondContact O-N 3.31Å; C463-L466 PolarHBondContact O-N 2.98Å; C463-Q467 WeakPolarHBondContact O-CG 3.03Å; C463-Q467 PolarHBondContact O-N 2.96Å; C463-Q467 VanDerWaalsContact O-N 3.07Å; C463-Q707 PolarHBondContact SG-NE2 3.5Å
464	T	88.3	Confident	89	Confident	93 Å²	93	57.2 Å²	57.2	57%	0.571	29%	0.286	S	S	*	.	H	α-helix	trans	-61.5	-31.8	178.9	-48.6	0	0	0	0	112	T462 A468	T462-T464 PolarHBondContact O-N 3.22Å; T464-A468 PolarHBondContact O-N 3.12Å
465	R	92.1	Very high	89.3	Confident	107 Å²	107	50.9 Å²	50.9	40%	0.404	26%	0.258	S	S	.	.	H	α-helix	trans	-77.6	-42.2	179.1	-65.2	-62.3	-173.3	-164.6	-0	112.4	Y461 T462 C463 Q467 A468 I469 T521 I525	Y461-R465 HydrophobicContact CE1-CG 4.06Å; T462-R465 PolarHBondContact O-N 2.96Å; T462-R465 VanDerWaalsContact O-N 3.15Å; C463-R465 PolarHBondContact O-N 3.31Å; R465-Q467 VanDerWaalsContact C-N 3.3Å; R465-Q467 PolarHBondContact O-N 3.5Å; R465-A468 WeakPolarHBondContact O-CB 3.25Å; R465-A468 PolarHBondContact O-N 2.86Å; R465-A468 VanDerWaalsContact O-N 3.07Å; R465-I469 PolarHBondContact O-N 3.01Å; R465-T521 HydrophobicContact CB-CG2 3.87Å; R465-T521 HydrophobicContact CG-CG2 4.49Å; R465-I525 HydrophobicContact CB-CD1 3.86Å; R465-I525 HydrophobicContact CB-CG1 3.93Å
466	L	93.2	Very high	89.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-38.9	175	-73.1	-178.5	0	0	0	111.9	L419 T420 T462 C463 A468 I469 I525 I696 D700	L419-L466 HydrophobicContact CB-CB 3.84Å; L419-L466 HydrophobicContact CD1-CB 4.44Å; L419-L466 HydrophobicContact CD1-CD1 4.45Å; T420-L466 HydrophobicContact CG2-CB 4.25Å; T420-L466 HydrophobicContact CG2-CD2 4.02Å; T462-L466 WeakPolarHBondContact O-CG 3.19Å; T462-L466 PolarHBondContact O-N 3.47Å; C463-L466 PolarHBondContact O-N 2.98Å; L466-A468 PolarHBondContact O-N 3.3Å; L466-I469 HydrophobicContact CD2-CD1 4.01Å; L466-I469 WeakPolarHBondContact O-CB 3.31Å; L466-I469 PolarHBondContact O-N 3.17Å; L466-I525 HydrophobicContact CD2-CD1 3.76Å; L466-I525 HydrophobicContact CG-CD1 4.19Å; L466-I696 HydrophobicContact CD2-CG2 3.93Å; L466-D700 HydrophobicContact CD1-CB 4.29Å
467	Q	92.8	Very high	90.2	Very high	124 Å²	124	47.8 Å²	47.8	58%	0.579	24%	0.238	S	C	*	.	H	α-helix	trans	-60.2	-28.5	173.6	-72.9	176.6	-15.6	0	0	113.3	L419 C463 R465 I469	L419-Q467 HydrophobicContact CB-CG 4.04Å; L419-Q467 HydrophobicContact CD2-CG 4.18Å; L419-Q467 WeakPolarHBondContact O-CA 3.25Å; C463-Q467 WeakPolarHBondContact O-CG 3.03Å; C463-Q467 PolarHBondContact O-N 2.96Å; C463-Q467 VanDerWaalsContact O-N 3.07Å; R465-Q467 VanDerWaalsContact C-N 3.3Å; R465-Q467 PolarHBondContact O-N 3.5Å; Q467-I469 VanDerWaalsContact C-N 3.34Å
468	A	91.9	Very high	90.6	Very high	58 Å²	58	40.7 Å²	40.7	48%	0.479	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.8	178	0	0	0	0	0	113.2	T464 R465 L466 P470	T464-A468 PolarHBondContact O-N 3.12Å; R465-A468 WeakPolarHBondContact O-CB 3.25Å; R465-A468 PolarHBondContact O-N 2.86Å; R465-A468 VanDerWaalsContact O-N 3.07Å; L466-A468 PolarHBondContact O-N 3.3Å; A468-P470 WeakPolarHBondContact O-CD 3.49Å
469	I	94.2	Very high	91.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.201	C	C	.	.			trans	-78.8	119.9	178.9	-67.3	179.6	0	0	0	109	L423 R465 L466 Q467 L472 T521 A522 I525 I696	L423-I469 HydrophobicContact CD1-CG2 4.41Å; R465-I469 PolarHBondContact O-N 3.01Å; L466-I469 HydrophobicContact CD2-CD1 4.01Å; L466-I469 WeakPolarHBondContact O-CB 3.31Å; L466-I469 PolarHBondContact O-N 3.17Å; Q467-I469 VanDerWaalsContact C-N 3.34Å; I469-L472 HydrophobicContact CG2-CD1 3.65Å; I469-L472 HydrophobicContact CG2-CD2 4.34Å; I469-L472 HydrophobicContact CG2-CG 3.72Å; I469-T521 HydrophobicContact CD1-CG2 4.28Å; I469-T521 HydrophobicContact CG1-CG2 3.91Å; I469-A522 HydrophobicContact CD1-CB 4.4Å; I469-I525 HydrophobicContact CD1-CD1 3.89Å; I469-I696 HydrophobicContact CD1-CD1 4.35Å; I469-I696 HydrophobicContact CD1-CG1 4.44Å; I469-I696 HydrophobicContact CD1-CG2 3.96Å
470	P	93	Very high	91.7	Very high	34 Å²	34	41.1 Å²	41.1	22%	0.221	21%	0.206	C	C	.	.			trans	-72	179.6	174.6	33	-36.4	0	0	0	110.9	A468 L472 L475 A514	A468-P470 WeakPolarHBondContact O-CD 3.49Å; P470-L472 HydrophobicContact CG-CD2 3.92Å; P470-L472 PolarHBondContact O-N 3.35Å; P470-L475 HydrophobicContact CB-CD1 3.82Å; P470-L475 HydrophobicContact CG-CD1 3.66Å; P470-A514 HydrophobicContact CG-CB 4.46Å
471	D	92.2	Very high	92.1	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.07	19%	0.188	C	C	.	.			trans	-70	83.3	170	-167.8	-21.4	0	0	0	110.9	F422 R426 E473 R474 L475	F422-D471 HydrophobicContact CD2-CB 4.14Å; F422-D471 WeakPolarHBondContact CD2-OD2 3.34Å; R426-D471 IonicContact CZ-OD1 3.02Å; R426-D471 IonicContact CZ-OD2 3.56Å; R426-D471 IonicContact NH1-OD2 3.57Å; R426-D471 PolarHBondContact NH1-OD2 3.23Å; R426-D471 VanDerWaalsContact NH2-CG 3.34Å; R426-D471 IonicContact NH2-OD1 2.71Å; R426-D471 PolarHBondContact NH2-OD1 2.66Å; R426-D471 IonicContact NH2-OD2 3.73Å; R426-D471 PolarHBondContact NH2-OD2 2.65Å; D471-E473 PolarHBondContact O-N 3.26Å; D471-E473 PolarHBondContact OD1-N 3.44Å; D471-R474 HydrophobicContact CB-CB 4.37Å; D471-R474 PolarHBondContact O-N 3.47Å; D471-R474 PolarHBondContact OD1-N 2.89Å; D471-R474 WeakPolarHBondContact OD2-CD 3.29Å; D471-R474 WeakPolarHBondContact OD2-CG 3.33Å; D471-R474 IonicContact OD2-NE 2.73Å; D471-L475 WeakPolarHBondContact O-CG 3.44Å; D471-L475 PolarHBondContact O-N 3.38Å
472	L	94.6	Very high	92.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-36.9	-178.2	-62.7	177.7	0	0	0	112	L423 I469 P470 R474 L475 L476 L515 F519 V693	L423-L472 HydrophobicContact CD1-CB 4.29Å; L423-L472 HydrophobicContact CD1-CG 4.44Å; I469-L472 HydrophobicContact CG2-CD1 3.65Å; I469-L472 HydrophobicContact CG2-CD2 4.34Å; I469-L472 HydrophobicContact CG2-CG 3.72Å; P470-L472 HydrophobicContact CG-CD2 3.92Å; P470-L472 PolarHBondContact O-N 3.35Å; L472-R474 VanDerWaalsContact C-N 3.35Å; L472-R474 PolarHBondContact O-N 3.05Å; L472-L475 PolarHBondContact O-N 2.63Å; L472-L476 WeakPolarHBondContact O-CB 2.96Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.48Å; L472-L476 PolarHBondContact O-N 2.81Å; L472-L515 HydrophobicContact CB-CD1 4.38Å; L472-L515 HydrophobicContact CD2-CD1 3.76Å; L472-F519 HydrophobicContact CB-CZ 4.4Å; L472-F519 HydrophobicContact CD1-CD1 4.27Å; L472-F519 HydrophobicContact CD1-CE1 4.05Å; L472-F519 HydrophobicContact CD1-CZ 4.45Å; L472-V693 HydrophobicContact CB-CG2 3.71Å; L472-V693 HydrophobicContact CD1-CG2 4.39Å
473	E	91.9	Very high	92.7	Very high	74 Å²	74	34 Å²	34	35%	0.346	18%	0.177	S	C	.	.	H	α-helix	trans	-61.3	-46.1	-178.8	-172.9	174.3	-152.2	0	0	111.1	L423 R426 D471 L476 Q477 Y690 V693	L423-E473 HydrophobicContact CD2-CB 3.68Å; R426-E473 IonicContact CZ-OE2 2.67Å; R426-E473 IonicContact NE-OE2 3.01Å; R426-E473 PolarHBondContact NE-OE2 3.24Å; R426-E473 IonicContact NH2-OE2 3.21Å; R426-E473 PolarHBondContact NH2-OE2 3.39Å; D471-E473 PolarHBondContact O-N 3.26Å; D471-E473 PolarHBondContact OD1-N 3.44Å; E473-L476 WeakPolarHBondContact O-CB 3.15Å; E473-Q477 PolarHBondContact O-N 3.04Å; E473-Y690 HydrophobicContact CG-CE1 4.35Å; E473-V693 HydrophobicContact CB-CG1 3.93Å
474	R	90.5	Very high	92.7	Very high	39 Å²	39	35 Å²	35	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-73.9	-40.2	178.5	-69	-173.3	173.9	-145.7	-1.5	112.4	Y206 E213 D471 L472 L476 Q477 K478	Y206-R474 VanDerWaalsContact CZ-NH1 3.28Å; E213-R474 IonicContact OE1-CZ 3.91Å; E213-R474 IonicContact OE1-NE 3.65Å; E213-R474 IonicContact OE1-NH1 3.55Å; E213-R474 PolarHBondContact OE1-NH1 3.02Å; E213-R474 IonicContact OE1-NH2 3.79Å; E213-R474 PolarHBondContact OE1-NH2 3.22Å; E213-R474 IonicContact OE2-CZ 3.71Å; E213-R474 IonicContact OE2-NE 3.99Å; E213-R474 PolarHBondContact OE2-NE 3.14Å; E213-R474 VanDerWaalsContact OE2-NE 3.08Å; E213-R474 IonicContact OE2-NH1 3.17Å; E213-R474 PolarHBondContact OE2-NH1 3.28Å; E213-R474 IonicContact OE2-NH2 2.94Å; E213-R474 PolarHBondContact OE2-NH2 3.31Å; E213-R474 VanDerWaalsContact OE2-NH2 3.15Å; D471-R474 HydrophobicContact CB-CB 4.37Å; D471-R474 PolarHBondContact O-N 3.47Å; D471-R474 PolarHBondContact OD1-N 2.89Å; D471-R474 WeakPolarHBondContact OD2-CD 3.29Å; D471-R474 WeakPolarHBondContact OD2-CG 3.33Å; D471-R474 IonicContact OD2-NE 2.73Å; L472-R474 VanDerWaalsContact C-N 3.35Å; L472-R474 PolarHBondContact O-N 3.05Å; R474-L476 VanDerWaalsContact C-N 3.28Å; R474-L476 PolarHBondContact O-N 3.36Å; R474-Q477 WeakPolarHBondContact O-CB 3.43Å; R474-Q477 PolarHBondContact O-N 2.72Å; R474-Q477 VanDerWaalsContact O-N 3.11Å; R474-K478 WeakPolarHBondContact O-CG 2.77Å; R474-K478 PolarHBondContact O-N 3.27Å
475	L	94.4	Very high	92.4	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-40.5	174.8	-74	178.9	0	0	0	111.3	P470 D471 L472 Q477 K478 M479 D511 A514 L515	P470-L475 HydrophobicContact CB-CD1 3.82Å; P470-L475 HydrophobicContact CG-CD1 3.66Å; D471-L475 WeakPolarHBondContact O-CG 3.44Å; D471-L475 PolarHBondContact O-N 3.38Å; L472-L475 PolarHBondContact O-N 2.63Å; L475-Q477 VanDerWaalsContact C-N 3.34Å; L475-Q477 PolarHBondContact O-N 3.31Å; L475-K478 HydrophobicContact CD2-CD 4.33Å; L475-K478 PolarHBondContact O-N 3.08Å; L475-M479 WeakPolarHBondContact O-CG 3.46Å; L475-M479 PolarHBondContact O-N 2.9Å; L475-D511 HydrophobicContact CD2-CB 3.73Å; L475-A514 HydrophobicContact CD1-CB 4.26Å; L475-L515 HydrophobicContact CB-CB 4.33Å; L475-L515 HydrophobicContact CB-CD1 3.72Å; L475-L515 HydrophobicContact CB-CD2 4.41Å; L475-L515 HydrophobicContact CB-CG 4.39Å; L475-L515 HydrophobicContact CD1-CB 4.28Å; L475-L515 HydrophobicContact CD1-CD1 4.42Å
476	L	94.8	Very high	91.6	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-57.1	-46.9	171.2	-78.4	171.6	0	0	0	111.7	L472 E473 R474 K478 M479 H480 L515 F519 F682 W689 Y690 V693	L472-L476 WeakPolarHBondContact O-CB 2.96Å; L472-L476 VanDerWaalsContact O-CG 3.26Å; L472-L476 WeakPolarHBondContact O-CG 3.48Å; L472-L476 PolarHBondContact O-N 2.81Å; E473-L476 WeakPolarHBondContact O-CB 3.15Å; R474-L476 VanDerWaalsContact C-N 3.28Å; R474-L476 PolarHBondContact O-N 3.36Å; L476-K478 VanDerWaalsContact C-N 3.35Å; L476-K478 PolarHBondContact O-N 2.8Å; L476-M479 PolarHBondContact O-N 3.43Å; L476-H480 WeakPolarHBondContact O-CB 3.3Å; L476-H480 PolarHBondContact O-N 3.06Å; L476-L515 HydrophobicContact CD2-CD1 4.5Å; L476-L515 HydrophobicContact CD2-CD2 4.17Å; L476-L515 HydrophobicContact CG-CD1 4.25Å; L476-F519 HydrophobicContact CD1-CZ 3.98Å; L476-F519 HydrophobicContact CD2-CE2 4.06Å; L476-F519 HydrophobicContact CD2-CZ 4.09Å; L476-F519 HydrophobicContact CG-CE2 4.37Å; L476-F519 HydrophobicContact CG-CZ 4.1Å; L476-F682 HydrophobicContact CD2-CD1 4.5Å; L476-F682 HydrophobicContact CD2-CE1 3.73Å; L476-W689 HydrophobicContact CD1-CB 3.83Å; L476-W689 HydrophobicContact CD2-CB 3.7Å; L476-W689 HydrophobicContact CD2-CG 3.98Å; L476-W689 HydrophobicContact CG-CB 4.4Å; L476-Y690 HydrophobicContact CB-CE1 4.04Å; L476-Y690 HydrophobicContact CD1-CD1 3.55Å; L476-Y690 HydrophobicContact CD1-CD2 4.47Å; L476-Y690 HydrophobicContact CD1-CE1 3.44Å; L476-Y690 VanDerWaalsContact CD1-CE1 3.44Å; L476-Y690 HydrophobicContact CD1-CE2 4.37Å; L476-Y690 HydrophobicContact CD1-CG 4.1Å; L476-Y690 HydrophobicContact CG-CE1 4.42Å; L476-V693 HydrophobicContact CD1-CG2 3.95Å
477	Q	92.5	Very high	90.4	Very high	46 Å²	46	33.4 Å²	33.4	22%	0.215	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-40.6	177.7	-175.8	-178	19.2	0	0	112.3	M205 L359 E473 R474 L475 H480 S481	M205-Q477 HydrophobicContact CE-CG 4.01Å; M205-Q477 PolarHBondContact SD-NE2 2.67Å; L359-Q477 HydrophobicContact CD1-CG 4.42Å; E473-Q477 PolarHBondContact O-N 3.04Å; R474-Q477 WeakPolarHBondContact O-CB 3.43Å; R474-Q477 PolarHBondContact O-N 2.72Å; R474-Q477 VanDerWaalsContact O-N 3.11Å; L475-Q477 VanDerWaalsContact C-N 3.34Å; L475-Q477 PolarHBondContact O-N 3.31Å; Q477-H480 PolarHBondContact O-N 3.41Å; Q477-S481 WeakPolarHBondContact O-CB 3.43Å; Q477-S481 PolarHBondContact O-N 2.84Å; Q477-S481 PolarHBondContact O-OG 3.18Å
478	K	94	Very high	89.2	Confident	24 Å²	24	31.6 Å²	31.6	10%	0.104	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-45.5	174.5	-66.9	-172	-157.2	-165	0	111.2	Y206 R474 L475 L476 H480 S481 L482 D511	Y206-K478 WeakPolarHBondContact O-CD 2.8Å; Y206-K478 WeakPolarHBondContact O-CE 3.37Å; Y206-K478 PolarHBondContact O-NZ 2.95Å; R474-K478 WeakPolarHBondContact O-CG 2.77Å; R474-K478 PolarHBondContact O-N 3.27Å; L475-K478 HydrophobicContact CD2-CD 4.33Å; L475-K478 PolarHBondContact O-N 3.08Å; L476-K478 VanDerWaalsContact C-N 3.35Å; L476-K478 PolarHBondContact O-N 2.8Å; K478-H480 VanDerWaalsContact C-N 3.34Å; K478-S481 PolarHBondContact O-N 2.79Å; K478-L482 VanDerWaalsContact O-CG 3.3Å; K478-L482 WeakPolarHBondContact O-CG 3.49Å; K478-L482 PolarHBondContact O-N 2.73Å; K478-D511 WeakPolarHBondContact CD-OD2 3.13Å; K478-D511 IonicContact NZ-OD2 3.75Å; K478-D511 PolarHBondContact NZ-OD2 3.49Å
479	M	95.2	Very high	88.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-40.7	177.8	-66.1	-52.3	122.6	0	0	111.6	L475 L476 L482 A483 D511 F512 L515 F679	L475-M479 WeakPolarHBondContact O-CG 3.46Å; L475-M479 PolarHBondContact O-N 2.9Å; L476-M479 PolarHBondContact O-N 3.43Å; M479-L482 HydrophobicContact CE-CD1 4.32Å; M479-L482 PolarHBondContact O-N 3.5Å; M479-L482 HydrophobicContact SD-CD1 4.46Å; M479-A483 VanDerWaalsContact O-CB 3.29Å; M479-A483 WeakPolarHBondContact O-CB 3.08Å; M479-A483 PolarHBondContact O-N 2.64Å; M479-D511 HydrophobicContact CE-CB 3.7Å; M479-F512 HydrophobicContact CE-CB 4.2Å; M479-F512 HydrophobicContact CG-CD2 4.11Å; M479-F512 HydrophobicContact SD-CB 3.86Å; M479-F512 HydrophobicContact SD-CD2 3.71Å; M479-F512 HydrophobicContact SD-CG 4.2Å; M479-L515 HydrophobicContact CB-CD2 4.48Å; M479-L515 HydrophobicContact CG-CD2 3.63Å; M479-F679 HydrophobicContact SD-CD1 3.85Å; M479-F679 HydrophobicContact SD-CD2 4.16Å; M479-F679 HydrophobicContact SD-CE1 3.88Å; M479-F679 HydrophobicContact SD-CE2 4.15Å; M479-F679 HydrophobicContact SD-CG 4.01Å; M479-F679 HydrophobicContact SD-CZ 4.01Å
480	H	94	Very high	88	Confident	22 Å²	22	37.6 Å²	37.6	10%	0.102	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-49.8	174.7	175.7	71.3	0	0	0	111.7	D355 L359 L476 Q477 K478 L482 A483 I484 C683	D355-H480 PolarHBondContact O-CD2 2.9Å; L359-H480 HydrophobicContact CD2-CB 4.02Å; L359-H480 WeakPolarHBondContact CD2-CD2 3.46Å; L476-H480 WeakPolarHBondContact O-CB 3.3Å; L476-H480 PolarHBondContact O-N 3.06Å; Q477-H480 PolarHBondContact O-N 3.41Å; K478-H480 VanDerWaalsContact C-N 3.34Å; H480-L482 PolarHBondContact O-N 2.92Å; H480-A483 WeakPolarHBondContact O-CB 3.3Å; H480-A483 PolarHBondContact O-N 3.44Å; H480-I484 PolarHBondContact O-N 2.97Å; H480-I484 VanDerWaalsContact O-N 3.16Å; H480-C683 PolarHBondContact N-SG 3.31Å
481	S	92.8	Very high	87.8	Confident	13 Å²	13	37.2 Å²	37.2	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-34.3	178.1	-55.6	0	0	0	0	112.2	D355 Q477 K478 K485	D355-S481 WeakPolarHBondContact OD1-CA 3.22Å; D355-S481 VanDerWaalsContact OD1-CB 3.26Å; D355-S481 WeakPolarHBondContact OD1-CB 3.34Å; Q477-S481 WeakPolarHBondContact O-CB 3.43Å; Q477-S481 PolarHBondContact O-N 2.84Å; Q477-S481 PolarHBondContact O-OG 3.18Å; K478-S481 PolarHBondContact O-N 2.79Å; S481-K485 VanDerWaalsContact O-CD 3.28Å; S481-K485 WeakPolarHBondContact O-CD 3.48Å; S481-K485 WeakPolarHBondContact O-CE 3.31Å; S481-K485 VanDerWaalsContact O-CG 3.31Å; S481-K485 WeakPolarHBondContact O-CG 3.39Å
482	L	92.6	Very high	87.8	Confident	25 Å²	25	37.5 Å²	37.5	13%	0.131	22%	0.223	C	C	.	.	H	α-helix	trans	-75.1	-39.8	175	-69	168.7	0	0	0	111.8	Y208 K478 M479 H480 I484 K485 K508 R676 F679	Y208-L482 HydrophobicContact CD1-CD2 3.78Å; Y208-L482 HydrophobicContact CE1-CD2 3.63Å; K478-L482 VanDerWaalsContact O-CG 3.3Å; K478-L482 WeakPolarHBondContact O-CG 3.49Å; K478-L482 PolarHBondContact O-N 2.73Å; M479-L482 HydrophobicContact CE-CD1 4.32Å; M479-L482 PolarHBondContact O-N 3.5Å; M479-L482 HydrophobicContact SD-CD1 4.46Å; H480-L482 PolarHBondContact O-N 2.92Å; L482-I484 PolarHBondContact O-N 2.7Å; L482-K485 PolarHBondContact O-N 3.26Å; L482-K508 HydrophobicContact CD1-CB 4.35Å; L482-K508 HydrophobicContact CD1-CD 4.28Å; L482-K508 HydrophobicContact CD1-CG 3.89Å; L482-K508 HydrophobicContact CD2-CD 4.16Å; L482-K508 HydrophobicContact CD2-CG 4.45Å; L482-R676 WeakPolarHBondContact O-CG 3.45Å; L482-F679 HydrophobicContact CB-CD2 3.72Å; L482-F679 HydrophobicContact CB-CE2 4.2Å; L482-F679 HydrophobicContact CD1-CD2 4.08Å; L482-F679 HydrophobicContact CD1-CE2 3.78Å
483	A	92.2	Very high	87.6	Confident	6 Å²	6	38.1 Å²	38.1	5%	0.05	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-39.9	-177.1	0	0	0	0	0	113.7	M479 H480 K485 R676 F679 A680	M479-A483 VanDerWaalsContact O-CB 3.29Å; M479-A483 WeakPolarHBondContact O-CB 3.08Å; M479-A483 PolarHBondContact O-N 2.64Å; H480-A483 WeakPolarHBondContact O-CB 3.3Å; H480-A483 PolarHBondContact O-N 3.44Å; A483-K485 VanDerWaalsContact C-N 3.33Å; A483-K485 PolarHBondContact O-N 3.2Å; A483-R676 WeakPolarHBondContact O-CD 3.32Å; A483-R676 WeakPolarHBondContact O-CG 3.24Å; A483-R676 PolarHBondContact O-NH1 3.26Å; A483-F679 HydrophobicContact CB-CB 4.14Å; A483-A680 HydrophobicContact CB-CB 3.88Å
484	I	89.1	Confident	87.4	Confident	36 Å²	36	36.9 Å²	36.9	19%	0.185	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.4	-175.9	65.1	175.4	0	0	0	113.4	H354 E358 H480 L482 A486	H354-I484 HydrophobicContact CB-CD1 4.05Å; E358-I484 VanDerWaalsContact OE2-CG2 3.3Å; E358-I484 WeakPolarHBondContact OE2-CG2 3.47Å; H480-I484 PolarHBondContact O-N 2.97Å; H480-I484 VanDerWaalsContact O-N 3.16Å; L482-I484 PolarHBondContact O-N 2.7Å; I484-A486 PolarHBondContact O-N 2.67Å
485	K	83.3	Confident	87.3	Confident	41 Å²	41	39.4 Å²	39.4	18%	0.178	23%	0.234	C	C	.	.			trans	-80.6	56.9	-177	-71	176.3	-172.6	-179.1	0	112.3	D355 S481 L482 A483 E493	D355-K485 WeakPolarHBondContact OD1-CE 3.27Å; D355-K485 IonicContact OD1-NZ 2.67Å; D355-K485 IonicContact OD2-NZ 3.59Å; S481-K485 VanDerWaalsContact O-CD 3.28Å; S481-K485 WeakPolarHBondContact O-CD 3.48Å; S481-K485 WeakPolarHBondContact O-CE 3.31Å; S481-K485 VanDerWaalsContact O-CG 3.31Å; S481-K485 WeakPolarHBondContact O-CG 3.39Å; L482-K485 PolarHBondContact O-N 3.26Å; A483-K485 VanDerWaalsContact C-N 3.33Å; A483-K485 PolarHBondContact O-N 3.2Å; K485-E493 IonicContact NZ-OE2 3.76Å; K485-E493 PolarHBondContact NZ-OE2 2.88Å
486	A	74.2	Confident	87.2	Confident	27 Å²	27	39.5 Å²	39.5	22%	0.223	24%	0.237	C	C	.	.			trans	-69	154.2	-179	0	0	0	0	0	113.1	I484 G488 T489 R676	I484-A486 PolarHBondContact O-N 2.67Å; A486-G488 PolarHBondContact O-N 3.48Å; A486-T489 PolarHBondContact N-OG1 2.69Å; A486-T489 WeakPolarHBondContact O-CB 3.37Å; A486-T489 PolarHBondContact O-N 2.77Å; A486-T489 PolarHBondContact O-OG1 2.89Å; A486-R676 VanDerWaalsContact CA-CD 3.42Å
487	P	68	Low	87.1	Confident	100 Å²	100	41 Å²	41	65%	0.649	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	127.8	168.2	-22.7	33.1	0	0	0	110.7	D673	P487-D673 WeakPolarHBondContact CD-OD1 2.89Å; P487-D673 HydrophobicContact CG-CB 4.5Å
488	G	67.9	Low	87.1	Confident	85 Å²	85	40.4 Å²	40.4	88%	0.876	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	97.3	-10	-179.3	0	0	0	0	0	115	A486	A486-G488 PolarHBondContact O-N 3.48Å
489	T	75.5	Confident	87	Confident	59 Å²	59	43.2 Å²	43.2	36%	0.362	26%	0.255	S	S	.	.			trans	-64.9	144.1	168.3	-25	0	0	0	0	109.8	A486 H491	A486-T489 PolarHBondContact N-OG1 2.69Å; A486-T489 WeakPolarHBondContact O-CB 3.37Å; A486-T489 PolarHBondContact O-N 2.77Å; A486-T489 PolarHBondContact O-OG1 2.89Å; T489-H491 PolarHBondContact O-N 3.12Å; T489-H491 VanDerWaalsContact O-N 3.13Å
490	D	84.6	Confident	86.8	Confident	128 Å²	128	46.6 Å²	46.6	68%	0.684	27%	0.271	S	S	*	.	S	Bend	trans	-76.1	3.2	-176.1	-163.2	21.5	0	0	0	114	R495	D490-R495 PolarHBondContact O-NH1 2.81Å; D490-R495 PolarHBondContact O-NH2 2.95Å; D490-R495 IonicContact OD1-CZ 3.73Å; D490-R495 IonicContact OD1-NH1 2.73Å; D490-R495 PolarHBondContact OD1-NH1 2.83Å; D490-R495 IonicContact OD1-NH2 3.51Å; D490-R495 PolarHBondContact OD1-NH2 2.77Å
491	H	89.8	Confident	86.6	Confident	26 Å²	26	48.6 Å²	48.6	12%	0.12	28%	0.284	C	S	.	.			trans	-66.5	126.6	179.5	-165.2	-80.6	0	0	0	111.2	K351 T489 E493 C494	K351-H491 PolarHBondContact O-NE2 3.36Å; T489-H491 PolarHBondContact O-N 3.12Å; T489-H491 VanDerWaalsContact O-N 3.13Å; H491-E493 IonicContact CE1-OE2 2.76Å; H491-E493 VanDerWaalsContact ND1-CB 3.28Å; H491-E493 WeakPolarHBondContact ND1-CB 3.21Å; H491-E493 PolarHBondContact ND1-N 2.72Å; H491-E493 PolarHBondContact O-N 2.9Å; H491-E493 VanDerWaalsContact O-N 3.15Å; H491-C494 WeakPolarHBondContact O-CB 3.47Å; H491-C494 PolarHBondContact O-N 3.45Å
492	P	91.7	Very high	86.5	Confident	18 Å²	18	53.1 Å²	53.1	12%	0.117	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.7	-33.5	-174.7	-25.5	33.3	0	0	0	114.1	E194 C494 R495 A496	E194-P492 HydrophobicContact CB-CB 4.18Å; P492-C494 PolarHBondContact O-N 3.38Å; P492-R495 PolarHBondContact O-N 2.64Å; P492-A496 PolarHBondContact O-N 2.76Å
493	E	90.2	Very high	86.4	Confident	13 Å²	13	56.7 Å²	56.7	6%	0.061	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.5	-29.1	178.5	-172.5	169.2	-154.7	0	0	113.6	R168 C196 L209 K485 H491 R495 A496 F498	R168-E493 IonicContact CZ-OE1 2.77Å; R168-E493 IonicContact NH2-OE1 2.61Å; R168-E493 PolarHBondContact NH2-OE1 2.97Å; R168-E493 IonicContact NH2-OE2 3.15Å; C196-E493 HydrophobicContact CB-CB 4.29Å; L209-E493 WeakPolarHBondContact CD1-OE1 3.46Å; K485-E493 IonicContact NZ-OE2 3.76Å; K485-E493 PolarHBondContact NZ-OE2 2.88Å; H491-E493 IonicContact CE1-OE2 2.76Å; H491-E493 VanDerWaalsContact ND1-CB 3.28Å; H491-E493 WeakPolarHBondContact ND1-CB 3.21Å; H491-E493 PolarHBondContact ND1-N 2.72Å; H491-E493 PolarHBondContact O-N 2.9Å; H491-E493 VanDerWaalsContact O-N 3.15Å; E493-R495 PolarHBondContact O-N 2.83Å; E493-A496 WeakPolarHBondContact O-CB 3.43Å; E493-A496 PolarHBondContact O-N 3.44Å; E493-A496 VanDerWaalsContact O-N 3.14Å; E493-F498 HydrophobicContact CG-CZ 4.37Å
494	C	87.3	Confident	86.4	Confident	48 Å²	48	57 Å²	57	32%	0.324	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.7	175.8	-63.7	0	0	0	0	112.5	H491 P492	H491-C494 WeakPolarHBondContact O-CB 3.47Å; H491-C494 PolarHBondContact O-N 3.45Å; P492-C494 PolarHBondContact O-N 3.38Å
495	R	89.6	Confident	86.6	Confident	93 Å²	93	56.9 Å²	56.9	35%	0.351	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-103.7	-4.8	178.7	-55	-178.5	-75.4	-113.4	5.8	112.3	T172 E194 D490 P492 E493	T172-R495 CarbonylContact C-O 3.59Å; T172-R495 VanDerWaalsContact CA-O 3.31Å; T172-R495 WeakPolarHBondContact CA-O 3.45Å; T172-R495 HydrophobicContact CG2-CB 4.26Å; E194-R495 IonicContact OE1-NH2 3.72Å; E194-R495 PolarHBondContact OE1-NH2 3.42Å; D490-R495 PolarHBondContact O-NH1 2.81Å; D490-R495 PolarHBondContact O-NH2 2.95Å; D490-R495 IonicContact OD1-CZ 3.73Å; D490-R495 IonicContact OD1-NH1 2.73Å; D490-R495 PolarHBondContact OD1-NH1 2.83Å; D490-R495 IonicContact OD1-NH2 3.51Å; D490-R495 PolarHBondContact OD1-NH2 2.77Å; P492-R495 PolarHBondContact O-N 2.64Å; E493-R495 PolarHBondContact O-N 2.83Å
496	A	92.6	Very high	87.1	Confident	15 Å²	15	59 Å²	59	12%	0.124	33%	0.331	C	S	.	.			trans	-68.4	136.7	-175.4	0	0	0	0	0	112	E170 P492 E493 F498	E170-A496 HydrophobicContact CB-CB 3.76Å; E170-A496 HydrophobicContact CG-CB 3.87Å; P492-A496 PolarHBondContact O-N 2.76Å; E493-A496 WeakPolarHBondContact O-CB 3.43Å; E493-A496 PolarHBondContact O-N 3.44Å; E493-A496 VanDerWaalsContact O-N 3.14Å; A496-F498 HydrophobicContact CB-CD2 4.41Å; A496-F498 HydrophobicContact CB-CE2 3.8Å; A496-F498 HydrophobicContact CB-CZ 4.04Å
497	V	92.5	Very high	88	Confident	35 Å²	35	60.1 Å²	60.1	21%	0.212	33%	0.329	C	S	.	.			trans	-95	105.9	178	-177.5	0	0	0	0	109.3	Q171 T174	Q171-V497 PolarHBondContact O-N 3.22Å; T174-V497 HydrophobicContact CG2-CG1 4.42Å; T174-V497 HydrophobicContact CG2-CG2 4.02Å
498	F	92.6	Very high	89.3	Confident	35 Å²	35	56.8 Å²	56.8	15%	0.154	31%	0.305	C	S	.	.			trans	-94.7	143.2	175.5	-64.3	-77.3	0	0	0	111.3	L209 E493 A496 V501 Y504	L209-F498 HydrophobicContact CD1-CE1 3.79Å; L209-F498 HydrophobicContact CD1-CZ 3.9Å; L209-F498 HydrophobicContact CD2-CE1 4Å; E493-F498 HydrophobicContact CG-CZ 4.37Å; A496-F498 HydrophobicContact CB-CD2 4.41Å; A496-F498 HydrophobicContact CB-CE2 3.8Å; A496-F498 HydrophobicContact CB-CZ 4.04Å; F498-V501 HydrophobicContact CB-CG2 3.99Å; F498-V501 WeakPolarHBondContact O-CG2 3.4Å; F498-Y504 HydrophobicContact CB-CD2 4.25Å; F498-Y504 HydrophobicContact CB-CE2 4.06Å; F498-Y504 HydrophobicContact CD1-CD2 4.24Å; F498-Y504 AromaticContact CD1-CE2 3.69Å; F498-Y504 HydrophobicContact CD1-CE2 3.69Å; F498-Y504 HydrophobicContact CE1-CE2 4.43Å; F498-Y504 HydrophobicContact CG-CD2 4.31Å; F498-Y504 HydrophobicContact CG-CE2 4.12Å
499	F	92	Very high	90.5	Very high	83 Å²	83	52.7 Å²	52.7	36%	0.364	26%	0.263	S	S	.	.	S	Bend	trans	-99.7	-17.2	176.7	-65.3	-93.1	0	0	0	112.7	G116 K117 E149	G116-F499 VanDerWaalsContact C-CE2 3.43Å; G116-F499 WeakPolarHBondContact O-CE2 3.49Å; K117-F499 HydrophobicContact CD-CB 4.49Å; K117-F499 HydrophobicContact CD-CD1 4.36Å; K117-F499 HydrophobicContact CG-CB 3.97Å; K117-F499 HydrophobicContact CG-CD1 3.66Å; K117-F499 HydrophobicContact CG-CD2 4.18Å; K117-F499 HydrophobicContact CG-CE1 4.14Å; K117-F499 HydrophobicContact CG-CG 3.67Å; E149-F499 PolarHBondContact OE1-N 2.8Å; E149-F499 WeakPolarHBondContact OE2-CB 3.48Å; E149-F499 WeakPolarHBondContact OE2-CD2 3.39Å; E149-F499 PolarHBondContact OE2-N 3.34Å; E149-F499 VanDerWaalsContact OE2-N 3.15Å
500	E	90.4	Very high	91.4	Very high	71 Å²	71	53.6 Å²	53.6	33%	0.332	27%	0.268	S	S	.	.			trans	-106.7	38.4	-179.5	-64.4	-73.6	166.9	0	0	112	E149 D502 K503 Y504	E149-E500 HydrophobicContact CB-CG 4.37Å; E149-E500 HydrophobicContact CG-CB 4.47Å; E149-E500 HydrophobicContact CG-CG 4.03Å; E149-E500 PolarHBondContact OE1-N 3.2Å; E500-D502 VanDerWaalsContact C-N 3.31Å; E500-D502 PolarHBondContact O-N 3.13Å; E500-K503 HydrophobicContact CB-CB 4.34Å; E500-K503 WeakPolarHBondContact O-CB 3.44Å; E500-K503 PolarHBondContact O-N 3.37Å; E500-K503 VanDerWaalsContact O-N 3.15Å; E500-Y504 HydrophobicContact CB-CD2 4.34Å; E500-Y504 HydrophobicContact CB-CE1 4.47Å; E500-Y504 HydrophobicContact CB-CE2 3.79Å; E500-Y504 WeakPolarHBondContact O-CD2 3.43Å; E500-Y504 PolarHBondContact O-N 3.22Å; E500-Y504 VanDerWaalsContact O-N 3.13Å
501	V	89.6	Confident	91.9	Very high	63 Å²	63	48.7 Å²	48.7	38%	0.382	24%	0.242	S	C	.	.	H	α-helix	trans	-54.5	-44.5	-173.1	-179.8	0	0	0	0	112.3	F498 K503 Y504 N505	F498-V501 HydrophobicContact CB-CG2 3.99Å; F498-V501 WeakPolarHBondContact O-CG2 3.4Å; V501-K503 PolarHBondContact O-N 3.1Å; V501-Y504 PolarHBondContact O-N 2.84Å; V501-N505 WeakPolarHBondContact O-CB 3.24Å; V501-N505 PolarHBondContact O-N 2.9Å
502	D	90.4	Very high	92.2	Very high	108 Å²	108	47.4 Å²	47.4	58%	0.578	24%	0.236	S	C	*	.	H	α-helix	trans	-61.9	-43.3	-178.6	-60.5	-25.2	0	0	0	111.6	E500 Y504 N505 K506	E500-D502 VanDerWaalsContact C-N 3.31Å; E500-D502 PolarHBondContact O-N 3.13Å; D502-Y504 VanDerWaalsContact C-N 3.33Å; D502-Y504 PolarHBondContact O-N 3.43Å; D502-N505 PolarHBondContact O-N 2.78Å; D502-K506 WeakPolarHBondContact O-CB 3.39Å; D502-K506 VanDerWaalsContact O-CG 3.25Å; D502-K506 WeakPolarHBondContact O-CG 3.34Å; D502-K506 PolarHBondContact O-N 3.02Å
503	K	91.3	Very high	92.4	Very high	100 Å²	100	48 Å²	48	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-45.1	176.5	-180	-176.6	176.8	-177.9	0	110.8	S150 E500 V501 R507	S150-K503 PolarHBondContact O-NZ 3.03Å; E500-K503 HydrophobicContact CB-CB 4.34Å; E500-K503 WeakPolarHBondContact O-CB 3.44Å; E500-K503 PolarHBondContact O-N 3.37Å; E500-K503 VanDerWaalsContact O-N 3.15Å; V501-K503 PolarHBondContact O-N 3.1Å; K503-R507 PolarHBondContact O-N 3.11Å
504	Y	92.4	Very high	92.6	Very high	14 Å²	14	49 Å²	49	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-41.3	-179.3	-60.5	-37.3	0	0	0	112.5	E149 Y208 L209 F498 E500 V501 D502 R507 K508	E149-Y504 WeakPolarHBondContact CG-OH 3.44Å; E149-Y504 WeakPolarHBondContact OE1-CE2 3.41Å; E149-Y504 PolarHBondContact OE1-OH 2.87Å; Y208-Y504 AromaticContact CD2-CD1 3.88Å; Y208-Y504 HydrophobicContact CD2-CD1 3.88Å; Y208-Y504 AromaticContact CD2-CG 3.81Å; Y208-Y504 HydrophobicContact CD2-CG 3.81Å; Y208-Y504 HydrophobicContact CE2-CD1 4.24Å; Y208-Y504 HydrophobicContact CE2-CD2 4.2Å; Y208-Y504 AromaticContact CE2-CG 3.82Å; Y208-Y504 HydrophobicContact CE2-CG 3.82Å; L209-Y504 HydrophobicContact CD2-CD1 3.92Å; L209-Y504 HydrophobicContact CD2-CD2 4.25Å; L209-Y504 HydrophobicContact CD2-CE1 3.51Å; L209-Y504 HydrophobicContact CD2-CE2 3.85Å; L209-Y504 HydrophobicContact CD2-CG 4.28Å; L209-Y504 VanDerWaalsContact CD2-CZ 3.46Å; F498-Y504 HydrophobicContact CB-CD2 4.25Å; F498-Y504 HydrophobicContact CB-CE2 4.06Å; F498-Y504 HydrophobicContact CD1-CD2 4.24Å; F498-Y504 AromaticContact CD1-CE2 3.69Å; F498-Y504 HydrophobicContact CD1-CE2 3.69Å; F498-Y504 HydrophobicContact CE1-CE2 4.43Å; F498-Y504 HydrophobicContact CG-CD2 4.31Å; F498-Y504 HydrophobicContact CG-CE2 4.12Å; E500-Y504 HydrophobicContact CB-CD2 4.34Å; E500-Y504 HydrophobicContact CB-CE1 4.47Å; E500-Y504 HydrophobicContact CB-CE2 3.79Å; E500-Y504 WeakPolarHBondContact O-CD2 3.43Å; E500-Y504 PolarHBondContact O-N 3.22Å; E500-Y504 VanDerWaalsContact O-N 3.13Å; V501-Y504 PolarHBondContact O-N 2.84Å; D502-Y504 VanDerWaalsContact C-N 3.33Å; D502-Y504 PolarHBondContact O-N 3.43Å; Y504-R507 PolarHBondContact O-N 2.97Å; Y504-K508 VanDerWaalsContact O-CG 3.26Å; Y504-K508 WeakPolarHBondContact O-CG 3.4Å; Y504-K508 PolarHBondContact O-N 2.83Å
505	N	93.1	Very high	93	Very high	33 Å²	33	46.8 Å²	46.8	18%	0.176	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-41.2	177.4	-73.9	-5.8	0	0	0	111.6	V501 D502 R507 K508 L509 G568 M675	V501-N505 WeakPolarHBondContact O-CB 3.24Å; V501-N505 PolarHBondContact O-N 2.9Å; D502-N505 PolarHBondContact O-N 2.78Å; N505-R507 PolarHBondContact O-N 3.28Å; N505-K508 PolarHBondContact O-N 2.82Å; N505-L509 WeakPolarHBondContact O-CB 3.35Å; N505-L509 WeakPolarHBondContact O-CG 3.25Å; N505-L509 PolarHBondContact O-N 3.4Å; N505-G568 VanDerWaalsContact CB-O 3.3Å; N505-G568 WeakPolarHBondContact CB-O 3.35Å; N505-M675 HydrophobicContact CB-CE 4.06Å
506	K	93.8	Very high	93.3	Very high	84 Å²	84	42.6 Å²	42.6	37%	0.365	22%	0.218	S	C	.	.	H	α-helix	trans	-59	-45.7	172.2	-70.1	-179.6	-165	-158.1	0	111.7	D502 K508 L509 T510 N566	D502-K506 WeakPolarHBondContact O-CB 3.39Å; D502-K506 VanDerWaalsContact O-CG 3.25Å; D502-K506 WeakPolarHBondContact O-CG 3.34Å; D502-K506 PolarHBondContact O-N 3.02Å; K506-K508 PolarHBondContact O-N 2.94Å; K506-L509 PolarHBondContact O-N 3.29Å; K506-T510 PolarHBondContact O-N 3.4Å; K506-T510 PolarHBondContact O-OG1 3.14Å; K506-N566 WeakPolarHBondContact CE-O 3.48Å; K506-N566 PolarHBondContact NZ-O 3.09Å
507	R	93	Very high	93.5	Very high	51 Å²	51	48.6 Å²	48.6	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-45.3	176.9	-169.3	175.3	-175	-170.1	2.1	112.3	Y208 E210 D212 K503 Y504 N505 L509 T510 D511	Y208-R507 WeakPolarHBondContact O-CD 3.37Å; Y208-R507 PolarHBondContact O-NH1 3.08Å; E210-R507 PolarHBondContact O-NH1 3Å; E210-R507 PolarHBondContact O-NH2 2.99Å; D212-R507 IonicContact OD1-CZ 2.78Å; D212-R507 IonicContact OD1-NH2 3.74Å; D212-R507 PolarHBondContact OD1-NH2 2.75Å; D212-R507 IonicContact OD2-NH2 3.7Å; K503-R507 PolarHBondContact O-N 3.11Å; Y504-R507 PolarHBondContact O-N 2.97Å; N505-R507 PolarHBondContact O-N 3.28Å; R507-L509 VanDerWaalsContact C-N 3.3Å; R507-L509 PolarHBondContact O-N 3.13Å; R507-T510 PolarHBondContact O-N 3.01Å; R507-D511 WeakPolarHBondContact O-CB 3.47Å; R507-D511 PolarHBondContact O-N 3.3Å
508	K	94.5	Very high	93.7	Very high	30 Å²	30	47 Å²	47	13%	0.13	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-42.8	176.3	-68.2	167.9	-170.7	172.6	0	111.7	Y208 L482 Y504 N505 K506 D511 F512 M675 F679	Y208-K508 HydrophobicContact CD1-CD 4.45Å; Y208-K508 HydrophobicContact CD1-CG 4.21Å; Y208-K508 VanDerWaalsContact CE1-CE 3.43Å; Y208-K508 HydrophobicContact CG-CG 4.07Å; Y208-K508 VanDerWaalsContact CZ-CE 3.48Å; L482-K508 HydrophobicContact CD1-CB 4.35Å; L482-K508 HydrophobicContact CD1-CD 4.28Å; L482-K508 HydrophobicContact CD1-CG 3.89Å; L482-K508 HydrophobicContact CD2-CD 4.16Å; L482-K508 HydrophobicContact CD2-CG 4.45Å; Y504-K508 VanDerWaalsContact O-CG 3.26Å; Y504-K508 WeakPolarHBondContact O-CG 3.4Å; Y504-K508 PolarHBondContact O-N 2.83Å; N505-K508 PolarHBondContact O-N 2.82Å; K506-K508 PolarHBondContact O-N 2.94Å; K508-D511 PolarHBondContact O-N 3.47Å; K508-F512 WeakPolarHBondContact O-CB 3.26Å; K508-F512 PolarHBondContact O-N 2.67Å; K508-M675 HydrophobicContact CB-SD 4.08Å; K508-M675 HydrophobicContact CD-SD 3.98Å; K508-F679 HydrophobicContact CB-CE2 4.44Å; K508-F679 HydrophobicContact CB-CZ 4.39Å
509	L	94.3	Very high	93.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-44.1	178.6	-71.9	169.9	0	0	0	112.2	N505 K506 R507 D511 F512 L513 A564 G568 I570 M675	N505-L509 WeakPolarHBondContact O-CB 3.35Å; N505-L509 WeakPolarHBondContact O-CG 3.25Å; N505-L509 PolarHBondContact O-N 3.4Å; K506-L509 PolarHBondContact O-N 3.29Å; R507-L509 VanDerWaalsContact C-N 3.3Å; R507-L509 PolarHBondContact O-N 3.13Å; L509-D511 VanDerWaalsContact C-N 3.3Å; L509-D511 PolarHBondContact O-N 2.75Å; L509-F512 PolarHBondContact O-N 3.32Å; L509-F512 VanDerWaalsContact O-N 3.16Å; L509-L513 WeakPolarHBondContact O-CB 3.36Å; L509-L513 VanDerWaalsContact O-CG 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.39Å; L509-L513 PolarHBondContact O-N 2.82Å; L509-A564 HydrophobicContact CD1-CB 4.36Å; L509-A564 WeakPolarHBondContact CD1-O 3.45Å; L509-G568 VanDerWaalsContact CD1-C 3.49Å; L509-I570 HydrophobicContact CD1-CG1 4.48Å; L509-I570 HydrophobicContact CD2-CD1 3.5Å; L509-I570 VanDerWaalsContact CD2-CD1 3.5Å; L509-I570 HydrophobicContact CD2-CG1 3.48Å; L509-I570 VanDerWaalsContact CD2-CG1 3.48Å; L509-M675 HydrophobicContact CD1-CE 3.89Å; L509-M675 HydrophobicContact CD2-CE 3.98Å; L509-M675 HydrophobicContact CG-CE 3.78Å
510	T	94.2	Very high	94	Very high	78 Å²	78	43.3 Å²	43.3	48%	0.479	22%	0.217	S	C	.	.	H	α-helix	trans	-57	-45.5	174.3	-59.7	0	0	0	0	111.2	K506 R507 F512 L513 A514	K506-T510 PolarHBondContact O-N 3.4Å; K506-T510 PolarHBondContact O-OG1 3.14Å; R507-T510 PolarHBondContact O-N 3.01Å; T510-F512 PolarHBondContact O-N 2.99Å; T510-L513 PolarHBondContact O-N 2.91Å; T510-A514 VanDerWaalsContact O-CB 3.29Å; T510-A514 WeakPolarHBondContact O-CB 3.16Å; T510-A514 PolarHBondContact O-N 3.23Å
511	D	94.6	Very high	94.2	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-61	-42.9	176.5	-80.9	11.5	0	0	0	111.4	L475 K478 M479 R507 K508 L509 L515	L475-D511 HydrophobicContact CD2-CB 3.73Å; K478-D511 WeakPolarHBondContact CD-OD2 3.13Å; K478-D511 IonicContact NZ-OD2 3.75Å; K478-D511 PolarHBondContact NZ-OD2 3.49Å; M479-D511 HydrophobicContact CE-CB 3.7Å; R507-D511 WeakPolarHBondContact O-CB 3.47Å; R507-D511 PolarHBondContact O-N 3.3Å; K508-D511 PolarHBondContact O-N 3.47Å; L509-D511 VanDerWaalsContact C-N 3.3Å; L509-D511 PolarHBondContact O-N 2.75Å; D511-L515 WeakPolarHBondContact O-CB 3.29Å; D511-L515 PolarHBondContact O-N 3.32Å
512	F	96	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-42.1	178.3	-175.4	-120.8	0	0	0	113.2	M479 K508 L509 T510 L515 I516 F555 F559 F679 F682	M479-F512 HydrophobicContact CE-CB 4.2Å; M479-F512 HydrophobicContact CG-CD2 4.11Å; M479-F512 HydrophobicContact SD-CB 3.86Å; M479-F512 HydrophobicContact SD-CD2 3.71Å; M479-F512 HydrophobicContact SD-CG 4.2Å; K508-F512 WeakPolarHBondContact O-CB 3.26Å; K508-F512 PolarHBondContact O-N 2.67Å; L509-F512 PolarHBondContact O-N 3.32Å; L509-F512 VanDerWaalsContact O-N 3.16Å; T510-F512 PolarHBondContact O-N 2.99Å; F512-L515 WeakPolarHBondContact O-CB 3.34Å; F512-L515 PolarHBondContact O-N 2.94Å; F512-I516 HydrophobicContact CD1-CD1 3.94Å; F512-I516 HydrophobicContact CE1-CD1 3.56Å; F512-I516 HydrophobicContact CE2-CD1 4.38Å; F512-I516 HydrophobicContact CZ-CD1 3.81Å; F512-I516 HydrophobicContact CZ-CG1 4.37Å; F512-I516 WeakPolarHBondContact O-CG1 3.09Å; F512-I516 PolarHBondContact O-N 2.98Å; F512-F555 HydrophobicContact CZ-CD1 4.08Å; F512-F559 HydrophobicContact CD1-CZ 4.23Å; F512-F559 HydrophobicContact CE1-CE1 4.11Å; F512-F559 HydrophobicContact CE1-CZ 4.09Å; F512-F679 HydrophobicContact CB-CE1 3.68Å; F512-F679 HydrophobicContact CB-CZ 4.21Å; F512-F679 HydrophobicContact CD1-CD1 4.3Å; F512-F679 AromaticContact CD1-CE1 3.75Å; F512-F679 HydrophobicContact CD1-CE1 3.75Å; F512-F679 AromaticContact CD2-CD1 3.73Å; F512-F679 HydrophobicContact CD2-CD1 3.73Å; F512-F679 AromaticContact CD2-CE1 3.73Å; F512-F679 HydrophobicContact CD2-CE1 3.73Å; F512-F679 HydrophobicContact CE1-CD1 4.44Å; F512-F679 HydrophobicContact CE1-CE1 4.27Å; F512-F679 AromaticContact CE2-CD1 3.91Å; F512-F679 HydrophobicContact CE2-CD1 3.91Å; F512-F679 HydrophobicContact CE2-CE1 4.27Å; F512-F679 AromaticContact CG-CD1 3.94Å; F512-F679 HydrophobicContact CG-CD1 3.94Å; F512-F679 AromaticContact CG-CE1 3.44Å; F512-F679 HydrophobicContact CG-CE1 3.44Å; F512-F679 VanDerWaalsContact CG-CE1 3.44Å; F512-F679 HydrophobicContact CG-CZ 4.42Å; F512-F679 HydrophobicContact CZ-CD1 4.26Å; F512-F682 HydrophobicContact CE2-CB 3.9Å; F512-F682 HydrophobicContact CE2-CD1 4.31Å; F512-F682 AromaticContact CE2-CD2 3.75Å; F512-F682 HydrophobicContact CE2-CD2 3.75Å; F512-F682 HydrophobicContact CE2-CE2 4.4Å; F512-F682 AromaticContact CE2-CG 3.71Å; F512-F682 HydrophobicContact CE2-CG 3.71Å; F512-F682 HydrophobicContact CZ-CB 4.28Å; F512-F682 HydrophobicContact CZ-CD2 4.07Å; F512-F682 HydrophobicContact CZ-CG 4.31Å
513	L	95.7	Very high	94.4	Very high	31 Å²	31	33.2 Å²	33.2	16%	0.162	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-38.4	177.2	-66.5	177.8	0	0	0	111.4	L509 T510 L515 I516 K517 F559 H561 A565	L509-L513 WeakPolarHBondContact O-CB 3.36Å; L509-L513 VanDerWaalsContact O-CG 3.26Å; L509-L513 WeakPolarHBondContact O-CG 3.39Å; L509-L513 PolarHBondContact O-N 2.82Å; T510-L513 PolarHBondContact O-N 2.91Å; L513-L515 VanDerWaalsContact C-N 3.27Å; L513-L515 PolarHBondContact O-N 3.47Å; L513-I516 PolarHBondContact O-N 2.95Å; L513-K517 WeakPolarHBondContact O-CB 3.45Å; L513-K517 PolarHBondContact O-N 3.22Å; L513-F559 HydrophobicContact CD2-CE2 4.26Å; L513-F559 HydrophobicContact CD2-CZ 4.22Å; L513-H561 HydrophobicContact CD1-CB 4.33Å; L513-H561 HydrophobicContact CD2-CB 3.91Å; L513-H561 VanDerWaalsContact CD2-CG 3.48Å; L513-H561 WeakPolarHBondContact CD2-ND1 3.35Å; L513-A565 HydrophobicContact CD1-CB 3.94Å
514	A	95.2	Very high	94.4	Very high	34 Å²	34	32.2 Å²	32.2	28%	0.281	16%	0.16	S	C	.	.	H	α-helix	trans	-61.3	-38.5	172.3	0	0	0	0	0	111.5	P470 L475 T510 G518	P470-A514 HydrophobicContact CG-CB 4.46Å; L475-A514 HydrophobicContact CD1-CB 4.26Å; T510-A514 VanDerWaalsContact O-CB 3.29Å; T510-A514 WeakPolarHBondContact O-CB 3.16Å; T510-A514 PolarHBondContact O-N 3.23Å; A514-G518 PolarHBondContact O-N 3.42Å
515	L	95.8	Very high	94.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-49.6	175.9	-172.9	59.5	0	0	0	112	L472 L475 L476 M479 D511 F512 L513 K517 G518 F519 F682	L472-L515 HydrophobicContact CB-CD1 4.38Å; L472-L515 HydrophobicContact CD2-CD1 3.76Å; L475-L515 HydrophobicContact CB-CB 4.33Å; L475-L515 HydrophobicContact CB-CD1 3.72Å; L475-L515 HydrophobicContact CB-CD2 4.41Å; L475-L515 HydrophobicContact CB-CG 4.39Å; L475-L515 HydrophobicContact CD1-CB 4.28Å; L475-L515 HydrophobicContact CD1-CD1 4.42Å; L476-L515 HydrophobicContact CD2-CD1 4.5Å; L476-L515 HydrophobicContact CD2-CD2 4.17Å; L476-L515 HydrophobicContact CG-CD1 4.25Å; M479-L515 HydrophobicContact CB-CD2 4.48Å; M479-L515 HydrophobicContact CG-CD2 3.63Å; D511-L515 WeakPolarHBondContact O-CB 3.29Å; D511-L515 PolarHBondContact O-N 3.32Å; F512-L515 WeakPolarHBondContact O-CB 3.34Å; F512-L515 PolarHBondContact O-N 2.94Å; L513-L515 VanDerWaalsContact C-N 3.27Å; L513-L515 PolarHBondContact O-N 3.47Å; L515-K517 PolarHBondContact O-N 3.32Å; L515-G518 PolarHBondContact O-N 2.77Å; L515-F519 HydrophobicContact CD1-CD2 3.99Å; L515-F519 HydrophobicContact CD1-CE2 3.34Å; L515-F519 HydrophobicContact CD1-CZ 4.08Å; L515-F519 HydrophobicContact CD2-CE2 4.44Å; L515-F519 HydrophobicContact CG-CD2 4.06Å; L515-F519 HydrophobicContact CG-CE2 3.69Å; L515-F519 VanDerWaalsContact O-CD2 3.24Å; L515-F519 WeakPolarHBondContact O-CD2 3.41Å; L515-F519 PolarHBondContact O-N 3.26Å; L515-F682 HydrophobicContact CD2-CD1 4.21Å; L515-F682 HydrophobicContact CD2-CE1 3.52Å; L515-F682 HydrophobicContact CD2-CZ 3.96Å; L515-F682 HydrophobicContact CG-CE1 4.12Å; L515-F682 HydrophobicContact CG-CZ 4.08Å
516	I	96.2	Very high	94	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-49.2	177.2	-66.4	166.5	0	0	0	110.5	F512 L513 G518 F519 D520 L552 F555 Q556 F682	F512-I516 HydrophobicContact CD1-CD1 3.94Å; F512-I516 HydrophobicContact CE1-CD1 3.56Å; F512-I516 HydrophobicContact CE2-CD1 4.38Å; F512-I516 HydrophobicContact CZ-CD1 3.81Å; F512-I516 HydrophobicContact CZ-CG1 4.37Å; F512-I516 WeakPolarHBondContact O-CG1 3.09Å; F512-I516 PolarHBondContact O-N 2.98Å; L513-I516 PolarHBondContact O-N 2.95Å; I516-G518 VanDerWaalsContact C-N 3.27Å; I516-G518 PolarHBondContact O-N 2.97Å; I516-F519 PolarHBondContact O-N 3.35Å; I516-D520 WeakPolarHBondContact O-CB 3.46Å; I516-D520 PolarHBondContact O-N 3.05Å; I516-L552 HydrophobicContact CG2-CD2 4.35Å; I516-F555 HydrophobicContact CD1-CB 3.9Å; I516-F555 HydrophobicContact CG1-CB 4.34Å; I516-Q556 HydrophobicContact CG2-CG 3.88Å; I516-F682 HydrophobicContact CG1-CE2 4.33Å
517	K	95.6	Very high	93.7	Very high	142 Å²	142	31.7 Å²	31.7	62%	0.617	16%	0.159	S	C	*	.	H	α-helix	trans	-61.5	-36.5	179	-175.7	178.7	179.7	-179	0	112.4	L513 L515 D520 T521	L513-K517 WeakPolarHBondContact O-CB 3.45Å; L513-K517 PolarHBondContact O-N 3.22Å; L515-K517 PolarHBondContact O-N 3.32Å; K517-D520 PolarHBondContact O-N 3.31Å; K517-T521 WeakPolarHBondContact O-CB 3.48Å; K517-T521 PolarHBondContact O-N 3.14Å; K517-T521 PolarHBondContact O-OG1 2.92Å
518	G	96	Very high	93.4	Very high	1 Å²	1	31 Å²	31	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-40.8	177.3	0	0	0	0	0	112.8	A514 L515 I516 T521 A522	A514-G518 PolarHBondContact O-N 3.42Å; L515-G518 PolarHBondContact O-N 2.77Å; I516-G518 VanDerWaalsContact C-N 3.27Å; I516-G518 PolarHBondContact O-N 2.97Å; G518-T521 PolarHBondContact O-N 3.35Å; G518-A522 WeakPolarHBondContact O-CB 3.28Å; G518-A522 PolarHBondContact O-N 3.02Å
519	F	96.2	Very high	92.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.6	-37.3	173.4	-75.2	-60.5	0	0	0	113.2	L472 L476 L515 I516 T521 A522 K523 I548 L552 F682 W689 I692 V693	L472-F519 HydrophobicContact CB-CZ 4.4Å; L472-F519 HydrophobicContact CD1-CD1 4.27Å; L472-F519 HydrophobicContact CD1-CE1 4.05Å; L472-F519 HydrophobicContact CD1-CZ 4.45Å; L476-F519 HydrophobicContact CD1-CZ 3.98Å; L476-F519 HydrophobicContact CD2-CE2 4.06Å; L476-F519 HydrophobicContact CD2-CZ 4.09Å; L476-F519 HydrophobicContact CG-CE2 4.37Å; L476-F519 HydrophobicContact CG-CZ 4.1Å; L515-F519 HydrophobicContact CD1-CD2 3.99Å; L515-F519 HydrophobicContact CD1-CE2 3.34Å; L515-F519 HydrophobicContact CD1-CZ 4.08Å; L515-F519 HydrophobicContact CD2-CE2 4.44Å; L515-F519 HydrophobicContact CG-CD2 4.06Å; L515-F519 HydrophobicContact CG-CE2 3.69Å; L515-F519 VanDerWaalsContact O-CD2 3.24Å; L515-F519 WeakPolarHBondContact O-CD2 3.41Å; L515-F519 PolarHBondContact O-N 3.26Å; I516-F519 PolarHBondContact O-N 3.35Å; F519-T521 VanDerWaalsContact C-N 3.32Å; F519-T521 PolarHBondContact O-N 2.9Å; F519-A522 WeakPolarHBondContact O-CB 3.38Å; F519-A522 PolarHBondContact O-N 3.06Å; F519-K523 PolarHBondContact O-N 3.4Å; F519-I548 HydrophobicContact CB-CD1 4.47Å; F519-L552 HydrophobicContact CB-CD2 3.91Å; F519-F682 AromaticContact CD2-CZ 3.85Å; F519-F682 HydrophobicContact CD2-CZ 3.85Å; F519-F682 HydrophobicContact CE2-CE1 4.21Å; F519-F682 AromaticContact CE2-CZ 3.8Å; F519-F682 HydrophobicContact CE2-CZ 3.8Å; F519-W689 HydrophobicContact CB-CZ3 4.31Å; F519-W689 AromaticContact CD1-CE3 3.82Å; F519-W689 HydrophobicContact CD1-CE3 3.82Å; F519-W689 HydrophobicContact CD1-CZ3 4.34Å; F519-W689 HydrophobicContact CD2-CD2 4.43Å; F519-W689 AromaticContact CD2-CE3 3.97Å; F519-W689 HydrophobicContact CD2-CE3 3.97Å; F519-W689 HydrophobicContact CD2-CZ3 4.34Å; F519-W689 HydrophobicContact CE1-CB 4.08Å; F519-W689 AromaticContact CE1-CE3 3.97Å; F519-W689 HydrophobicContact CE1-CE3 3.97Å; F519-W689 HydrophobicContact CE2-CB 4.24Å; F519-W689 HydrophobicContact CE2-CD2 4.19Å; F519-W689 HydrophobicContact CE2-CE3 4.08Å; F519-W689 HydrophobicContact CE2-CG 4.25Å; F519-W689 AromaticContact CG-CE3 3.86Å; F519-W689 HydrophobicContact CG-CE3 3.86Å; F519-W689 HydrophobicContact CG-CZ3 4.09Å; F519-W689 HydrophobicContact CZ-CB 3.65Å; F519-W689 HydrophobicContact CZ-CD2 4.3Å; F519-W689 HydrophobicContact CZ-CE3 4.12Å; F519-W689 HydrophobicContact CZ-CG 4.13Å; F519-I692 HydrophobicContact CD1-CB 4.33Å; F519-I692 HydrophobicContact CD1-CD1 4.32Å; F519-I692 HydrophobicContact CD1-CG2 3.94Å; F519-I692 HydrophobicContact CE1-CB 4.19Å; F519-I692 HydrophobicContact CE1-CG2 4.12Å; F519-V693 HydrophobicContact CE1-CG2 4.18Å; F519-V693 HydrophobicContact CZ-CG2 4.27Å
520	D	95.6	Very high	92.3	Very high	40 Å²	40	32.2 Å²	32.2	21%	0.214	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-44	171.7	-177	76	0	0	0	111.3	I516 K517 A522 K523 H524 L552 Q556	I516-D520 WeakPolarHBondContact O-CB 3.46Å; I516-D520 PolarHBondContact O-N 3.05Å; K517-D520 PolarHBondContact O-N 3.31Å; D520-A522 PolarHBondContact O-N 3.2Å; D520-K523 WeakPolarHBondContact O-CB 3.49Å; D520-K523 PolarHBondContact O-N 2.92Å; D520-H524 PolarHBondContact O-N 3.04Å; D520-H524 PolarHBondContact O-ND1 3.43Å; D520-H524 IonicContact OD1-CE1 3.25Å; D520-H524 IonicContact OD2-CE1 2.73Å; D520-H524 PolarHBondContact OD2-CE1 3Å; D520-H524 IonicContact OD2-ND1 3.39Å; D520-H524 PolarHBondContact OD2-ND1 3.17Å; D520-L552 HydrophobicContact CB-CD1 4.35Å; D520-Q556 PolarHBondContact OD1-NE2 3.32Å; D520-Q556 VanDerWaalsContact OD1-NE2 3.1Å
521	T	94.9	Very high	91.8	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-42.2	174.4	-57.7	0	0	0	0	111.6	R465 I469 K517 G518 F519 H524 I525	R465-T521 HydrophobicContact CB-CG2 3.87Å; R465-T521 HydrophobicContact CG-CG2 4.49Å; I469-T521 HydrophobicContact CD1-CG2 4.28Å; I469-T521 HydrophobicContact CG1-CG2 3.91Å; K517-T521 WeakPolarHBondContact O-CB 3.48Å; K517-T521 PolarHBondContact O-N 3.14Å; K517-T521 PolarHBondContact O-OG1 2.92Å; G518-T521 PolarHBondContact O-N 3.35Å; F519-T521 VanDerWaalsContact C-N 3.32Å; F519-T521 PolarHBondContact O-N 2.9Å; T521-H524 PolarHBondContact O-N 3.35Å; T521-I525 HydrophobicContact CG2-CD1 4.34Å; T521-I525 WeakPolarHBondContact O-CG1 3.43Å; T521-I525 PolarHBondContact O-N 3.03Å
522	A	93	Very high	91.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-40.8	176.2	0	0	0	0	0	112.3	I469 G518 F519 D520 I525 Y526 I692 I696	I469-A522 HydrophobicContact CD1-CB 4.4Å; G518-A522 WeakPolarHBondContact O-CB 3.28Å; G518-A522 PolarHBondContact O-N 3.02Å; F519-A522 WeakPolarHBondContact O-CB 3.38Å; F519-A522 PolarHBondContact O-N 3.06Å; D520-A522 PolarHBondContact O-N 3.2Å; A522-I525 PolarHBondContact O-N 3.32Å; A522-Y526 PolarHBondContact O-N 2.8Å; A522-I692 HydrophobicContact CB-CG2 3.76Å; A522-I696 HydrophobicContact CB-CD1 3.81Å; A522-I696 HydrophobicContact CB-CG1 3.74Å
523	K	91.8	Very high	90.3	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.096	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-48.1	173.5	-175.4	-172.7	-178.6	-72.4	0	111.2	F519 D520 I525 Y526 D527 F545 I548 E549 L552	F519-K523 PolarHBondContact O-N 3.4Å; D520-K523 WeakPolarHBondContact O-CB 3.49Å; D520-K523 PolarHBondContact O-N 2.92Å; K523-I525 VanDerWaalsContact C-N 3.27Å; K523-I525 PolarHBondContact O-N 3.42Å; K523-Y526 WeakPolarHBondContact O-CA 3.38Å; K523-Y526 WeakPolarHBondContact O-CB 3.36Å; K523-Y526 PolarHBondContact O-N 2.85Å; K523-D527 IonicContact NZ-OD1 3.57Å; K523-D527 IonicContact NZ-OD2 3.61Å; K523-D527 PolarHBondContact NZ-OD2 2.84Å; K523-D527 PolarHBondContact O-N 3.32Å; K523-F545 HydrophobicContact CB-CE1 4.45Å; K523-F545 HydrophobicContact CB-CZ 4.5Å; K523-I548 HydrophobicContact CB-CD1 4.28Å; K523-E549 VanDerWaalsContact CE-CD 3.46Å; K523-E549 WeakPolarHBondContact CE-OE2 3.34Å; K523-E549 IonicContact NZ-OE1 2.95Å; K523-E549 IonicContact NZ-OE2 2.81Å; K523-E549 PolarHBondContact NZ-OE2 3.22Å; K523-L552 HydrophobicContact CB-CD1 4.42Å; K523-L552 HydrophobicContact CD-CD1 4.16Å
524	H	91.2	Very high	89.6	Confident	80 Å²	80	42.7 Å²	42.7	37%	0.37	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-38.9	177.6	-71.8	143.9	0	0	0	112.7	D520 T521 Y526 I528	D520-H524 PolarHBondContact O-N 3.04Å; D520-H524 PolarHBondContact O-ND1 3.43Å; D520-H524 IonicContact OD1-CE1 3.25Å; D520-H524 IonicContact OD2-CE1 2.73Å; D520-H524 PolarHBondContact OD2-CE1 3Å; D520-H524 IonicContact OD2-ND1 3.39Å; D520-H524 PolarHBondContact OD2-ND1 3.17Å; T521-H524 PolarHBondContact O-N 3.35Å; H524-Y526 VanDerWaalsContact C-N 3.34Å; H524-I528 WeakPolarHBondContact O-CD1 3.35Å; H524-I528 VanDerWaalsContact O-CG1 3.25Å; H524-I528 WeakPolarHBondContact O-CG1 3.46Å; H524-I528 PolarHBondContact O-N 3.24Å
525	I	89.5	Confident	89	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-45.8	173.3	-68.7	167	0	0	0	110.3	T462 R465 L466 I469 T521 A522 K523 I528 I529 I696 L699	T462-I525 HydrophobicContact CG2-CG2 4.14Å; R465-I525 HydrophobicContact CB-CD1 3.86Å; R465-I525 HydrophobicContact CB-CG1 3.93Å; L466-I525 HydrophobicContact CD2-CD1 3.76Å; L466-I525 HydrophobicContact CG-CD1 4.19Å; I469-I525 HydrophobicContact CD1-CD1 3.89Å; T521-I525 HydrophobicContact CG2-CD1 4.34Å; T521-I525 WeakPolarHBondContact O-CG1 3.43Å; T521-I525 PolarHBondContact O-N 3.03Å; A522-I525 PolarHBondContact O-N 3.32Å; K523-I525 VanDerWaalsContact C-N 3.27Å; K523-I525 PolarHBondContact O-N 3.42Å; I525-I528 PolarHBondContact O-N 3.04Å; I525-I529 HydrophobicContact CG2-CD1 3.67Å; I525-I529 HydrophobicContact CG2-CG1 4.45Å; I525-I529 WeakPolarHBondContact O-CG1 3.43Å; I525-I529 PolarHBondContact O-N 3.36Å; I525-I696 HydrophobicContact CD1-CD1 4.43Å; I525-L699 HydrophobicContact CG2-CD2 3.47Å; I525-L699 VanDerWaalsContact CG2-CD2 3.47Å
526	Y	87.6	Confident	88.3	Confident	47 Å²	47	43.4 Å²	43.4	18%	0.184	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-47.6	178.1	176.7	-96.1	0	0	0	112.9	A522 K523 H524 I528 I529 S530 L537 F545	A522-Y526 PolarHBondContact O-N 2.8Å; K523-Y526 WeakPolarHBondContact O-CA 3.38Å; K523-Y526 WeakPolarHBondContact O-CB 3.36Å; K523-Y526 PolarHBondContact O-N 2.85Å; H524-Y526 VanDerWaalsContact C-N 3.34Å; Y526-I528 PolarHBondContact O-N 3.12Å; Y526-I528 VanDerWaalsContact O-N 3.12Å; Y526-I529 PolarHBondContact O-N 2.75Å; Y526-S530 WeakPolarHBondContact O-CB 3.46Å; Y526-S530 PolarHBondContact O-N 2.78Å; Y526-L537 HydrophobicContact CD2-CD2 3.73Å; Y526-L537 HydrophobicContact CE2-CD2 3.16Å; Y526-F545 HydrophobicContact CD1-CB 3.95Å; Y526-F545 AromaticContact CD1-CD1 3.97Å; Y526-F545 HydrophobicContact CD1-CD1 3.97Å; Y526-F545 HydrophobicContact CD1-CD2 4.49Å; Y526-F545 AromaticContact CD1-CG 3.94Å; Y526-F545 HydrophobicContact CD1-CG 3.94Å; Y526-F545 HydrophobicContact CD2-CB 3.34Å; Y526-F545 HydrophobicContact CD2-CD1 4.39Å; Y526-F545 AromaticContact CD2-CD2 3.55Å; Y526-F545 HydrophobicContact CD2-CD2 3.55Å; Y526-F545 HydrophobicContact CD2-CE2 4.38Å; Y526-F545 AromaticContact CD2-CG 3.55Å; Y526-F545 HydrophobicContact CD2-CG 3.55Å; Y526-F545 HydrophobicContact CE1-CB 3.73Å; Y526-F545 HydrophobicContact CE1-CD1 4.36Å; Y526-F545 HydrophobicContact CE1-CG 4.22Å; Y526-F545 HydrophobicContact CE2-CB 3.05Å; Y526-F545 HydrophobicContact CE2-CD2 4.19Å; Y526-F545 AromaticContact CE2-CG 3.84Å; Y526-F545 HydrophobicContact CE2-CG 3.84Å; Y526-F545 HydrophobicContact CG-CB 3.75Å; Y526-F545 AromaticContact CG-CD1 3.97Å; Y526-F545 HydrophobicContact CG-CD1 3.97Å; Y526-F545 AromaticContact CG-CD2 3.71Å; Y526-F545 HydrophobicContact CG-CD2 3.71Å; Y526-F545 HydrophobicContact CG-CE1 4.46Å; Y526-F545 HydrophobicContact CG-CE2 4.2Å; Y526-F545 AromaticContact CG-CG 3.58Å; Y526-F545 HydrophobicContact CG-CG 3.58Å
527	D	87.7	Confident	87.6	Confident	72 Å²	72	44.6 Å²	44.6	39%	0.385	23%	0.233	S	C	.	.	H	α-helix	trans	-58.6	-29.3	-179	-69.2	-20.3	0	0	0	111.8	K523 P531	K523-D527 IonicContact NZ-OD1 3.57Å; K523-D527 IonicContact NZ-OD2 3.61Å; K523-D527 PolarHBondContact NZ-OD2 2.84Å; K523-D527 PolarHBondContact O-N 3.32Å; D527-P531 WeakPolarHBondContact O-CD 3.31Å
528	I	86	Confident	86.9	Confident	36 Å²	36	40 Å²	40	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-82.6	-36	176.7	-63.7	170.3	0	0	0	111.7	F458 Y461 H524 I525 Y526 P531 R532	F458-I528 HydrophobicContact CD2-CG2 3.55Å; F458-I528 HydrophobicContact CE2-CB 4.29Å; F458-I528 HydrophobicContact CE2-CG2 3.5Å; Y461-I528 HydrophobicContact CD1-CD1 3.9Å; Y461-I528 HydrophobicContact CE1-CD1 3.17Å; H524-I528 WeakPolarHBondContact O-CD1 3.35Å; H524-I528 VanDerWaalsContact O-CG1 3.25Å; H524-I528 WeakPolarHBondContact O-CG1 3.46Å; H524-I528 PolarHBondContact O-N 3.24Å; I525-I528 PolarHBondContact O-N 3.04Å; Y526-I528 PolarHBondContact O-N 3.12Å; Y526-I528 VanDerWaalsContact O-N 3.12Å; I528-P531 WeakPolarHBondContact O-CD 3.38Å; I528-R532 WeakPolarHBondContact O-CD 3.49Å; I528-R532 PolarHBondContact O-NH1 3.34Å
529	I	83.1	Confident	86.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-40.6	176.4	-70.9	168.2	0	0	0	111.5	F458 I525 Y526 R532 S533 L536 L537 L540 L699	F458-I529 HydrophobicContact CE1-CG1 4.23Å; F458-I529 HydrophobicContact CE2-CG1 3.72Å; F458-I529 HydrophobicContact CZ-CB 4.47Å; F458-I529 HydrophobicContact CZ-CD1 3.94Å; F458-I529 HydrophobicContact CZ-CG1 3.22Å; I525-I529 HydrophobicContact CG2-CD1 3.67Å; I525-I529 HydrophobicContact CG2-CG1 4.45Å; I525-I529 WeakPolarHBondContact O-CG1 3.43Å; I525-I529 PolarHBondContact O-N 3.36Å; Y526-I529 PolarHBondContact O-N 2.75Å; I529-R532 PolarHBondContact O-N 2.63Å; I529-S533 PolarHBondContact O-N 3.06Å; I529-L536 HydrophobicContact CD1-CD2 4.19Å; I529-L536 HydrophobicContact CG1-CD2 4.28Å; I529-L536 HydrophobicContact CG2-CB 4.28Å; I529-L536 HydrophobicContact CG2-CD2 3.78Å; I529-L536 HydrophobicContact CG2-CG 4.08Å; I529-L537 HydrophobicContact CB-CD2 4.39Å; I529-L537 HydrophobicContact CG2-CD2 3.71Å; I529-L537 HydrophobicContact CG2-CG 4.04Å; I529-L540 HydrophobicContact CD1-CD1 3.97Å; I529-L699 HydrophobicContact CD1-CD1 4Å; I529-L699 HydrophobicContact CD1-CD2 3.6Å; I529-L699 HydrophobicContact CD1-CG 4.46Å
530	S	82.4	Confident	85.2	Confident	53 Å²	53	42 Å²	42	37%	0.371	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-49.5	-172.5	-176.3	0	0	0	0	114.5	Y526 R532 L537	Y526-S530 WeakPolarHBondContact O-CB 3.46Å; Y526-S530 PolarHBondContact O-N 2.78Å; S530-R532 VanDerWaalsContact C-N 3.31Å; S530-R532 PolarHBondContact O-N 3.1Å; S530-L537 WeakPolarHBondContact O-CD1 3.41Å
531	P	83.1	Confident	83.8	Confident	104 Å²	104	40.8 Å²	40.8	68%	0.675	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.7	177.8	29.6	-36.2	0	0	0	115.1	D527 I528	D527-P531 WeakPolarHBondContact O-CD 3.31Å; I528-P531 WeakPolarHBondContact O-CD 3.38Å
532	R	80.5	Confident	82.2	Confident	135 Å²	135	50 Å²	50	51%	0.509	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-39.6	-167.8	-70	-179.5	170.8	78.1	-2.5	114.9	L455 I528 I529 S530	L455-R532 HydrophobicContact CD1-CB 4.34Å; I528-R532 WeakPolarHBondContact O-CD 3.49Å; I528-R532 PolarHBondContact O-NH1 3.34Å; I529-R532 PolarHBondContact O-N 2.63Å; S530-R532 VanDerWaalsContact C-N 3.31Å; S530-R532 PolarHBondContact O-N 3.1Å
533	S	79.6	Confident	80.5	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.07	31%	0.309	C	S	.	.			trans	-148.5	106.9	178.6	178.9	0	0	0	0	111.5	D451 I529 L535 L536 L537	D451-S533 PolarHBondContact OD2-OG 3.33Å; I529-S533 PolarHBondContact O-N 3.06Å; S533-L535 PolarHBondContact O-N 3.12Å; S533-L536 PolarHBondContact O-N 3.38Å; S533-L536 PolarHBondContact OG-N 3.36Å; S533-L536 VanDerWaalsContact OG-N 3.14Å; S533-L537 WeakPolarHBondContact O-CG 3.38Å; S533-L537 PolarHBondContact O-N 2.98Å
534	S	80.1	Confident	79.4	Confident	104 Å²	104	56.1 Å²	56.1	73%	0.727	33%	0.331	S	S	*	.	H	α-helix	trans	-65.3	-29.6	174	55.8	0	0	0	0	112.5	G538	S534-G538 PolarHBondContact O-N 3.26Å
535	L	82.8	Confident	78.7	Confident	46 Å²	46	53.6 Å²	53.6	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-47.2	174.7	177.2	67.5	0	0	0	111.2	E444 K447 S533 L537 G538 L539	E444-L535 HydrophobicContact CB-CD1 4.29Å; E444-L535 HydrophobicContact CG-CD1 4.2Å; K447-L535 HydrophobicContact CB-CD2 3.3Å; K447-L535 HydrophobicContact CD-CD2 4.09Å; K447-L535 HydrophobicContact CG-CD2 4.37Å; S533-L535 PolarHBondContact O-N 3.12Å; L535-L537 VanDerWaalsContact C-N 3.3Å; L535-L537 PolarHBondContact O-N 3Å; L535-G538 PolarHBondContact O-N 2.67Å; L535-L539 HydrophobicContact CG-CD1 4.38Å; L535-L539 PolarHBondContact O-N 2.73Å
536	L	82	Confident	78.5	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-47.7	177.4	-173.6	60.1	0	0	0	109.4	A448 L452 I529 S533 G538 L539 L540 L699 L702	A448-L536 HydrophobicContact CB-CD1 4.18Å; L452-L536 HydrophobicContact CD2-CD2 3.96Å; L452-L536 HydrophobicContact CG-CD2 4.48Å; I529-L536 HydrophobicContact CD1-CD2 4.19Å; I529-L536 HydrophobicContact CG1-CD2 4.28Å; I529-L536 HydrophobicContact CG2-CB 4.28Å; I529-L536 HydrophobicContact CG2-CD2 3.78Å; I529-L536 HydrophobicContact CG2-CG 4.08Å; S533-L536 PolarHBondContact O-N 3.38Å; S533-L536 PolarHBondContact OG-N 3.36Å; S533-L536 VanDerWaalsContact OG-N 3.14Å; L536-G538 VanDerWaalsContact C-N 3.33Å; L536-G538 PolarHBondContact O-N 3.23Å; L536-L539 PolarHBondContact O-N 3.11Å; L536-L540 HydrophobicContact CD1-CD1 4.5Å; L536-L540 HydrophobicContact CD1-CD2 4.27Å; L536-L540 HydrophobicContact CD1-CG 4.28Å; L536-L540 HydrophobicContact CG-CD1 4.12Å; L536-L540 HydrophobicContact CG-CG 4.27Å; L536-L540 VanDerWaalsContact O-CG 3.24Å; L536-L540 WeakPolarHBondContact O-CG 3.47Å; L536-L540 PolarHBondContact O-N 3.39Å; L536-L699 HydrophobicContact CD1-CD1 4.28Å; L536-L699 HydrophobicContact CD2-CD1 4.04Å; L536-L702 HydrophobicContact CD1-CD1 3.9Å
537	L	80.1	Confident	78.6	Confident	30 Å²	30	57.6 Å²	57.6	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-53.4	-46.7	175.2	-66.4	171.7	0	0	0	113.4	Y526 I529 S530 S533 L535 L539 L540 G541	Y526-L537 HydrophobicContact CD2-CD2 3.73Å; Y526-L537 HydrophobicContact CE2-CD2 3.16Å; I529-L537 HydrophobicContact CB-CD2 4.39Å; I529-L537 HydrophobicContact CG2-CD2 3.71Å; I529-L537 HydrophobicContact CG2-CG 4.04Å; S530-L537 WeakPolarHBondContact O-CD1 3.41Å; S533-L537 WeakPolarHBondContact O-CG 3.38Å; S533-L537 PolarHBondContact O-N 2.98Å; L535-L537 VanDerWaalsContact C-N 3.3Å; L535-L537 PolarHBondContact O-N 3Å; L537-L539 VanDerWaalsContact C-N 3.28Å; L537-L539 PolarHBondContact O-N 3.4Å; L537-L540 PolarHBondContact O-N 3.29Å; L537-G541 PolarHBondContact O-N 3.13Å; L537-G541 VanDerWaalsContact O-N 3.16Å
538	G	81	Confident	78.8	Confident	44 Å²	44	54.3 Å²	54.3	45%	0.454	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-29.3	178.8	0	0	0	0	0	113.8	S534 L535 L536 G541	S534-G538 PolarHBondContact O-N 3.26Å; L535-G538 PolarHBondContact O-N 2.67Å; L536-G538 VanDerWaalsContact C-N 3.33Å; L536-G538 PolarHBondContact O-N 3.23Å; G538-G541 CarbonylContact C-O 3.48Å
539	L	79.6	Confident	79.1	Confident	35 Å²	35	58 Å²	58	18%	0.183	34%	0.344	C	S	.	.	H	α-helix	trans	-79.6	-31.7	174.3	-71.7	173.3	0	0	0	112.7	E444 A448 L535 L536 L537 K698	E444-L539 HydrophobicContact CB-CD1 4.32Å; E444-L539 HydrophobicContact CB-CD2 4.08Å; A448-L539 HydrophobicContact CB-CD1 3.61Å; L535-L539 HydrophobicContact CG-CD1 4.38Å; L535-L539 PolarHBondContact O-N 2.73Å; L536-L539 PolarHBondContact O-N 3.11Å; L537-L539 VanDerWaalsContact C-N 3.28Å; L537-L539 PolarHBondContact O-N 3.4Å; L539-K698 WeakPolarHBondContact O-CD 3.38Å
540	L	78.7	Confident	79.7	Confident	10 Å²	10	61.2 Å²	61.2	5%	0.052	37%	0.371	C	S	.	.	H	α-helix	trans	-74.1	-31.5	-179.3	-64	-173	0	0	0	112.2	I529 L536 L537 S695 K698 L699	I529-L540 HydrophobicContact CD1-CD1 3.97Å; L536-L540 HydrophobicContact CD1-CD1 4.5Å; L536-L540 HydrophobicContact CD1-CD2 4.27Å; L536-L540 HydrophobicContact CD1-CG 4.28Å; L536-L540 HydrophobicContact CG-CD1 4.12Å; L536-L540 HydrophobicContact CG-CG 4.27Å; L536-L540 VanDerWaalsContact O-CG 3.24Å; L536-L540 WeakPolarHBondContact O-CG 3.47Å; L536-L540 PolarHBondContact O-N 3.39Å; L537-L540 PolarHBondContact O-N 3.29Å; L540-S695 WeakPolarHBondContact CD2-O 3.45Å; L540-S695 VanDerWaalsContact O-CA 3.31Å; L540-S695 WeakPolarHBondContact O-CA 3.46Å; L540-S695 VanDerWaalsContact O-CB 3.26Å; L540-S695 WeakPolarHBondContact O-CB 3.41Å; L540-S695 PolarHBondContact O-OG 3.19Å; L540-K698 HydrophobicContact CD2-CB 3.96Å; L540-L699 HydrophobicContact CD1-CB 4.22Å; L540-L699 HydrophobicContact CD1-CD1 4.34Å; L540-L699 HydrophobicContact CD2-CB 3.69Å
541	G	64.7	Low	80.3	Confident	13 Å²	13	60 Å²	60	13%	0.134	36%	0.36	C	S	.	.	S	Bend	trans	-149.5	152.3	175.8	0	0	0	0	0	111.3	L537 G538 G543	L537-G541 PolarHBondContact O-N 3.13Å; L537-G541 VanDerWaalsContact O-N 3.16Å; G538-G541 CarbonylContact C-O 3.48Å; G541-G543 PolarHBondContact O-N 3.33Å
542	Q	62.4	Low	80.9	Confident	203 Å²	203	55.2 Å²	55.2	95%	0.949	33%	0.328	S	S	*	.	S	Bend	trans	-63.2	60.2	178.8	-66.3	-178.7	-11.5	0	0	112.9
543	G	56.7	Low	81.6	Confident	68 Å²	68	53.6 Å²	53.6	70%	0.701	33%	0.329	S	S	*	.	S	Bend	trans	101.9	-19.1	179.2	0	0	0	0	0	116.1	G541	G541-G543 PolarHBondContact O-N 3.33Å
544	S	68.3	Low	82.3	Confident	82 Å²	82	56.1 Å²	56.1	57%	0.573	34%	0.339	S	S	*	.	S	Bend	trans	-165.9	154.6	174.5	60.5	0	0	0	0	114.1
545	F	77	Confident	83.1	Confident	27 Å²	27	51.1 Å²	51.1	12%	0.118	30%	0.304	C	S	.	.			trans	-75.8	137.3	165.2	-175.3	-91.4	0	0	0	109.7	K523 Y526 D547 I548 I692	K523-F545 HydrophobicContact CB-CE1 4.45Å; K523-F545 HydrophobicContact CB-CZ 4.5Å; Y526-F545 HydrophobicContact CD1-CB 3.95Å; Y526-F545 AromaticContact CD1-CD1 3.97Å; Y526-F545 HydrophobicContact CD1-CD1 3.97Å; Y526-F545 HydrophobicContact CD1-CD2 4.49Å; Y526-F545 AromaticContact CD1-CG 3.94Å; Y526-F545 HydrophobicContact CD1-CG 3.94Å; Y526-F545 HydrophobicContact CD2-CB 3.34Å; Y526-F545 HydrophobicContact CD2-CD1 4.39Å; Y526-F545 AromaticContact CD2-CD2 3.55Å; Y526-F545 HydrophobicContact CD2-CD2 3.55Å; Y526-F545 HydrophobicContact CD2-CE2 4.38Å; Y526-F545 AromaticContact CD2-CG 3.55Å; Y526-F545 HydrophobicContact CD2-CG 3.55Å; Y526-F545 HydrophobicContact CE1-CB 3.73Å; Y526-F545 HydrophobicContact CE1-CD1 4.36Å; Y526-F545 HydrophobicContact CE1-CG 4.22Å; Y526-F545 HydrophobicContact CE2-CB 3.05Å; Y526-F545 HydrophobicContact CE2-CD2 4.19Å; Y526-F545 AromaticContact CE2-CG 3.84Å; Y526-F545 HydrophobicContact CE2-CG 3.84Å; Y526-F545 HydrophobicContact CG-CB 3.75Å; Y526-F545 AromaticContact CG-CD1 3.97Å; Y526-F545 HydrophobicContact CG-CD1 3.97Å; Y526-F545 AromaticContact CG-CD2 3.71Å; Y526-F545 HydrophobicContact CG-CD2 3.71Å; Y526-F545 HydrophobicContact CG-CE1 4.46Å; Y526-F545 HydrophobicContact CG-CE2 4.2Å; Y526-F545 AromaticContact CG-CG 3.58Å; Y526-F545 HydrophobicContact CG-CG 3.58Å; F545-D547 PolarHBondContact O-N 2.84Å; F545-I548 HydrophobicContact CE1-CD1 4.09Å; F545-I548 HydrophobicContact CE1-CG1 4.05Å; F545-I548 HydrophobicContact CZ-CD1 4.35Å; F545-I692 HydrophobicContact CD2-CG1 4.3Å; F545-I692 HydrophobicContact CE1-CD1 4.06Å; F545-I692 HydrophobicContact CE1-CG1 4.21Å; F545-I692 HydrophobicContact CE2-CB 4.3Å; F545-I692 HydrophobicContact CE2-CD1 4.39Å; F545-I692 HydrophobicContact CE2-CG1 3.77Å; F545-I692 HydrophobicContact CE2-CG2 3.83Å; F545-I692 HydrophobicContact CZ-CB 4.45Å; F545-I692 HydrophobicContact CZ-CD1 3.81Å; F545-I692 HydrophobicContact CZ-CG1 3.71Å; F545-I692 HydrophobicContact CZ-CG2 3.93Å
546	P	85.8	Confident	83.6	Confident	16 Å²	16	52.2 Å²	52.2	10%	0.104	31%	0.308	C	S	.	.			trans	-58.8	133.8	179.1	-23.2	33.7	0	0	0	111.8	I548 K688 R691 I692	P546-I548 HydrophobicContact CB-CG2 4.33Å; P546-I548 PolarHBondContact O-N 3.22Å; P546-K688 HydrophobicContact CB-CB 3.91Å; P546-K688 HydrophobicContact CB-CG 4.14Å; P546-R691 HydrophobicContact CG-CB 3.77Å; P546-I692 HydrophobicContact CG-CG1 4.03Å
547	D	88.2	Confident	84.2	Confident	116 Å²	116	55.7 Å²	55.7	62%	0.62	33%	0.33	S	S	*	.			trans	-70.1	114.9	170.7	179.9	14.7	0	0	0	110	F545 E549 K688	F545-D547 PolarHBondContact O-N 2.84Å; D547-E549 PolarHBondContact OD1-N 3.3Å; D547-E549 VanDerWaalsContact OD1-N 3.12Å; D547-K688 PolarHBondContact O-NZ 3.23Å
548	I	92.5	Very high	84.9	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	32%	0.323	C	S	.	.			trans	-125.9	6.6	-178.4	59	160.8	0	0	0	112.1	F519 K523 F545 P546 D551 L552 K688 W689 I692	F519-I548 HydrophobicContact CB-CD1 4.47Å; K523-I548 HydrophobicContact CB-CD1 4.28Å; F545-I548 HydrophobicContact CE1-CD1 4.09Å; F545-I548 HydrophobicContact CE1-CG1 4.05Å; F545-I548 HydrophobicContact CZ-CD1 4.35Å; P546-I548 HydrophobicContact CB-CG2 4.33Å; P546-I548 PolarHBondContact O-N 3.22Å; I548-D551 PolarHBondContact O-N 2.88Å; I548-L552 HydrophobicContact CD1-CD1 3.59Å; I548-L552 HydrophobicContact CD1-CG 4.03Å; I548-L552 HydrophobicContact CG1-CD1 4.1Å; I548-L552 HydrophobicContact CG1-CG 4.41Å; I548-L552 WeakPolarHBondContact O-CB 3.29Å; I548-L552 WeakPolarHBondContact O-CG 3.3Å; I548-L552 PolarHBondContact O-N 2.83Å; I548-K688 HydrophobicContact CG2-CB 4.18Å; I548-K688 HydrophobicContact CG2-CD 4.16Å; I548-W689 HydrophobicContact CB-CH2 4.03Å; I548-W689 HydrophobicContact CB-CZ3 3.72Å; I548-W689 HydrophobicContact CD1-CZ3 3.87Å; I548-W689 HydrophobicContact CG1-CZ3 4.43Å; I548-W689 HydrophobicContact CG2-CE3 4.09Å; I548-W689 HydrophobicContact CG2-CH2 4.01Å; I548-W689 HydrophobicContact CG2-CZ3 3.49Å; I548-W689 VanDerWaalsContact CG2-CZ3 3.49Å; I548-I692 HydrophobicContact CB-CD1 4.48Å; I548-I692 HydrophobicContact CD1-CD1 3.57Å; I548-I692 HydrophobicContact CG1-CD1 4.16Å; I548-I692 HydrophobicContact CG2-CD1 3.64Å
549	E	93.1	Very high	85.6	Confident	114 Å²	114	52.6 Å²	52.6	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-47.6	-171.4	-173.7	146.7	-172.3	0	0	111.7	K523 D547 D551 L552 L553	K523-E549 VanDerWaalsContact CE-CD 3.46Å; K523-E549 WeakPolarHBondContact CE-OE2 3.34Å; K523-E549 IonicContact NZ-OE1 2.95Å; K523-E549 IonicContact NZ-OE2 2.81Å; K523-E549 PolarHBondContact NZ-OE2 3.22Å; D547-E549 PolarHBondContact OD1-N 3.3Å; D547-E549 VanDerWaalsContact OD1-N 3.12Å; E549-D551 VanDerWaalsContact C-N 3.31Å; E549-D551 PolarHBondContact O-N 3.36Å; E549-L552 PolarHBondContact O-N 3.48Å; E549-L553 WeakPolarHBondContact O-CB 3.48Å; E549-L553 PolarHBondContact O-N 2.89Å
550	A	94.7	Very high	86.3	Confident	70 Å²	70	55.1 Å²	55.1	58%	0.579	32%	0.316	S	S	*	.	H	α-helix	trans	-63.3	-38.7	174.8	0	0	0	0	0	112.2	F554	A550-F554 WeakPolarHBondContact O-CB 3.47Å; A550-F554 PolarHBondContact O-N 3.31Å
551	D	95.7	Very high	87	Confident	26 Å²	26	57 Å²	57	14%	0.139	33%	0.325	C	S	.	.	H	α-helix	trans	-66.8	-45.8	179.7	-67.1	-44.6	0	0	0	111	I548 E549 F554 F555 R685 K688 W689	I548-D551 PolarHBondContact O-N 2.88Å; E549-D551 VanDerWaalsContact C-N 3.31Å; E549-D551 PolarHBondContact O-N 3.36Å; D551-F554 WeakPolarHBondContact O-CB 3.48Å; D551-F554 PolarHBondContact O-N 3.44Å; D551-F555 WeakPolarHBondContact O-CD2 3.1Å; D551-F555 PolarHBondContact O-N 3.24Å; D551-R685 VanDerWaalsContact CG-CD 3.47Å; D551-R685 VanDerWaalsContact OD1-CD 3.3Å; D551-R685 WeakPolarHBondContact OD1-CD 3.09Å; D551-R685 IonicContact OD1-CZ 2.66Å; D551-R685 IonicContact OD1-NE 3.89Å; D551-R685 PolarHBondContact OD1-NE 3.4Å; D551-K688 IonicContact OD2-NZ 3.95Å; D551-K688 PolarHBondContact OD2-NZ 2.94Å; D551-W689 HydrophobicContact CB-CH2 4Å; D551-W689 HydrophobicContact CB-CZ2 4.25Å
552	L	94.6	Very high	88.3	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-47.2	175.7	-79.4	179.3	0	0	0	111.6	I516 F519 D520 K523 I548 E549 F554 F555 Q556 W689	I516-L552 HydrophobicContact CG2-CD2 4.35Å; F519-L552 HydrophobicContact CB-CD2 3.91Å; D520-L552 HydrophobicContact CB-CD1 4.35Å; K523-L552 HydrophobicContact CB-CD1 4.42Å; K523-L552 HydrophobicContact CD-CD1 4.16Å; I548-L552 HydrophobicContact CD1-CD1 3.59Å; I548-L552 HydrophobicContact CD1-CG 4.03Å; I548-L552 HydrophobicContact CG1-CD1 4.1Å; I548-L552 HydrophobicContact CG1-CG 4.41Å; I548-L552 WeakPolarHBondContact O-CB 3.29Å; I548-L552 WeakPolarHBondContact O-CG 3.3Å; I548-L552 PolarHBondContact O-N 2.83Å; E549-L552 PolarHBondContact O-N 3.48Å; L552-F554 VanDerWaalsContact C-N 3.25Å; L552-F554 PolarHBondContact O-N 3Å; L552-F555 PolarHBondContact O-N 2.94Å; L552-F555 VanDerWaalsContact O-N 3.16Å; L552-Q556 VanDerWaalsContact O-CB 3.32Å; L552-Q556 WeakPolarHBondContact O-CB 3.4Å; L552-Q556 VanDerWaalsContact O-CG 3.23Å; L552-Q556 WeakPolarHBondContact O-CG 3.32Å; L552-Q556 PolarHBondContact O-N 2.81Å; L552-W689 HydrophobicContact CD2-CH2 4.44Å
553	L	95.3	Very high	89.8	Confident	101 Å²	101	59.1 Å²	59.1	53%	0.529	33%	0.33	S	S	.	.	H	α-helix	trans	-58.8	-41	179.5	-178.3	63.2	0	0	0	111.2	E549 Q556 T557	E549-L553 WeakPolarHBondContact O-CB 3.48Å; E549-L553 PolarHBondContact O-N 2.89Å; L553-Q556 PolarHBondContact O-N 3.29Å; L553-T557 HydrophobicContact CD1-CG2 3.91Å; L553-T557 WeakPolarHBondContact O-CB 3.37Å; L553-T557 WeakPolarHBondContact O-CG2 3.41Å; L553-T557 PolarHBondContact O-N 2.91Å; L553-T557 PolarHBondContact O-OG1 3.08Å
554	F	96	Very high	91.4	Very high	63 Å²	63	56 Å²	56	28%	0.276	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-53.2	174.4	171.5	-100.7	0	0	0	111.5	A550 D551 L552 Q556 T557 S558 V576 D681	A550-F554 WeakPolarHBondContact O-CB 3.47Å; A550-F554 PolarHBondContact O-N 3.31Å; D551-F554 WeakPolarHBondContact O-CB 3.48Å; D551-F554 PolarHBondContact O-N 3.44Å; L552-F554 VanDerWaalsContact C-N 3.25Å; L552-F554 PolarHBondContact O-N 3Å; F554-Q556 PolarHBondContact O-N 3.17Å; F554-T557 PolarHBondContact O-N 3.43Å; F554-T557 PolarHBondContact O-OG1 3.43Å; F554-S558 WeakPolarHBondContact O-CA 3.43Å; F554-S558 WeakPolarHBondContact O-CB 3.3Å; F554-S558 PolarHBondContact O-N 2.95Å; F554-V576 HydrophobicContact CE2-CG2 4.47Å; F554-V576 HydrophobicContact CZ-CG1 4.16Å; F554-D681 WeakPolarHBondContact CE1-OD2 3.46Å
555	F	95.8	Very high	92.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.9	-32.7	-178.5	-69.5	-66.2	0	0	0	113.4	F512 I516 D551 L552 T557 S558 H561 D681 F682 R685	F512-F555 HydrophobicContact CZ-CD1 4.08Å; I516-F555 HydrophobicContact CD1-CB 3.9Å; I516-F555 HydrophobicContact CG1-CB 4.34Å; D551-F555 WeakPolarHBondContact O-CD2 3.1Å; D551-F555 PolarHBondContact O-N 3.24Å; L552-F555 PolarHBondContact O-N 2.94Å; L552-F555 VanDerWaalsContact O-N 3.16Å; F555-T557 VanDerWaalsContact C-N 3.29Å; F555-T557 PolarHBondContact O-N 3.1Å; F555-S558 PolarHBondContact O-OG 3.05Å; F555-H561 PolarHBondContact O-NE2 2.75Å; F555-D681 HydrophobicContact CZ-CB 4.45Å; F555-F682 HydrophobicContact CD1-CD2 4.25Å; F555-F682 AromaticContact CD2-CD2 3.61Å; F555-F682 HydrophobicContact CD2-CD2 3.61Å; F555-F682 HydrophobicContact CD2-CE2 4.09Å; F555-F682 HydrophobicContact CE1-CB 4.01Å; F555-F682 HydrophobicContact CE1-CD2 4.2Å; F555-F682 HydrophobicContact CE2-CB 4.28Å; F555-F682 AromaticContact CE2-CD2 3.57Å; F555-F682 HydrophobicContact CE2-CD2 3.57Å; F555-F682 HydrophobicContact CE2-CE2 4.34Å; F555-F682 HydrophobicContact CE2-CG 4.33Å; F555-F682 AromaticContact CG-CD2 3.98Å; F555-F682 HydrophobicContact CG-CD2 3.98Å; F555-F682 VanDerWaalsContact CZ-CA 3.45Å; F555-F682 HydrophobicContact CZ-CB 3.77Å; F555-F682 AromaticContact CZ-CD2 3.89Å; F555-F682 HydrophobicContact CZ-CD2 3.89Å; F555-F682 HydrophobicContact CZ-CG 4.31Å; F555-R685 VanDerWaalsContact CZ-NH1 3.33Å
556	Q	94.2	Very high	93.1	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-31.6	174.3	-73.8	172.7	-12.3	0	0	112.7	I516 D520 L552 L553 F554 H561	I516-Q556 HydrophobicContact CG2-CG 3.88Å; D520-Q556 PolarHBondContact OD1-NE2 3.32Å; D520-Q556 VanDerWaalsContact OD1-NE2 3.1Å; L552-Q556 VanDerWaalsContact O-CB 3.32Å; L552-Q556 WeakPolarHBondContact O-CB 3.4Å; L552-Q556 VanDerWaalsContact O-CG 3.23Å; L552-Q556 WeakPolarHBondContact O-CG 3.32Å; L552-Q556 PolarHBondContact O-N 2.81Å; L553-Q556 PolarHBondContact O-N 3.29Å; F554-Q556 PolarHBondContact O-N 3.17Å; Q556-H561 PolarHBondContact O-NE2 3.23Å
557	T	94.8	Very high	93.3	Very high	77 Å²	77	60.7 Å²	60.7	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-106.4	-3.4	-177.3	60.7	0	0	0	0	114.1	L553 F554 F555 F559 N573	L553-T557 HydrophobicContact CD1-CG2 3.91Å; L553-T557 WeakPolarHBondContact O-CB 3.37Å; L553-T557 WeakPolarHBondContact O-CG2 3.41Å; L553-T557 PolarHBondContact O-N 2.91Å; L553-T557 PolarHBondContact O-OG1 3.08Å; F554-T557 PolarHBondContact O-N 3.43Å; F554-T557 PolarHBondContact O-OG1 3.43Å; F555-T557 VanDerWaalsContact C-N 3.29Å; F555-T557 PolarHBondContact O-N 3.1Å; T557-F559 VanDerWaalsContact C-N 3.32Å; T557-F559 PolarHBondContact O-N 3.29Å; T557-N573 PolarHBondContact O-ND2 2.86Å
558	S	94.4	Very high	93.4	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.014	29%	0.291	C	S	.	.	S	Bend	trans	-66.8	-27.4	-175.5	59	0	0	0	0	114.4	F554 F555 P572 N573	F554-S558 WeakPolarHBondContact O-CA 3.43Å; F554-S558 WeakPolarHBondContact O-CB 3.3Å; F554-S558 PolarHBondContact O-N 2.95Å; F555-S558 PolarHBondContact O-OG 3.05Å; S558-P572 WeakPolarHBondContact O-CA 3.41Å; S558-N573 PolarHBondContact O-N 3.44Å
559	F	95	Very high	93.3	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.026	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-158.8	169.1	177.7	58.6	-88.4	0	0	0	110.9	F512 L513 T557 H561 A564 I570 I571 L678	F512-F559 HydrophobicContact CD1-CZ 4.23Å; F512-F559 HydrophobicContact CE1-CE1 4.11Å; F512-F559 HydrophobicContact CE1-CZ 4.09Å; L513-F559 HydrophobicContact CD2-CE2 4.26Å; L513-F559 HydrophobicContact CD2-CZ 4.22Å; T557-F559 VanDerWaalsContact C-N 3.32Å; T557-F559 PolarHBondContact O-N 3.29Å; F559-H561 AromaticContact CD2-CD2 3.72Å; F559-H561 AromaticContact CE2-CD2 3.43Å; F559-H561 VanDerWaalsContact CE2-CD2 3.43Å; F559-H561 WeakPolarHBondContact CE2-CD2 3.43Å; F559-H561 AromaticContact CZ-CD2 3.78Å; F559-H561 AromaticContact CZ-NE2 3.94Å; F559-H561 PolarHBondContact O-CD2 3.46Å; F559-H561 VanDerWaalsContact O-CD2 3.26Å; F559-H561 PolarHBondContact O-N 3.46Å; F559-A564 HydrophobicContact CD2-CB 3.72Å; F559-A564 HydrophobicContact CE2-CB 3.79Å; F559-I570 HydrophobicContact CB-CG2 3.73Å; F559-I570 HydrophobicContact CD1-CG2 3.77Å; F559-I570 HydrophobicContact CD2-CG1 4.4Å; F559-I570 HydrophobicContact CD2-CG2 4.06Å; F559-I570 HydrophobicContact CE1-CD1 4.2Å; F559-I570 HydrophobicContact CE1-CG2 4.44Å; F559-I570 HydrophobicContact CE2-CD1 4.45Å; F559-I570 HydrophobicContact CE2-CG1 4.33Å; F559-I570 HydrophobicContact CG-CG2 3.59Å; F559-I570 HydrophobicContact CZ-CD1 4.16Å; F559-I571 WeakPolarHBondContact CB-O 3.46Å; F559-L678 HydrophobicContact CD1-CD1 4.15Å; F559-L678 HydrophobicContact CE1-CD1 4.26Å
560	D	94.8	Very high	93.2	Very high	88 Å²	88	53 Å²	53	47%	0.471	29%	0.286	S	S	.	.			trans	-74.8	107.2	173.4	-177.1	-25.6	0	0	0	110.7	E562 K563 A564	D560-E562 PolarHBondContact OD1-N 3.21Å; D560-E562 VanDerWaalsContact OD1-N 3.14Å; D560-K563 HydrophobicContact CB-CB 3.98Å; D560-K563 VanDerWaalsContact CG-CB 3.41Å; D560-K563 WeakPolarHBondContact OD1-CB 3.46Å; D560-K563 PolarHBondContact OD1-N 2.76Å; D560-K563 WeakPolarHBondContact OD2-CB 3.49Å; D560-A564 WeakPolarHBondContact O-CB 3.17Å; D560-A564 PolarHBondContact O-N 2.8Å
561	H	93.8	Very high	93.1	Very high	51 Å²	51	53.6 Å²	53.6	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-41.7	-175.9	-71	-167.9	0	0	0	113.1	L513 F555 Q556 F559 A565	L513-H561 HydrophobicContact CD1-CB 4.33Å; L513-H561 HydrophobicContact CD2-CB 3.91Å; L513-H561 VanDerWaalsContact CD2-CG 3.48Å; L513-H561 WeakPolarHBondContact CD2-ND1 3.35Å; F555-H561 PolarHBondContact O-NE2 2.75Å; Q556-H561 PolarHBondContact O-NE2 3.23Å; F559-H561 AromaticContact CD2-CD2 3.72Å; F559-H561 AromaticContact CE2-CD2 3.43Å; F559-H561 VanDerWaalsContact CE2-CD2 3.43Å; F559-H561 WeakPolarHBondContact CE2-CD2 3.43Å; F559-H561 AromaticContact CZ-CD2 3.78Å; F559-H561 AromaticContact CZ-NE2 3.94Å; F559-H561 PolarHBondContact O-CD2 3.46Å; F559-H561 VanDerWaalsContact O-CD2 3.26Å; F559-H561 PolarHBondContact O-N 3.46Å; H561-A565 WeakPolarHBondContact O-CB 3.45Å; H561-A565 PolarHBondContact O-N 2.93Å
562	E	91.8	Very high	93	Very high	155 Å²	155	52.9 Å²	52.9	72%	0.724	28%	0.275	S	S	*	.	H	α-helix	trans	-67.8	-46	-178.4	-72.4	-167.6	167.8	0	0	110.6	D560 A565 N566	D560-E562 PolarHBondContact OD1-N 3.21Å; D560-E562 VanDerWaalsContact OD1-N 3.14Å; E562-A565 PolarHBondContact O-N 2.89Å; E562-N566 WeakPolarHBondContact O-CB 3.34Å; E562-N566 PolarHBondContact O-N 3.04Å; E562-N566 VanDerWaalsContact O-N 3.09Å; E562-N566 PolarHBondContact O-ND2 3.35Å; E562-N566 VanDerWaalsContact O-ND2 3.12Å
563	K	92.5	Very high	92.9	Very high	105 Å²	105	56.6 Å²	56.6	46%	0.457	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-44.5	177.2	-171.4	176.3	-178.8	179.9	0	111.4	D560 A565 N566 D567	D560-K563 HydrophobicContact CB-CB 3.98Å; D560-K563 VanDerWaalsContact CG-CB 3.41Å; D560-K563 WeakPolarHBondContact OD1-CB 3.46Å; D560-K563 PolarHBondContact OD1-N 2.76Å; D560-K563 WeakPolarHBondContact OD2-CB 3.49Å; K563-A565 PolarHBondContact O-N 3.4Å; K563-N566 PolarHBondContact O-N 3.46Å; K563-D567 WeakPolarHBondContact CE-OD2 3.39Å; K563-D567 VanDerWaalsContact CG-OD2 3.32Å; K563-D567 WeakPolarHBondContact CG-OD2 3.29Å; K563-D567 WeakPolarHBondContact O-CB 3.15Å; K563-D567 PolarHBondContact O-N 2.9Å
564	A	91.5	Very high	92.6	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-43.8	178.7	0	0	0	0	0	112	L509 F559 D560 N566 G568 V569 I570	L509-A564 HydrophobicContact CD1-CB 4.36Å; L509-A564 WeakPolarHBondContact CD1-O 3.45Å; F559-A564 HydrophobicContact CD2-CB 3.72Å; F559-A564 HydrophobicContact CE2-CB 3.79Å; D560-A564 WeakPolarHBondContact O-CB 3.17Å; D560-A564 PolarHBondContact O-N 2.8Å; A564-N566 VanDerWaalsContact C-N 3.33Å; A564-N566 PolarHBondContact O-N 3.15Å; A564-G568 WeakPolarHBondContact O-CA 3.16Å; A564-G568 PolarHBondContact O-N 3.24Å; A564-V569 WeakPolarHBondContact CA-O 3.18Å; A564-I570 HydrophobicContact CB-CG1 4.38Å
565	A	89.7	Confident	92.3	Very high	28 Å²	28	58.2 Å²	58.2	23%	0.231	31%	0.313	C	S	.	.	H	α-helix	trans	-62.5	-39	178	0	0	0	0	0	112.5	L513 H561 E562 K563	L513-A565 HydrophobicContact CD1-CB 3.94Å; H561-A565 WeakPolarHBondContact O-CB 3.45Å; H561-A565 PolarHBondContact O-N 2.93Å; E562-A565 PolarHBondContact O-N 2.89Å; K563-A565 PolarHBondContact O-N 3.4Å
566	N	90.5	Very high	92.1	Very high	109 Å²	109	60 Å²	60	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-74.8	-44.2	-179.8	-73.5	-33.1	0	0	0	112.8	K506 E562 K563 A564	K506-N566 WeakPolarHBondContact CE-O 3.48Å; K506-N566 PolarHBondContact NZ-O 3.09Å; E562-N566 WeakPolarHBondContact O-CB 3.34Å; E562-N566 PolarHBondContact O-N 3.04Å; E562-N566 VanDerWaalsContact O-N 3.09Å; E562-N566 PolarHBondContact O-ND2 3.35Å; E562-N566 VanDerWaalsContact O-ND2 3.12Å; K563-N566 PolarHBondContact O-N 3.46Å; A564-N566 VanDerWaalsContact C-N 3.33Å; A564-N566 PolarHBondContact O-N 3.15Å
567	D	89.7	Confident	92	Very high	86 Å²	86	57.6 Å²	57.6	46%	0.46	31%	0.313	S	S	.	.	H	α-helix	trans	-85.5	-24	-174.1	-67	-12.2	0	0	0	112.2	K563 V569	K563-D567 WeakPolarHBondContact CE-OD2 3.39Å; K563-D567 VanDerWaalsContact CG-OD2 3.32Å; K563-D567 WeakPolarHBondContact CG-OD2 3.29Å; K563-D567 WeakPolarHBondContact O-CB 3.15Å; K563-D567 PolarHBondContact O-N 2.9Å; D567-V569 VanDerWaalsContact C-N 3.28Å
568	G	90.1	Very high	91.9	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	78.3	11.5	-172.6	0	0	0	0	0	113.6	N505 L509 A564	N505-G568 VanDerWaalsContact CB-O 3.3Å; N505-G568 WeakPolarHBondContact CB-O 3.35Å; L509-G568 VanDerWaalsContact CD1-C 3.49Å; A564-G568 WeakPolarHBondContact O-CA 3.16Å; A564-G568 PolarHBondContact O-N 3.24Å
569	V	90.3	Very high	91.9	Very high	69 Å²	69	67.7 Å²	67.7	42%	0.418	35%	0.345	S	S	.	.			trans	-130.7	129.9	-173.7	-178.5	0	0	0	0	109.9	A564 D567 I571	A564-V569 WeakPolarHBondContact CA-O 3.18Å; D567-V569 VanDerWaalsContact C-N 3.28Å; V569-I571 HydrophobicContact CG1-CG1 4.48Å
570	I	91.9	Very high	91.8	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	34%	0.344	C	S	.	.			trans	-88.3	126.6	171.6	-59.2	178.5	0	0	0	109	L509 F559 A564 P572 I674 M675 L678	L509-I570 HydrophobicContact CD1-CG1 4.48Å; L509-I570 HydrophobicContact CD2-CD1 3.5Å; L509-I570 VanDerWaalsContact CD2-CD1 3.5Å; L509-I570 HydrophobicContact CD2-CG1 3.48Å; L509-I570 VanDerWaalsContact CD2-CG1 3.48Å; F559-I570 HydrophobicContact CB-CG2 3.73Å; F559-I570 HydrophobicContact CD1-CG2 3.77Å; F559-I570 HydrophobicContact CD2-CG1 4.4Å; F559-I570 HydrophobicContact CD2-CG2 4.06Å; F559-I570 HydrophobicContact CE1-CD1 4.2Å; F559-I570 HydrophobicContact CE1-CG2 4.44Å; F559-I570 HydrophobicContact CE2-CD1 4.45Å; F559-I570 HydrophobicContact CE2-CG1 4.33Å; F559-I570 HydrophobicContact CG-CG2 3.59Å; F559-I570 HydrophobicContact CZ-CD1 4.16Å; A564-I570 HydrophobicContact CB-CG1 4.38Å; I570-P572 HydrophobicContact CG2-CG 4.31Å; I570-I674 HydrophobicContact CB-CG2 4.2Å; I570-M675 HydrophobicContact CD1-CB 4.33Å; I570-M675 HydrophobicContact CD1-CG 4.22Å; I570-L678 HydrophobicContact CB-CD1 4.46Å; I570-L678 HydrophobicContact CD1-CD1 3.66Å; I570-L678 HydrophobicContact CG2-CD1 3.67Å
571	I	92.5	Very high	91.8	Very high	81 Å²	81	64.5 Å²	64.5	42%	0.415	33%	0.329	S	S	.	.			trans	-112.7	103.8	164.4	-57.6	177.1	0	0	0	106.2	F559 V569	F559-I571 WeakPolarHBondContact CB-O 3.46Å; V569-I571 HydrophobicContact CG1-CG1 4.48Å
572	P	93.1	Very high	91.8	Very high	12 Å²	12	65 Å²	65	8%	0.078	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-62.4	148.8	178.5	-17.3	27.6	0	0	0	112.2	S558 I570 V576 L580 I674	S558-P572 WeakPolarHBondContact O-CA 3.41Å; I570-P572 HydrophobicContact CG2-CG 4.31Å; P572-V576 HydrophobicContact CB-CB 3.87Å; P572-V576 HydrophobicContact CB-CG1 3.96Å; P572-L580 HydrophobicContact CB-CD2 4.36Å; P572-L580 HydrophobicContact CG-CD2 3.83Å; P572-I674 HydrophobicContact CG-CD1 3.85Å; P572-I674 HydrophobicContact CG-CG1 3.36Å
573	N	93.3	Very high	92	Very high	81 Å²	81	57.9 Å²	57.9	43%	0.433	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.5	155.8	166.9	-71.2	-29.6	0	0	0	110.7	T557 S558 G575 V576	T557-N573 PolarHBondContact O-ND2 2.86Å; S558-N573 PolarHBondContact O-N 3.44Å; N573-G575 PolarHBondContact O-N 3.22Å; N573-V576 HydrophobicContact CB-CG2 4.41Å; N573-V576 WeakPolarHBondContact O-CB 3.29Å; N573-V576 WeakPolarHBondContact O-CG2 3.16Å; N573-V576 PolarHBondContact O-N 3.36Å
574	K	89.5	Confident	92.1	Very high	143 Å²	143	54.7 Å²	54.7	62%	0.622	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	133	179.2	-171.2	165.3	-173.2	157.2	0	110.3	D581 D585	K574-D581 WeakPolarHBondContact CA-OD1 3.33Å; K574-D585 IonicContact NZ-OD1 3.29Å; K574-D585 PolarHBondContact NZ-OD1 2.66Å; K574-D585 VanDerWaalsContact NZ-OD1 3.09Å; K574-D585 IonicContact NZ-OD2 3.58Å; K574-D585 PolarHBondContact NZ-OD2 3.17Å
575	G	89.6	Confident	92.3	Very high	56 Å²	56	57.9 Å²	57.9	58%	0.577	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-12	-178.9	0	0	0	0	0	115.1	N573 D581	N573-G575 PolarHBondContact O-N 3.22Å; G575-D581 VanDerWaalsContact CA-OD2 3.23Å; G575-D581 WeakPolarHBondContact CA-OD2 3.46Å; G575-D581 PolarHBondContact N-OD1 3.22Å; G575-D581 PolarHBondContact N-OD2 2.61Å
576	V	90.9	Very high	92.6	Very high	36 Å²	36	57.8 Å²	57.8	22%	0.218	31%	0.309	C	S	.	.	S	Bend	trans	-78.7	-45	-179.9	175.7	0	0	0	0	111.7	F554 P572 N573 L678	F554-V576 HydrophobicContact CE2-CG2 4.47Å; F554-V576 HydrophobicContact CZ-CG1 4.16Å; P572-V576 HydrophobicContact CB-CB 3.87Å; P572-V576 HydrophobicContact CB-CG1 3.96Å; N573-V576 HydrophobicContact CB-CG2 4.41Å; N573-V576 WeakPolarHBondContact O-CB 3.29Å; N573-V576 WeakPolarHBondContact O-CG2 3.16Å; N573-V576 PolarHBondContact O-N 3.36Å; V576-L678 HydrophobicContact CG1-CD2 3.88Å
577	D	92.8	Very high	92.9	Very high	20 Å²	20	53.7 Å²	53.7	11%	0.107	29%	0.286	C	S	.	.			trans	-125.6	113.7	175.2	-175.9	-70.8	0	0	0	110.1	E579 L580 D581 I674 R677	D577-E579 VanDerWaalsContact C-N 3.27Å; D577-E579 PolarHBondContact O-N 2.98Å; D577-E579 WeakPolarHBondContact OD1-CA 3.47Å; D577-E579 WeakPolarHBondContact OD1-CB 3.25Å; D577-E579 PolarHBondContact OD1-N 3.44Å; D577-L580 HydrophobicContact CB-CB 4.14Å; D577-L580 PolarHBondContact O-N 3.25Å; D577-L580 PolarHBondContact OD1-N 2.82Å; D577-D581 VanDerWaalsContact O-CG 3.31Å; D577-D581 PolarHBondContact O-N 3.47Å; D577-I674 HydrophobicContact CB-CD1 3.56Å; D577-I674 WeakPolarHBondContact OD2-CD1 3.42Å; D577-R677 IonicContact OD1-NH1 3.29Å; D577-R677 WeakPolarHBondContact OD2-CD 3.2Å; D577-R677 IonicContact OD2-NH1 3.8Å; D577-R677 PolarHBondContact OD2-NH1 2.95Å; D577-R677 VanDerWaalsContact OD2-NH1 3.11Å
578	R	93	Very high	93.2	Very high	223 Å²	223	55.4 Å²	55.4	84%	0.842	29%	0.29	S	S	*	.	H	α-helix	trans	-64.8	-31.6	-176.2	-64.4	-177.9	-179.1	177	0.7	112.8	S582	R578-S582 WeakPolarHBondContact O-CB 3.39Å; R578-S582 PolarHBondContact O-N 3.08Å
579	E	93.3	Very high	93.5	Very high	67 Å²	67	61 Å²	61	31%	0.313	31%	0.311	S	S	.	.	H	α-helix	trans	-72.6	-45.3	-179.3	-171.3	179.1	-171.5	0	0	110	D577 D581 S582 V583 V670 R677	D577-E579 VanDerWaalsContact C-N 3.27Å; D577-E579 PolarHBondContact O-N 2.98Å; D577-E579 WeakPolarHBondContact OD1-CA 3.47Å; D577-E579 WeakPolarHBondContact OD1-CB 3.25Å; D577-E579 PolarHBondContact OD1-N 3.44Å; E579-D581 VanDerWaalsContact C-N 3.34Å; E579-D581 PolarHBondContact O-N 3.4Å; E579-S582 PolarHBondContact O-N 2.77Å; E579-S582 PolarHBondContact O-OG 3.18Å; E579-V583 WeakPolarHBondContact O-CG2 3.29Å; E579-V583 PolarHBondContact O-N 2.86Å; E579-V670 HydrophobicContact CG-CG2 4Å; E579-R677 IonicContact OE2-CZ 3.93Å; E579-R677 VanDerWaalsContact OE2-CZ 3.27Å; E579-R677 IonicContact OE2-NH1 3.86Å; E579-R677 PolarHBondContact OE2-NH1 3.5Å; E579-R677 IonicContact OE2-NH2 2.74Å; E579-R677 PolarHBondContact OE2-NH2 2.9Å
580	L	93.5	Very high	93.8	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-45.6	174.8	-176.5	62.8	0	0	0	111.2	P572 D577 S582 V583 D584 R667 V670 L671	P572-L580 HydrophobicContact CB-CD2 4.36Å; P572-L580 HydrophobicContact CG-CD2 3.83Å; D577-L580 HydrophobicContact CB-CB 4.14Å; D577-L580 PolarHBondContact O-N 3.25Å; D577-L580 PolarHBondContact OD1-N 2.82Å; L580-S582 VanDerWaalsContact C-N 3.3Å; L580-S582 PolarHBondContact O-N 2.81Å; L580-V583 PolarHBondContact O-N 2.88Å; L580-V583 VanDerWaalsContact O-N 3.15Å; L580-D584 WeakPolarHBondContact O-CB 3.49Å; L580-D584 PolarHBondContact O-N 3.16Å; L580-R667 HydrophobicContact CD1-CG 4.05Å; L580-V670 HydrophobicContact CB-CG1 3.97Å; L580-V670 HydrophobicContact CD1-CG1 4.29Å; L580-L671 HydrophobicContact CD1-CD2 4.06Å; L580-L671 HydrophobicContact CD1-CG 4.18Å; L580-L671 HydrophobicContact CD2-CD2 4.01Å
581	D	94.1	Very high	93.9	Very high	26 Å²	26	60.4 Å²	60.4	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-44	176.3	-72.9	-21	0	0	0	111.7	K574 G575 D577 E579 V583 D584 D585	K574-D581 WeakPolarHBondContact CA-OD1 3.33Å; G575-D581 VanDerWaalsContact CA-OD2 3.23Å; G575-D581 WeakPolarHBondContact CA-OD2 3.46Å; G575-D581 PolarHBondContact N-OD1 3.22Å; G575-D581 PolarHBondContact N-OD2 2.61Å; D577-D581 VanDerWaalsContact O-CG 3.31Å; D577-D581 PolarHBondContact O-N 3.47Å; E579-D581 VanDerWaalsContact C-N 3.34Å; E579-D581 PolarHBondContact O-N 3.4Å; D581-V583 VanDerWaalsContact C-N 3.31Å; D581-V583 PolarHBondContact O-N 3.18Å; D581-D584 PolarHBondContact O-N 3.35Å; D581-D585 WeakPolarHBondContact O-CB 3.33Å; D581-D585 PolarHBondContact O-N 3.15Å
582	S	95.4	Very high	94.1	Very high	62 Å²	62	62.7 Å²	62.7	43%	0.434	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-37.2	178.5	77.9	0	0	0	0	112.6	R578 E579 L580 A586	R578-S582 WeakPolarHBondContact O-CB 3.39Å; R578-S582 PolarHBondContact O-N 3.08Å; E579-S582 PolarHBondContact O-N 2.77Å; E579-S582 PolarHBondContact O-OG 3.18Å; L580-S582 VanDerWaalsContact C-N 3.3Å; L580-S582 PolarHBondContact O-N 2.81Å; S582-A586 WeakPolarHBondContact O-CB 3.39Å; S582-A586 PolarHBondContact O-N 3.25Å
583	V	95.5	Very high	94.2	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-73.1	-41.4	178.4	173.5	0	0	0	0	110.6	E579 L580 D581 A586 I587 T663 K666 R667	E579-V583 WeakPolarHBondContact O-CG2 3.29Å; E579-V583 PolarHBondContact O-N 2.86Å; L580-V583 PolarHBondContact O-N 2.88Å; L580-V583 VanDerWaalsContact O-N 3.15Å; D581-V583 VanDerWaalsContact C-N 3.31Å; D581-V583 PolarHBondContact O-N 3.18Å; V583-A586 WeakPolarHBondContact O-CB 3.47Å; V583-A586 PolarHBondContact O-N 3.44Å; V583-I587 HydrophobicContact CG1-CD1 4.19Å; V583-I587 WeakPolarHBondContact O-CG1 3.49Å; V583-I587 PolarHBondContact O-N 3.41Å; V583-T663 HydrophobicContact CG1-CG2 3.92Å; V583-K666 HydrophobicContact CG2-CD 3.84Å; V583-K666 HydrophobicContact CG2-CG 4.06Å; V583-R667 HydrophobicContact CG1-CB 3.55Å; V583-R667 HydrophobicContact CG1-CG 4.04Å
584	D	94.9	Very high	94.3	Very high	38 Å²	38	60.5 Å²	60.5	20%	0.203	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-40.6	176.6	-81.9	-5.2	0	0	0	111.7	L580 D581 A586 I587 K588 R667	L580-D584 WeakPolarHBondContact O-CB 3.49Å; L580-D584 PolarHBondContact O-N 3.16Å; D581-D584 PolarHBondContact O-N 3.35Å; D584-A586 VanDerWaalsContact C-N 3.34Å; D584-I587 PolarHBondContact O-N 2.99Å; D584-K588 WeakPolarHBondContact O-CG 3.42Å; D584-K588 PolarHBondContact O-N 3.36Å; D584-R667 WeakPolarHBondContact OD1-CD 3.35Å; D584-R667 IonicContact OD1-CZ 2.82Å; D584-R667 IonicContact OD1-NE 2.84Å; D584-R667 PolarHBondContact OD1-NE 3.38Å; D584-R667 IonicContact OD1-NH2 3.94Å; D584-R667 IonicContact OD2-NH2 2.75Å
585	D	95.6	Very high	94.5	Very high	69 Å²	69	58.3 Å²	58.3	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-69	-33.1	175.6	-72.2	-15.5	0	0	0	111.2	K574 D581 K588 R589	K574-D585 IonicContact NZ-OD1 3.29Å; K574-D585 PolarHBondContact NZ-OD1 2.66Å; K574-D585 VanDerWaalsContact NZ-OD1 3.09Å; K574-D585 IonicContact NZ-OD2 3.58Å; K574-D585 PolarHBondContact NZ-OD2 3.17Å; D581-D585 WeakPolarHBondContact O-CB 3.33Å; D581-D585 PolarHBondContact O-N 3.15Å; D585-K588 PolarHBondContact O-N 3.18Å; D585-K588 IonicContact OD1-NZ 3.59Å; D585-K588 PolarHBondContact OD1-NZ 3.18Å; D585-R589 PolarHBondContact O-N 3.48Å
586	A	96	Very high	94.7	Very high	26 Å²	26	60.5 Å²	60.5	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-43.5	170.9	0	0	0	0	0	112.6	S582 V583 D584 K588 R589 I590 T663	S582-A586 WeakPolarHBondContact O-CB 3.39Å; S582-A586 PolarHBondContact O-N 3.25Å; V583-A586 WeakPolarHBondContact O-CB 3.47Å; V583-A586 PolarHBondContact O-N 3.44Å; D584-A586 VanDerWaalsContact C-N 3.34Å; A586-K588 VanDerWaalsContact C-N 3.35Å; A586-K588 PolarHBondContact O-N 3.48Å; A586-R589 WeakPolarHBondContact O-CB 3.35Å; A586-R589 PolarHBondContact O-N 3.02Å; A586-I590 VanDerWaalsContact O-CG1 3.31Å; A586-I590 WeakPolarHBondContact O-CG1 3.33Å; A586-I590 PolarHBondContact O-N 3.39Å; A586-T663 HydrophobicContact CB-CG2 4.03Å
587	I	95.5	Very high	94.8	Very high	23 Å²	23	60.1 Å²	60.1	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-42.6	175.9	-71	167.2	0	0	0	110.9	V583 D584 R589 I590 N591 L660 T663 R667	V583-I587 HydrophobicContact CG1-CD1 4.19Å; V583-I587 WeakPolarHBondContact O-CG1 3.49Å; V583-I587 PolarHBondContact O-N 3.41Å; D584-I587 PolarHBondContact O-N 2.99Å; I587-R589 VanDerWaalsContact C-N 3.31Å; I587-R589 PolarHBondContact O-N 3.38Å; I587-I590 PolarHBondContact O-N 3.28Å; I587-N591 WeakPolarHBondContact CG2-ND2 3.48Å; I587-N591 WeakPolarHBondContact O-CB 3.44Å; I587-N591 PolarHBondContact O-N 3.36Å; I587-N591 PolarHBondContact O-ND2 3.06Å; I587-L660 HydrophobicContact CG1-CD1 4.47Å; I587-L660 HydrophobicContact CG2-CD1 4.15Å; I587-T663 HydrophobicContact CD1-CG2 4.22Å; I587-T663 HydrophobicContact CG1-CG2 3.57Å; I587-R667 HydrophobicContact CD1-CB 4.19Å; I587-R667 HydrophobicContact CD1-CG 4.39Å
588	K	96.1	Very high	94.8	Very high	122 Å²	122	60 Å²	60	53%	0.53	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-41.6	175.2	-73.5	170.8	-169	161.1	0	111.8	D584 D585 A586 K592	D584-K588 WeakPolarHBondContact O-CG 3.42Å; D584-K588 PolarHBondContact O-N 3.36Å; D585-K588 PolarHBondContact O-N 3.18Å; D585-K588 IonicContact OD1-NZ 3.59Å; D585-K588 PolarHBondContact OD1-NZ 3.18Å; A586-K588 VanDerWaalsContact C-N 3.35Å; A586-K588 PolarHBondContact O-N 3.48Å; K588-K592 WeakPolarHBondContact O-CB 3.47Å; K588-K592 PolarHBondContact O-N 3.03Å
589	R	97.2	Very high	94.7	Very high	120 Å²	120	53.6 Å²	53.6	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-49.6	175.2	-177.6	-178	64.6	90.6	2.1	111.4	D585 A586 I587 N591 K592 D593 E659	D585-R589 PolarHBondContact O-N 3.48Å; A586-R589 WeakPolarHBondContact O-CB 3.35Å; A586-R589 PolarHBondContact O-N 3.02Å; I587-R589 VanDerWaalsContact C-N 3.31Å; I587-R589 PolarHBondContact O-N 3.38Å; R589-N591 VanDerWaalsContact C-N 3.33Å; R589-N591 PolarHBondContact O-N 3.42Å; R589-K592 WeakPolarHBondContact O-CB 3.44Å; R589-K592 PolarHBondContact O-N 2.96Å; R589-K592 VanDerWaalsContact O-N 3.13Å; R589-D593 IonicContact NH1-OD2 3.6Å; R589-D593 PolarHBondContact O-N 3.45Å; R589-E659 IonicContact CZ-OE1 3.08Å; R589-E659 IonicContact NH1-OE1 2.95Å; R589-E659 IonicContact NH2-OE1 3.97Å; R589-E659 PolarHBondContact NH2-OE1 2.96Å
590	I	95.9	Very high	94.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-40.4	-179	-62.6	159.2	0	0	0	111.3	A586 I587 K592 D593 L594 L656 E659 L660 T663	A586-I590 VanDerWaalsContact O-CG1 3.31Å; A586-I590 WeakPolarHBondContact O-CG1 3.33Å; A586-I590 PolarHBondContact O-N 3.39Å; I587-I590 PolarHBondContact O-N 3.28Å; I590-K592 VanDerWaalsContact C-N 3.33Å; I590-K592 PolarHBondContact O-N 2.55Å; I590-D593 PolarHBondContact O-N 3.2Å; I590-L594 HydrophobicContact CG2-CD1 4.38Å; I590-L594 WeakPolarHBondContact O-CG 3.48Å; I590-L594 PolarHBondContact O-N 2.91Å; I590-L656 HydrophobicContact CG2-CD2 4.4Å; I590-E659 HydrophobicContact CD1-CB 4.36Å; I590-E659 HydrophobicContact CD1-CG 3.73Å; I590-E659 HydrophobicContact CG1-CG 4.23Å; I590-L660 HydrophobicContact CG2-CB 3.88Å; I590-L660 HydrophobicContact CG2-CD1 4.24Å; I590-T663 HydrophobicContact CD1-CG2 4.49Å
591	N	95	Very high	94.2	Very high	58 Å²	58	55.2 Å²	55.2	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-38.9	174.8	-76.2	-35.4	0	0	0	112.1	I587 R589 L594 D595	I587-N591 WeakPolarHBondContact CG2-ND2 3.48Å; I587-N591 WeakPolarHBondContact O-CB 3.44Å; I587-N591 PolarHBondContact O-N 3.36Å; I587-N591 PolarHBondContact O-ND2 3.06Å; R589-N591 VanDerWaalsContact C-N 3.33Å; R589-N591 PolarHBondContact O-N 3.42Å; N591-L594 WeakPolarHBondContact O-CB 3.17Å; N591-L594 PolarHBondContact O-N 3.34Å; N591-D595 PolarHBondContact O-N 3.1Å
592	K	96.1	Very high	94	Very high	128 Å²	128	58.3 Å²	58.3	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-63.1	-43	173.2	-172.5	-176.4	175.6	-165.3	0	111.5	K588 R589 I590 L594 D595 E596	K588-K592 WeakPolarHBondContact O-CB 3.47Å; K588-K592 PolarHBondContact O-N 3.03Å; R589-K592 WeakPolarHBondContact O-CB 3.44Å; R589-K592 PolarHBondContact O-N 2.96Å; R589-K592 VanDerWaalsContact O-N 3.13Å; I590-K592 VanDerWaalsContact C-N 3.33Å; I590-K592 PolarHBondContact O-N 2.55Å; K592-L594 VanDerWaalsContact C-N 3.29Å; K592-L594 PolarHBondContact O-N 3.29Å; K592-D595 PolarHBondContact O-N 3.21Å; K592-E596 WeakPolarHBondContact CE-OE1 3.47Å; K592-E596 IonicContact NZ-OE1 2.87Å; K592-E596 WeakPolarHBondContact O-CG 3.48Å; K592-E596 PolarHBondContact O-N 3.42Å
593	D	95.3	Very high	93.6	Very high	46 Å²	46	62.8 Å²	62.8	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-35.7	176.6	-65.8	-10.8	0	0	0	111.5	R589 I590 Y597 L656	R589-D593 IonicContact NH1-OD2 3.6Å; R589-D593 PolarHBondContact O-N 3.45Å; I590-D593 PolarHBondContact O-N 3.2Å; D593-Y597 VanDerWaalsContact O-CB 3.3Å; D593-Y597 WeakPolarHBondContact O-CB 3.39Å; D593-Y597 PolarHBondContact O-N 2.91Å; D593-L656 HydrophobicContact CB-CD1 4.38Å; D593-L656 HydrophobicContact CB-CD2 3.89Å
594	L	94.4	Very high	93	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-45.9	171.7	-76.7	166.2	0	0	0	111.5	I590 N591 K592 Y597 L598 Y612 F620 L653 L656 L660	I590-L594 HydrophobicContact CG2-CD1 4.38Å; I590-L594 WeakPolarHBondContact O-CG 3.48Å; I590-L594 PolarHBondContact O-N 2.91Å; N591-L594 WeakPolarHBondContact O-CB 3.17Å; N591-L594 PolarHBondContact O-N 3.34Å; K592-L594 VanDerWaalsContact C-N 3.29Å; K592-L594 PolarHBondContact O-N 3.29Å; L594-Y597 PolarHBondContact O-N 3.3Å; L594-L598 PolarHBondContact O-N 3.45Å; L594-Y612 HydrophobicContact CB-CE2 4.45Å; L594-Y612 PolarHBondContact O-OH 3.25Å; L594-F620 HydrophobicContact CD1-CD1 4.06Å; L594-F620 HydrophobicContact CD1-CD2 4.33Å; L594-F620 HydrophobicContact CD1-CE1 3.88Å; L594-F620 HydrophobicContact CD1-CE2 4.16Å; L594-F620 HydrophobicContact CD1-CG 4.28Å; L594-F620 HydrophobicContact CD1-CZ 3.92Å; L594-F620 HydrophobicContact CD2-CB 4.49Å; L594-F620 HydrophobicContact CD2-CD1 4.41Å; L594-F620 HydrophobicContact CD2-CG 4.4Å; L594-L653 HydrophobicContact CD2-CD2 4Å; L594-L656 HydrophobicContact CD2-CB 3.83Å; L594-L656 HydrophobicContact CD2-CD1 3.88Å; L594-L656 HydrophobicContact CG-CB 4.22Å; L594-L656 HydrophobicContact CG-CD1 4.18Å; L594-L660 HydrophobicContact CD1-CD2 4.13Å
595	D	93.9	Very high	92.5	Very high	97 Å²	97	65 Å²	65	52%	0.519	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-42.3	177.7	-73.3	-27.6	0	0	0	112	N591 K592 Y597 L598 I599	N591-D595 PolarHBondContact O-N 3.1Å; K592-D595 PolarHBondContact O-N 3.21Å; D595-Y597 VanDerWaalsContact C-N 3.33Å; D595-Y597 PolarHBondContact O-N 3.02Å; D595-L598 WeakPolarHBondContact O-CB 3.28Å; D595-L598 PolarHBondContact O-N 2.86Å; D595-I599 WeakPolarHBondContact O-CG1 3.43Å; D595-I599 PolarHBondContact O-N 3.32Å; D595-I599 VanDerWaalsContact O-N 3.1Å
596	E	94.4	Very high	91.8	Very high	102 Å²	102	68.7 Å²	68.7	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-40.8	174.2	-73.2	-178.5	-171.8	0	0	111.4	K592 L598 I599 F600	K592-E596 WeakPolarHBondContact CE-OE1 3.47Å; K592-E596 IonicContact NZ-OE1 2.87Å; K592-E596 WeakPolarHBondContact O-CG 3.48Å; K592-E596 PolarHBondContact O-N 3.42Å; E596-L598 VanDerWaalsContact C-N 3.34Å; E596-L598 PolarHBondContact O-N 3.25Å; E596-I599 PolarHBondContact O-N 3.05Å; E596-F600 PolarHBondContact O-N 3.38Å
597	Y	92.8	Very high	91.2	Very high	29 Å²	29	67.8 Å²	67.8	11%	0.114	31%	0.307	C	S	.	.	H	α-helix	trans	-65.9	-35.8	175.3	-166.8	-90.9	0	0	0	112.2	D593 L594 D595 I599 F600 A601 T650 K652 L653	D593-Y597 VanDerWaalsContact O-CB 3.3Å; D593-Y597 WeakPolarHBondContact O-CB 3.39Å; D593-Y597 PolarHBondContact O-N 2.91Å; L594-Y597 PolarHBondContact O-N 3.3Å; D595-Y597 VanDerWaalsContact C-N 3.33Å; D595-Y597 PolarHBondContact O-N 3.02Å; Y597-I599 VanDerWaalsContact C-N 3.34Å; Y597-I599 PolarHBondContact O-N 3.42Å; Y597-F600 HydrophobicContact CD2-CD1 4.3Å; Y597-F600 HydrophobicContact CE2-CD1 4.05Å; Y597-F600 HydrophobicContact CE2-CE1 4.38Å; Y597-F600 WeakPolarHBondContact O-CB 3.44Å; Y597-F600 PolarHBondContact O-N 3.48Å; Y597-A601 HydrophobicContact CE1-CB 4.37Å; Y597-A601 VanDerWaalsContact O-CB 3.29Å; Y597-A601 WeakPolarHBondContact O-CB 3.36Å; Y597-A601 PolarHBondContact O-N 3.44Å; Y597-T650 HydrophobicContact CE1-CG2 4.4Å; Y597-T650 WeakPolarHBondContact OH-CB 3.38Å; Y597-T650 WeakPolarHBondContact OH-CG2 3.29Å; Y597-T650 PolarHBondContact OH-OG1 2.95Å; Y597-K652 HydrophobicContact CD2-CB 4.19Å; Y597-K652 HydrophobicContact CD2-CG 3.63Å; Y597-K652 HydrophobicContact CE2-CB 3.59Å; Y597-K652 HydrophobicContact CE2-CG 3.53Å; Y597-K652 HydrophobicContact CG-CG 4.5Å; Y597-L653 HydrophobicContact CD1-CD1 4.43Å; Y597-L653 HydrophobicContact CD1-CD2 3.58Å; Y597-L653 HydrophobicContact CD1-CG 3.85Å; Y597-L653 HydrophobicContact CE1-CD1 4Å; Y597-L653 HydrophobicContact CE1-CD2 3.91Å; Y597-L653 HydrophobicContact CE1-CG 3.61Å; Y597-L653 HydrophobicContact CG-CD2 4.43Å
598	L	92.4	Very high	90.5	Very high	17 Å²	17	71.1 Å²	71.1	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-41.7	174.2	-174.7	61	0	0	0	111.4	L594 D595 E596 F600 A601 R602 Y612 L622	L594-L598 PolarHBondContact O-N 3.45Å; D595-L598 WeakPolarHBondContact O-CB 3.28Å; D595-L598 PolarHBondContact O-N 2.86Å; E596-L598 VanDerWaalsContact C-N 3.34Å; E596-L598 PolarHBondContact O-N 3.25Å; L598-F600 VanDerWaalsContact C-N 3.35Å; L598-A601 PolarHBondContact O-N 3.35Å; L598-R602 WeakPolarHBondContact O-CB 3.28Å; L598-R602 VanDerWaalsContact O-CG 3.25Å; L598-R602 WeakPolarHBondContact O-CG 3.45Å; L598-R602 PolarHBondContact O-N 3.18Å; L598-Y612 HydrophobicContact CB-CD2 4.44Å; L598-Y612 HydrophobicContact CB-CE2 3.61Å; L598-Y612 HydrophobicContact CD1-CD2 4.3Å; L598-Y612 HydrophobicContact CD1-CE1 4.32Å; L598-Y612 HydrophobicContact CD1-CE2 4.08Å; L598-Y612 HydrophobicContact CD2-CD2 3.97Å; L598-Y612 HydrophobicContact CD2-CE2 3.98Å; L598-Y612 HydrophobicContact CG-CD2 4.47Å; L598-Y612 HydrophobicContact CG-CE2 4.09Å; L598-Y612 PolarHBondContact N-OH 2.95Å; L598-L622 HydrophobicContact CD1-CD1 3.6Å
599	I	91.8	Very high	89.9	Confident	89 Å²	89	70.8 Å²	70.8	46%	0.456	34%	0.337	S	S	.	.	H	α-helix	trans	-62.5	-45.3	175.2	-65.3	166.2	0	0	0	110.1	D595 E596 Y597 R602 K603	D595-I599 WeakPolarHBondContact O-CG1 3.43Å; D595-I599 PolarHBondContact O-N 3.32Å; D595-I599 VanDerWaalsContact O-N 3.1Å; E596-I599 PolarHBondContact O-N 3.05Å; Y597-I599 VanDerWaalsContact C-N 3.34Å; Y597-I599 PolarHBondContact O-N 3.42Å; I599-R602 PolarHBondContact O-N 2.84Å; I599-K603 WeakPolarHBondContact O-CG 3.46Å; I599-K603 PolarHBondContact O-N 3.24Å; I599-K603 VanDerWaalsContact O-N 3.1Å
600	F	89.3	Confident	89.4	Confident	103 Å²	103	65 Å²	65	45%	0.452	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-47.7	175.4	172.7	-99.5	0	0	0	111.8	E596 Y597 L598 R602 K603 K604	E596-F600 PolarHBondContact O-N 3.38Å; Y597-F600 HydrophobicContact CD2-CD1 4.3Å; Y597-F600 HydrophobicContact CE2-CD1 4.05Å; Y597-F600 HydrophobicContact CE2-CE1 4.38Å; Y597-F600 WeakPolarHBondContact O-CB 3.44Å; Y597-F600 PolarHBondContact O-N 3.48Å; L598-F600 VanDerWaalsContact C-N 3.35Å; F600-R602 PolarHBondContact O-N 3.25Å; F600-K603 PolarHBondContact O-N 3.5Å; F600-K604 HydrophobicContact CE1-CD 3.89Å; F600-K604 HydrophobicContact CZ-CD 3.88Å; F600-K604 WeakPolarHBondContact O-CB 3.33Å; F600-K604 PolarHBondContact O-N 3.07Å
601	A	86.5	Confident	89.2	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-42.9	179.7	0	0	0	0	0	111.8	Y597 L598 K603 K604 L605 L622	Y597-A601 HydrophobicContact CE1-CB 4.37Å; Y597-A601 VanDerWaalsContact O-CB 3.29Å; Y597-A601 WeakPolarHBondContact O-CB 3.36Å; Y597-A601 PolarHBondContact O-N 3.44Å; L598-A601 PolarHBondContact O-N 3.35Å; A601-K603 VanDerWaalsContact C-N 3.31Å; A601-K603 PolarHBondContact O-N 2.97Å; A601-K604 PolarHBondContact O-N 2.94Å; A601-L605 VanDerWaalsContact O-CB 3.28Å; A601-L605 WeakPolarHBondContact O-CB 3.46Å; A601-L605 VanDerWaalsContact O-CG 3.24Å; A601-L605 WeakPolarHBondContact O-CG 3.17Å; A601-L605 PolarHBondContact O-N 2.84Å; A601-L622 HydrophobicContact CB-CD1 4.34Å; A601-L622 HydrophobicContact CB-CD2 3.86Å
602	R	89.3	Confident	89.1	Confident	91 Å²	91	69 Å²	69	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-58.5	-41.9	174.7	-76.6	173.7	172.8	170.2	-0.7	112.3	L598 I599 F600 H606 C607 S608 A610	L598-R602 WeakPolarHBondContact O-CB 3.28Å; L598-R602 VanDerWaalsContact O-CG 3.25Å; L598-R602 WeakPolarHBondContact O-CG 3.45Å; L598-R602 PolarHBondContact O-N 3.18Å; I599-R602 PolarHBondContact O-N 2.84Å; F600-R602 PolarHBondContact O-N 3.25Å; R602-H606 PolarHBondContact O-N 2.91Å; R602-C607 WeakPolarHBondContact CA-O 3.46Å; R602-C607 WeakPolarHBondContact CB-O 3.49Å; R602-C607 WeakPolarHBondContact CG-O 3.22Å; R602-C607 PolarHBondContact O-N 3.23Å; R602-S608 PolarHBondContact NE-O 3.33Å; R602-A610 HydrophobicContact CG-CB 4.03Å; R602-A610 VanDerWaalsContact CZ-O 3.28Å; R602-A610 PolarHBondContact NE-O 3.48Å; R602-A610 PolarHBondContact NH2-O 3.15Å
603	K	87	Confident	88.9	Confident	156 Å²	156	64.1 Å²	64.1	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-66.8	-48.4	176	-73.6	179.7	-179.3	180	0	111.6	I599 F600 A601 L605 H606	I599-K603 WeakPolarHBondContact O-CG 3.46Å; I599-K603 PolarHBondContact O-N 3.24Å; I599-K603 VanDerWaalsContact O-N 3.1Å; F600-K603 PolarHBondContact O-N 3.5Å; A601-K603 VanDerWaalsContact C-N 3.31Å; A601-K603 PolarHBondContact O-N 2.97Å; K603-L605 VanDerWaalsContact C-N 3.33Å; K603-L605 PolarHBondContact O-N 3.11Å; K603-H606 PolarHBondContact O-N 2.77Å
604	K	84.1	Confident	88.5	Confident	85 Å²	85	64.3 Å²	64.3	37%	0.37	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-36.4	-178.5	-169.7	171.5	-176.3	171.5	0	112.6	F600 A601 H606 E635	F600-K604 HydrophobicContact CE1-CD 3.89Å; F600-K604 HydrophobicContact CZ-CD 3.88Å; F600-K604 WeakPolarHBondContact O-CB 3.33Å; F600-K604 PolarHBondContact O-N 3.07Å; A601-K604 PolarHBondContact O-N 2.94Å; K604-H606 VanDerWaalsContact C-N 3.34Å; K604-E635 IonicContact NZ-OE1 3.26Å; K604-E635 PolarHBondContact NZ-OE1 3.42Å; K604-E635 IonicContact NZ-OE2 2.7Å; K604-E635 PolarHBondContact NZ-OE2 3.03Å
605	L	83	Confident	87.9	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.3	179	-65	173.2	0	0	0	113.8	A601 K603 C607 L622 V624 V632 F636	A601-L605 VanDerWaalsContact O-CB 3.28Å; A601-L605 WeakPolarHBondContact O-CB 3.46Å; A601-L605 VanDerWaalsContact O-CG 3.24Å; A601-L605 WeakPolarHBondContact O-CG 3.17Å; A601-L605 PolarHBondContact O-N 2.84Å; K603-L605 VanDerWaalsContact C-N 3.33Å; K603-L605 PolarHBondContact O-N 3.11Å; L605-C607 HydrophobicContact CB-CB 4.17Å; L605-C607 PolarHBondContact O-N 3.12Å; L605-L622 HydrophobicContact CD1-CD2 3.56Å; L605-V624 HydrophobicContact CD1-CG1 4.35Å; L605-V624 HydrophobicContact CD1-CG2 3.65Å; L605-V632 HydrophobicContact CD2-CG2 3.58Å; L605-F636 HydrophobicContact CD1-CE1 4.3Å; L605-F636 HydrophobicContact CD2-CE1 4.47Å; L605-F636 HydrophobicContact CD2-CZ 4.22Å; L605-F636 HydrophobicContact CG-CZ 4.42Å
606	H	82.6	Confident	87.3	Confident	147 Å²	147	66.5 Å²	66.5	68%	0.681	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	39.4	-170.3	-57.3	-72.9	0	0	0	112.5	R602 K603 K604	R602-H606 PolarHBondContact O-N 2.91Å; K603-H606 PolarHBondContact O-N 2.77Å; K604-H606 VanDerWaalsContact C-N 3.34Å
607	C	81.5	Confident	86.4	Confident	7 Å²	7	72.8 Å²	72.8	5%	0.047	37%	0.372	C	S	.	.			trans	-135.4	105	-175.4	-173.1	0	0	0	0	110.4	R602 L605 N609 P625 K628	R602-C607 WeakPolarHBondContact CA-O 3.46Å; R602-C607 WeakPolarHBondContact CB-O 3.49Å; R602-C607 WeakPolarHBondContact CG-O 3.22Å; R602-C607 PolarHBondContact O-N 3.23Å; L605-C607 HydrophobicContact CB-CB 4.17Å; L605-C607 PolarHBondContact O-N 3.12Å; C607-N609 PolarHBondContact O-N 2.83Å; C607-P625 VanDerWaalsContact SG-CD 3.54Å; C607-K628 HydrophobicContact CB-CB 4.49Å; C607-K628 HydrophobicContact CB-CG 4.43Å
608	S	81.8	Confident	85.8	Confident	94 Å²	94	76.2 Å²	76.2	66%	0.657	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.2	175.2	53.7	0	0	0	0	113.2	R602 A610	R602-S608 PolarHBondContact NE-O 3.33Å; S608-A610 VanDerWaalsContact C-N 3.29Å; S608-A610 PolarHBondContact O-N 3.39Å
609	N	83.9	Confident	85.6	Confident	114 Å²	114	78.8 Å²	78.8	61%	0.61	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.1	-174.6	-67.5	-8.7	0	0	0	113.7	C607 K611	C607-N609 PolarHBondContact O-N 2.83Å; N609-K611 PolarHBondContact O-N 3.24Å
610	A	85.6	Confident	85.5	Confident	0 Å²	0	77 Å²	77	0%	0	39%	0.39	C	S	.	.			trans	-63.1	134.7	175.7	0	0	0	0	0	110.4	R602 S608 L622 E623 V624	R602-A610 HydrophobicContact CG-CB 4.03Å; R602-A610 VanDerWaalsContact CZ-O 3.28Å; R602-A610 PolarHBondContact NE-O 3.48Å; R602-A610 PolarHBondContact NH2-O 3.15Å; S608-A610 VanDerWaalsContact C-N 3.29Å; S608-A610 PolarHBondContact O-N 3.39Å; A610-L622 HydrophobicContact CB-CD1 4.14Å; A610-E623 WeakPolarHBondContact CA-O 3.49Å; A610-V624 HydrophobicContact CB-CG2 4.36Å
611	K	92.2	Very high	85.6	Confident	99 Å²	99	72.6 Å²	72.6	43%	0.43	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159	-177.7	66	-179.9	-179.9	-176.4	0	111.4	N609 V613 E623	N609-K611 PolarHBondContact O-N 3.24Å; K611-V613 HydrophobicContact CD-CG1 4.43Å; K611-V613 HydrophobicContact CG-CG1 4.17Å; K611-E623 WeakPolarHBondContact CE-OE1 3.48Å; K611-E623 HydrophobicContact CG-CB 4.35Å; K611-E623 PolarHBondContact N-O 3.42Å; K611-E623 IonicContact NZ-OE1 2.75Å; K611-E623 PolarHBondContact O-N 3.22Å
612	Y	93.1	Very high	85.7	Confident	42 Å²	42	72.6 Å²	72.6	17%	0.165	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139.5	170.9	-68.9	-49.3	0	0	0	112	L594 L598 F620 L621 L622 L653	L594-Y612 HydrophobicContact CB-CE2 4.45Å; L594-Y612 PolarHBondContact O-OH 3.25Å; L598-Y612 HydrophobicContact CB-CD2 4.44Å; L598-Y612 HydrophobicContact CB-CE2 3.61Å; L598-Y612 HydrophobicContact CD1-CD2 4.3Å; L598-Y612 HydrophobicContact CD1-CE1 4.32Å; L598-Y612 HydrophobicContact CD1-CE2 4.08Å; L598-Y612 HydrophobicContact CD2-CD2 3.97Å; L598-Y612 HydrophobicContact CD2-CE2 3.98Å; L598-Y612 HydrophobicContact CG-CD2 4.47Å; L598-Y612 HydrophobicContact CG-CE2 4.09Å; L598-Y612 PolarHBondContact N-OH 2.95Å; Y612-F620 HydrophobicContact CD1-CB 4Å; Y612-F620 HydrophobicContact CD1-CD1 4.36Å; Y612-F620 VanDerWaalsContact CD1-O 3.23Å; Y612-F620 WeakPolarHBondContact CD1-O 3.39Å; Y612-F620 AromaticContact CD2-CD1 3.82Å; Y612-F620 HydrophobicContact CD2-CD1 3.82Å; Y612-F620 HydrophobicContact CE1-CB 4.33Å; Y612-F620 WeakPolarHBondContact CE1-O 3.45Å; Y612-F620 HydrophobicContact CE2-CD1 4.28Å; Y612-F620 HydrophobicContact CG-CB 4.3Å; Y612-F620 AromaticContact CG-CD1 3.86Å; Y612-F620 HydrophobicContact CG-CD1 3.86Å; Y612-L621 CarbonylContact C-O 3.54Å; Y612-L621 WeakPolarHBondContact CA-O 3.41Å; Y612-L622 HydrophobicContact CE1-CD1 4.31Å; Y612-L653 HydrophobicContact CE1-CD1 4.26Å; Y612-L653 HydrophobicContact CE1-CD2 3.57Å; Y612-L653 WeakPolarHBondContact OH-CD2 2.93Å
613	V	91.6	Very high	85.8	Confident	26 Å²	26	68.4 Å²	68.4	16%	0.158	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165	175	-61.6	0	0	0	0	111.5	K611 F620 L621 E623 R647	K611-V613 HydrophobicContact CD-CG1 4.43Å; K611-V613 HydrophobicContact CG-CG1 4.17Å; V613-F620 PolarHBondContact O-N 2.94Å; V613-L621 HydrophobicContact CG2-CB 4.18Å; V613-L621 PolarHBondContact N-O 3.38Å; V613-L621 PolarHBondContact O-N 3.01Å; V613-E623 HydrophobicContact CB-CB 4.48Å; V613-E623 HydrophobicContact CG1-CB 3.86Å; V613-E623 HydrophobicContact CG1-CG 4.43Å; V613-E623 HydrophobicContact CG2-CB 3.76Å; V613-E623 HydrophobicContact CG2-CG 4.45Å; V613-R647 HydrophobicContact CG2-CG 3.91Å
614	G	86	Confident	85.9	Confident	49 Å²	49	61 Å²	61	51%	0.505	32%	0.323	S	S	.	.			trans	108.7	174.4	172.4	0	0	0	0	0	114.2	N618	G614-N618 VanDerWaalsContact CA-O 3.3Å; G614-N618 WeakPolarHBondContact CA-O 3.4Å
615	S	83.4	Confident	86	Confident	96 Å²	96	57.6 Å²	57.6	67%	0.671	31%	0.31	S	S	*	.			trans	-141.7	159.6	-174.6	64	0	0	0	0	111.6	R617 N618	S615-R617 PolarHBondContact O-N 3.43Å; S615-N618 PolarHBondContact O-N 3.48Å
616	G	79.7	Confident	86	Confident	48 Å²	48	61.7 Å²	61.7	50%	0.495	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	57.8	-121.5	-179.3	0	0	0	0	0	113.7	N618 R619	G616-N618 VanDerWaalsContact C-N 3.27Å; G616-N618 PolarHBondContact O-N 3.04Å; G616-R619 VanDerWaalsContact O-CG 3.27Å; G616-R619 WeakPolarHBondContact O-CG 3.21Å; G616-R619 PolarHBondContact O-NE 2.95Å
617	R	75.5	Confident	85.8	Confident	234 Å²	234	60.3 Å²	60.3	88%	0.883	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-75.6	-12.9	178.5	-69.2	-174.1	-178.9	-178.3	0.5	114.2	S615	S615-R617 PolarHBondContact O-N 3.43Å
618	N	82	Confident	85.4	Confident	101 Å²	101	64.2 Å²	64.2	54%	0.54	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-109.8	30.1	-179.6	-64	-25.5	0	0	0	111	G614 S615 G616 L621	G614-N618 VanDerWaalsContact CA-O 3.3Å; G614-N618 WeakPolarHBondContact CA-O 3.4Å; S615-N618 PolarHBondContact O-N 3.48Å; G616-N618 VanDerWaalsContact C-N 3.27Å; G616-N618 PolarHBondContact O-N 3.04Å; N618-L621 HydrophobicContact CB-CD1 4.12Å; N618-L621 WeakPolarHBondContact O-CG 3.46Å
619	R	87	Confident	84.9	Confident	72 Å²	72	61 Å²	61	27%	0.272	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	156.9	174.4	-72.4	-178.4	-72.4	163	3.7	110.1	G616 L621 L657 E664	G616-R619 VanDerWaalsContact O-CG 3.27Å; G616-R619 WeakPolarHBondContact O-CG 3.21Å; G616-R619 PolarHBondContact O-NE 2.95Å; R619-L621 VanDerWaalsContact C-N 3.27Å; R619-L621 PolarHBondContact O-N 2.86Å; R619-L657 HydrophobicContact CB-CD1 4.27Å; R619-E664 IonicContact CZ-OE1 3.01Å; R619-E664 IonicContact CZ-OE2 2.82Å; R619-E664 IonicContact NH1-OE1 3.33Å; R619-E664 PolarHBondContact NH1-OE1 3.05Å; R619-E664 VanDerWaalsContact NH1-OE1 3.14Å; R619-E664 IonicContact NH1-OE2 3.4Å; R619-E664 PolarHBondContact NH1-OE2 3.23Å; R619-E664 IonicContact NH2-OE1 2.91Å; R619-E664 IonicContact NH2-OE2 3.51Å; R619-E664 PolarHBondContact NH2-OE2 2.81Å
620	F	89.5	Confident	84	Confident	50 Å²	50	64 Å²	64	22%	0.219	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	27.6	177.1	-54.9	-81.7	0	0	0	115.7	L594 Y612 V613 L657 L660	L594-F620 HydrophobicContact CD1-CD1 4.06Å; L594-F620 HydrophobicContact CD1-CD2 4.33Å; L594-F620 HydrophobicContact CD1-CE1 3.88Å; L594-F620 HydrophobicContact CD1-CE2 4.16Å; L594-F620 HydrophobicContact CD1-CG 4.28Å; L594-F620 HydrophobicContact CD1-CZ 3.92Å; L594-F620 HydrophobicContact CD2-CB 4.49Å; L594-F620 HydrophobicContact CD2-CD1 4.41Å; L594-F620 HydrophobicContact CD2-CG 4.4Å; Y612-F620 HydrophobicContact CD1-CB 4Å; Y612-F620 HydrophobicContact CD1-CD1 4.36Å; Y612-F620 VanDerWaalsContact CD1-O 3.23Å; Y612-F620 WeakPolarHBondContact CD1-O 3.39Å; Y612-F620 AromaticContact CD2-CD1 3.82Å; Y612-F620 HydrophobicContact CD2-CD1 3.82Å; Y612-F620 HydrophobicContact CE1-CB 4.33Å; Y612-F620 WeakPolarHBondContact CE1-O 3.45Å; Y612-F620 HydrophobicContact CE2-CD1 4.28Å; Y612-F620 HydrophobicContact CG-CB 4.3Å; Y612-F620 AromaticContact CG-CD1 3.86Å; Y612-F620 HydrophobicContact CG-CD1 3.86Å; V613-F620 PolarHBondContact O-N 2.94Å; F620-L657 HydrophobicContact CD2-CD1 4.04Å; F620-L660 HydrophobicContact CD2-CD2 4.41Å; F620-L660 HydrophobicContact CE2-CD2 3.55Å; F620-L660 HydrophobicContact CZ-CD2 4.05Å
621	L	91.1	Very high	82.8	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.063	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.9	167.3	-64.9	178.2	0	0	0	110	Y612 V613 N618 R619 E623 R639 R647	Y612-L621 CarbonylContact C-O 3.54Å; Y612-L621 WeakPolarHBondContact CA-O 3.41Å; V613-L621 HydrophobicContact CG2-CB 4.18Å; V613-L621 PolarHBondContact N-O 3.38Å; V613-L621 PolarHBondContact O-N 3.01Å; N618-L621 HydrophobicContact CB-CD1 4.12Å; N618-L621 WeakPolarHBondContact O-CG 3.46Å; R619-L621 VanDerWaalsContact C-N 3.27Å; R619-L621 PolarHBondContact O-N 2.86Å; L621-E623 PolarHBondContact O-N 3.46Å; L621-R639 HydrophobicContact CD1-CB 4.21Å; L621-R639 HydrophobicContact CD2-CB 3.96Å; L621-R639 HydrophobicContact CD2-CG 3.72Å; L621-R647 HydrophobicContact CB-CB 4.37Å
622	L	90.4	Very high	81.5	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	106.4	179.7	-169.1	71.8	0	0	0	110.1	L598 A601 L605 A610 Y612 V624 F636 R647 F648 L653	L598-L622 HydrophobicContact CD1-CD1 3.6Å; A601-L622 HydrophobicContact CB-CD1 4.34Å; A601-L622 HydrophobicContact CB-CD2 3.86Å; L605-L622 HydrophobicContact CD1-CD2 3.56Å; A610-L622 HydrophobicContact CB-CD1 4.14Å; Y612-L622 HydrophobicContact CE1-CD1 4.31Å; L622-V624 HydrophobicContact CD2-CG2 4.06Å; L622-V624 HydrophobicContact CG-CG2 3.95Å; L622-F636 HydrophobicContact CD2-CD1 4.27Å; L622-F636 HydrophobicContact CD2-CE1 3.7Å; L622-R647 VanDerWaalsContact O-CA 3.31Å; L622-R647 WeakPolarHBondContact O-CA 3.37Å; L622-F648 PolarHBondContact N-O 3.45Å; L622-F648 PolarHBondContact O-N 3.47Å; L622-L653 HydrophobicContact CB-CD1 4.28Å
623	E	91.2	Very high	79.8	Confident	2 Å²	2	72 Å²	72	1%	0.009	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.7	175.5	-167.6	169.7	79.8	0	0	110	A610 K611 V613 L621 F645 R647	A610-E623 WeakPolarHBondContact CA-O 3.49Å; K611-E623 WeakPolarHBondContact CE-OE1 3.48Å; K611-E623 HydrophobicContact CG-CB 4.35Å; K611-E623 PolarHBondContact N-O 3.42Å; K611-E623 IonicContact NZ-OE1 2.75Å; K611-E623 PolarHBondContact O-N 3.22Å; V613-E623 HydrophobicContact CB-CB 4.48Å; V613-E623 HydrophobicContact CG1-CB 3.86Å; V613-E623 HydrophobicContact CG1-CG 4.43Å; V613-E623 HydrophobicContact CG2-CB 3.76Å; V613-E623 HydrophobicContact CG2-CG 4.45Å; L621-E623 PolarHBondContact O-N 3.46Å; E623-F645 HydrophobicContact CG-CB 3.74Å; E623-F645 HydrophobicContact CG-CD1 3.9Å; E623-F645 HydrophobicContact CG-CG 4.06Å; E623-R647 HydrophobicContact CB-CG 4.08Å; E623-R647 HydrophobicContact CG-CG 4.04Å; E623-R647 IonicContact OE2-CZ 3.86Å; E623-R647 VanDerWaalsContact OE2-CZ 3.29Å; E623-R647 IonicContact OE2-NE 3.27Å; E623-R647 PolarHBondContact OE2-NE 3.47Å; E623-R647 IonicContact OE2-NH2 3.89Å; E623-R647 PolarHBondContact OE2-NH2 3.18Å
624	V	88.1	Confident	78.6	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.1	-176.6	-172.5	0	0	0	0	108.9	L605 A610 L622 K628 F645 V646 F648	L605-V624 HydrophobicContact CD1-CG1 4.35Å; L605-V624 HydrophobicContact CD1-CG2 3.65Å; A610-V624 HydrophobicContact CB-CG2 4.36Å; L622-V624 HydrophobicContact CD2-CG2 4.06Å; L622-V624 HydrophobicContact CG-CG2 3.95Å; V624-K628 HydrophobicContact CG1-CB 4.1Å; V624-F645 CarbonylContact O-C 3.56Å; V624-F645 WeakPolarHBondContact O-CA 3.36Å; V624-V646 PolarHBondContact N-O 3.12Å; V624-V646 PolarHBondContact O-N 2.91Å; V624-F648 HydrophobicContact CB-CD2 4.48Å; V624-F648 HydrophobicContact CB-CE2 4.35Å; V624-F648 HydrophobicContact CG2-CD2 4.13Å; V624-F648 HydrophobicContact CG2-CE2 4.44Å
625	P	86.9	Confident	77.9	Confident	14 Å²	14	81.3 Å²	81.3	9%	0.091	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	138.4	172	-25.6	34.8	0	0	0	112.5	C607 D627 K628 C629 F645	C607-P625 VanDerWaalsContact SG-CD 3.54Å; P625-D627 WeakPolarHBondContact CB-OD1 3.14Å; P625-D627 PolarHBondContact O-N 3.19Å; P625-K628 PolarHBondContact O-N 3.39Å; P625-C629 PolarHBondContact O-SG 2.81Å; P625-F645 HydrophobicContact CB-CD1 4.45Å; P625-F645 HydrophobicContact CB-CE1 4.34Å; P625-F645 HydrophobicContact CG-CD1 4.18Å; P625-F645 HydrophobicContact CG-CE1 3.82Å
626	E	83.4	Confident	77.8	Confident	89 Å²	89	77.8 Å²	77.8	42%	0.416	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61	-31.5	-173.4	-165	161	-154.6	0	0	112.5	K628 C629 R641 G644 V646	E626-K628 PolarHBondContact O-N 3.35Å; E626-C629 WeakPolarHBondContact O-CB 3.35Å; E626-C629 PolarHBondContact O-N 3.35Å; E626-R641 IonicContact OE1-NH1 3.84Å; E626-G644 PolarHBondContact N-O 3.32Å; E626-V646 HydrophobicContact CB-CG2 4.14Å; E626-V646 HydrophobicContact CG-CG2 3.88Å
627	D	78.1	Confident	78	Confident	117 Å²	117	80.3 Å²	80.3	63%	0.626	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-67.8	-16.1	175.4	60.9	-55.4	0	0	0	114.4	P625	P625-D627 WeakPolarHBondContact CB-OD1 3.14Å; P625-D627 PolarHBondContact O-N 3.19Å
628	K	73.2	Confident	78.5	Confident	89 Å²	89	73 Å²	73	39%	0.387	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-104.1	3.2	177.7	-61.9	-63.9	178.6	-177.6	0	113.3	C607 V624 P625 E626 E630	C607-K628 HydrophobicContact CB-CB 4.49Å; C607-K628 HydrophobicContact CB-CG 4.43Å; V624-K628 HydrophobicContact CG1-CB 4.1Å; P625-K628 PolarHBondContact O-N 3.39Å; E626-K628 PolarHBondContact O-N 3.35Å; K628-E630 PolarHBondContact O-N 3.27Å
629	C	70.3	Confident	78.7	Confident	26 Å²	26	73.3 Å²	73.3	18%	0.176	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-80.5	-11.2	-173.9	-67.1	0	0	0	0	114.4	P625 E626 N631 V632 F648	P625-C629 PolarHBondContact O-SG 2.81Å; E626-C629 WeakPolarHBondContact O-CB 3.35Å; E626-C629 PolarHBondContact O-N 3.35Å; C629-N631 PolarHBondContact O-N 3.48Å; C629-V632 VanDerWaalsContact O-CB 3.27Å; C629-V632 WeakPolarHBondContact O-CB 3.44Å; C629-V632 VanDerWaalsContact O-CG2 3.31Å; C629-V632 WeakPolarHBondContact O-CG2 3.32Å; C629-V632 PolarHBondContact O-N 2.83Å; C629-F648 HydrophobicContact CB-CZ 4.29Å
630	E	65.4	Low	78.7	Confident	179 Å²	179	71.8 Å²	71.8	84%	0.836	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67	-23.3	179.5	-69.6	-171.9	160.5	0	0	113.6	K628 V632	K628-E630 PolarHBondContact O-N 3.27Å; E630-V632 PolarHBondContact O-N 3.42Å
631	N	61.2	Low	78.6	Confident	111 Å²	111	77.4 Å²	77.4	59%	0.594	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-83.8	5.9	178.2	-75.2	-24.5	0	0	0	114	C629 K633	C629-N631 PolarHBondContact O-N 3.48Å; N631-K633 PolarHBondContact O-N 2.56Å
632	V	63.5	Low	78.2	Confident	26 Å²	26	83.9 Å²	83.9	16%	0.158	40%	0.395	C	S	.	.			trans	-98.2	88.7	-170.7	-173.8	0	0	0	0	109.4	L605 C629 E630 F636 F648	L605-V632 HydrophobicContact CD2-CG2 3.58Å; C629-V632 VanDerWaalsContact O-CB 3.27Å; C629-V632 WeakPolarHBondContact O-CB 3.44Å; C629-V632 VanDerWaalsContact O-CG2 3.31Å; C629-V632 WeakPolarHBondContact O-CG2 3.32Å; C629-V632 PolarHBondContact O-N 2.83Å; E630-V632 PolarHBondContact O-N 3.42Å; V632-F636 HydrophobicContact CG1-CB 3.21Å; V632-F636 HydrophobicContact CG1-CD1 4.33Å; V632-F636 HydrophobicContact CG1-CD2 3.72Å; V632-F636 HydrophobicContact CG1-CG 3.52Å; V632-F648 HydrophobicContact CB-CZ 4.48Å; V632-F648 HydrophobicContact CG1-CD1 4.28Å; V632-F648 HydrophobicContact CG1-CE1 4.01Å; V632-F648 HydrophobicContact CG1-CE2 4.46Å; V632-F648 HydrophobicContact CG1-CZ 4.09Å; V632-F648 HydrophobicContact CG2-CE2 4.43Å; V632-F648 HydrophobicContact CG2-CZ 4.43Å
633	K	58.9	Low	77.9	Confident	171 Å²	171	93.7 Å²	93.7	74%	0.743	44%	0.437	S	S	*	.			trans	-106.9	137	178.2	-70.5	-174.3	179.6	179.1	0	112.6	N631 E635	N631-K633 PolarHBondContact O-N 2.56Å; K633-E635 PolarHBondContact O-N 3.45Å
634	N	65.4	Low	77.6	Confident	176 Å²	176	95.1 Å²	95.1	94%	0.941	45%	0.453	S	S	*	.	S	Bend	trans	51.8	-23.4	167.6	-66.6	-3.4	0	0	0	120.4
635	E	72.1	Confident	77.6	Confident	94 Å²	94	98.4 Å²	98.4	44%	0.439	47%	0.467	S	S	.	.	S	Bend	trans	-101.8	-9.3	-176	-72.5	178.5	-168.7	0	0	114.7	K604 K633 T650 P651	K604-E635 IonicContact NZ-OE1 3.26Å; K604-E635 PolarHBondContact NZ-OE1 3.42Å; K604-E635 IonicContact NZ-OE2 2.7Å; K604-E635 PolarHBondContact NZ-OE2 3.03Å; K633-E635 PolarHBondContact O-N 3.45Å; E635-T650 WeakPolarHBondContact O-CA 3.37Å; E635-T650 WeakPolarHBondContact O-CB 3.34Å; E635-P651 WeakPolarHBondContact O-CD 3.37Å
636	F	81.3	Confident	77.6	Confident	23 Å²	23	98 Å²	98	10%	0.101	46%	0.464	C	S	.	.			trans	-115.6	108	-175.2	-68.3	-100.9	0	0	0	109.4	L605 L622 V632 F648 S649 T650	L605-F636 HydrophobicContact CD1-CE1 4.3Å; L605-F636 HydrophobicContact CD2-CE1 4.47Å; L605-F636 HydrophobicContact CD2-CZ 4.22Å; L605-F636 HydrophobicContact CG-CZ 4.42Å; L622-F636 HydrophobicContact CD2-CD1 4.27Å; L622-F636 HydrophobicContact CD2-CE1 3.7Å; V632-F636 HydrophobicContact CG1-CB 3.21Å; V632-F636 HydrophobicContact CG1-CD1 4.33Å; V632-F636 HydrophobicContact CG1-CD2 3.72Å; V632-F636 HydrophobicContact CG1-CG 3.52Å; F636-F648 HydrophobicContact CB-CB 4Å; F636-F648 HydrophobicContact CB-CD1 3.9Å; F636-F648 HydrophobicContact CB-CG 4.05Å; F636-F648 HydrophobicContact CD1-CB 4.02Å; F636-F648 HydrophobicContact CD1-CG 4.48Å; F636-S649 CarbonylContact C-O 3.46Å; F636-S649 WeakPolarHBondContact CA-O 3.24Å; F636-T650 HydrophobicContact CB-CG2 4.49Å; F636-T650 HydrophobicContact CD1-CG2 3.29Å; F636-T650 HydrophobicContact CD2-CG2 4.38Å; F636-T650 HydrophobicContact CE1-CG2 3.44Å; F636-T650 VanDerWaalsContact CE1-CG2 3.44Å; F636-T650 HydrophobicContact CE2-CG2 4.5Å; F636-T650 HydrophobicContact CG-CG2 3.8Å; F636-T650 HydrophobicContact CZ-CG2 4.06Å
637	E	84.1	Confident	77.9	Confident	100 Å²	100	96.6 Å²	96.6	47%	0.467	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.9	178.4	-165.8	-171.7	164.5	0	0	109.7	R639 F648 S649	E637-R639 VanDerWaalsContact CD-NH1 3.25Å; E637-R639 PolarHBondContact O-N 2.94Å; E637-R639 IonicContact OE1-CZ 3.45Å; E637-R639 IonicContact OE1-NH1 2.74Å; E637-R639 PolarHBondContact OE1-NH1 2.95Å; E637-R639 IonicContact OE1-NH2 3.16Å; E637-R639 IonicContact OE2-CZ 2.69Å; E637-R639 VanDerWaalsContact OE2-CZ 3.27Å; E637-R639 IonicContact OE2-NH1 3.12Å; E637-R639 PolarHBondContact OE2-NH1 2.59Å; E637-R639 IonicContact OE2-NH2 2.6Å; E637-R639 PolarHBondContact OE2-NH2 3.05Å; E637-F648 CarbonylContact O-C 3.5Å; E637-F648 VanDerWaalsContact O-CA 3.26Å; E637-F648 WeakPolarHBondContact O-CA 3.42Å; E637-S649 PolarHBondContact N-O 3.09Å; E637-S649 PolarHBondContact O-N 3.43Å
638	L	85.9	Confident	78.4	Confident	80 Å²	80	91.8 Å²	91.8	42%	0.419	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	119.5	177.3	176.5	66.4	0	0	0	110.5	R641 V646 F648	L638-R641 HydrophobicContact CD1-CG 4.17Å; L638-V646 HydrophobicContact CD1-CG1 3.12Å; L638-F648 HydrophobicContact CB-CD1 4.38Å; L638-F648 HydrophobicContact CB-CE1 4.33Å; L638-F648 HydrophobicContact CD1-CD1 4.47Å; L638-F648 HydrophobicContact CD1-CE1 4.16Å
639	R	86.5	Confident	79.2	Confident	108 Å²	108	87.7 Å²	87.7	41%	0.408	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-39.8	177.6	-70.2	-72.2	-167.3	-136	-12.2	113.1	L621 E637 R647 D654	L621-R639 HydrophobicContact CD1-CB 4.21Å; L621-R639 HydrophobicContact CD2-CB 3.96Å; L621-R639 HydrophobicContact CD2-CG 3.72Å; E637-R639 VanDerWaalsContact CD-NH1 3.25Å; E637-R639 PolarHBondContact O-N 2.94Å; E637-R639 IonicContact OE1-CZ 3.45Å; E637-R639 IonicContact OE1-NH1 2.74Å; E637-R639 PolarHBondContact OE1-NH1 2.95Å; E637-R639 IonicContact OE1-NH2 3.16Å; E637-R639 IonicContact OE2-CZ 2.69Å; E637-R639 VanDerWaalsContact OE2-CZ 3.27Å; E637-R639 IonicContact OE2-NH1 3.12Å; E637-R639 PolarHBondContact OE2-NH1 2.59Å; E637-R639 IonicContact OE2-NH2 2.6Å; E637-R639 PolarHBondContact OE2-NH2 3.05Å; R639-R647 PolarHBondContact N-O 3.39Å; R639-D654 IonicContact NH2-OD1 3.5Å; R639-D654 IonicContact NH2-OD2 2.77Å; R639-D654 PolarHBondContact NH2-OD2 2.92Å; R639-D654 VanDerWaalsContact NH2-OD2 3.16Å
640	S	86.4	Confident	80.1	Confident	41 Å²	41	86.6 Å²	86.6	29%	0.287	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	169	177.2	55.4	0	0	0	0	112.9	R647	S640-R647 PolarHBondContact N-O 2.83Å; S640-R647 PolarHBondContact O-N 3.48Å; S640-R647 VanDerWaalsContact OG-CD 3.28Å; S640-R647 WeakPolarHBondContact OG-CD 3.32Å
641	R	86.8	Confident	81.3	Confident	168 Å²	168	82.5 Å²	82.5	63%	0.634	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.2	175.3	-64.2	-172.4	-175.4	-165.8	5.8	111.1	E626 L638 V646	E626-R641 IonicContact OE1-NH1 3.84Å; L638-R641 HydrophobicContact CD1-CG 4.17Å; R641-V646 HydrophobicContact CG-CG1 4.24Å; R641-V646 HydrophobicContact CG-CG2 4.42Å
642	R	84	Confident	82.7	Confident	148 Å²	148	81.2 Å²	81.2	56%	0.558	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	153.1	168.2	179.3	-178.4	179.7	-165	1	107.2	G644 F645	R642-G644 PolarHBondContact O-N 3.2Å; R642-F645 CarbonylContact C-O 3.53Å; R642-F645 PolarHBondContact N-O 3.06Å; R642-F645 CarbonylContact O-C 3.49Å; R642-F645 PolarHBondContact O-N 3.46Å
643	K	83.4	Confident	84	Confident	206 Å²	206	80.1 Å²	80.1	90%	0.896	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	113.2	177.4	-165.7	174.7	-177.5	178.4	0	110.9
644	G	84.6	Confident	85.5	Confident	32 Å²	32	74.5 Å²	74.5	33%	0.33	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-1.8	-178.9	0	0	0	0	0	116.6	E626 R642	E626-G644 PolarHBondContact N-O 3.32Å; R642-G644 PolarHBondContact O-N 3.2Å
645	F	87.9	Confident	86.8	Confident	68 Å²	68	71.2 Å²	71.2	30%	0.298	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	140.7	-177.8	-66.5	-92.1	0	0	0	112.5	E623 V624 P625 R642	E623-F645 HydrophobicContact CG-CB 3.74Å; E623-F645 HydrophobicContact CG-CD1 3.9Å; E623-F645 HydrophobicContact CG-CG 4.06Å; V624-F645 CarbonylContact O-C 3.56Å; V624-F645 WeakPolarHBondContact O-CA 3.36Å; P625-F645 HydrophobicContact CB-CD1 4.45Å; P625-F645 HydrophobicContact CB-CE1 4.34Å; P625-F645 HydrophobicContact CG-CD1 4.18Å; P625-F645 HydrophobicContact CG-CE1 3.82Å; R642-F645 CarbonylContact C-O 3.53Å; R642-F645 PolarHBondContact N-O 3.06Å; R642-F645 CarbonylContact O-C 3.49Å; R642-F645 PolarHBondContact O-N 3.46Å
646	V	87.5	Confident	87.9	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	177.1	-172.6	0	0	0	0	109.1	V624 E626 L638 R641 F648	V624-V646 PolarHBondContact N-O 3.12Å; V624-V646 PolarHBondContact O-N 2.91Å; E626-V646 HydrophobicContact CB-CG2 4.14Å; E626-V646 HydrophobicContact CG-CG2 3.88Å; L638-V646 HydrophobicContact CD1-CG1 3.12Å; R641-V646 HydrophobicContact CG-CG1 4.24Å; R641-V646 HydrophobicContact CG-CG2 4.42Å; V646-F648 HydrophobicContact CB-CE2 3.73Å; V646-F648 HydrophobicContact CB-CZ 3.93Å; V646-F648 HydrophobicContact CG1-CD2 4.21Å; V646-F648 HydrophobicContact CG1-CE1 3.85Å; V646-F648 HydrophobicContact CG1-CE2 3.51Å; V646-F648 HydrophobicContact CG1-CZ 3.3Å
647	R	90.1	Very high	88.4	Confident	61 Å²	61	66.7 Å²	66.7	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.4	-178.4	-66.5	170.4	-176.8	174.7	-3.4	110.4	V613 L621 L622 E623 R639 S640	V613-R647 HydrophobicContact CG2-CG 3.91Å; L621-R647 HydrophobicContact CB-CB 4.37Å; L622-R647 VanDerWaalsContact O-CA 3.31Å; L622-R647 WeakPolarHBondContact O-CA 3.37Å; E623-R647 HydrophobicContact CB-CG 4.08Å; E623-R647 HydrophobicContact CG-CG 4.04Å; E623-R647 IonicContact OE2-CZ 3.86Å; E623-R647 VanDerWaalsContact OE2-CZ 3.29Å; E623-R647 IonicContact OE2-NE 3.27Å; E623-R647 PolarHBondContact OE2-NE 3.47Å; E623-R647 IonicContact OE2-NH2 3.89Å; E623-R647 PolarHBondContact OE2-NH2 3.18Å; R639-R647 PolarHBondContact N-O 3.39Å; S640-R647 PolarHBondContact N-O 2.83Å; S640-R647 PolarHBondContact O-N 3.48Å; S640-R647 VanDerWaalsContact OG-CD 3.28Å; S640-R647 WeakPolarHBondContact OG-CD 3.32Å
648	F	88.4	Confident	88.8	Confident	16 Å²	16	67.6 Å²	67.6	7%	0.07	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152.5	-178.8	-59.4	-82.8	0	0	0	111.7	L622 V624 C629 V632 F636 E637 L638 V646	L622-F648 PolarHBondContact N-O 3.45Å; L622-F648 PolarHBondContact O-N 3.47Å; V624-F648 HydrophobicContact CB-CD2 4.48Å; V624-F648 HydrophobicContact CB-CE2 4.35Å; V624-F648 HydrophobicContact CG2-CD2 4.13Å; V624-F648 HydrophobicContact CG2-CE2 4.44Å; C629-F648 HydrophobicContact CB-CZ 4.29Å; V632-F648 HydrophobicContact CB-CZ 4.48Å; V632-F648 HydrophobicContact CG1-CD1 4.28Å; V632-F648 HydrophobicContact CG1-CE1 4.01Å; V632-F648 HydrophobicContact CG1-CE2 4.46Å; V632-F648 HydrophobicContact CG1-CZ 4.09Å; V632-F648 HydrophobicContact CG2-CE2 4.43Å; V632-F648 HydrophobicContact CG2-CZ 4.43Å; F636-F648 HydrophobicContact CB-CB 4Å; F636-F648 HydrophobicContact CB-CD1 3.9Å; F636-F648 HydrophobicContact CB-CG 4.05Å; F636-F648 HydrophobicContact CD1-CB 4.02Å; F636-F648 HydrophobicContact CD1-CG 4.48Å; E637-F648 CarbonylContact O-C 3.5Å; E637-F648 VanDerWaalsContact O-CA 3.26Å; E637-F648 WeakPolarHBondContact O-CA 3.42Å; L638-F648 HydrophobicContact CB-CD1 4.38Å; L638-F648 HydrophobicContact CB-CE1 4.33Å; L638-F648 HydrophobicContact CD1-CD1 4.47Å; L638-F648 HydrophobicContact CD1-CE1 4.16Å; V646-F648 HydrophobicContact CB-CE2 3.73Å; V646-F648 HydrophobicContact CB-CZ 3.93Å; V646-F648 HydrophobicContact CG1-CD2 4.21Å; V646-F648 HydrophobicContact CG1-CE1 3.85Å; V646-F648 HydrophobicContact CG1-CE2 3.51Å; V646-F648 HydrophobicContact CG1-CZ 3.3Å
649	S	89.2	Confident	89.2	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	160.1	156.2	-160.9	0	0	0	0	109.9	F636 E637 D654	F636-S649 CarbonylContact C-O 3.46Å; F636-S649 WeakPolarHBondContact CA-O 3.24Å; E637-S649 PolarHBondContact N-O 3.09Å; E637-S649 PolarHBondContact O-N 3.43Å; S649-D654 WeakPolarHBondContact CB-OD1 3.24Å; S649-D654 PolarHBondContact OG-OD1 3Å; S649-D654 PolarHBondContact OG-OD2 3.33Å
650	T	89.8	Confident	89.6	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.012	29%	0.29	C	S	.	.			trans	-126.8	156.8	170.7	69.4	0	0	0	0	109	Y597 E635 F636 K652 L653 D654	Y597-T650 HydrophobicContact CE1-CG2 4.4Å; Y597-T650 WeakPolarHBondContact OH-CB 3.38Å; Y597-T650 WeakPolarHBondContact OH-CG2 3.29Å; Y597-T650 PolarHBondContact OH-OG1 2.95Å; E635-T650 WeakPolarHBondContact O-CA 3.37Å; E635-T650 WeakPolarHBondContact O-CB 3.34Å; F636-T650 HydrophobicContact CB-CG2 4.49Å; F636-T650 HydrophobicContact CD1-CG2 3.29Å; F636-T650 HydrophobicContact CD2-CG2 4.38Å; F636-T650 HydrophobicContact CE1-CG2 3.44Å; F636-T650 VanDerWaalsContact CE1-CG2 3.44Å; F636-T650 HydrophobicContact CE2-CG2 4.5Å; F636-T650 HydrophobicContact CG-CG2 3.8Å; F636-T650 HydrophobicContact CZ-CG2 4.06Å; T650-K652 PolarHBondContact O-N 3.35Å; T650-K652 VanDerWaalsContact O-N 3.1Å; T650-L653 HydrophobicContact CG2-CD1 4.21Å; T650-L653 WeakPolarHBondContact O-CB 3.39Å; T650-L653 PolarHBondContact O-N 3.17Å; T650-L653 WeakPolarHBondContact OG1-CG 3.33Å; T650-L653 PolarHBondContact OG1-N 2.66Å; T650-L653 VanDerWaalsContact OG1-N 3.13Å; T650-D654 PolarHBondContact O-N 3.41Å
651	P	89.9	Confident	89.9	Confident	94 Å²	94	62.5 Å²	62.5	61%	0.61	30%	0.295	S	S	*	.	H	α-helix	trans	-52.7	-35.9	176	-28.4	34.6	0	0	0	113.1	E635 Q655	E635-P651 WeakPolarHBondContact O-CD 3.37Å; P651-Q655 WeakPolarHBondContact O-CB 3.09Å; P651-Q655 PolarHBondContact O-N 3.28Å
652	K	90.2	Very high	90.2	Very high	83 Å²	83	60.2 Å²	60.2	36%	0.361	29%	0.291	S	S	.	.	H	α-helix	trans	-71.5	-38	176.6	-174.7	57.8	179.5	172.1	0	112.8	Y597 T650 L656	Y597-K652 HydrophobicContact CD2-CB 4.19Å; Y597-K652 HydrophobicContact CD2-CG 3.63Å; Y597-K652 HydrophobicContact CE2-CB 3.59Å; Y597-K652 HydrophobicContact CE2-CG 3.53Å; Y597-K652 HydrophobicContact CG-CG 4.5Å; T650-K652 PolarHBondContact O-N 3.35Å; T650-K652 VanDerWaalsContact O-N 3.1Å; K652-L656 HydrophobicContact CD-CD1 4.48Å; K652-L656 HydrophobicContact CD-CG 4.4Å; K652-L656 HydrophobicContact CG-CD1 4.27Å; K652-L656 WeakPolarHBondContact O-CB 3.41Å; K652-L656 WeakPolarHBondContact O-CG 3.08Å; K652-L656 PolarHBondContact O-N 2.99Å
653	L	91.4	Very high	90.8	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-44.3	174.4	-73.6	173.4	0	0	0	111.4	L594 Y597 Y612 L622 T650 Q655 L656 L657	L594-L653 HydrophobicContact CD2-CD2 4Å; Y597-L653 HydrophobicContact CD1-CD1 4.43Å; Y597-L653 HydrophobicContact CD1-CD2 3.58Å; Y597-L653 HydrophobicContact CD1-CG 3.85Å; Y597-L653 HydrophobicContact CE1-CD1 4Å; Y597-L653 HydrophobicContact CE1-CD2 3.91Å; Y597-L653 HydrophobicContact CE1-CG 3.61Å; Y597-L653 HydrophobicContact CG-CD2 4.43Å; Y612-L653 HydrophobicContact CE1-CD1 4.26Å; Y612-L653 HydrophobicContact CE1-CD2 3.57Å; Y612-L653 WeakPolarHBondContact OH-CD2 2.93Å; L622-L653 HydrophobicContact CB-CD1 4.28Å; T650-L653 HydrophobicContact CG2-CD1 4.21Å; T650-L653 WeakPolarHBondContact O-CB 3.39Å; T650-L653 PolarHBondContact O-N 3.17Å; T650-L653 WeakPolarHBondContact OG1-CG 3.33Å; T650-L653 PolarHBondContact OG1-N 2.66Å; T650-L653 VanDerWaalsContact OG1-N 3.13Å; L653-Q655 VanDerWaalsContact C-N 3.31Å; L653-Q655 PolarHBondContact O-N 2.85Å; L653-L656 PolarHBondContact O-N 3.26Å; L653-L657 VanDerWaalsContact O-CB 3.23Å; L653-L657 WeakPolarHBondContact O-CB 3.45Å; L653-L657 PolarHBondContact O-N 2.71Å
654	D	90.7	Very high	91.3	Very high	53 Å²	53	47.3 Å²	47.3	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-61.1	-42	176.7	-72.8	-25.4	0	0	0	110.4	R639 S649 T650 L657 E658	R639-D654 IonicContact NH2-OD1 3.5Å; R639-D654 IonicContact NH2-OD2 2.77Å; R639-D654 PolarHBondContact NH2-OD2 2.92Å; R639-D654 VanDerWaalsContact NH2-OD2 3.16Å; S649-D654 WeakPolarHBondContact CB-OD1 3.24Å; S649-D654 PolarHBondContact OG-OD1 3Å; S649-D654 PolarHBondContact OG-OD2 3.33Å; T650-D654 PolarHBondContact O-N 3.41Å; D654-L657 PolarHBondContact O-N 3.39Å; D654-E658 WeakPolarHBondContact O-CB 3.38Å; D654-E658 PolarHBondContact O-N 3.06Å
655	Q	93.1	Very high	91.7	Very high	107 Å²	107	48.6 Å²	48.6	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-49.8	174.1	-173.7	-172.4	19.7	0	0	112.6	P651 L653 L657 E658 E659	P651-Q655 WeakPolarHBondContact O-CB 3.09Å; P651-Q655 PolarHBondContact O-N 3.28Å; L653-Q655 VanDerWaalsContact C-N 3.31Å; L653-Q655 PolarHBondContact O-N 2.85Å; Q655-L657 VanDerWaalsContact C-N 3.32Å; Q655-L657 PolarHBondContact O-N 3.24Å; Q655-E658 PolarHBondContact O-N 2.79Å; Q655-E659 PolarHBondContact O-N 3.46Å
656	L	93.8	Very high	91.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-36.8	179.7	-72.6	171.6	0	0	0	111.7	I590 D593 L594 K652 L653 L660	I590-L656 HydrophobicContact CG2-CD2 4.4Å; D593-L656 HydrophobicContact CB-CD1 4.38Å; D593-L656 HydrophobicContact CB-CD2 3.89Å; L594-L656 HydrophobicContact CD2-CB 3.83Å; L594-L656 HydrophobicContact CD2-CD1 3.88Å; L594-L656 HydrophobicContact CG-CB 4.22Å; L594-L656 HydrophobicContact CG-CD1 4.18Å; K652-L656 HydrophobicContact CD-CD1 4.48Å; K652-L656 HydrophobicContact CD-CG 4.4Å; K652-L656 HydrophobicContact CG-CD1 4.27Å; K652-L656 WeakPolarHBondContact O-CB 3.41Å; K652-L656 WeakPolarHBondContact O-CG 3.08Å; K652-L656 PolarHBondContact O-N 2.99Å; L653-L656 PolarHBondContact O-N 3.26Å; L656-L660 VanDerWaalsContact O-CB 3.25Å; L656-L660 WeakPolarHBondContact O-CB 3.44Å; L656-L660 PolarHBondContact O-N 3.48Å
657	L	92.6	Very high	92.3	Very high	22 Å²	22	53.9 Å²	53.9	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-67.5	-40.1	176.3	177.6	62.6	0	0	0	111.7	R619 F620 L653 D654 Q655 T661	R619-L657 HydrophobicContact CB-CD1 4.27Å; F620-L657 HydrophobicContact CD2-CD1 4.04Å; L653-L657 VanDerWaalsContact O-CB 3.23Å; L653-L657 WeakPolarHBondContact O-CB 3.45Å; L653-L657 PolarHBondContact O-N 2.71Å; D654-L657 PolarHBondContact O-N 3.39Å; Q655-L657 VanDerWaalsContact C-N 3.32Å; Q655-L657 PolarHBondContact O-N 3.24Å; L657-T661 VanDerWaalsContact O-CB 3.32Å; L657-T661 WeakPolarHBondContact O-CB 3.26Å; L657-T661 PolarHBondContact O-N 3.02Å; L657-T661 PolarHBondContact O-OG1 3.02Å
658	E	92.2	Very high	92.3	Very high	119 Å²	119	56 Å²	56	56%	0.556	28%	0.282	S	S	*	.	H	α-helix	trans	-63.7	-48.9	174.4	-177.8	171.4	-164.2	0	0	111	D654 Q655 L660 T661 Q662	D654-E658 WeakPolarHBondContact O-CB 3.38Å; D654-E658 PolarHBondContact O-N 3.06Å; Q655-E658 PolarHBondContact O-N 2.79Å; E658-L660 VanDerWaalsContact C-N 3.33Å; E658-L660 PolarHBondContact O-N 3.19Å; E658-T661 PolarHBondContact O-N 3.01Å; E658-Q662 WeakPolarHBondContact O-CG 3.45Å; E658-Q662 PolarHBondContact O-N 2.62Å; E658-Q662 PolarHBondContact OE1-NE2 3.2Å
659	E	94.7	Very high	92.4	Very high	57 Å²	57	57.3 Å²	57.3	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-58.6	-44.2	176.1	-166.9	-177.3	168.4	0	0	111.2	R589 I590 Q655 Q662 T663	R589-E659 IonicContact CZ-OE1 3.08Å; R589-E659 IonicContact NH1-OE1 2.95Å; R589-E659 IonicContact NH2-OE1 3.97Å; R589-E659 PolarHBondContact NH2-OE1 2.96Å; I590-E659 HydrophobicContact CD1-CB 4.36Å; I590-E659 HydrophobicContact CD1-CG 3.73Å; I590-E659 HydrophobicContact CG1-CG 4.23Å; Q655-E659 PolarHBondContact O-N 3.46Å; E659-Q662 PolarHBondContact O-N 2.76Å; E659-T663 WeakPolarHBondContact O-CB 3.34Å; E659-T663 PolarHBondContact O-N 3.39Å; E659-T663 PolarHBondContact O-OG1 3.4Å
660	L	94.5	Very high	92.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-46.4	176.1	-176.3	61	0	0	0	111.4	I587 I590 L594 F620 L656 E658 Q662 T663 E664	I587-L660 HydrophobicContact CG1-CD1 4.47Å; I587-L660 HydrophobicContact CG2-CD1 4.15Å; I590-L660 HydrophobicContact CG2-CB 3.88Å; I590-L660 HydrophobicContact CG2-CD1 4.24Å; L594-L660 HydrophobicContact CD1-CD2 4.13Å; F620-L660 HydrophobicContact CD2-CD2 4.41Å; F620-L660 HydrophobicContact CE2-CD2 3.55Å; F620-L660 HydrophobicContact CZ-CD2 4.05Å; L656-L660 VanDerWaalsContact O-CB 3.25Å; L656-L660 WeakPolarHBondContact O-CB 3.44Å; L656-L660 PolarHBondContact O-N 3.48Å; E658-L660 VanDerWaalsContact C-N 3.33Å; E658-L660 PolarHBondContact O-N 3.19Å; L660-Q662 PolarHBondContact O-N 3.21Å; L660-T663 PolarHBondContact O-N 3.45Å; L660-E664 HydrophobicContact CD1-CG 4.16Å; L660-E664 HydrophobicContact CG-CG 4.26Å; L660-E664 WeakPolarHBondContact O-CB 3.39Å; L660-E664 WeakPolarHBondContact O-CG 3.46Å; L660-E664 PolarHBondContact O-N 3.37Å
661	T	92.4	Very high	92.6	Very high	63 Å²	63	59 Å²	59	39%	0.387	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-41.7	-178.6	-57.9	0	0	0	0	111.3	L657 E658 A665	L657-T661 VanDerWaalsContact O-CB 3.32Å; L657-T661 WeakPolarHBondContact O-CB 3.26Å; L657-T661 PolarHBondContact O-N 3.02Å; L657-T661 PolarHBondContact O-OG1 3.02Å; E658-T661 PolarHBondContact O-N 3.01Å; T661-A665 WeakPolarHBondContact O-CB 3.36Å; T661-A665 PolarHBondContact O-N 3Å
662	Q	93.8	Very high	92.4	Very high	120 Å²	120	61.9 Å²	61.9	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-65	-40.8	175.3	-69.4	177.9	12.8	0	0	111.4	E658 E659 L660 A665 K666	E658-Q662 WeakPolarHBondContact O-CG 3.45Å; E658-Q662 PolarHBondContact O-N 2.62Å; E658-Q662 PolarHBondContact OE1-NE2 3.2Å; E659-Q662 PolarHBondContact O-N 2.76Å; L660-Q662 PolarHBondContact O-N 3.21Å; Q662-A665 PolarHBondContact O-N 3.04Å; Q662-K666 PolarHBondContact O-N 2.7Å
663	T	95.5	Very high	92.4	Very high	21 Å²	21	58.9 Å²	58.9	13%	0.129	30%	0.3	C	S	.	.	H	α-helix	trans	-71.2	-39.8	179.8	-51	0	0	0	0	111.8	V583 A586 I587 I590 E659 L660 K666 R667	V583-T663 HydrophobicContact CG1-CG2 3.92Å; A586-T663 HydrophobicContact CB-CG2 4.03Å; I587-T663 HydrophobicContact CD1-CG2 4.22Å; I587-T663 HydrophobicContact CG1-CG2 3.57Å; I590-T663 HydrophobicContact CD1-CG2 4.49Å; E659-T663 WeakPolarHBondContact O-CB 3.34Å; E659-T663 PolarHBondContact O-N 3.39Å; E659-T663 PolarHBondContact O-OG1 3.4Å; L660-T663 PolarHBondContact O-N 3.45Å; T663-K666 WeakPolarHBondContact O-CB 3.48Å; T663-K666 PolarHBondContact O-N 3.02Å; T663-R667 PolarHBondContact O-N 3.35Å
664	E	94.2	Very high	92.5	Very high	63 Å²	63	58.9 Å²	58.9	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-43.5	171.6	-76.6	179.8	156.2	0	0	111.2	R619 L660 R667 E668	R619-E664 IonicContact CZ-OE1 3.01Å; R619-E664 IonicContact CZ-OE2 2.82Å; R619-E664 IonicContact NH1-OE1 3.33Å; R619-E664 PolarHBondContact NH1-OE1 3.05Å; R619-E664 VanDerWaalsContact NH1-OE1 3.14Å; R619-E664 IonicContact NH1-OE2 3.4Å; R619-E664 PolarHBondContact NH1-OE2 3.23Å; R619-E664 IonicContact NH2-OE1 2.91Å; R619-E664 IonicContact NH2-OE2 3.51Å; R619-E664 PolarHBondContact NH2-OE2 2.81Å; L660-E664 HydrophobicContact CD1-CG 4.16Å; L660-E664 HydrophobicContact CG-CG 4.26Å; L660-E664 WeakPolarHBondContact O-CB 3.39Å; L660-E664 WeakPolarHBondContact O-CG 3.46Å; L660-E664 PolarHBondContact O-N 3.37Å; E664-R667 WeakPolarHBondContact O-CB 3.24Å; E664-R667 PolarHBondContact O-N 3.03Å; E664-E668 PolarHBondContact O-N 3.2Å
665	A	92.7	Very high	92.6	Very high	59 Å²	59	57.3 Å²	57.3	49%	0.488	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-40	175.8	0	0	0	0	0	112	T661 Q662 R667 E668 G669	T661-A665 WeakPolarHBondContact O-CB 3.36Å; T661-A665 PolarHBondContact O-N 3Å; Q662-A665 PolarHBondContact O-N 3.04Å; A665-R667 VanDerWaalsContact C-N 3.34Å; A665-E668 PolarHBondContact O-N 3.27Å; A665-G669 PolarHBondContact O-N 3.46Å
666	K	94.1	Very high	92.6	Very high	108 Å²	108	54.7 Å²	54.7	47%	0.47	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-44	172.4	-173.8	177.8	177.7	-174.1	0	110.9	V583 Q662 T663 E668 G669 V670	V583-K666 HydrophobicContact CG2-CD 3.84Å; V583-K666 HydrophobicContact CG2-CG 4.06Å; Q662-K666 PolarHBondContact O-N 2.7Å; T663-K666 WeakPolarHBondContact O-CB 3.48Å; T663-K666 PolarHBondContact O-N 3.02Å; K666-E668 PolarHBondContact O-N 2.85Å; K666-G669 PolarHBondContact O-N 3.2Å; K666-V670 WeakPolarHBondContact O-CG2 3.35Å; K666-V670 PolarHBondContact O-N 2.95Å
667	R	94.6	Very high	92.5	Very high	76 Å²	76	58 Å²	58	29%	0.287	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-46.1	176.5	-168.1	-179.4	-178.2	-91.3	-5.6	112	L580 V583 D584 I587 T663 E664 A665 G669 V670 L671	L580-R667 HydrophobicContact CD1-CG 4.05Å; V583-R667 HydrophobicContact CG1-CB 3.55Å; V583-R667 HydrophobicContact CG1-CG 4.04Å; D584-R667 WeakPolarHBondContact OD1-CD 3.35Å; D584-R667 IonicContact OD1-CZ 2.82Å; D584-R667 IonicContact OD1-NE 2.84Å; D584-R667 PolarHBondContact OD1-NE 3.38Å; D584-R667 IonicContact OD1-NH2 3.94Å; D584-R667 IonicContact OD2-NH2 2.75Å; I587-R667 HydrophobicContact CD1-CB 4.19Å; I587-R667 HydrophobicContact CD1-CG 4.39Å; T663-R667 PolarHBondContact O-N 3.35Å; E664-R667 WeakPolarHBondContact O-CB 3.24Å; E664-R667 PolarHBondContact O-N 3.03Å; A665-R667 VanDerWaalsContact C-N 3.34Å; R667-G669 VanDerWaalsContact C-N 3.31Å; R667-G669 PolarHBondContact O-N 3.5Å; R667-V670 PolarHBondContact O-N 3.48Å; R667-L671 HydrophobicContact CG-CD1 4.22Å; R667-L671 WeakPolarHBondContact O-CB 3.48Å; R667-L671 WeakPolarHBondContact O-CG 3.44Å; R667-L671 PolarHBondContact O-N 2.78Å
668	E	91.4	Very high	92.7	Very high	106 Å²	106	57.3 Å²	57.3	50%	0.495	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.6	-167.7	-170.6	153.8	0	0	111.5	E664 A665 K666 L671 K672	E664-E668 PolarHBondContact O-N 3.2Å; A665-E668 PolarHBondContact O-N 3.27Å; K666-E668 PolarHBondContact O-N 2.85Å; E668-L671 PolarHBondContact O-N 3.49Å; E668-K672 WeakPolarHBondContact O-CG 3.26Å; E668-K672 PolarHBondContact O-N 3.37Å; E668-K672 WeakPolarHBondContact OE1-CE 3.31Å; E668-K672 IonicContact OE1-NZ 3.35Å; E668-K672 PolarHBondContact OE1-NZ 3.37Å
669	G	89.5	Confident	92.8	Very high	42 Å²	42	51.8 Å²	51.8	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-46.4	174.4	0	0	0	0	0	112.9	A665 K666 R667 K672 D673	A665-G669 PolarHBondContact O-N 3.46Å; K666-G669 PolarHBondContact O-N 3.2Å; R667-G669 VanDerWaalsContact C-N 3.31Å; R667-G669 PolarHBondContact O-N 3.5Å; G669-K672 PolarHBondContact O-N 3.46Å; G669-D673 PolarHBondContact O-N 3.01Å
670	V	91.8	Very high	92.8	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-45.8	177	176.4	0	0	0	0	111	E579 L580 K666 R667 K672 D673 I674	E579-V670 HydrophobicContact CG-CG2 4Å; L580-V670 HydrophobicContact CB-CG1 3.97Å; L580-V670 HydrophobicContact CD1-CG1 4.29Å; K666-V670 WeakPolarHBondContact O-CG2 3.35Å; K666-V670 PolarHBondContact O-N 2.95Å; R667-V670 PolarHBondContact O-N 3.48Å; V670-K672 VanDerWaalsContact C-N 3.28Å; V670-K672 PolarHBondContact O-N 3.33Å; V670-D673 PolarHBondContact O-N 3.05Å; V670-D673 VanDerWaalsContact O-N 3.1Å; V670-I674 PolarHBondContact O-N 2.78Å
671	L	91	Very high	92.8	Very high	35 Å²	35	53.1 Å²	53.1	18%	0.183	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-30.1	178.7	-74.9	174.3	0	0	0	113.3	L580 R667 E668 D673 I674	L580-L671 HydrophobicContact CD1-CD2 4.06Å; L580-L671 HydrophobicContact CD1-CG 4.18Å; L580-L671 HydrophobicContact CD2-CD2 4.01Å; R667-L671 HydrophobicContact CG-CD1 4.22Å; R667-L671 WeakPolarHBondContact O-CB 3.48Å; R667-L671 WeakPolarHBondContact O-CG 3.44Å; R667-L671 PolarHBondContact O-N 2.78Å; E668-L671 PolarHBondContact O-N 3.49Å; L671-D673 VanDerWaalsContact C-N 3.34Å; L671-I674 WeakPolarHBondContact O-CG2 3.43Å
672	K	86.5	Confident	93	Very high	154 Å²	154	50.1 Å²	50.1	67%	0.67	25%	0.254	S	S	*	.	H	α-helix	trans	-67.9	-33.3	173.9	-78.1	175.4	-177.2	167.2	0	112.7	E668 G669 V670	E668-K672 WeakPolarHBondContact O-CG 3.26Å; E668-K672 PolarHBondContact O-N 3.37Å; E668-K672 WeakPolarHBondContact OE1-CE 3.31Å; E668-K672 IonicContact OE1-NZ 3.35Å; E668-K672 PolarHBondContact OE1-NZ 3.37Å; G669-K672 PolarHBondContact O-N 3.46Å; V670-K672 VanDerWaalsContact C-N 3.28Å; V670-K672 PolarHBondContact O-N 3.33Å
673	D	89.8	Confident	93	Very high	20 Å²	20	45.6 Å²	45.6	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-90.2	-14.1	-179.9	-167.3	49.3	0	0	0	113.3	P487 G669 V670 L671 M675 R676 R677	P487-D673 WeakPolarHBondContact CD-OD1 2.89Å; P487-D673 HydrophobicContact CG-CB 4.5Å; G669-D673 PolarHBondContact O-N 3.01Å; V670-D673 PolarHBondContact O-N 3.05Å; V670-D673 VanDerWaalsContact O-N 3.1Å; L671-D673 VanDerWaalsContact C-N 3.34Å; D673-M675 VanDerWaalsContact C-N 3.31Å; D673-M675 PolarHBondContact O-N 3.21Å; D673-R676 WeakPolarHBondContact O-CB 3.44Å; D673-R676 PolarHBondContact O-N 2.85Å; D673-R676 VanDerWaalsContact O-N 3.07Å; D673-R676 IonicContact OD1-CZ 3.89Å; D673-R676 IonicContact OD1-NE 3.86Å; D673-R676 PolarHBondContact OD1-NE 2.88Å; D673-R676 IonicContact OD1-NH2 3.61Å; D673-R676 IonicContact OD2-CZ 3.97Å; D673-R676 IonicContact OD2-NE 2.68Å; D673-R676 IonicContact OD2-NH2 3.14Å; D673-R676 PolarHBondContact OD2-NH2 3.31Å; D673-R677 PolarHBondContact O-N 3.26Å; D673-R677 WeakPolarHBondContact OD2-CG 3.26Å; D673-R677 IonicContact OD2-CZ 2.81Å; D673-R677 IonicContact OD2-NE 3.82Å; D673-R677 PolarHBondContact OD2-NE 3.45Å; D673-R677 IonicContact OD2-NH2 3.73Å
674	I	93.4	Very high	92.8	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-39	-169.8	-156.8	60.5	0	0	0	113.6	I570 P572 D577 V670 L671 R676 R677 L678	I570-I674 HydrophobicContact CB-CG2 4.2Å; P572-I674 HydrophobicContact CG-CD1 3.85Å; P572-I674 HydrophobicContact CG-CG1 3.36Å; D577-I674 HydrophobicContact CB-CD1 3.56Å; D577-I674 WeakPolarHBondContact OD2-CD1 3.42Å; V670-I674 PolarHBondContact O-N 2.78Å; L671-I674 WeakPolarHBondContact O-CG2 3.43Å; I674-R676 VanDerWaalsContact C-N 3.31Å; I674-R676 PolarHBondContact O-N 3.45Å; I674-R677 PolarHBondContact O-N 3.28Å; I674-L678 PolarHBondContact O-N 3.05Å
675	M	93.1	Very high	92.8	Very high	20 Å²	20	48.1 Å²	48.1	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-44.4	178.6	-177.9	-175.4	-63.4	0	0	110.5	N505 K508 L509 I570 D673 L678 F679	N505-M675 HydrophobicContact CB-CE 4.06Å; K508-M675 HydrophobicContact CB-SD 4.08Å; K508-M675 HydrophobicContact CD-SD 3.98Å; L509-M675 HydrophobicContact CD1-CE 3.89Å; L509-M675 HydrophobicContact CD2-CE 3.98Å; L509-M675 HydrophobicContact CG-CE 3.78Å; I570-M675 HydrophobicContact CD1-CB 4.33Å; I570-M675 HydrophobicContact CD1-CG 4.22Å; D673-M675 VanDerWaalsContact C-N 3.31Å; D673-M675 PolarHBondContact O-N 3.21Å; M675-L678 PolarHBondContact O-N 3.41Å; M675-F679 HydrophobicContact CG-CD2 4.22Å; M675-F679 HydrophobicContact CG-CE1 4.02Å; M675-F679 HydrophobicContact CG-CE2 3.44Å; M675-F679 VanDerWaalsContact CG-CE2 3.44Å; M675-F679 HydrophobicContact CG-CZ 3.32Å; M675-F679 WeakPolarHBondContact O-CD1 3.46Å; M675-F679 WeakPolarHBondContact O-CD2 3.4Å; M675-F679 WeakPolarHBondContact O-CG 3.06Å; M675-F679 PolarHBondContact O-N 2.9Å; M675-F679 HydrophobicContact SD-CE2 3.9Å; M675-F679 HydrophobicContact SD-CZ 3.86Å
676	R	92.8	Very high	92.7	Very high	51 Å²	51	45.9 Å²	45.9	19%	0.192	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-43.2	177	-172.1	-152.6	60.1	75.8	4.1	111.4	L482 A483 A486 D673 I674 L678 F679 A680	L482-R676 WeakPolarHBondContact O-CG 3.45Å; A483-R676 WeakPolarHBondContact O-CD 3.32Å; A483-R676 WeakPolarHBondContact O-CG 3.24Å; A483-R676 PolarHBondContact O-NH1 3.26Å; A486-R676 VanDerWaalsContact CA-CD 3.42Å; D673-R676 WeakPolarHBondContact O-CB 3.44Å; D673-R676 PolarHBondContact O-N 2.85Å; D673-R676 VanDerWaalsContact O-N 3.07Å; D673-R676 IonicContact OD1-CZ 3.89Å; D673-R676 IonicContact OD1-NE 3.86Å; D673-R676 PolarHBondContact OD1-NE 2.88Å; D673-R676 IonicContact OD1-NH2 3.61Å; D673-R676 IonicContact OD2-CZ 3.97Å; D673-R676 IonicContact OD2-NE 2.68Å; D673-R676 IonicContact OD2-NH2 3.14Å; D673-R676 PolarHBondContact OD2-NH2 3.31Å; I674-R676 VanDerWaalsContact C-N 3.31Å; I674-R676 PolarHBondContact O-N 3.45Å; R676-L678 VanDerWaalsContact C-N 3.33Å; R676-L678 PolarHBondContact O-N 3.07Å; R676-F679 PolarHBondContact O-N 3.41Å; R676-A680 WeakPolarHBondContact O-CB 3.44Å; R676-A680 PolarHBondContact O-N 2.74Å
677	R	93.1	Very high	92.5	Very high	71 Å²	71	47 Å²	47	27%	0.268	24%	0.244	S	C	.	.	H	α-helix	trans	-58.9	-43.9	177	-69.4	179	-175.5	-165.3	-1	111.8	D577 E579 D673 I674 A680 D681	D577-R677 IonicContact OD1-NH1 3.29Å; D577-R677 WeakPolarHBondContact OD2-CD 3.2Å; D577-R677 IonicContact OD2-NH1 3.8Å; D577-R677 PolarHBondContact OD2-NH1 2.95Å; D577-R677 VanDerWaalsContact OD2-NH1 3.11Å; E579-R677 IonicContact OE2-CZ 3.93Å; E579-R677 VanDerWaalsContact OE2-CZ 3.27Å; E579-R677 IonicContact OE2-NH1 3.86Å; E579-R677 PolarHBondContact OE2-NH1 3.5Å; E579-R677 IonicContact OE2-NH2 2.74Å; E579-R677 PolarHBondContact OE2-NH2 2.9Å; D673-R677 PolarHBondContact O-N 3.26Å; D673-R677 WeakPolarHBondContact OD2-CG 3.26Å; D673-R677 IonicContact OD2-CZ 2.81Å; D673-R677 IonicContact OD2-NE 3.82Å; D673-R677 PolarHBondContact OD2-NE 3.45Å; D673-R677 IonicContact OD2-NH2 3.73Å; I674-R677 PolarHBondContact O-N 3.28Å; R677-A680 PolarHBondContact O-N 3.08Å; R677-D681 PolarHBondContact O-N 2.97Å
678	L	94.8	Very high	92.4	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-41.3	176.2	-75.4	169.8	0	0	0	112.1	F559 I570 V576 I674 M675 R676 A680 D681 F682	F559-L678 HydrophobicContact CD1-CD1 4.15Å; F559-L678 HydrophobicContact CE1-CD1 4.26Å; I570-L678 HydrophobicContact CB-CD1 4.46Å; I570-L678 HydrophobicContact CD1-CD1 3.66Å; I570-L678 HydrophobicContact CG2-CD1 3.67Å; V576-L678 HydrophobicContact CG1-CD2 3.88Å; I674-L678 PolarHBondContact O-N 3.05Å; M675-L678 PolarHBondContact O-N 3.41Å; R676-L678 VanDerWaalsContact C-N 3.33Å; R676-L678 PolarHBondContact O-N 3.07Å; L678-A680 VanDerWaalsContact C-N 3.34Å; L678-D681 PolarHBondContact O-N 3.46Å; L678-F682 WeakPolarHBondContact O-CB 3.33Å; L678-F682 PolarHBondContact O-N 2.87Å
679	F	95.5	Very high	92.6	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-39.1	174.4	-60	-18	0	0	0	111.9	M479 L482 A483 K508 F512 M675 R676 F682 C683	M479-F679 HydrophobicContact SD-CD1 3.85Å; M479-F679 HydrophobicContact SD-CD2 4.16Å; M479-F679 HydrophobicContact SD-CE1 3.88Å; M479-F679 HydrophobicContact SD-CE2 4.15Å; M479-F679 HydrophobicContact SD-CG 4.01Å; M479-F679 HydrophobicContact SD-CZ 4.01Å; L482-F679 HydrophobicContact CB-CD2 3.72Å; L482-F679 HydrophobicContact CB-CE2 4.2Å; L482-F679 HydrophobicContact CD1-CD2 4.08Å; L482-F679 HydrophobicContact CD1-CE2 3.78Å; A483-F679 HydrophobicContact CB-CB 4.14Å; K508-F679 HydrophobicContact CB-CE2 4.44Å; K508-F679 HydrophobicContact CB-CZ 4.39Å; F512-F679 HydrophobicContact CB-CE1 3.68Å; F512-F679 HydrophobicContact CB-CZ 4.21Å; F512-F679 HydrophobicContact CD1-CD1 4.3Å; F512-F679 AromaticContact CD1-CE1 3.75Å; F512-F679 HydrophobicContact CD1-CE1 3.75Å; F512-F679 AromaticContact CD2-CD1 3.73Å; F512-F679 HydrophobicContact CD2-CD1 3.73Å; F512-F679 AromaticContact CD2-CE1 3.73Å; F512-F679 HydrophobicContact CD2-CE1 3.73Å; F512-F679 HydrophobicContact CE1-CD1 4.44Å; F512-F679 HydrophobicContact CE1-CE1 4.27Å; F512-F679 AromaticContact CE2-CD1 3.91Å; F512-F679 HydrophobicContact CE2-CD1 3.91Å; F512-F679 HydrophobicContact CE2-CE1 4.27Å; F512-F679 AromaticContact CG-CD1 3.94Å; F512-F679 HydrophobicContact CG-CD1 3.94Å; F512-F679 AromaticContact CG-CE1 3.44Å; F512-F679 HydrophobicContact CG-CE1 3.44Å; F512-F679 VanDerWaalsContact CG-CE1 3.44Å; F512-F679 HydrophobicContact CG-CZ 4.42Å; F512-F679 HydrophobicContact CZ-CD1 4.26Å; M675-F679 HydrophobicContact CG-CD2 4.22Å; M675-F679 HydrophobicContact CG-CE1 4.02Å; M675-F679 HydrophobicContact CG-CE2 3.44Å; M675-F679 VanDerWaalsContact CG-CE2 3.44Å; M675-F679 HydrophobicContact CG-CZ 3.32Å; M675-F679 WeakPolarHBondContact O-CD1 3.46Å; M675-F679 WeakPolarHBondContact O-CD2 3.4Å; M675-F679 WeakPolarHBondContact O-CG 3.06Å; M675-F679 PolarHBondContact O-N 2.9Å; M675-F679 HydrophobicContact SD-CE2 3.9Å; M675-F679 HydrophobicContact SD-CZ 3.86Å; R676-F679 PolarHBondContact O-N 3.41Å; F679-F682 PolarHBondContact O-N 3.36Å; F679-C683 WeakPolarHBondContact O-CB 3.49Å; F679-C683 PolarHBondContact O-N 3.06Å; F679-C683 PolarHBondContact O-SG 2.93Å
680	A	94	Very high	92.7	Very high	33 Å²	33	41.9 Å²	41.9	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-64.6	-43.1	175.8	0	0	0	0	0	111.8	A483 R676 R677 L678 C683 S684	A483-A680 HydrophobicContact CB-CB 3.88Å; R676-A680 WeakPolarHBondContact O-CB 3.44Å; R676-A680 PolarHBondContact O-N 2.74Å; R677-A680 PolarHBondContact O-N 3.08Å; L678-A680 VanDerWaalsContact C-N 3.34Å; A680-C683 PolarHBondContact O-N 3.36Å; A680-S684 PolarHBondContact O-N 2.72Å
681	D	94.9	Very high	92.7	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-47.7	173.9	-172.7	29.6	0	0	0	110.3	F554 F555 R677 L678 C683 S684 R685	F554-D681 WeakPolarHBondContact CE1-OD2 3.46Å; F555-D681 HydrophobicContact CZ-CB 4.45Å; R677-D681 PolarHBondContact O-N 2.97Å; L678-D681 PolarHBondContact O-N 3.46Å; D681-C683 VanDerWaalsContact C-N 3.34Å; D681-C683 PolarHBondContact O-N 3.05Å; D681-S684 WeakPolarHBondContact O-CB 3.42Å; D681-S684 PolarHBondContact O-N 2.93Å; D681-S684 VanDerWaalsContact O-N 3.16Å; D681-S684 PolarHBondContact O-OG 3.28Å; D681-R685 VanDerWaalsContact C-NH1 3.26Å; D681-R685 PolarHBondContact O-NH1 3.4Å; D681-R685 IonicContact OD1-CZ 3.66Å; D681-R685 IonicContact OD1-NH1 3.75Å; D681-R685 PolarHBondContact OD1-NH1 3.17Å; D681-R685 IonicContact OD1-NH2 3.75Å; D681-R685 PolarHBondContact OD1-NH2 3.03Å; D681-R685 IonicContact OD2-CZ 3.58Å; D681-R685 IonicContact OD2-NH1 2.64Å; D681-R685 PolarHBondContact OD2-NH1 3.05Å; D681-R685 IonicContact OD2-NH2 3.4Å; D681-R685 PolarHBondContact OD2-NH2 2.8Å
682	F	95.8	Very high	92.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-46.5	175.6	-171.5	-87.1	0	0	0	112.5	L476 F512 L515 I516 F519 F555 L678 F679 S684 R685 W689	L476-F682 HydrophobicContact CD2-CD1 4.5Å; L476-F682 HydrophobicContact CD2-CE1 3.73Å; F512-F682 HydrophobicContact CE2-CB 3.9Å; F512-F682 HydrophobicContact CE2-CD1 4.31Å; F512-F682 AromaticContact CE2-CD2 3.75Å; F512-F682 HydrophobicContact CE2-CD2 3.75Å; F512-F682 HydrophobicContact CE2-CE2 4.4Å; F512-F682 AromaticContact CE2-CG 3.71Å; F512-F682 HydrophobicContact CE2-CG 3.71Å; F512-F682 HydrophobicContact CZ-CB 4.28Å; F512-F682 HydrophobicContact CZ-CD2 4.07Å; F512-F682 HydrophobicContact CZ-CG 4.31Å; L515-F682 HydrophobicContact CD2-CD1 4.21Å; L515-F682 HydrophobicContact CD2-CE1 3.52Å; L515-F682 HydrophobicContact CD2-CZ 3.96Å; L515-F682 HydrophobicContact CG-CE1 4.12Å; L515-F682 HydrophobicContact CG-CZ 4.08Å; I516-F682 HydrophobicContact CG1-CE2 4.33Å; F519-F682 AromaticContact CD2-CZ 3.85Å; F519-F682 HydrophobicContact CD2-CZ 3.85Å; F519-F682 HydrophobicContact CE2-CE1 4.21Å; F519-F682 AromaticContact CE2-CZ 3.8Å; F519-F682 HydrophobicContact CE2-CZ 3.8Å; F555-F682 HydrophobicContact CD1-CD2 4.25Å; F555-F682 AromaticContact CD2-CD2 3.61Å; F555-F682 HydrophobicContact CD2-CD2 3.61Å; F555-F682 HydrophobicContact CD2-CE2 4.09Å; F555-F682 HydrophobicContact CE1-CB 4.01Å; F555-F682 HydrophobicContact CE1-CD2 4.2Å; F555-F682 HydrophobicContact CE2-CB 4.28Å; F555-F682 AromaticContact CE2-CD2 3.57Å; F555-F682 HydrophobicContact CE2-CD2 3.57Å; F555-F682 HydrophobicContact CE2-CE2 4.34Å; F555-F682 HydrophobicContact CE2-CG 4.33Å; F555-F682 AromaticContact CG-CD2 3.98Å; F555-F682 HydrophobicContact CG-CD2 3.98Å; F555-F682 VanDerWaalsContact CZ-CA 3.45Å; F555-F682 HydrophobicContact CZ-CB 3.77Å; F555-F682 AromaticContact CZ-CD2 3.89Å; F555-F682 HydrophobicContact CZ-CD2 3.89Å; F555-F682 HydrophobicContact CZ-CG 4.31Å; L678-F682 WeakPolarHBondContact O-CB 3.33Å; L678-F682 PolarHBondContact O-N 2.87Å; F679-F682 PolarHBondContact O-N 3.36Å; F682-S684 VanDerWaalsContact C-N 3.3Å; F682-S684 PolarHBondContact O-N 3.15Å; F682-R685 PolarHBondContact O-N 2.97Å; F682-W689 AromaticContact CD1-NE1 3.74Å; F682-W689 HydrophobicContact CD2-CZ2 4.32Å; F682-W689 AromaticContact CE1-CD1 3.64Å; F682-W689 HydrophobicContact CE1-CD2 4.33Å; F682-W689 AromaticContact CE1-CE2 3.94Å; F682-W689 HydrophobicContact CE1-CG 4.22Å; F682-W689 AromaticContact CE1-NE1 3.45Å; F682-W689 AromaticContact CE2-CE2 3.93Å; F682-W689 HydrophobicContact CE2-CH2 4.39Å; F682-W689 AromaticContact CE2-CZ2 3.78Å; F682-W689 HydrophobicContact CE2-CZ2 3.78Å; F682-W689 HydrophobicContact CZ-CD2 4.04Å; F682-W689 AromaticContact CZ-CE2 3.62Å; F682-W689 HydrophobicContact CZ-CG 4.38Å; F682-W689 AromaticContact CZ-CZ2 3.92Å; F682-W689 HydrophobicContact CZ-CZ2 3.92Å; F682-W689 AromaticContact CZ-NE1 3.64Å; F682-W689 PolarHBondContact O-NE1 3.38Å
683	C	93.9	Very high	93.1	Very high	26 Å²	26	38.9 Å²	38.9	18%	0.176	19%	0.191	C	C	.	.	H	α-helix	trans	-70.2	-23.1	-179.1	-66.1	0	0	0	0	113.5	H480 F679 A680 D681 R685 G686	H480-C683 PolarHBondContact N-SG 3.31Å; F679-C683 WeakPolarHBondContact O-CB 3.49Å; F679-C683 PolarHBondContact O-N 3.06Å; F679-C683 PolarHBondContact O-SG 2.93Å; A680-C683 PolarHBondContact O-N 3.36Å; D681-C683 VanDerWaalsContact C-N 3.34Å; D681-C683 PolarHBondContact O-N 3.05Å; C683-R685 PolarHBondContact O-N 3.24Å; C683-R685 VanDerWaalsContact O-N 3.13Å; C683-G686 WeakPolarHBondContact O-CA 3.31Å; C683-G686 PolarHBondContact O-N 2.91Å
684	S	93.2	Very high	93.2	Very high	88 Å²	88	42.9 Å²	42.9	62%	0.615	21%	0.209	S	C	*	.	H	α-helix	trans	-59.8	-23.3	174.5	77.3	0	0	0	0	112.7	A680 D681 F682 G686	A680-S684 PolarHBondContact O-N 2.72Å; D681-S684 WeakPolarHBondContact O-CB 3.42Å; D681-S684 PolarHBondContact O-N 2.93Å; D681-S684 VanDerWaalsContact O-N 3.16Å; D681-S684 PolarHBondContact O-OG 3.28Å; F682-S684 VanDerWaalsContact C-N 3.3Å; F682-S684 PolarHBondContact O-N 3.15Å; S684-G686 VanDerWaalsContact C-N 3.33Å
685	R	93.9	Very high	93.1	Very high	48 Å²	48	43 Å²	43	18%	0.181	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	14.8	175.7	-57.6	165.4	-178.2	84.1	-9.8	112.8	D551 F555 D681 F682 C683 E687 K688 W689	D551-R685 VanDerWaalsContact CG-CD 3.47Å; D551-R685 VanDerWaalsContact OD1-CD 3.3Å; D551-R685 WeakPolarHBondContact OD1-CD 3.09Å; D551-R685 IonicContact OD1-CZ 2.66Å; D551-R685 IonicContact OD1-NE 3.89Å; D551-R685 PolarHBondContact OD1-NE 3.4Å; F555-R685 VanDerWaalsContact CZ-NH1 3.33Å; D681-R685 VanDerWaalsContact C-NH1 3.26Å; D681-R685 PolarHBondContact O-NH1 3.4Å; D681-R685 IonicContact OD1-CZ 3.66Å; D681-R685 IonicContact OD1-NH1 3.75Å; D681-R685 PolarHBondContact OD1-NH1 3.17Å; D681-R685 IonicContact OD1-NH2 3.75Å; D681-R685 PolarHBondContact OD1-NH2 3.03Å; D681-R685 IonicContact OD2-CZ 3.58Å; D681-R685 IonicContact OD2-NH1 2.64Å; D681-R685 PolarHBondContact OD2-NH1 3.05Å; D681-R685 IonicContact OD2-NH2 3.4Å; D681-R685 PolarHBondContact OD2-NH2 2.8Å; F682-R685 PolarHBondContact O-N 2.97Å; C683-R685 PolarHBondContact O-N 3.24Å; C683-R685 VanDerWaalsContact O-N 3.13Å; R685-E687 VanDerWaalsContact C-N 3.28Å; R685-E687 PolarHBondContact O-N 3.36Å; R685-E687 VanDerWaalsContact O-N 3.12Å; R685-K688 PolarHBondContact O-N 2.95Å; R685-K688 VanDerWaalsContact O-N 3.08Å; R685-W689 HydrophobicContact CB-CZ2 4.17Å; R685-W689 PolarHBondContact O-N 3.48Å
686	G	90.9	Very high	93.1	Very high	13 Å²	13	42.2 Å²	42.2	13%	0.134	21%	0.206	C	C	.	.	H	α-helix	trans	-52.1	-35.5	-170.8	0	0	0	0	0	115.8	C683 S684 K688 W689 Y690	C683-G686 WeakPolarHBondContact O-CA 3.31Å; C683-G686 PolarHBondContact O-N 2.91Å; S684-G686 VanDerWaalsContact C-N 3.33Å; G686-K688 PolarHBondContact O-N 3.03Å; G686-W689 PolarHBondContact O-N 3.13Å; G686-Y690 WeakPolarHBondContact O-CD2 3.35Å; G686-Y690 PolarHBondContact O-N 3.22Å
687	E	89.6	Confident	93.2	Very high	131 Å²	131	40.4 Å²	40.4	61%	0.612	20%	0.201	S	C	*	.	H	α-helix	trans	-60.4	-44.1	178.7	-171.5	-178.3	178.3	0	0	112.1	R685 R691	R685-E687 VanDerWaalsContact C-N 3.28Å; R685-E687 PolarHBondContact O-N 3.36Å; R685-E687 VanDerWaalsContact O-N 3.12Å; E687-R691 WeakPolarHBondContact O-CG 3.49Å; E687-R691 PolarHBondContact O-N 3.43Å; E687-R691 VanDerWaalsContact O-N 3.17Å; E687-R691 IonicContact OE1-CZ 2.75Å; E687-R691 IonicContact OE1-NE 3.21Å; E687-R691 IonicContact OE1-NH2 2.82Å; E687-R691 PolarHBondContact OE1-NH2 2.94Å
688	K	92.5	Very high	93.2	Very high	75 Å²	75	39.1 Å²	39.1	33%	0.326	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-46	176.1	-62.4	-173.2	-177.2	-175.8	0	110.6	P546 D547 I548 D551 R685 G686 Y690 R691 I692	P546-K688 HydrophobicContact CB-CB 3.91Å; P546-K688 HydrophobicContact CB-CG 4.14Å; D547-K688 PolarHBondContact O-NZ 3.23Å; I548-K688 HydrophobicContact CG2-CB 4.18Å; I548-K688 HydrophobicContact CG2-CD 4.16Å; D551-K688 IonicContact OD2-NZ 3.95Å; D551-K688 PolarHBondContact OD2-NZ 2.94Å; R685-K688 PolarHBondContact O-N 2.95Å; R685-K688 VanDerWaalsContact O-N 3.08Å; G686-K688 PolarHBondContact O-N 3.03Å; K688-Y690 PolarHBondContact O-N 3.05Å; K688-R691 PolarHBondContact O-N 3.16Å; K688-I692 WeakPolarHBondContact O-CG1 3.42Å; K688-I692 PolarHBondContact O-N 3.13Å
689	W	94.5	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-47.5	-178.7	-56	140.5	0	0	0	112.3	L476 F519 I548 D551 L552 F682 R685 G686 R691 I692 V693	L476-W689 HydrophobicContact CD1-CB 3.83Å; L476-W689 HydrophobicContact CD2-CB 3.7Å; L476-W689 HydrophobicContact CD2-CG 3.98Å; L476-W689 HydrophobicContact CG-CB 4.4Å; F519-W689 HydrophobicContact CB-CZ3 4.31Å; F519-W689 AromaticContact CD1-CE3 3.82Å; F519-W689 HydrophobicContact CD1-CE3 3.82Å; F519-W689 HydrophobicContact CD1-CZ3 4.34Å; F519-W689 HydrophobicContact CD2-CD2 4.43Å; F519-W689 AromaticContact CD2-CE3 3.97Å; F519-W689 HydrophobicContact CD2-CE3 3.97Å; F519-W689 HydrophobicContact CD2-CZ3 4.34Å; F519-W689 HydrophobicContact CE1-CB 4.08Å; F519-W689 AromaticContact CE1-CE3 3.97Å; F519-W689 HydrophobicContact CE1-CE3 3.97Å; F519-W689 HydrophobicContact CE2-CB 4.24Å; F519-W689 HydrophobicContact CE2-CD2 4.19Å; F519-W689 HydrophobicContact CE2-CE3 4.08Å; F519-W689 HydrophobicContact CE2-CG 4.25Å; F519-W689 AromaticContact CG-CE3 3.86Å; F519-W689 HydrophobicContact CG-CE3 3.86Å; F519-W689 HydrophobicContact CG-CZ3 4.09Å; F519-W689 HydrophobicContact CZ-CB 3.65Å; F519-W689 HydrophobicContact CZ-CD2 4.3Å; F519-W689 HydrophobicContact CZ-CE3 4.12Å; F519-W689 HydrophobicContact CZ-CG 4.13Å; I548-W689 HydrophobicContact CB-CH2 4.03Å; I548-W689 HydrophobicContact CB-CZ3 3.72Å; I548-W689 HydrophobicContact CD1-CZ3 3.87Å; I548-W689 HydrophobicContact CG1-CZ3 4.43Å; I548-W689 HydrophobicContact CG2-CE3 4.09Å; I548-W689 HydrophobicContact CG2-CH2 4.01Å; I548-W689 HydrophobicContact CG2-CZ3 3.49Å; I548-W689 VanDerWaalsContact CG2-CZ3 3.49Å; D551-W689 HydrophobicContact CB-CH2 4Å; D551-W689 HydrophobicContact CB-CZ2 4.25Å; L552-W689 HydrophobicContact CD2-CH2 4.44Å; F682-W689 AromaticContact CD1-NE1 3.74Å; F682-W689 HydrophobicContact CD2-CZ2 4.32Å; F682-W689 AromaticContact CE1-CD1 3.64Å; F682-W689 HydrophobicContact CE1-CD2 4.33Å; F682-W689 AromaticContact CE1-CE2 3.94Å; F682-W689 HydrophobicContact CE1-CG 4.22Å; F682-W689 AromaticContact CE1-NE1 3.45Å; F682-W689 AromaticContact CE2-CE2 3.93Å; F682-W689 HydrophobicContact CE2-CH2 4.39Å; F682-W689 AromaticContact CE2-CZ2 3.78Å; F682-W689 HydrophobicContact CE2-CZ2 3.78Å; F682-W689 HydrophobicContact CZ-CD2 4.04Å; F682-W689 AromaticContact CZ-CE2 3.62Å; F682-W689 HydrophobicContact CZ-CG 4.38Å; F682-W689 AromaticContact CZ-CZ2 3.92Å; F682-W689 HydrophobicContact CZ-CZ2 3.92Å; F682-W689 AromaticContact CZ-NE1 3.64Å; F682-W689 PolarHBondContact O-NE1 3.38Å; R685-W689 HydrophobicContact CB-CZ2 4.17Å; R685-W689 PolarHBondContact O-N 3.48Å; G686-W689 PolarHBondContact O-N 3.13Å; W689-R691 PolarHBondContact O-N 3.29Å; W689-I692 HydrophobicContact CE3-CD1 4.19Å; W689-I692 HydrophobicContact CZ3-CD1 4.47Å; W689-I692 WeakPolarHBondContact O-CB 3.43Å; W689-I692 PolarHBondContact O-N 3.21Å; W689-V693 WeakPolarHBondContact O-CG2 3.31Å; W689-V693 PolarHBondContact O-N 3.46Å
690	Y	92.2	Very high	93.1	Very high	41 Å²	41	38.7 Å²	38.7	16%	0.161	20%	0.195	C	C	.	.	H	α-helix	trans	-68.8	-32.7	-179.2	-76.2	-59.8	0	0	0	113.6	K361 E473 L476 G686 K688 I692 V693 E694	K361-Y690 VanDerWaalsContact CE-CD2 3.48Å; K361-Y690 VanDerWaalsContact NZ-CZ 3.3Å; E473-Y690 HydrophobicContact CG-CE1 4.35Å; L476-Y690 HydrophobicContact CB-CE1 4.04Å; L476-Y690 HydrophobicContact CD1-CD1 3.55Å; L476-Y690 HydrophobicContact CD1-CD2 4.47Å; L476-Y690 HydrophobicContact CD1-CE1 3.44Å; L476-Y690 VanDerWaalsContact CD1-CE1 3.44Å; L476-Y690 HydrophobicContact CD1-CE2 4.37Å; L476-Y690 HydrophobicContact CD1-CG 4.1Å; L476-Y690 HydrophobicContact CG-CE1 4.42Å; G686-Y690 WeakPolarHBondContact O-CD2 3.35Å; G686-Y690 PolarHBondContact O-N 3.22Å; K688-Y690 PolarHBondContact O-N 3.05Å; Y690-I692 VanDerWaalsContact C-N 3.29Å; Y690-I692 PolarHBondContact O-N 3.2Å; Y690-V693 PolarHBondContact O-N 3.45Å; Y690-E694 PolarHBondContact O-N 3.21Å
691	R	91.5	Very high	93.2	Very high	129 Å²	129	37.1 Å²	37.1	49%	0.487	18%	0.182	S	C	.	.	H	α-helix	trans	-60.5	-41.2	171.3	-73.5	177.5	-174.1	-162.1	2.9	111.3	P546 E687 K688 W689 E694 S695	P546-R691 HydrophobicContact CG-CB 3.77Å; E687-R691 WeakPolarHBondContact O-CG 3.49Å; E687-R691 PolarHBondContact O-N 3.43Å; E687-R691 VanDerWaalsContact O-N 3.17Å; E687-R691 IonicContact OE1-CZ 2.75Å; E687-R691 IonicContact OE1-NE 3.21Å; E687-R691 IonicContact OE1-NH2 2.82Å; E687-R691 PolarHBondContact OE1-NH2 2.94Å; K688-R691 PolarHBondContact O-N 3.16Å; W689-R691 PolarHBondContact O-N 3.29Å; R691-E694 WeakPolarHBondContact O-CB 2.89Å; R691-E694 PolarHBondContact O-N 2.92Å; R691-S695 PolarHBondContact O-N 3.18Å; R691-S695 PolarHBondContact O-OG 2.87Å
692	I	92.7	Very high	93.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-42.3	176.3	-65.2	164.6	0	0	0	111.4	F519 A522 F545 P546 I548 K688 W689 Y690 E694 S695 I696	F519-I692 HydrophobicContact CD1-CB 4.33Å; F519-I692 HydrophobicContact CD1-CD1 4.32Å; F519-I692 HydrophobicContact CD1-CG2 3.94Å; F519-I692 HydrophobicContact CE1-CB 4.19Å; F519-I692 HydrophobicContact CE1-CG2 4.12Å; A522-I692 HydrophobicContact CB-CG2 3.76Å; F545-I692 HydrophobicContact CD2-CG1 4.3Å; F545-I692 HydrophobicContact CE1-CD1 4.06Å; F545-I692 HydrophobicContact CE1-CG1 4.21Å; F545-I692 HydrophobicContact CE2-CB 4.3Å; F545-I692 HydrophobicContact CE2-CD1 4.39Å; F545-I692 HydrophobicContact CE2-CG1 3.77Å; F545-I692 HydrophobicContact CE2-CG2 3.83Å; F545-I692 HydrophobicContact CZ-CB 4.45Å; F545-I692 HydrophobicContact CZ-CD1 3.81Å; F545-I692 HydrophobicContact CZ-CG1 3.71Å; F545-I692 HydrophobicContact CZ-CG2 3.93Å; P546-I692 HydrophobicContact CG-CG1 4.03Å; I548-I692 HydrophobicContact CB-CD1 4.48Å; I548-I692 HydrophobicContact CD1-CD1 3.57Å; I548-I692 HydrophobicContact CG1-CD1 4.16Å; I548-I692 HydrophobicContact CG2-CD1 3.64Å; K688-I692 WeakPolarHBondContact O-CG1 3.42Å; K688-I692 PolarHBondContact O-N 3.13Å; W689-I692 HydrophobicContact CE3-CD1 4.19Å; W689-I692 HydrophobicContact CZ3-CD1 4.47Å; W689-I692 WeakPolarHBondContact O-CB 3.43Å; W689-I692 PolarHBondContact O-N 3.21Å; Y690-I692 VanDerWaalsContact C-N 3.29Å; Y690-I692 PolarHBondContact O-N 3.2Å; I692-E694 VanDerWaalsContact C-N 3.28Å; I692-E694 PolarHBondContact O-N 2.68Å; I692-S695 WeakPolarHBondContact O-CB 3.39Å; I692-S695 PolarHBondContact O-N 3.23Å; I692-I696 HydrophobicContact CG2-CG1 4.24Å; I692-I696 WeakPolarHBondContact O-CG1 3.31Å; I692-I696 PolarHBondContact O-N 3.46Å
693	V	93.8	Very high	93	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-44.8	175.1	172.7	0	0	0	0	110.7	L423 L472 E473 L476 F519 W689 Y690 I696 S697	L423-V693 HydrophobicContact CD1-CG1 4.32Å; L423-V693 HydrophobicContact CD2-CG1 3.69Å; L472-V693 HydrophobicContact CB-CG2 3.71Å; L472-V693 HydrophobicContact CD1-CG2 4.39Å; E473-V693 HydrophobicContact CB-CG1 3.93Å; L476-V693 HydrophobicContact CD1-CG2 3.95Å; F519-V693 HydrophobicContact CE1-CG2 4.18Å; F519-V693 HydrophobicContact CZ-CG2 4.27Å; W689-V693 WeakPolarHBondContact O-CG2 3.31Å; W689-V693 PolarHBondContact O-N 3.46Å; Y690-V693 PolarHBondContact O-N 3.45Å; V693-I696 PolarHBondContact O-N 2.71Å; V693-S697 WeakPolarHBondContact O-CB 3.44Å; V693-S697 PolarHBondContact O-N 2.9Å; V693-S697 PolarHBondContact O-OG 3.5Å
694	E	91.7	Very high	93.1	Very high	103 Å²	103	33.5 Å²	33.5	48%	0.481	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-45.4	175.7	-170	-171	169.4	0	0	111.7	Y690 R691 I692 S697 K698	Y690-E694 PolarHBondContact O-N 3.21Å; R691-E694 WeakPolarHBondContact O-CB 2.89Å; R691-E694 PolarHBondContact O-N 2.92Å; I692-E694 VanDerWaalsContact C-N 3.28Å; I692-E694 PolarHBondContact O-N 2.68Å; E694-S697 PolarHBondContact O-N 2.52Å; E694-K698 HydrophobicContact CG-CD 4.49Å; E694-K698 WeakPolarHBondContact O-CG 3.21Å; E694-K698 PolarHBondContact O-N 2.86Å; E694-K698 WeakPolarHBondContact OE1-CE 3.2Å; E694-K698 IonicContact OE1-NZ 2.92Å; E694-K698 PolarHBondContact OE1-NZ 3.34Å
695	S	91.7	Very high	93.2	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	13%	0.132	C	C	.	.	H	α-helix	trans	-57.6	-51.1	176.3	-59.5	0	0	0	0	111.9	L540 R691 I692 S697 K698 L699	L540-S695 WeakPolarHBondContact CD2-O 3.45Å; L540-S695 VanDerWaalsContact O-CA 3.31Å; L540-S695 WeakPolarHBondContact O-CA 3.46Å; L540-S695 VanDerWaalsContact O-CB 3.26Å; L540-S695 WeakPolarHBondContact O-CB 3.41Å; L540-S695 PolarHBondContact O-OG 3.19Å; R691-S695 PolarHBondContact O-N 3.18Å; R691-S695 PolarHBondContact O-OG 2.87Å; I692-S695 WeakPolarHBondContact O-CB 3.39Å; I692-S695 PolarHBondContact O-N 3.23Å; S695-S697 VanDerWaalsContact C-N 3.32Å; S695-S697 PolarHBondContact O-N 3.41Å; S695-K698 PolarHBondContact O-N 3.46Å; S695-L699 PolarHBondContact O-N 2.95Å
696	I	92.9	Very high	93.2	Very high	5 Å²	5	27 Å²	27	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-40.1	179.3	-69.1	-57	0	0	0	111.3	T420 L423 L466 I469 A522 I525 I692 V693 K698 L699 D700	T420-I696 HydrophobicContact CG2-CG2 3.94Å; L423-I696 HydrophobicContact CD1-CG2 4.45Å; L466-I696 HydrophobicContact CD2-CG2 3.93Å; I469-I696 HydrophobicContact CD1-CD1 4.35Å; I469-I696 HydrophobicContact CD1-CG1 4.44Å; I469-I696 HydrophobicContact CD1-CG2 3.96Å; A522-I696 HydrophobicContact CB-CD1 3.81Å; A522-I696 HydrophobicContact CB-CG1 3.74Å; I525-I696 HydrophobicContact CD1-CD1 4.43Å; I692-I696 HydrophobicContact CG2-CG1 4.24Å; I692-I696 WeakPolarHBondContact O-CG1 3.31Å; I692-I696 PolarHBondContact O-N 3.46Å; V693-I696 PolarHBondContact O-N 2.71Å; I696-K698 VanDerWaalsContact C-N 3.35Å; I696-K698 PolarHBondContact O-N 2.84Å; I696-L699 PolarHBondContact O-N 3.47Å; I696-D700 WeakPolarHBondContact O-CB 3.36Å; I696-D700 PolarHBondContact O-N 2.94Å
697	S	94	Very high	93.4	Very high	12 Å²	12	27.8 Å²	27.8	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-45.6	176.5	-53.8	0	0	0	0	111.4	L427 V693 E694 S695 D700 V701	L427-S697 VanDerWaalsContact CD2-C 3.49Å; V693-S697 WeakPolarHBondContact O-CB 3.44Å; V693-S697 PolarHBondContact O-N 2.9Å; V693-S697 PolarHBondContact O-OG 3.5Å; E694-S697 PolarHBondContact O-N 2.52Å; S695-S697 VanDerWaalsContact C-N 3.32Å; S695-S697 PolarHBondContact O-N 3.41Å; S697-D700 PolarHBondContact O-N 3.15Å; S697-V701 WeakPolarHBondContact O-CG2 3.36Å; S697-V701 PolarHBondContact O-N 3.01Å
698	K	93.3	Very high	93.6	Very high	44 Å²	44	22.4 Å²	22.4	19%	0.191	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-43.5	177.4	-71.5	173.4	-175.2	163.5	0	112	L427 W431 L539 L540 E694 S695 I696 D700 V701 L702	L427-K698 HydrophobicContact CD2-CB 4.27Å; L427-K698 HydrophobicContact CD2-CG 3.74Å; W431-K698 HydrophobicContact CZ2-CG 4.27Å; L539-K698 WeakPolarHBondContact O-CD 3.38Å; L540-K698 HydrophobicContact CD2-CB 3.96Å; E694-K698 HydrophobicContact CG-CD 4.49Å; E694-K698 WeakPolarHBondContact O-CG 3.21Å; E694-K698 PolarHBondContact O-N 2.86Å; E694-K698 WeakPolarHBondContact OE1-CE 3.2Å; E694-K698 IonicContact OE1-NZ 2.92Å; E694-K698 PolarHBondContact OE1-NZ 3.34Å; S695-K698 PolarHBondContact O-N 3.46Å; I696-K698 VanDerWaalsContact C-N 3.35Å; I696-K698 PolarHBondContact O-N 2.84Å; K698-D700 VanDerWaalsContact C-N 3.32Å; K698-D700 PolarHBondContact O-N 3.35Å; K698-V701 PolarHBondContact O-N 3.06Å; K698-L702 VanDerWaalsContact O-CG 3.29Å; K698-L702 WeakPolarHBondContact O-CG 3.47Å; K698-L702 PolarHBondContact O-N 3.36Å
699	L	92.4	Very high	93.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-58.9	-46.7	177.7	177.6	61.6	0	0	0	110.8	I525 I529 L536 L540 S695 I696 V701 L702 Q703	I525-L699 HydrophobicContact CG2-CD2 3.47Å; I525-L699 VanDerWaalsContact CG2-CD2 3.47Å; I529-L699 HydrophobicContact CD1-CD1 4Å; I529-L699 HydrophobicContact CD1-CD2 3.6Å; I529-L699 HydrophobicContact CD1-CG 4.46Å; L536-L699 HydrophobicContact CD1-CD1 4.28Å; L536-L699 HydrophobicContact CD2-CD1 4.04Å; L540-L699 HydrophobicContact CD1-CB 4.22Å; L540-L699 HydrophobicContact CD1-CD1 4.34Å; L540-L699 HydrophobicContact CD2-CB 3.69Å; S695-L699 PolarHBondContact O-N 2.95Å; I696-L699 PolarHBondContact O-N 3.47Å; L699-V701 PolarHBondContact O-N 2.91Å; L699-L702 PolarHBondContact O-N 3.22Å; L699-Q703 HydrophobicContact CD1-CG 4.16Å; L699-Q703 HydrophobicContact CG-CG 4.46Å; L699-Q703 WeakPolarHBondContact O-CB 3.41Å; L699-Q703 WeakPolarHBondContact O-CG 3.36Å; L699-Q703 PolarHBondContact O-N 2.87Å
700	D	94.9	Very high	93.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-44.4	-178.7	-165.2	24.4	0	0	0	111.8	C418 L419 T420 G424 L466 I696 S697 K698 Q703 S704	C418-D700 WeakPolarHBondContact CB-OD2 3.35Å; L419-D700 PolarHBondContact N-OD1 3.08Å; L419-D700 PolarHBondContact N-OD2 3.24Å; T420-D700 VanDerWaalsContact CB-OD2 3.25Å; T420-D700 WeakPolarHBondContact CB-OD2 3.47Å; T420-D700 HydrophobicContact CG2-CB 4.16Å; T420-D700 WeakPolarHBondContact CG2-OD2 3.36Å; T420-D700 PolarHBondContact N-OD2 2.84Å; T420-D700 PolarHBondContact OG1-OD2 2.86Å; G424-D700 WeakPolarHBondContact CA-OD2 3.5Å; L466-D700 HydrophobicContact CD1-CB 4.29Å; I696-D700 WeakPolarHBondContact O-CB 3.36Å; I696-D700 PolarHBondContact O-N 2.94Å; S697-D700 PolarHBondContact O-N 3.15Å; K698-D700 VanDerWaalsContact C-N 3.32Å; K698-D700 PolarHBondContact O-N 3.35Å; D700-Q703 PolarHBondContact O-N 2.68Å; D700-S704 WeakPolarHBondContact O-CB 3.39Å; D700-S704 PolarHBondContact O-N 2.73Å
701	V	96	Very high	93.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-42.7	175.8	179.1	0	0	0	0	112.2	G424 L427 L428 W431 S697 K698 L699 Q703 S704 F705	G424-V701 WeakPolarHBondContact O-CG2 3.43Å; L427-V701 HydrophobicContact CB-CG2 3.95Å; L427-V701 HydrophobicContact CD2-CG2 4.05Å; L427-V701 HydrophobicContact CG-CG2 4.09Å; L428-V701 HydrophobicContact CB-CG1 4.41Å; L428-V701 HydrophobicContact CB-CG2 4.03Å; L428-V701 HydrophobicContact CD1-CG1 4.12Å; W431-V701 HydrophobicContact CD2-CG1 4.2Å; W431-V701 HydrophobicContact CE3-CB 4.46Å; W431-V701 HydrophobicContact CE3-CG1 3.49Å; W431-V701 VanDerWaalsContact CE3-CG1 3.49Å; W431-V701 HydrophobicContact CH2-CG1 4.37Å; W431-V701 HydrophobicContact CZ3-CB 4.27Å; W431-V701 HydrophobicContact CZ3-CG1 3.6Å; S697-V701 WeakPolarHBondContact O-CG2 3.36Å; S697-V701 PolarHBondContact O-N 3.01Å; K698-V701 PolarHBondContact O-N 3.06Å; L699-V701 PolarHBondContact O-N 2.91Å; V701-Q703 VanDerWaalsContact C-N 3.31Å; V701-Q703 PolarHBondContact O-N 2.94Å; V701-S704 VanDerWaalsContact O-CB 3.24Å; V701-S704 WeakPolarHBondContact O-CB 3.38Å; V701-S704 PolarHBondContact O-N 3.12Å; V701-F705 HydrophobicContact CG1-CE1 4.22Å; V701-F705 HydrophobicContact CG1-CE2 4.05Å; V701-F705 HydrophobicContact CG1-CZ 3.83Å; V701-F705 PolarHBondContact O-N 2.73Å
702	L	94.5	Very high	93.3	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-37.2	177.5	-69.2	172.5	0	0	0	111.7	W431 R445 A448 V449 L452 L536 K698 L699 F705 A706	W431-L702 HydrophobicContact CH2-CD2 4.18Å; W431-L702 HydrophobicContact CH2-CG 4.32Å; W431-L702 HydrophobicContact CZ3-CD2 4.11Å; R445-L702 HydrophobicContact CB-CD2 4.23Å; R445-L702 HydrophobicContact CG-CD2 4.21Å; A448-L702 HydrophobicContact CB-CD1 4.31Å; V449-L702 HydrophobicContact CG2-CD2 4.1Å; L452-L702 HydrophobicContact CD1-CB 4Å; L536-L702 HydrophobicContact CD1-CD1 3.9Å; K698-L702 VanDerWaalsContact O-CG 3.29Å; K698-L702 WeakPolarHBondContact O-CG 3.47Å; K698-L702 PolarHBondContact O-N 3.36Å; L699-L702 PolarHBondContact O-N 3.22Å; L702-F705 PolarHBondContact O-N 3.01Å; L702-A706 PolarHBondContact O-N 3.22Å
703	Q	93.5	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.1	-39.6	172.3	-75.1	-165.2	-15.7	0	0	112.1	L452 L459 T462 L699 D700 V701 F705 A706 Q707	L452-Q703 HydrophobicContact CD1-CG 3.96Å; L452-Q703 HydrophobicContact CD2-CG 4.31Å; L459-Q703 HydrophobicContact CD2-CB 4.32Å; L459-Q703 HydrophobicContact CD2-CG 3.76Å; T462-Q703 PolarHBondContact OG1-NE2 2.9Å; L699-Q703 HydrophobicContact CD1-CG 4.16Å; L699-Q703 HydrophobicContact CG-CG 4.46Å; L699-Q703 WeakPolarHBondContact O-CB 3.41Å; L699-Q703 WeakPolarHBondContact O-CG 3.36Å; L699-Q703 PolarHBondContact O-N 2.87Å; D700-Q703 PolarHBondContact O-N 2.68Å; V701-Q703 VanDerWaalsContact C-N 3.31Å; V701-Q703 PolarHBondContact O-N 2.94Å; Q703-F705 VanDerWaalsContact C-N 3.28Å; Q703-F705 PolarHBondContact O-N 2.96Å; Q703-A706 PolarHBondContact O-N 3.08Å; Q703-A706 VanDerWaalsContact O-N 3.11Å; Q703-Q707 WeakPolarHBondContact O-CB 3.3Å; Q703-Q707 WeakPolarHBondContact O-CG 3.44Å; Q703-Q707 PolarHBondContact O-N 2.96Å
704	S	95.4	Very high	92.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-54.6	-46.5	172.8	-164.2	0	0	0	0	111.3	L415 L417 C418 D700 V701 A706 Q707 Y708	L415-S704 PolarHBondContact O-OG 2.9Å; L417-S704 VanDerWaalsContact CA-OG 3.32Å; L417-S704 WeakPolarHBondContact CA-OG 3.4Å; L417-S704 WeakPolarHBondContact CB-OG 3.36Å; L417-S704 PolarHBondContact N-OG 2.94Å; C418-S704 PolarHBondContact N-OG 2.83Å; D700-S704 WeakPolarHBondContact O-CB 3.39Å; D700-S704 PolarHBondContact O-N 2.73Å; V701-S704 VanDerWaalsContact O-CB 3.24Å; V701-S704 WeakPolarHBondContact O-CB 3.38Å; V701-S704 PolarHBondContact O-N 3.12Å; S704-A706 PolarHBondContact O-N 3.32Å; S704-Q707 PolarHBondContact O-N 3.48Å; S704-Y708 WeakPolarHBondContact O-CB 3.27Å; S704-Y708 PolarHBondContact O-N 3.02Å
705	F	96	Very high	92.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-38.9	175.7	-64.3	-16.1	0	0	0	113.2	L415 L428 W431 V449 V701 L702 Q703 A709 L772 A774	L415-F705 HydrophobicContact CD1-CE1 4.42Å; L428-F705 HydrophobicContact CD1-CE1 3.72Å; L428-F705 HydrophobicContact CD1-CZ 4.03Å; W431-F705 AromaticContact CE3-CE2 3.87Å; W431-F705 HydrophobicContact CE3-CE2 3.87Å; W431-F705 HydrophobicContact CE3-CZ 4.13Å; W431-F705 AromaticContact CZ3-CE2 3.92Å; W431-F705 HydrophobicContact CZ3-CE2 3.92Å; V449-F705 HydrophobicContact CG1-CB 4.44Å; V449-F705 HydrophobicContact CG2-CB 3.91Å; V449-F705 HydrophobicContact CG2-CD2 4.42Å; V701-F705 HydrophobicContact CG1-CE1 4.22Å; V701-F705 HydrophobicContact CG1-CE2 4.05Å; V701-F705 HydrophobicContact CG1-CZ 3.83Å; V701-F705 PolarHBondContact O-N 2.73Å; L702-F705 PolarHBondContact O-N 3.01Å; Q703-F705 VanDerWaalsContact C-N 3.28Å; Q703-F705 PolarHBondContact O-N 2.96Å; F705-A709 WeakPolarHBondContact O-CB 3.34Å; F705-A709 PolarHBondContact O-N 3.43Å; F705-L772 HydrophobicContact CE2-CB 4.16Å; F705-L772 HydrophobicContact CZ-CB 4.05Å; F705-L772 HydrophobicContact CZ-CD1 4.25Å; F705-A774 HydrophobicContact CB-CB 4.38Å; F705-A774 HydrophobicContact CD1-CB 4.19Å; F705-A774 HydrophobicContact CD2-CB 4.07Å; F705-A774 HydrophobicContact CE1-CB 4.5Å; F705-A774 HydrophobicContact CE2-CB 4.38Å; F705-A774 HydrophobicContact CG-CB 3.97Å
706	A	94.3	Very high	92.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-41.2	176.1	0	0	0	0	0	112	V449 L452 I453 L459 L702 Q703 S704 A709 R710	V449-A706 HydrophobicContact CG1-CB 4.18Å; L452-A706 HydrophobicContact CB-CB 3.81Å; L452-A706 HydrophobicContact CD1-CB 4.36Å; I453-A706 HydrophobicContact CG1-CB 3.92Å; L459-A706 HydrophobicContact CD1-CB 4.37Å; L702-A706 PolarHBondContact O-N 3.22Å; Q703-A706 PolarHBondContact O-N 3.08Å; Q703-A706 VanDerWaalsContact O-N 3.11Å; S704-A706 PolarHBondContact O-N 3.32Å; A706-A709 PolarHBondContact O-N 2.97Å; A706-R710 WeakPolarHBondContact O-CG 3.45Å; A706-R710 PolarHBondContact O-N 3.33Å
707	Q	93.5	Very high	92.4	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-43.2	175.8	-73.3	-175.9	-3.5	0	0	111.7	L417 C463 Q703 S704 A709 R710 N711	L417-Q707 HydrophobicContact CB-CB 4.43Å; L417-Q707 HydrophobicContact CD1-CB 3.73Å; L417-Q707 PolarHBondContact O-OE1 3.17Å; C463-Q707 PolarHBondContact SG-NE2 3.5Å; Q703-Q707 WeakPolarHBondContact O-CB 3.3Å; Q703-Q707 WeakPolarHBondContact O-CG 3.44Å; Q703-Q707 PolarHBondContact O-N 2.96Å; S704-Q707 PolarHBondContact O-N 3.48Å; Q707-A709 VanDerWaalsContact C-N 3.26Å; Q707-A709 PolarHBondContact O-N 3.49Å; Q707-R710 PolarHBondContact O-N 3.38Å; Q707-N711 VanDerWaalsContact O-CB 3.31Å; Q707-N711 WeakPolarHBondContact O-CB 3.47Å; Q707-N711 PolarHBondContact O-N 3.13Å; Q707-N711 PolarHBondContact O-ND2 3.19Å
708	Y	94.5	Very high	92.4	Very high	18 Å²	18	37 Å²	37	7%	0.071	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-46	173.6	173.5	-96.5	0	0	0	110.3	E414 L415 S704 R710 N711 C712 I716 M769	E414-Y708 HydrophobicContact CG-CE2 3.96Å; L415-Y708 HydrophobicContact CD2-CD1 3.92Å; L415-Y708 HydrophobicContact CD2-CD2 3.82Å; L415-Y708 HydrophobicContact CD2-CE1 4.13Å; L415-Y708 HydrophobicContact CD2-CE2 4.04Å; L415-Y708 HydrophobicContact CD2-CG 3.76Å; S704-Y708 WeakPolarHBondContact O-CB 3.27Å; S704-Y708 PolarHBondContact O-N 3.02Å; Y708-R710 PolarHBondContact O-N 3.27Å; Y708-N711 PolarHBondContact O-N 3.26Å; Y708-C712 WeakPolarHBondContact O-CB 3.47Å; Y708-C712 PolarHBondContact O-N 3.48Å; Y708-I716 HydrophobicContact CD1-CD1 4.21Å; Y708-I716 HydrophobicContact CE1-CD1 3.99Å; Y708-M769 HydrophobicContact CD1-CE 4.42Å; Y708-M769 HydrophobicContact CE1-CE 3.52Å
709	A	93.8	Very high	92.4	Very high	11 Å²	11	34.9 Å²	34.9	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-38.6	178.7	0	0	0	0	0	113.6	I453 F705 A706 Q707 I716 H775	I453-A709 HydrophobicContact CD1-CB 3.68Å; F705-A709 WeakPolarHBondContact O-CB 3.34Å; F705-A709 PolarHBondContact O-N 3.43Å; A706-A709 PolarHBondContact O-N 2.97Å; Q707-A709 VanDerWaalsContact C-N 3.26Å; Q707-A709 PolarHBondContact O-N 3.49Å; A709-I716 HydrophobicContact CB-CD1 3.84Å; A709-H775 HydrophobicContact CB-CB 3.99Å
710	R	91	Very high	92.4	Very high	102 Å²	102	38.6 Å²	38.6	39%	0.385	21%	0.206	S	C	.	.	H	α-helix	trans	-70.6	-37.9	177.1	-75.2	179.1	68	-167.4	-1.6	113	I453 D460 A706 Q707 Y708	I453-R710 HydrophobicContact CG1-CG 4.35Å; I453-R710 HydrophobicContact CG2-CG 4.22Å; D460-R710 IonicContact OD1-NH1 2.66Å; A706-R710 WeakPolarHBondContact O-CG 3.45Å; A706-R710 PolarHBondContact O-N 3.33Å; Q707-R710 PolarHBondContact O-N 3.38Å; Y708-R710 PolarHBondContact O-N 3.27Å
711	N	90.5	Very high	92.1	Very high	114 Å²	114	39.8 Å²	39.8	61%	0.61	21%	0.211	S	C	*	.	H	α-helix	trans	-92.5	-5.2	-173.4	-64.5	-24.9	0	0	0	113	Q707 Y708 P713	Q707-N711 VanDerWaalsContact O-CB 3.31Å; Q707-N711 WeakPolarHBondContact O-CB 3.47Å; Q707-N711 PolarHBondContact O-N 3.13Å; Q707-N711 PolarHBondContact O-ND2 3.19Å; Y708-N711 PolarHBondContact O-N 3.26Å; N711-P713 WeakPolarHBondContact O-CD 3.38Å
712	C	88	Confident	91.5	Very high	22 Å²	22	40.4 Å²	40.4	15%	0.149	22%	0.216	C	C	.	.			trans	-61.3	120.6	178.1	-166.6	0	0	0	0	109.7	Y708 H714 I716	Y708-C712 WeakPolarHBondContact O-CB 3.47Å; Y708-C712 PolarHBondContact O-N 3.48Å; C712-H714 PolarHBondContact O-N 3.21Å; C712-I716 HydrophobicContact CB-CD1 4.16Å
713	P	86.2	Confident	90.3	Very high	116 Å²	116	46.7 Å²	46.7	75%	0.753	26%	0.26	S	S	*	.	S	Bend	trans	-73.7	-6.7	179.7	30.3	-35	0	0	0	112.7	N711	N711-P713 WeakPolarHBondContact O-CD 3.38Å
714	H	83.5	Confident	89	Confident	75 Å²	75	49.1 Å²	49.1	35%	0.347	28%	0.278	S	S	.	.	S	Bend	trans	-109.1	165.4	-176.7	-57.9	-61.5	0	0	0	111.2	C712 I716	C712-H714 PolarHBondContact O-N 3.21Å; H714-I716 PolarHBondContact O-N 3.12Å
715	T	88.8	Confident	87.5	Confident	92 Å²	92	53.8 Å²	53.8	56%	0.564	30%	0.295	S	S	*	.			trans	-58.4	126.1	169.6	-50.6	0	0	0	0	109.7	P777 A778 E779	T715-P777 CarbonylContact O-C 3.28Å; T715-P777 VanDerWaalsContact O-C 3.32Å; T715-P777 WeakPolarHBondContact O-CA 3.5Å; T715-A778 PolarHBondContact O-N 3.37Å; T715-A778 VanDerWaalsContact O-N 3.08Å; T715-E779 HydrophobicContact CG2-CB 4.48Å; T715-E779 HydrophobicContact CG2-CG 4.06Å
716	I	92.6	Very high	85.5	Confident	44 Å²	44	57 Å²	57	23%	0.226	32%	0.315	C	S	.	.			trans	-120.5	144.2	178.4	-150.9	-178.5	0	0	0	109.4	Y708 A709 C712 H714 H775 V776 A778	Y708-I716 HydrophobicContact CD1-CD1 4.21Å; Y708-I716 HydrophobicContact CE1-CD1 3.99Å; A709-I716 HydrophobicContact CB-CD1 3.84Å; C712-I716 HydrophobicContact CB-CD1 4.16Å; H714-I716 PolarHBondContact O-N 3.12Å; I716-H775 HydrophobicContact CD1-CB 3.36Å; I716-H775 HydrophobicContact CG1-CB 3.76Å; I716-V776 WeakPolarHBondContact CA-O 3.42Å; I716-V776 VanDerWaalsContact CG1-C 3.43Å; I716-V776 WeakPolarHBondContact CG1-O 3.48Å; I716-A778 CarbonylContact C-O 3.57Å
717	C	93.4	Very high	83.5	Confident	17 Å²	17	58.8 Å²	58.8	12%	0.115	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-134.2	157.1	176.4	69.5	0	0	0	0	111.3	V776 A778	C717-V776 PolarHBondContact N-O 2.95Å; C717-V776 PolarHBondContact O-N 3.34Å; C717-A778 VanDerWaalsContact CB-O 3.23Å; C717-A778 WeakPolarHBondContact CB-O 3.27Å; C717-A778 PolarHBondContact N-O 3.03Å; C717-A778 PolarHBondContact SG-O 3.42Å
718	K	94.5	Very high	81.4	Confident	87 Å²	87	64.8 Å²	64.8	38%	0.378	36%	0.359	S	S	.	.			trans	-79.2	121.2	169	-179.1	170.3	58.7	-173.6	0	109.1	Q446 D450	Q446-K718 HydrophobicContact CB-CD 3.93Å; Q446-K718 HydrophobicContact CB-CG 4.3Å; Q446-K718 HydrophobicContact CG-CG 4.36Å; D450-K718 WeakPolarHBondContact OD2-CD 3.49Å; D450-K718 IonicContact OD2-NZ 3.45Å; D450-K718 PolarHBondContact OD2-NZ 3.23Å
719	P	93.1	Very high	79.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	39%	0.385	C	S	.	.			trans	-71.7	142.9	-178.5	24.5	-26.8	0	0	0	111.7	Q446 A770 A774 V776 F781	Q446-P719 PolarHBondContact NE2-O 2.82Å; Q446-P719 PolarHBondContact OE1-O 3.48Å; P719-A770 HydrophobicContact CB-CB 3.7Å; P719-A770 HydrophobicContact CG-CB 3.69Å; P719-A774 WeakPolarHBondContact CD-O 3.18Å; P719-A774 WeakPolarHBondContact CG-O 3.34Å; P719-V776 HydrophobicContact CB-CG2 4.15Å; P719-V776 HydrophobicContact CG-CG1 4.13Å; P719-V776 HydrophobicContact CG-CG2 4.31Å; P719-F781 WeakPolarHBondContact CA-O 3.4Å; P719-F781 HydrophobicContact CB-CB 4.27Å; P719-F781 HydrophobicContact CB-CD1 3.7Å; P719-F781 HydrophobicContact CB-CG 4.42Å
720	V	92.6	Very high	77.2	Confident	80 Å²	80	70.5 Å²	70.5	49%	0.485	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.1	-175.9	-179.8	0	0	0	0	110.7	F781 I782 L783	V720-F781 PolarHBondContact N-O 3.46Å; V720-I782 HydrophobicContact CB-CG1 4.46Å; V720-I782 WeakPolarHBondContact O-CA 3.37Å; V720-L783 PolarHBondContact O-N 3.33Å
721	F	88.3	Confident	75.4	Confident	25 Å²	25	70.4 Å²	70.4	11%	0.11	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	114.2	175.5	-73.1	-93.2	0	0	0	111	I439 I442 A770 H771 L783 P785	I439-F721 HydrophobicContact CG2-CB 3.92Å; I439-F721 HydrophobicContact CG2-CG 4.4Å; I442-F721 HydrophobicContact CD1-CE1 4.43Å; I442-F721 HydrophobicContact CD1-CE2 4.22Å; I442-F721 HydrophobicContact CD1-CZ 3.97Å; I442-F721 HydrophobicContact CG2-CD2 4.21Å; I442-F721 HydrophobicContact CG2-CE2 3.62Å; I442-F721 HydrophobicContact CG2-CZ 4.33Å; F721-A770 HydrophobicContact CE2-CB 4.38Å; F721-A770 HydrophobicContact CZ-CB 4.13Å; F721-H771 AromaticContact CE1-CD2 3.9Å; F721-H771 AromaticContact CE1-CE1 3.78Å; F721-H771 AromaticContact CE1-NE2 3.49Å; F721-H771 WeakPolarHBondContact CE1-NE2 3.24Å; F721-H771 AromaticContact CZ-CD2 3.86Å; F721-H771 AromaticContact CZ-NE2 3.95Å; F721-L783 CarbonylContact C-O 3.59Å; F721-L783 VanDerWaalsContact CA-O 3.26Å; F721-L783 WeakPolarHBondContact CA-O 3.29Å; F721-L783 HydrophobicContact CD1-CD2 3.95Å; F721-L783 HydrophobicContact CD1-CG 3.96Å; F721-L783 HydrophobicContact CD2-CD2 4.26Å; F721-L783 HydrophobicContact CE1-CD1 3.84Å; F721-L783 HydrophobicContact CE1-CD2 3.78Å; F721-L783 HydrophobicContact CE1-CG 3.72Å; F721-L783 HydrophobicContact CE2-CD2 4.08Å; F721-L783 HydrophobicContact CG-CD2 4.2Å; F721-L783 HydrophobicContact CZ-CD1 4.18Å; F721-L783 HydrophobicContact CZ-CD2 3.86Å; F721-L783 HydrophobicContact CZ-CG 4.23Å; F721-P785 HydrophobicContact CD1-CB 4.41Å; F721-P785 HydrophobicContact CD1-CG 4.07Å
722	A	82.8	Confident	73.5	Confident	12 Å²	12	65.1 Å²	65.1	10%	0.099	37%	0.372	C	S	.	.			trans	-78.1	142	176.1	0	0	0	0	0	111.5	V727 T732 I782 L783 T784	A722-V727 HydrophobicContact CB-CG2 3.4Å; A722-V727 VanDerWaalsContact CB-CG2 3.4Å; A722-T732 HydrophobicContact CB-CG2 3.9Å; A722-I782 HydrophobicContact CB-CG2 4.23Å; A722-L783 PolarHBondContact N-O 3.49Å; A722-T784 HydrophobicContact CB-CG2 4.22Å
723	S	71.1	Confident	71.7	Confident	135 Å²	135	65 Å²	65	94%	0.944	37%	0.369	S	S	*	.	S	Bend	trans	-75.8	-29.9	176.4	53.4	0	0	0	0	113.1
724	S	66.1	Low	70	Confident	52 Å²	52	59.8 Å²	59.8	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-112.7	151.1	176.8	179.3	0	0	0	0	110.8	T726 T732 T784	S724-T726 WeakPolarHBondContact CB-O 3.45Å; S724-T726 PolarHBondContact O-N 3.44Å; S724-T726 VanDerWaalsContact O-N 3.12Å; S724-T726 PolarHBondContact OG-N 3.13Å; S724-T726 PolarHBondContact OG-O 3.16Å; S724-T726 PolarHBondContact OG-OG1 2.82Å; S724-T726 VanDerWaalsContact OG-OG1 3.13Å; S724-T732 PolarHBondContact O-OG1 2.96Å; S724-T784 VanDerWaalsContact O-CG2 3.32Å; S724-T784 WeakPolarHBondContact O-CG2 3.2Å
725	R	62.9	Low	68.3	Low	97 Å²	97	58.8 Å²	58.8	37%	0.366	33%	0.331	S	S	.	.	S	Bend	trans	-66.5	-4.4	169.9	-67.7	-171.3	-177.1	-167	6.4	113.5	R731 T732 T784 A822 N823 R856	R725-R731 CarbonylContact O-C 3.59Å; R725-R731 VanDerWaalsContact O-CA 3.23Å; R725-R731 WeakPolarHBondContact O-CA 3.46Å; R725-T732 WeakPolarHBondContact CA-OG1 3.18Å; R725-T732 PolarHBondContact O-N 3.41Å; R725-T732 PolarHBondContact O-OG1 2.67Å; R725-T732 VanDerWaalsContact O-OG1 3.11Å; R725-T784 HydrophobicContact CG-CG2 4.25Å; R725-A822 PolarHBondContact NH1-O 3.42Å; R725-A822 VanDerWaalsContact NH1-O 3.12Å; R725-A822 PolarHBondContact NH2-O 3.48Å; R725-N823 PolarHBondContact NH2-OD1 3.11Å; R725-R856 PolarHBondContact NH1-O 2.63Å
726	T	55.1	Low	66.7	Low	69 Å²	69	56 Å²	56	42%	0.423	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126	173.4	34.6	0	0	0	0	110.1	S724 H730 R731	S724-T726 WeakPolarHBondContact CB-O 3.45Å; S724-T726 PolarHBondContact O-N 3.44Å; S724-T726 VanDerWaalsContact O-N 3.12Å; S724-T726 PolarHBondContact OG-N 3.13Å; S724-T726 PolarHBondContact OG-O 3.16Å; S724-T726 PolarHBondContact OG-OG1 2.82Å; S724-T726 VanDerWaalsContact OG-OG1 3.13Å; T726-H730 CarbonylContact C-O 3.4Å; T726-H730 VanDerWaalsContact CA-O 3.24Å; T726-H730 WeakPolarHBondContact CA-O 3.32Å; T726-R731 HydrophobicContact CG2-CG 3.93Å
727	V	52.1	Low	65.2	Low	37 Å²	37	55.3 Å²	55.3	22%	0.224	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.1	174.1	-179.6	0	0	0	0	107.4	A722 G729 H730 T732 L735	A722-V727 HydrophobicContact CB-CG2 3.4Å; A722-V727 VanDerWaalsContact CB-CG2 3.4Å; V727-G729 VanDerWaalsContact C-N 3.31Å; V727-G729 PolarHBondContact O-N 2.65Å; V727-H730 PolarHBondContact N-O 2.89Å; V727-H730 WeakPolarHBondContact O-CA 3.4Å; V727-H730 WeakPolarHBondContact O-CB 3.18Å; V727-H730 PolarHBondContact O-N 2.89Å; V727-T732 HydrophobicContact CG2-CG2 4.29Å; V727-L735 HydrophobicContact CB-CD1 4.31Å
728	N	49.5	Very low	63.6	Low	155 Å²	155	61.4 Å²	61.4	83%	0.829	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	40.1	-177.3	-60.8	-20.4	0	0	0	114.2	H730	N728-H730 PolarHBondContact O-CD2 3.37Å; N728-H730 VanDerWaalsContact O-CD2 3.3Å; N728-H730 PolarHBondContact O-N 2.93Å
729	G	49.3	Very low	61.6	Low	60 Å²	60	58 Å²	58	62%	0.619	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-21.3	-173	0	0	0	0	0	113.4	V727	V727-G729 VanDerWaalsContact C-N 3.31Å; V727-G729 PolarHBondContact O-N 2.65Å
730	H	50.1	Low	59.4	Low	90 Å²	90	61.3 Å²	61.3	42%	0.417	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133.2	-173.6	-66.9	-85.3	0	0	0	114.7	T726 V727 N728 T732 L735 D741	T726-H730 CarbonylContact C-O 3.4Å; T726-H730 VanDerWaalsContact CA-O 3.24Å; T726-H730 WeakPolarHBondContact CA-O 3.32Å; V727-H730 PolarHBondContact N-O 2.89Å; V727-H730 WeakPolarHBondContact O-CA 3.4Å; V727-H730 WeakPolarHBondContact O-CB 3.18Å; V727-H730 PolarHBondContact O-N 2.89Å; N728-H730 PolarHBondContact O-CD2 3.37Å; N728-H730 VanDerWaalsContact O-CD2 3.3Å; N728-H730 PolarHBondContact O-N 2.93Å; H730-T732 PolarHBondContact O-N 3.02Å; H730-L735 HydrophobicContact CB-CD1 4.44Å; H730-D741 WeakPolarHBondContact CA-OD1 3.41Å; H730-D741 WeakPolarHBondContact CA-OD2 3.32Å; H730-D741 WeakPolarHBondContact CB-OD1 3.43Å; H730-D741 IonicContact CE1-OD2 2.66Å; H730-D741 PolarHBondContact CE1-OD2 2.99Å; H730-D741 IonicContact CG-OD1 2.88Å; H730-D741 IonicContact CG-OD2 3.39Å; H730-D741 IonicContact ND1-OD1 3.86Å; H730-D741 PolarHBondContact ND1-OD1 3.07Å; H730-D741 VanDerWaalsContact ND1-OD1 3.16Å; H730-D741 IonicContact ND1-OD2 3.72Å; H730-D741 PolarHBondContact ND1-OD2 3.09Å
731	R	54.1	Low	57.7	Low	99 Å²	99	60.2 Å²	60.2	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.9	174.7	-74.3	-171.9	178.1	-164.3	3.7	110.6	R725 T726 F733 L734 D741	R725-R731 CarbonylContact O-C 3.59Å; R725-R731 VanDerWaalsContact O-CA 3.23Å; R725-R731 WeakPolarHBondContact O-CA 3.46Å; T726-R731 HydrophobicContact CG2-CG 3.93Å; R731-F733 PolarHBondContact O-N 3.01Å; R731-L734 HydrophobicContact CB-CD1 4.21Å; R731-L734 WeakPolarHBondContact O-CB 3.26Å; R731-L734 PolarHBondContact O-N 3.49Å; R731-D741 PolarHBondContact N-OD1 3.38Å
732	T	49.2	Very low	56.3	Low	3 Å²	3	62 Å²	62	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-25.3	-167.1	-28.4	0	0	0	0	114.8	A722 S724 R725 V727 H730 L734 I782 T784	A722-T732 HydrophobicContact CB-CG2 3.9Å; S724-T732 PolarHBondContact O-OG1 2.96Å; R725-T732 WeakPolarHBondContact CA-OG1 3.18Å; R725-T732 PolarHBondContact O-N 3.41Å; R725-T732 PolarHBondContact O-OG1 2.67Å; R725-T732 VanDerWaalsContact O-OG1 3.11Å; V727-T732 HydrophobicContact CG2-CG2 4.29Å; H730-T732 PolarHBondContact O-N 3.02Å; T732-L734 PolarHBondContact O-N 3.21Å; T732-I782 HydrophobicContact CG2-CB 4.43Å; T732-I782 HydrophobicContact CG2-CG2 3.74Å; T732-T784 HydrophobicContact CG2-CG2 4.4Å
733	F	51.5	Low	55.8	Low	21 Å²	21	61.6 Å²	61.6	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-56.9	-30.1	176.2	-179.5	-107.8	0	0	0	113.2	R731 L746 F825 R858 T859 I860	R731-F733 PolarHBondContact O-N 3.01Å; F733-L746 HydrophobicContact CE1-CB 3.9Å; F733-L746 HydrophobicContact CZ-CB 4.17Å; F733-F825 HydrophobicContact CE2-CD2 4.25Å; F733-F825 AromaticContact CE2-CE2 3.84Å; F733-F825 HydrophobicContact CE2-CE2 3.84Å; F733-R858 HydrophobicContact CB-CG 4.16Å; F733-R858 HydrophobicContact CD2-CB 3.59Å; F733-R858 HydrophobicContact CD2-CG 3.66Å; F733-R858 HydrophobicContact CE2-CB 3.82Å; F733-R858 HydrophobicContact CE2-CG 4.39Å; F733-R858 HydrophobicContact CG-CB 4.49Å; F733-R858 HydrophobicContact CG-CG 4.19Å; F733-T859 WeakPolarHBondContact CZ-O 3.38Å; F733-I860 HydrophobicContact CZ-CG1 4Å
734	L	48.6	Very low	56.4	Low	6 Å²	6	55.6 Å²	55.6	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-90	-23.1	-168	-72.7	162.2	0	0	0	113.4	R731 T732 V736 L737 K738 I739 A740 V742	R731-L734 HydrophobicContact CB-CD1 4.21Å; R731-L734 WeakPolarHBondContact O-CB 3.26Å; R731-L734 PolarHBondContact O-N 3.49Å; T732-L734 PolarHBondContact O-N 3.21Å; L734-V736 VanDerWaalsContact C-N 3.26Å; L734-V736 PolarHBondContact O-N 3.11Å; L734-L737 PolarHBondContact O-N 3.32Å; L734-K738 WeakPolarHBondContact O-CA 3.36Å; L734-K738 PolarHBondContact O-N 2.8Å; L734-I739 VanDerWaalsContact CB-O 3.27Å; L734-I739 WeakPolarHBondContact CB-O 3.45Å; L734-I739 HydrophobicContact CD2-CB 4.17Å; L734-I739 WeakPolarHBondContact CD2-O 3.41Å; L734-I739 PolarHBondContact O-N 2.98Å; L734-A740 VanDerWaalsContact CD1-O 3.26Å; L734-A740 WeakPolarHBondContact CD1-O 3.36Å; L734-A740 VanDerWaalsContact CD2-O 3.31Å; L734-A740 WeakPolarHBondContact CD2-O 3.44Å; L734-V742 VanDerWaalsContact CD1-N 3.26Å
735	L	49.8	Very low	57.5	Low	54 Å²	54	53.2 Å²	53.2	28%	0.283	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-29.7	173.8	-86.6	144.6	0	0	0	112.4	V727 H730 I782	V727-L735 HydrophobicContact CB-CD1 4.31Å; H730-L735 HydrophobicContact CB-CD1 4.44Å; L735-I782 HydrophobicContact CB-CB 4.33Å; L735-I782 HydrophobicContact CD1-CD1 4.48Å; L735-I782 HydrophobicContact CD2-CD1 4.25Å
736	V	54.2	Low	58.9	Low	33 Å²	33	48.6 Å²	48.6	20%	0.2	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-36.6	176.6	174.3	0	0	0	0	112.2	L734 V763 F781 I782	L734-V736 VanDerWaalsContact C-N 3.26Å; L734-V736 PolarHBondContact O-N 3.11Å; V736-V763 HydrophobicContact CG1-CG1 4.38Å; V736-F781 HydrophobicContact CB-CE2 4.24Å; V736-F781 HydrophobicContact CG1-CD2 3.98Å; V736-F781 HydrophobicContact CG1-CE2 3.42Å; V736-F781 VanDerWaalsContact CG1-CE2 3.42Å; V736-F781 HydrophobicContact CG1-CZ 4.2Å; V736-F781 HydrophobicContact CG2-CD2 4.1Å; V736-F781 HydrophobicContact CG2-CE2 3.83Å; V736-F781 HydrophobicContact CG2-CZ 4.09Å; V736-I782 WeakPolarHBondContact CG2-O 3.45Å
737	L	60.6	Low	60.6	Low	30 Å²	30	45.3 Å²	45.3	16%	0.157	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	1.5	-174.2	-69	176.9	0	0	0	113.8	L734 I739 L746 L759 V763 I860 L906	L734-L737 PolarHBondContact O-N 3.32Å; L737-I739 HydrophobicContact CB-CD1 3.87Å; L737-I739 HydrophobicContact CB-CG1 3.63Å; L737-I739 HydrophobicContact CD1-CD1 4.24Å; L737-I739 VanDerWaalsContact O-CG1 3.31Å; L737-I739 WeakPolarHBondContact O-CG1 3.44Å; L737-I739 PolarHBondContact O-N 3.17Å; L737-I739 VanDerWaalsContact O-N 3.14Å; L737-L746 HydrophobicContact CD1-CD2 3.63Å; L737-L759 HydrophobicContact CD2-CD1 3.99Å; L737-V763 HydrophobicContact CD2-CG2 3.69Å; L737-V763 HydrophobicContact CG-CG2 4.36Å; L737-I860 HydrophobicContact CD1-CD1 4.3Å; L737-L906 HydrophobicContact CB-CD2 4.1Å; L737-L906 HydrophobicContact CD1-CD2 4.14Å; L737-L906 HydrophobicContact CD2-CD2 4.05Å; L737-L906 HydrophobicContact CG-CD2 4.34Å
738	K	61.2	Low	62.5	Low	145 Å²	145	43.5 Å²	43.5	63%	0.63	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	30.1	-173.8	-62.2	-174.7	-179.8	178.5	0	113.5	L734 E779	L734-K738 WeakPolarHBondContact O-CA 3.36Å; L734-K738 PolarHBondContact O-N 2.8Å; K738-E779 IonicContact NZ-OE2 3.8Å; K738-E779 PolarHBondContact NZ-OE2 3.37Å
739	I	52	Low	64.4	Low	16 Å²	16	36.6 Å²	36.6	8%	0.082	21%	0.205	C	C	.	.			trans	-98.4	146.4	176.3	-29.8	177.6	0	0	0	108.4	L734 L737 L746 Q879 L906 P908	L734-I739 VanDerWaalsContact CB-O 3.27Å; L734-I739 WeakPolarHBondContact CB-O 3.45Å; L734-I739 HydrophobicContact CD2-CB 4.17Å; L734-I739 WeakPolarHBondContact CD2-O 3.41Å; L734-I739 PolarHBondContact O-N 2.98Å; L737-I739 HydrophobicContact CB-CD1 3.87Å; L737-I739 HydrophobicContact CB-CG1 3.63Å; L737-I739 HydrophobicContact CD1-CD1 4.24Å; L737-I739 VanDerWaalsContact O-CG1 3.31Å; L737-I739 WeakPolarHBondContact O-CG1 3.44Å; L737-I739 PolarHBondContact O-N 3.17Å; L737-I739 VanDerWaalsContact O-N 3.14Å; I739-L746 HydrophobicContact CD1-CD1 3.75Å; I739-L746 HydrophobicContact CD1-CD2 3.77Å; I739-L746 HydrophobicContact CD1-CG 4.4Å; I739-Q879 HydrophobicContact CG2-CG 4.28Å; I739-L906 HydrophobicContact CD1-CD1 4.37Å; I739-L906 HydrophobicContact CD1-CD2 3.26Å; I739-L906 HydrophobicContact CD1-CG 3.84Å; I739-L906 HydrophobicContact CG1-CD2 3.92Å; I739-L906 HydrophobicContact CG1-CG 4.47Å; I739-P908 HydrophobicContact CG2-CB 4.35Å
740	A	47.3	Very low	66.1	Low	68 Å²	68	34.2 Å²	34.2	56%	0.562	18%	0.18	S	C	*	.			trans	-67.7	174.3	-169.4	0	0	0	0	0	115.4	L734 V742 Q879	L734-A740 VanDerWaalsContact CD1-O 3.26Å; L734-A740 WeakPolarHBondContact CD1-O 3.36Å; L734-A740 VanDerWaalsContact CD2-O 3.31Å; L734-A740 WeakPolarHBondContact CD2-O 3.44Å; A740-V742 PolarHBondContact O-N 2.98Å; A740-Q879 VanDerWaalsContact N-NE2 3.18Å; A740-Q879 PolarHBondContact O-NE2 3.16Å; A740-Q879 PolarHBondContact O-OE1 3.48Å
741	D	55.5	Low	67.5	Low	58 Å²	58	30.3 Å²	30.3	31%	0.31	16%	0.164	S	C	.	.	S	Bend	trans	-78.6	40.2	-145.6	-144.4	10.7	0	0	0	120.2	H730 R731	H730-D741 WeakPolarHBondContact CA-OD1 3.41Å; H730-D741 WeakPolarHBondContact CA-OD2 3.32Å; H730-D741 WeakPolarHBondContact CB-OD1 3.43Å; H730-D741 IonicContact CE1-OD2 2.66Å; H730-D741 PolarHBondContact CE1-OD2 2.99Å; H730-D741 IonicContact CG-OD1 2.88Å; H730-D741 IonicContact CG-OD2 3.39Å; H730-D741 IonicContact ND1-OD1 3.86Å; H730-D741 PolarHBondContact ND1-OD1 3.07Å; H730-D741 VanDerWaalsContact ND1-OD1 3.16Å; H730-D741 IonicContact ND1-OD2 3.72Å; H730-D741 PolarHBondContact ND1-OD2 3.09Å; R731-D741 PolarHBondContact N-OD1 3.38Å
742	V	60.2	Low	68.5	Low	63 Å²	63	29.3 Å²	29.3	38%	0.382	17%	0.166	S	C	.	.			trans	-126.5	105.5	-164	-166	0	0	0	0	112.8	L734 A740 H876 Q879	L734-V742 VanDerWaalsContact CD1-N 3.26Å; A740-V742 PolarHBondContact O-N 2.98Å; V742-H876 VanDerWaalsContact CG1-O 3.29Å; V742-H876 WeakPolarHBondContact CG1-O 3.45Å; V742-Q879 WeakPolarHBondContact O-CB 3.33Å
743	G	71.3	Confident	69.7	Low	2 Å²	2	34.7 Å²	34.7	2%	0.021	19%	0.192	C	C	.	.			trans	78.6	169.1	165.7	0	0	0	0	0	116.8	L877	G743-L877 WeakPolarHBondContact CA-O 3.15Å
744	P	83.7	Confident	70.9	Confident	10 Å²	10	33.8 Å²	33.8	7%	0.065	19%	0.189	C	C	.	.	S	Bend	trans	-89.9	-2.6	176.7	35.9	-30.8	0	0	0	113.5	C857 R858 T859 L877	P744-C857 WeakPolarHBondContact CB-O 3.5Å; P744-R858 VanDerWaalsContact O-CA 3.29Å; P744-R858 WeakPolarHBondContact O-CA 3.48Å; P744-T859 PolarHBondContact O-N 3.08Å; P744-L877 VanDerWaalsContact CD-O 3.27Å; P744-L877 WeakPolarHBondContact CD-O 3.41Å
745	V	89.9	Confident	72.5	Confident	1 Å²	1	34 Å²	34	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	-173.6	-177.4	0	0	0	0	111.4	L848 A852 T859 L877 V878 Q879	V745-L848 HydrophobicContact CG1-CD1 3.55Å; V745-A852 HydrophobicContact CG2-CB 3.8Å; V745-T859 CarbonylContact C-O 3.56Å; V745-T859 WeakPolarHBondContact CA-O 3.37Å; V745-T859 HydrophobicContact CG1-CG2 4.43Å; V745-L877 PolarHBondContact N-O 2.92Å; V745-V878 HydrophobicContact CB-CG2 4.28Å; V745-V878 HydrophobicContact CG1-CG2 4.47Å; V745-Q879 PolarHBondContact O-N 2.86Å
746	L	91	Very high	74.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.8	168.7	175.5	63.4	0	0	0	109.6	F733 L737 I739 L748 T859 I860 F861 Q879 L906	F733-L746 HydrophobicContact CE1-CB 3.9Å; F733-L746 HydrophobicContact CZ-CB 4.17Å; L737-L746 HydrophobicContact CD1-CD2 3.63Å; I739-L746 HydrophobicContact CD1-CD1 3.75Å; I739-L746 HydrophobicContact CD1-CD2 3.77Å; I739-L746 HydrophobicContact CD1-CG 4.4Å; L746-L748 PolarHBondContact O-N 3.22Å; L746-T859 PolarHBondContact N-O 2.76Å; L746-I860 HydrophobicContact CD2-CG2 4.3Å; L746-F861 PolarHBondContact O-N 2.7Å; L746-Q879 CarbonylContact C-O 3.03Å; L746-Q879 WeakPolarHBondContact CA-O 3.41Å; L746-Q879 HydrophobicContact CD1-CG 4.44Å; L746-L906 HydrophobicContact CD2-CD2 4.34Å
747	L	92.3	Very high	75.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	102.9	168.6	-172.6	60.5	0	0	0	108.9	L848 F861 T863 L868 V869 F872 V878 Q879 L880 G881	L747-L848 HydrophobicContact CD1-CD2 3.87Å; L747-L848 HydrophobicContact CD2-CD2 4.08Å; L747-L848 HydrophobicContact CG-CD2 4.49Å; L747-F861 CarbonylContact C-O 3.54Å; L747-F861 WeakPolarHBondContact CA-O 3.49Å; L747-F861 HydrophobicContact CD1-CB 4.22Å; L747-F861 HydrophobicContact CD1-CD1 3.78Å; L747-F861 HydrophobicContact CD1-CG 4.34Å; L747-F861 WeakPolarHBondContact CD1-O 3.46Å; L747-T863 HydrophobicContact CD1-CG2 3.66Å; L747-T863 HydrophobicContact CG-CG2 4.24Å; L747-L868 HydrophobicContact CD1-CD2 4.32Å; L747-L868 HydrophobicContact CD2-CG 4.43Å; L747-V869 HydrophobicContact CD2-CG2 4.22Å; L747-F872 HydrophobicContact CD2-CB 4.38Å; L747-V878 HydrophobicContact CB-CG1 3.77Å; L747-Q879 PolarHBondContact N-O 3.01Å; L747-L880 HydrophobicContact CB-CD2 3.91Å; L747-L880 HydrophobicContact CD2-CD2 3.73Å; L747-L880 HydrophobicContact CG-CD2 4.2Å; L747-G881 PolarHBondContact O-N 2.85Å
748	L	91.3	Very high	77.2	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.4	-175.4	-175.6	65.2	0	0	0	111.1	L746 K756 L759 M760 I860 F861 S862 T863 G881 M883 L906	L746-L748 PolarHBondContact O-N 3.22Å; L748-K756 HydrophobicContact CD2-CB 3.95Å; L748-K756 HydrophobicContact CD2-CG 4.19Å; L748-K756 HydrophobicContact CG-CG 4.36Å; L748-L759 HydrophobicContact CD1-CD2 4.29Å; L748-L759 HydrophobicContact CD2-CD2 4.05Å; L748-M760 HydrophobicContact CD2-CG 4.4Å; L748-I860 HydrophobicContact CB-CG2 4.24Å; L748-I860 HydrophobicContact CD2-CG2 4.3Å; L748-F861 PolarHBondContact N-O 3.37Å; L748-S862 VanDerWaalsContact O-CA 3.31Å; L748-S862 WeakPolarHBondContact O-CA 3.31Å; L748-T863 PolarHBondContact O-N 3.42Å; L748-G881 CarbonylContact C-O 3.57Å; L748-G881 WeakPolarHBondContact CA-O 3.23Å; L748-M883 HydrophobicContact CD1-CG 4.42Å; L748-L906 HydrophobicContact CD1-CD1 3.5Å
749	T	90.4	Very high	78.5	Confident	10 Å²	10	26.1 Å²	26.1	6%	0.061	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	166	176.7	59.4	0	0	0	0	111.4	T863 V869 G881 H882 M883 C911	T749-T863 HydrophobicContact CG2-CG2 4.24Å; T749-V869 HydrophobicContact CG2-CG2 3.43Å; T749-V869 VanDerWaalsContact CG2-CG2 3.43Å; T749-G881 PolarHBondContact N-O 3.38Å; T749-G881 PolarHBondContact OG1-O 2.9Å; T749-H882 CarbonylContact O-C 3.57Å; T749-H882 WeakPolarHBondContact O-CA 3.49Å; T749-H882 WeakPolarHBondContact OG1-CB 3.47Å; T749-M883 PolarHBondContact O-N 3.32Å; T749-C911 WeakPolarHBondContact OG1-CB 3.31Å; T749-C911 PolarHBondContact OG1-N 3.4Å; T749-C911 VanDerWaalsContact OG1-N 3.13Å
750	G	84	Confident	80.4	Confident	9 Å²	9	25.4 Å²	25.4	9%	0.093	16%	0.156	C	C	.	.			trans	142.6	166.2	176	0	0	0	0	0	112.9	K756	G750-K756 PolarHBondContact O-NZ 3.39Å
751	A	78.8	Confident	82.4	Confident	9 Å²	9	24.5 Å²	24.5	7%	0.074	14%	0.139	C	C	.	.			trans	-60.3	153	-179.2	0	0	0	0	0	112.7	G754 K756 F902 Y915	A751-G754 PolarHBondContact O-N 3.19Å; A751-G754 VanDerWaalsContact O-N 3.09Å; A751-K756 VanDerWaalsContact C-NZ 3.29Å; A751-K756 PolarHBondContact O-NZ 2.81Å; A751-F902 HydrophobicContact CB-CE1 3.68Å; A751-F902 HydrophobicContact CB-CZ 4.35Å; A751-Y915 HydrophobicContact CB-CD2 4.41Å
752	N	75.9	Confident	84	Confident	78 Å²	78	23.2 Å²	23.2	42%	0.417	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	140.6	161.9	-66.9	-19.6	0	0	0	107.9	G754 K756 E830 H864	N752-G754 VanDerWaalsContact C-N 3.3Å; N752-K756 PolarHBondContact OD1-NZ 3.49Å; N752-K756 VanDerWaalsContact OD1-NZ 3.14Å; N752-E830 PolarHBondContact OD1-OE1 3.08Å; N752-H864 PolarHBondContact OD1-CE1 3.4Å; N752-H864 PolarHBondContact OD1-NE2 3.19Å
753	M	74.9	Confident	85.5	Confident	116 Å²	116	20.5 Å²	20.5	57%	0.571	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	-5.1	-165.5	-48.8	172.5	69.4	0	0	116.4	G755 F902 Y904	M753-G755 PolarHBondContact O-N 2.84Å; M753-G755 VanDerWaalsContact O-N 3.16Å; M753-F902 HydrophobicContact CB-CE2 4.1Å; M753-F902 HydrophobicContact CB-CZ 4.38Å; M753-Y904 VanDerWaalsContact O-CE1 3.32Å; M753-Y904 WeakPolarHBondContact O-CE1 3.3Å
754	G	75.7	Confident	86.5	Confident	2 Å²	2	20.4 Å²	20.4	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-73.1	0.1	177	0	0	0	0	0	115.7	A751 N752 M883	A751-G754 PolarHBondContact O-N 3.19Å; A751-G754 VanDerWaalsContact O-N 3.09Å; N752-G754 VanDerWaalsContact C-N 3.3Å; G754-M883 VanDerWaalsContact O-CB 3.3Å; G754-M883 WeakPolarHBondContact O-CB 3.07Å; G754-M883 WeakPolarHBondContact O-CE 3.44Å; G754-M883 WeakPolarHBondContact O-CG 3.39Å
755	G	83.4	Confident	87	Confident	9 Å²	9	20.8 Å²	20.8	9%	0.093	12%	0.115	C	C	.	.	S	Bend	trans	89.3	13.6	-179.7	0	0	0	0	0	116.1	M753 T758 L759	M753-G755 PolarHBondContact O-N 2.84Å; M753-G755 VanDerWaalsContact O-N 3.16Å; G755-T758 PolarHBondContact O-N 2.96Å; G755-L759 WeakPolarHBondContact O-CB 3.36Å; G755-L759 PolarHBondContact O-N 3.46Å
756	K	87.8	Confident	87.1	Confident	7 Å²	7	21.2 Å²	21.2	3%	0.03	12%	0.117	C	C	.	.	H	α-helix	trans	-55.2	-57.5	179.4	-61.9	-170.3	-57.5	-75.5	0	112.9	L748 G750 A751 N752 T758 L759 M760 E830 H864 M883	L748-K756 HydrophobicContact CD2-CB 3.95Å; L748-K756 HydrophobicContact CD2-CG 4.19Å; L748-K756 HydrophobicContact CG-CG 4.36Å; G750-K756 PolarHBondContact O-NZ 3.39Å; A751-K756 VanDerWaalsContact C-NZ 3.29Å; A751-K756 PolarHBondContact O-NZ 2.81Å; N752-K756 PolarHBondContact OD1-NZ 3.49Å; N752-K756 VanDerWaalsContact OD1-NZ 3.14Å; K756-T758 VanDerWaalsContact C-N 3.28Å; K756-T758 PolarHBondContact O-N 3.2Å; K756-L759 WeakPolarHBondContact O-CB 3.42Å; K756-L759 PolarHBondContact O-N 3.06Å; K756-M760 HydrophobicContact CB-CE 4.47Å; K756-M760 PolarHBondContact O-N 3.17Å; K756-M760 VanDerWaalsContact O-N 3.09Å; K756-E830 IonicContact NZ-OE1 2.83Å; K756-H864 PolarHBondContact NZ-CE1 3.1Å; K756-M883 HydrophobicContact CG-CG 3.8Å
757	S	87	Confident	87.3	Confident	43 Å²	43	21.6 Å²	21.6	30%	0.301	12%	0.12	S	C	.	.	H	α-helix	trans	-64.4	-34.5	-178.1	-43.4	0	0	0	0	111.9	M760 R761 D829	S757-M760 PolarHBondContact O-N 2.9Å; S757-R761 WeakPolarHBondContact O-CB 3.41Å; S757-R761 WeakPolarHBondContact O-CG 2.92Å; S757-R761 PolarHBondContact O-N 3.46Å; S757-D829 PolarHBondContact OG-OD2 3.19Å
758	T	87.5	Confident	87.5	Confident	26 Å²	26	21.6 Å²	21.6	16%	0.16	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-47.4	173.4	-53.7	0	0	0	0	112	L11 F14 G755 K756 M760 R761 Q762	L11-T758 HydrophobicContact CD2-CG2 4.14Å; F14-T758 HydrophobicContact CB-CG2 3.57Å; F14-T758 HydrophobicContact CD2-CG2 3.62Å; F14-T758 HydrophobicContact CG-CG2 3.73Å; G755-T758 PolarHBondContact O-N 2.96Å; K756-T758 VanDerWaalsContact C-N 3.28Å; K756-T758 PolarHBondContact O-N 3.2Å; T758-M760 VanDerWaalsContact C-N 3.34Å; T758-M760 PolarHBondContact O-N 3.02Å; T758-R761 PolarHBondContact O-N 3.27Å; T758-Q762 VanDerWaalsContact O-CB 3.29Å; T758-Q762 WeakPolarHBondContact O-CB 3.27Å; T758-Q762 PolarHBondContact O-N 2.73Å
759	L	89.4	Confident	87.7	Confident	22 Å²	22	21.8 Å²	21.8	12%	0.115	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-46.5	176.9	175.6	67.9	0	0	0	111.2	L737 L748 G755 K756 Q762 V763 M883 L906	L737-L759 HydrophobicContact CD2-CD1 3.99Å; L748-L759 HydrophobicContact CD1-CD2 4.29Å; L748-L759 HydrophobicContact CD2-CD2 4.05Å; G755-L759 WeakPolarHBondContact O-CB 3.36Å; G755-L759 PolarHBondContact O-N 3.46Å; K756-L759 WeakPolarHBondContact O-CB 3.42Å; K756-L759 PolarHBondContact O-N 3.06Å; L759-Q762 PolarHBondContact O-N 3.35Å; L759-V763 WeakPolarHBondContact O-CG2 3.03Å; L759-V763 PolarHBondContact O-N 2.88Å; L759-M883 HydrophobicContact CD2-SD 3.9Å; L759-L906 HydrophobicContact CD2-CB 4.31Å; L759-L906 HydrophobicContact CD2-CD1 3.96Å; L759-L906 HydrophobicContact CD2-CD2 3.82Å; L759-L906 HydrophobicContact CD2-CG 4.26Å
760	M	90.8	Very high	87.9	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-47.8	179	-74.9	-177.3	-66.6	0	0	112	L748 K756 S757 T758 Q762 V763 G764 I827 D829 I860	L748-M760 HydrophobicContact CD2-CG 4.4Å; K756-M760 HydrophobicContact CB-CE 4.47Å; K756-M760 PolarHBondContact O-N 3.17Å; K756-M760 VanDerWaalsContact O-N 3.09Å; S757-M760 PolarHBondContact O-N 2.9Å; T758-M760 VanDerWaalsContact C-N 3.34Å; T758-M760 PolarHBondContact O-N 3.02Å; M760-Q762 VanDerWaalsContact C-N 3.35Å; M760-Q762 PolarHBondContact O-N 3.44Å; M760-V763 PolarHBondContact O-N 3.09Å; M760-G764 PolarHBondContact O-N 3.11Å; M760-G764 VanDerWaalsContact O-N 3.1Å; M760-I827 HydrophobicContact CB-CD1 4.28Å; M760-I827 HydrophobicContact CB-CG2 3.73Å; M760-I827 HydrophobicContact CG-CG2 3.99Å; M760-I827 VanDerWaalsContact O-CD1 3.23Å; M760-I827 WeakPolarHBondContact O-CD1 3.37Å; M760-I827 HydrophobicContact SD-CG2 3.59Å; M760-I827 VanDerWaalsContact SD-CG2 3.59Å; M760-D829 HydrophobicContact CE-CB 3.79Å; M760-D829 VanDerWaalsContact CE-OD1 3.31Å; M760-D829 WeakPolarHBondContact CE-OD1 3.26Å; M760-D829 WeakPolarHBondContact CE-OD2 3.4Å; M760-D829 HydrophobicContact SD-CB 4.47Å; M760-I860 HydrophobicContact CG-CB 4.11Å; M760-I860 HydrophobicContact CG-CD1 4.45Å; M760-I860 HydrophobicContact CG-CG2 3.52Å; M760-I860 HydrophobicContact SD-CB 4.43Å; M760-I860 HydrophobicContact SD-CG2 3.81Å
761	R	89.6	Confident	88.5	Confident	50 Å²	50	20.9 Å²	20.9	19%	0.189	11%	0.113	C	C	.	.	H	α-helix	trans	-59.4	-46.4	175.7	-72.7	-178.3	-173.1	-123	-9.6	111.2	F14 N395 L396 D397 S757 T758 V763 G764 T765 I793	F14-R761 HydrophobicContact CZ-CB 4.38Å; N395-R761 PolarHBondContact O-NE 3.47Å; N395-R761 PolarHBondContact O-NH1 2.82Å; N395-R761 PolarHBondContact O-NH2 2.99Å; L396-R761 HydrophobicContact CD2-CB 4.33Å; L396-R761 HydrophobicContact CD2-CG 4.21Å; D397-R761 IonicContact OD1-NH1 3.78Å; D397-R761 IonicContact OD2-CZ 2.68Å; D397-R761 IonicContact OD2-NH1 3.17Å; D397-R761 PolarHBondContact OD2-NH1 3.49Å; S757-R761 WeakPolarHBondContact O-CB 3.41Å; S757-R761 WeakPolarHBondContact O-CG 2.92Å; S757-R761 PolarHBondContact O-N 3.46Å; T758-R761 PolarHBondContact O-N 3.27Å; R761-V763 PolarHBondContact O-N 2.85Å; R761-G764 PolarHBondContact O-N 3.38Å; R761-G764 VanDerWaalsContact O-N 3.11Å; R761-T765 PolarHBondContact O-N 2.97Å; R761-T765 PolarHBondContact O-OG1 3.41Å; R761-T765 VanDerWaalsContact O-OG1 3.05Å; R761-I793 HydrophobicContact CG-CD1 3.92Å
762	Q	89.2	Confident	89.4	Confident	30 Å²	30	20.4 Å²	20.4	14%	0.14	11%	0.109	C	C	.	.	H	α-helix	trans	-56.1	-50.2	178.8	-177.9	-175.7	-8.4	0	0	111.7	L10 T758 L759 M760 G764 T765 L766	L10-Q762 HydrophobicContact CD1-CG 4.15Å; T758-Q762 VanDerWaalsContact O-CB 3.29Å; T758-Q762 WeakPolarHBondContact O-CB 3.27Å; T758-Q762 PolarHBondContact O-N 2.73Å; L759-Q762 PolarHBondContact O-N 3.35Å; M760-Q762 VanDerWaalsContact C-N 3.35Å; M760-Q762 PolarHBondContact O-N 3.44Å; Q762-G764 VanDerWaalsContact C-N 3.28Å; Q762-G764 PolarHBondContact O-N 3.22Å; Q762-T765 PolarHBondContact O-N 2.98Å; Q762-L766 HydrophobicContact CG-CD1 4.11Å; Q762-L766 HydrophobicContact CG-CG 4.45Å; Q762-L766 VanDerWaalsContact O-CG 3.25Å; Q762-L766 WeakPolarHBondContact O-CG 3.35Å; Q762-L766 PolarHBondContact O-N 2.86Å
763	V	91.5	Very high	90.3	Very high	7 Å²	7	16.7 Å²	16.7	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-42.6	178	177	0	0	0	0	110.8	V736 L737 L759 M760 R761 L766 I767 F825 I860	V736-V763 HydrophobicContact CG1-CG1 4.38Å; L737-V763 HydrophobicContact CD2-CG2 3.69Å; L737-V763 HydrophobicContact CG-CG2 4.36Å; L759-V763 WeakPolarHBondContact O-CG2 3.03Å; L759-V763 PolarHBondContact O-N 2.88Å; M760-V763 PolarHBondContact O-N 3.09Å; R761-V763 PolarHBondContact O-N 2.85Å; V763-L766 PolarHBondContact O-N 2.84Å; V763-I767 HydrophobicContact CG1-CD1 4.08Å; V763-I767 WeakPolarHBondContact O-CG1 3.36Å; V763-I767 PolarHBondContact O-N 3.36Å; V763-I767 VanDerWaalsContact O-N 3.09Å; V763-F825 HydrophobicContact CB-CZ 4.35Å; V763-F825 HydrophobicContact CG1-CE1 4.5Å; V763-F825 HydrophobicContact CG1-CE2 3.97Å; V763-F825 HydrophobicContact CG1-CZ 3.58Å; V763-I860 HydrophobicContact CB-CD1 4.08Å; V763-I860 HydrophobicContact CG1-CD1 4.15Å; V763-I860 HydrophobicContact CG2-CD1 4.05Å
764	G	92.8	Very high	91.3	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.9	-45.5	178	0	0	0	0	0	112.8	M760 R761 Q762 I767 I768	M760-G764 PolarHBondContact O-N 3.11Å; M760-G764 VanDerWaalsContact O-N 3.1Å; R761-G764 PolarHBondContact O-N 3.38Å; R761-G764 VanDerWaalsContact O-N 3.11Å; Q762-G764 VanDerWaalsContact C-N 3.28Å; Q762-G764 PolarHBondContact O-N 3.22Å; G764-I767 PolarHBondContact O-N 3.05Å; G764-I768 WeakPolarHBondContact O-CG1 3.33Å; G764-I768 PolarHBondContact O-N 3.28Å; G764-I768 VanDerWaalsContact O-N 3.17Å
765	T	93	Very high	92.2	Very high	18 Å²	18	11.8 Å²	11.8	11%	0.11	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-43.1	175.9	-58.9	0	0	0	0	112.2	L411 R761 Q762 I767 I768 M769	L411-T765 HydrophobicContact CD1-CG2 3.59Å; L411-T765 HydrophobicContact CD2-CG2 3.88Å; L411-T765 HydrophobicContact CG-CG2 4.22Å; R761-T765 PolarHBondContact O-N 2.97Å; R761-T765 PolarHBondContact O-OG1 3.41Å; R761-T765 VanDerWaalsContact O-OG1 3.05Å; Q762-T765 PolarHBondContact O-N 2.98Å; T765-I767 VanDerWaalsContact C-N 3.33Å; T765-I767 PolarHBondContact O-N 3.39Å; T765-I768 WeakPolarHBondContact O-CB 3.33Å; T765-I768 PolarHBondContact O-N 2.99Å; T765-M769 HydrophobicContact CG2-SD 4.2Å; T765-M769 WeakPolarHBondContact O-CG 3.37Å; T765-M769 PolarHBondContact O-N 3.23Å
766	L	93.6	Very high	92.7	Very high	9 Å²	9	11.4 Å²	11.4	5%	0.047	6%	0.06	C	C	.	.	H	α-helix	trans	-64.4	-36.7	178.7	-66	172.2	0	0	0	112.4	Q762 V763 M769 A770 V776 P777 F781	Q762-L766 HydrophobicContact CG-CD1 4.11Å; Q762-L766 HydrophobicContact CG-CG 4.45Å; Q762-L766 VanDerWaalsContact O-CG 3.25Å; Q762-L766 WeakPolarHBondContact O-CG 3.35Å; Q762-L766 PolarHBondContact O-N 2.86Å; V763-L766 PolarHBondContact O-N 2.84Å; L766-M769 HydrophobicContact CD2-SD 4.48Å; L766-M769 PolarHBondContact O-N 2.88Å; L766-A770 WeakPolarHBondContact O-CB 3.47Å; L766-A770 PolarHBondContact O-N 2.88Å; L766-V776 HydrophobicContact CD2-CB 4.01Å; L766-V776 HydrophobicContact CD2-CG1 4.5Å; L766-P777 HydrophobicContact CD2-CG 3.81Å; L766-F781 HydrophobicContact CB-CD2 4.46Å; L766-F781 HydrophobicContact CB-CE2 3.59Å; L766-F781 HydrophobicContact CB-CZ 3.73Å; L766-F781 HydrophobicContact CD1-CD2 4.48Å; L766-F781 HydrophobicContact CD1-CE2 4Å; L766-F781 HydrophobicContact CG-CE2 4.41Å
767	I	94.5	Very high	92.9	Very high	9 Å²	9	11.9 Å²	11.9	5%	0.046	6%	0.064	C	C	.	.	H	α-helix	trans	-62.3	-45.7	173.8	-68.6	167.4	0	0	0	110.1	M386 V763 G764 T765 M769 A770 H771 F781 L783 V786 M789 F825	M386-I767 HydrophobicContact SD-CG2 4.21Å; V763-I767 HydrophobicContact CG1-CD1 4.08Å; V763-I767 WeakPolarHBondContact O-CG1 3.36Å; V763-I767 PolarHBondContact O-N 3.36Å; V763-I767 VanDerWaalsContact O-N 3.09Å; G764-I767 PolarHBondContact O-N 3.05Å; T765-I767 VanDerWaalsContact C-N 3.33Å; T765-I767 PolarHBondContact O-N 3.39Å; I767-M769 PolarHBondContact O-N 2.76Å; I767-A770 PolarHBondContact O-N 2.82Å; I767-H771 PolarHBondContact O-CD2 2.8Å; I767-H771 VanDerWaalsContact O-CD2 3.32Å; I767-H771 PolarHBondContact O-N 3.24Å; I767-F781 HydrophobicContact CG1-CZ 4.18Å; I767-L783 HydrophobicContact CG1-CD1 4.45Å; I767-L783 HydrophobicContact CG2-CD1 4.41Å; I767-V786 HydrophobicContact CG2-CB 4.11Å; I767-V786 HydrophobicContact CG2-CG2 3.82Å; I767-M789 HydrophobicContact CB-SD 4.34Å; I767-M789 HydrophobicContact CD1-SD 4.27Å; I767-M789 HydrophobicContact CG2-SD 3.79Å; I767-F825 HydrophobicContact CD1-CB 4.37Å; I767-F825 HydrophobicContact CD1-CD1 3.79Å; I767-F825 HydrophobicContact CD1-CD2 3.65Å; I767-F825 HydrophobicContact CD1-CE1 3.84Å; I767-F825 HydrophobicContact CD1-CE2 3.72Å; I767-F825 HydrophobicContact CD1-CG 3.68Å; I767-F825 HydrophobicContact CD1-CZ 3.83Å
768	I	96	Very high	93	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58	-51	177.2	-65.4	167.5	0	0	0	110	M386 M388 L396 V398 L411 P435 G764 T765 A770 H771 L772	M386-I768 HydrophobicContact CE-CG1 3.91Å; M388-I768 HydrophobicContact CE-CD1 4.47Å; M388-I768 HydrophobicContact SD-CD1 3.55Å; M388-I768 VanDerWaalsContact SD-CD1 3.55Å; M388-I768 HydrophobicContact SD-CG1 3.64Å; L396-I768 HydrophobicContact CD1-CD1 3.82Å; V398-I768 HydrophobicContact CG1-CD1 4.46Å; V398-I768 HydrophobicContact CG2-CD1 3.62Å; L411-I768 HydrophobicContact CD2-CB 4.45Å; L411-I768 HydrophobicContact CD2-CG2 3.99Å; P435-I768 HydrophobicContact CG-CG2 4.03Å; G764-I768 WeakPolarHBondContact O-CG1 3.33Å; G764-I768 PolarHBondContact O-N 3.28Å; G764-I768 VanDerWaalsContact O-N 3.17Å; T765-I768 WeakPolarHBondContact O-CB 3.33Å; T765-I768 PolarHBondContact O-N 2.99Å; I768-A770 VanDerWaalsContact C-N 3.31Å; I768-A770 PolarHBondContact O-N 3.06Å; I768-H771 CarbonylContact O-C 3.51Å; I768-H771 PolarHBondContact O-N 3.06Å; I768-H771 VanDerWaalsContact O-N 3.08Å; I768-L772 HydrophobicContact CG2-CD1 4.29Å; I768-L772 HydrophobicContact CG2-CG 4.46Å; I768-L772 WeakPolarHBondContact O-CG 3.49Å; I768-L772 PolarHBondContact O-N 2.98Å
769	M	95.8	Very high	93.1	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.015	8%	0.077	C	C	.	.	H	α-helix	trans	-57.3	-42	178.6	-68.4	175	68.6	0	0	112.6	L411 L415 Y708 T765 L766 I767 H771 L772 G773 A774 H775 V776	L411-M769 HydrophobicContact CD1-CG 4.2Å; L411-M769 HydrophobicContact CD1-SD 4.13Å; L411-M769 HydrophobicContact CD2-CG 4.4Å; L415-M769 HydrophobicContact CD1-CG 4.34Å; L415-M769 HydrophobicContact CD2-CE 4.19Å; Y708-M769 HydrophobicContact CD1-CE 4.42Å; Y708-M769 HydrophobicContact CE1-CE 3.52Å; T765-M769 HydrophobicContact CG2-SD 4.2Å; T765-M769 WeakPolarHBondContact O-CG 3.37Å; T765-M769 PolarHBondContact O-N 3.23Å; L766-M769 HydrophobicContact CD2-SD 4.48Å; L766-M769 PolarHBondContact O-N 2.88Å; I767-M769 PolarHBondContact O-N 2.76Å; M769-H771 VanDerWaalsContact C-N 3.35Å; M769-H771 PolarHBondContact O-N 3.4Å; M769-L772 WeakPolarHBondContact O-CB 3.48Å; M769-L772 PolarHBondContact O-N 2.79Å; M769-G773 PolarHBondContact O-N 3.42Å; M769-A774 PolarHBondContact O-N 2.81Å; M769-A774 VanDerWaalsContact O-N 3.16Å; M769-H775 VanDerWaalsContact CE-O 3.29Å; M769-H775 WeakPolarHBondContact CE-O 3.43Å; M769-V776 HydrophobicContact CB-CG1 3.71Å
770	A	95.5	Very high	93	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.8	-42.2	176	0	0	0	0	0	112.3	I442 P719 F721 L766 I767 I768 L772 G773 V776 F781 L783	I442-A770 WeakPolarHBondContact CG2-O 3.37Å; P719-A770 HydrophobicContact CB-CB 3.7Å; P719-A770 HydrophobicContact CG-CB 3.69Å; F721-A770 HydrophobicContact CE2-CB 4.38Å; F721-A770 HydrophobicContact CZ-CB 4.13Å; L766-A770 WeakPolarHBondContact O-CB 3.47Å; L766-A770 PolarHBondContact O-N 2.88Å; I767-A770 PolarHBondContact O-N 2.82Å; I768-A770 VanDerWaalsContact C-N 3.31Å; I768-A770 PolarHBondContact O-N 3.06Å; A770-L772 VanDerWaalsContact C-N 3.3Å; A770-L772 PolarHBondContact O-N 3.47Å; A770-G773 PolarHBondContact O-N 3.34Å; A770-V776 HydrophobicContact CB-CG1 4.4Å; A770-F781 HydrophobicContact CB-CD1 4.26Å; A770-F781 HydrophobicContact CB-CE1 3.87Å; A770-L783 HydrophobicContact CB-CD1 4.35Å; A770-L783 HydrophobicContact CB-CD2 4.26Å
771	H	95.9	Very high	92.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-73.8	-15.8	177.2	-84	-94.8	0	0	0	114	M386 P435 L436 F721 I767 I768 M769 G773 V786	M386-H771 HydrophobicContact CE-CB 4.44Å; P435-H771 HydrophobicContact CB-CB 3.67Å; L436-H771 PolarHBondContact N-O 3.26Å; L436-H771 PolarHBondContact O-ND1 3.48Å; F721-H771 AromaticContact CE1-CD2 3.9Å; F721-H771 AromaticContact CE1-CE1 3.78Å; F721-H771 AromaticContact CE1-NE2 3.49Å; F721-H771 WeakPolarHBondContact CE1-NE2 3.24Å; F721-H771 AromaticContact CZ-CD2 3.86Å; F721-H771 AromaticContact CZ-NE2 3.95Å; I767-H771 PolarHBondContact O-CD2 2.8Å; I767-H771 VanDerWaalsContact O-CD2 3.32Å; I767-H771 PolarHBondContact O-N 3.24Å; I768-H771 CarbonylContact O-C 3.51Å; I768-H771 PolarHBondContact O-N 3.06Å; I768-H771 VanDerWaalsContact O-N 3.08Å; M769-H771 VanDerWaalsContact C-N 3.35Å; M769-H771 PolarHBondContact O-N 3.4Å; H771-G773 VanDerWaalsContact C-N 3.29Å; H771-V786 PolarHBondContact CE1-N 2.94Å; H771-V786 PolarHBondContact CE1-O 2.97Å; H771-V786 VanDerWaalsContact CE1-O 3.27Å; H771-V786 PolarHBondContact NE2-N 2.79Å
772	L	96.8	Very high	92.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-74.6	-21.5	169	-67.6	172.4	0	0	0	112.7	L415 W431 L432 P435 R445 F705 I768 M769 A770 A774	L415-L772 HydrophobicContact CD1-CD1 4.01Å; W431-L772 VanDerWaalsContact C-CD2 3.46Å; W431-L772 HydrophobicContact CB-CD2 3.97Å; W431-L772 WeakPolarHBondContact O-CD2 3.42Å; L432-L772 HydrophobicContact CD2-CD1 3.67Å; L432-L772 HydrophobicContact CG-CD1 4.36Å; P435-L772 HydrophobicContact CB-CD2 4.27Å; P435-L772 HydrophobicContact CG-CD2 4.35Å; R445-L772 WeakPolarHBondContact CD-O 3.5Å; R445-L772 PolarHBondContact NH1-O 3.4Å; F705-L772 HydrophobicContact CE2-CB 4.16Å; F705-L772 HydrophobicContact CZ-CB 4.05Å; F705-L772 HydrophobicContact CZ-CD1 4.25Å; I768-L772 HydrophobicContact CG2-CD1 4.29Å; I768-L772 HydrophobicContact CG2-CG 4.46Å; I768-L772 WeakPolarHBondContact O-CG 3.49Å; I768-L772 PolarHBondContact O-N 2.98Å; M769-L772 WeakPolarHBondContact O-CB 3.48Å; M769-L772 PolarHBondContact O-N 2.79Å; A770-L772 VanDerWaalsContact C-N 3.3Å; A770-L772 PolarHBondContact O-N 3.47Å; L772-A774 HydrophobicContact CB-CB 4.48Å
773	G	95.9	Very high	92.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	16.4	-167.2	0	0	0	0	0	113.5	Q446 M769 A770 H771	Q446-G773 WeakPolarHBondContact CG-O 3.43Å; M769-G773 PolarHBondContact O-N 3.42Å; A770-G773 PolarHBondContact O-N 3.34Å; H771-G773 VanDerWaalsContact C-N 3.29Å
774	A	95.9	Very high	92.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.			trans	-87.1	159.3	175.7	0	0	0	0	0	111.5	F705 P719 M769 L772	F705-A774 HydrophobicContact CB-CB 4.38Å; F705-A774 HydrophobicContact CD1-CB 4.19Å; F705-A774 HydrophobicContact CD2-CB 4.07Å; F705-A774 HydrophobicContact CE1-CB 4.5Å; F705-A774 HydrophobicContact CE2-CB 4.38Å; F705-A774 HydrophobicContact CG-CB 3.97Å; P719-A774 WeakPolarHBondContact CD-O 3.18Å; P719-A774 WeakPolarHBondContact CG-O 3.34Å; M769-A774 PolarHBondContact O-N 2.81Å; M769-A774 VanDerWaalsContact O-N 3.16Å; L772-A774 HydrophobicContact CB-CB 4.48Å
775	H	95.1	Very high	92.4	Very high	15 Å²	15	16.3 Å²	16.3	7%	0.069	9%	0.092	C	C	.	.			trans	-72.1	152.4	167.3	-76.6	68.6	0	0	0	110.5	D450 A709 I716 M769	D450-H775 IonicContact OD1-CE1 2.9Å; D450-H775 PolarHBondContact OD1-CE1 3.02Å; D450-H775 IonicContact OD1-NE2 2.65Å; D450-H775 PolarHBondContact OD1-NE2 3.09Å; A709-H775 HydrophobicContact CB-CB 3.99Å; I716-H775 HydrophobicContact CD1-CB 3.36Å; I716-H775 HydrophobicContact CG1-CB 3.76Å; M769-H775 VanDerWaalsContact CE-O 3.29Å; M769-H775 WeakPolarHBondContact CE-O 3.43Å
776	V	94.1	Very high	92.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-120.5	140.1	-175.9	-63.9	0	0	0	0	111.5	I716 C717 P719 L766 M769 A770 A778 F781	I716-V776 WeakPolarHBondContact CA-O 3.42Å; I716-V776 VanDerWaalsContact CG1-C 3.43Å; I716-V776 WeakPolarHBondContact CG1-O 3.48Å; C717-V776 PolarHBondContact N-O 2.95Å; C717-V776 PolarHBondContact O-N 3.34Å; P719-V776 HydrophobicContact CB-CG2 4.15Å; P719-V776 HydrophobicContact CG-CG1 4.13Å; P719-V776 HydrophobicContact CG-CG2 4.31Å; L766-V776 HydrophobicContact CD2-CB 4.01Å; L766-V776 HydrophobicContact CD2-CG1 4.5Å; M769-V776 HydrophobicContact CB-CG1 3.71Å; A770-V776 HydrophobicContact CB-CG1 4.4Å; V776-A778 HydrophobicContact CG2-CB 4.47Å; V776-A778 PolarHBondContact O-N 3.28Å; V776-F781 HydrophobicContact CG2-CB 3.55Å; V776-F781 HydrophobicContact CG2-CD1 4.24Å; V776-F781 HydrophobicContact CG2-CD2 4.34Å; V776-F781 HydrophobicContact CG2-CG 3.82Å
777	P	92	Very high	92.3	Very high	17 Å²	17	16 Å²	16	11%	0.11	9%	0.09	C	C	.	.	S	Bend	trans	-73.5	76.3	-179.3	30	-36.1	0	0	0	111.5	L10 T715 L766	L10-P777 HydrophobicContact CD1-CG 3.67Å; L10-P777 HydrophobicContact CG-CG 4.48Å; T715-P777 CarbonylContact O-C 3.28Å; T715-P777 VanDerWaalsContact O-C 3.32Å; T715-P777 WeakPolarHBondContact O-CA 3.5Å; L766-P777 HydrophobicContact CD2-CG 3.81Å
778	A	88.8	Confident	92.2	Very high	22 Å²	22	16.2 Å²	16.2	18%	0.182	9%	0.09	C	C	.	.	S	Bend	trans	-150.6	157.9	177.1	0	0	0	0	0	110	T715 I716 C717 V776	T715-A778 PolarHBondContact O-N 3.37Å; T715-A778 VanDerWaalsContact O-N 3.08Å; I716-A778 CarbonylContact C-O 3.57Å; C717-A778 VanDerWaalsContact CB-O 3.23Å; C717-A778 WeakPolarHBondContact CB-O 3.27Å; C717-A778 PolarHBondContact N-O 3.03Å; C717-A778 PolarHBondContact SG-O 3.42Å; V776-A778 HydrophobicContact CG2-CB 4.47Å; V776-A778 PolarHBondContact O-N 3.28Å
779	E	88.4	Confident	92.1	Very high	119 Å²	119	16.2 Å²	16.2	56%	0.556	9%	0.09	S	C	*	.	S	Bend	trans	-67.6	-37.6	170.9	-68	170.9	-178.9	0	0	112	T715 K738	T715-E779 HydrophobicContact CG2-CB 4.48Å; T715-E779 HydrophobicContact CG2-CG 4.06Å; K738-E779 IonicContact NZ-OE2 3.8Å; K738-E779 PolarHBondContact NZ-OE2 3.37Å
780	S	88.3	Confident	92	Very high	55 Å²	55	16.2 Å²	16.2	39%	0.385	9%	0.09	S	C	.	.			trans	-154.5	140.1	178.8	63.9	0	0	0	0	109.5
781	F	88.9	Confident	91.9	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.018	9%	0.092	C	C	.	.			trans	-142.3	107.2	178.2	-164.7	-94.1	0	0	0	110.4	P719 V720 V736 L766 I767 A770 V776 L783	P719-F781 WeakPolarHBondContact CA-O 3.4Å; P719-F781 HydrophobicContact CB-CB 4.27Å; P719-F781 HydrophobicContact CB-CD1 3.7Å; P719-F781 HydrophobicContact CB-CG 4.42Å; V720-F781 PolarHBondContact N-O 3.46Å; V736-F781 HydrophobicContact CB-CE2 4.24Å; V736-F781 HydrophobicContact CG1-CD2 3.98Å; V736-F781 HydrophobicContact CG1-CE2 3.42Å; V736-F781 VanDerWaalsContact CG1-CE2 3.42Å; V736-F781 HydrophobicContact CG1-CZ 4.2Å; V736-F781 HydrophobicContact CG2-CD2 4.1Å; V736-F781 HydrophobicContact CG2-CE2 3.83Å; V736-F781 HydrophobicContact CG2-CZ 4.09Å; L766-F781 HydrophobicContact CB-CD2 4.46Å; L766-F781 HydrophobicContact CB-CE2 3.59Å; L766-F781 HydrophobicContact CB-CZ 3.73Å; L766-F781 HydrophobicContact CD1-CD2 4.48Å; L766-F781 HydrophobicContact CD1-CE2 4Å; L766-F781 HydrophobicContact CG-CE2 4.41Å; I767-F781 HydrophobicContact CG1-CZ 4.18Å; A770-F781 HydrophobicContact CB-CD1 4.26Å; A770-F781 HydrophobicContact CB-CE1 3.87Å; V776-F781 HydrophobicContact CG2-CB 3.55Å; V776-F781 HydrophobicContact CG2-CD1 4.24Å; V776-F781 HydrophobicContact CG2-CD2 4.34Å; V776-F781 HydrophobicContact CG2-CG 3.82Å; F781-L783 HydrophobicContact CD1-CD2 3.92Å; F781-L783 HydrophobicContact CE1-CB 4.4Å; F781-L783 HydrophobicContact CE1-CD1 3.95Å; F781-L783 HydrophobicContact CE1-CD2 3.84Å; F781-L783 HydrophobicContact CE1-CG 4.28Å
782	I	88.5	Confident	91.7	Very high	41 Å²	41	17.1 Å²	17.1	21%	0.21	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.2	-179.8	-50.6	-177.7	0	0	0	107.8	V720 A722 T732 L735 V736	V720-I782 HydrophobicContact CB-CG1 4.46Å; V720-I782 WeakPolarHBondContact O-CA 3.37Å; A722-I782 HydrophobicContact CB-CG2 4.23Å; T732-I782 HydrophobicContact CG2-CB 4.43Å; T732-I782 HydrophobicContact CG2-CG2 3.74Å; L735-I782 HydrophobicContact CB-CB 4.33Å; L735-I782 HydrophobicContact CD1-CD1 4.48Å; L735-I782 HydrophobicContact CD2-CD1 4.25Å; V736-I782 WeakPolarHBondContact CG2-O 3.45Å
783	L	88.1	Confident	91	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.031	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.5	179.2	75.1	169.5	0	0	0	111.4	V720 F721 A722 I767 A770 F781	V720-L783 PolarHBondContact O-N 3.33Å; F721-L783 CarbonylContact C-O 3.59Å; F721-L783 VanDerWaalsContact CA-O 3.26Å; F721-L783 WeakPolarHBondContact CA-O 3.29Å; F721-L783 HydrophobicContact CD1-CD2 3.95Å; F721-L783 HydrophobicContact CD1-CG 3.96Å; F721-L783 HydrophobicContact CD2-CD2 4.26Å; F721-L783 HydrophobicContact CE1-CD1 3.84Å; F721-L783 HydrophobicContact CE1-CD2 3.78Å; F721-L783 HydrophobicContact CE1-CG 3.72Å; F721-L783 HydrophobicContact CE2-CD2 4.08Å; F721-L783 HydrophobicContact CG-CD2 4.2Å; F721-L783 HydrophobicContact CZ-CD1 4.18Å; F721-L783 HydrophobicContact CZ-CD2 3.86Å; F721-L783 HydrophobicContact CZ-CG 4.23Å; A722-L783 PolarHBondContact N-O 3.49Å; I767-L783 HydrophobicContact CG1-CD1 4.45Å; I767-L783 HydrophobicContact CG2-CD1 4.41Å; A770-L783 HydrophobicContact CB-CD1 4.35Å; A770-L783 HydrophobicContact CB-CD2 4.26Å; F781-L783 HydrophobicContact CD1-CD2 3.92Å; F781-L783 HydrophobicContact CE1-CB 4.4Å; F781-L783 HydrophobicContact CE1-CD1 3.95Å; F781-L783 HydrophobicContact CE1-CD2 3.84Å; F781-L783 HydrophobicContact CE1-CG 4.28Å
784	T	86.4	Confident	89.7	Confident	7 Å²	7	19.1 Å²	19.1	4%	0.043	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-90.2	155.6	160.1	42.3	0	0	0	0	109.4	A722 S724 R725 T732 V786 R858	A722-T784 HydrophobicContact CB-CG2 4.22Å; S724-T784 VanDerWaalsContact O-CG2 3.32Å; S724-T784 WeakPolarHBondContact O-CG2 3.2Å; R725-T784 HydrophobicContact CG-CG2 4.25Å; T732-T784 HydrophobicContact CG2-CG2 4.4Å; T784-V786 PolarHBondContact O-N 3.39Å; T784-R858 PolarHBondContact O-NH1 3.24Å; T784-R858 PolarHBondContact OG1-NH1 3.22Å
785	P	89.1	Confident	87.7	Confident	18 Å²	18	22.2 Å²	22.2	12%	0.117	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-54.9	133.8	-179.5	-23.5	31.3	0	0	0	112.4	Y437 I439 F721 R858	Y437-P785 HydrophobicContact CD2-CB 4.2Å; Y437-P785 HydrophobicContact CE2-CB 3.62Å; I439-P785 HydrophobicContact CD1-CG 3.41Å; I439-P785 VanDerWaalsContact CD1-CG 3.41Å; I439-P785 HydrophobicContact CG1-CG 3.7Å; F721-P785 HydrophobicContact CD1-CB 4.41Å; F721-P785 HydrophobicContact CD1-CG 4.07Å; P785-R858 PolarHBondContact O-NH2 3.04Å
786	V	91.9	Very high	85.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-99	122.9	174.3	179.2	0	0	0	0	109.3	M386 Y437 I767 H771 T784 R788 M789 N823 F825	M386-V786 HydrophobicContact CG-CG1 4.47Å; M386-V786 WeakPolarHBondContact CG-O 3.19Å; M386-V786 HydrophobicContact SD-CB 3.92Å; M386-V786 HydrophobicContact SD-CG1 3.86Å; Y437-V786 VanDerWaalsContact CD2-O 3.24Å; Y437-V786 WeakPolarHBondContact CD2-O 3.25Å; I767-V786 HydrophobicContact CG2-CB 4.11Å; I767-V786 HydrophobicContact CG2-CG2 3.82Å; H771-V786 PolarHBondContact CE1-N 2.94Å; H771-V786 PolarHBondContact CE1-O 2.97Å; H771-V786 VanDerWaalsContact CE1-O 3.27Å; H771-V786 PolarHBondContact NE2-N 2.79Å; T784-V786 PolarHBondContact O-N 3.39Å; V786-R788 WeakPolarHBondContact CG1-O 3.24Å; V786-M789 HydrophobicContact CG1-CG 4.22Å; V786-M789 HydrophobicContact CG1-SD 3.91Å; V786-N823 WeakPolarHBondContact CA-O 3.47Å; V786-F825 HydrophobicContact CG1-CB 3.79Å; V786-F825 HydrophobicContact CG2-CB 4.19Å
787	D	91.4	Very high	83.4	Confident	21 Å²	21	36.5 Å²	36.5	11%	0.112	20%	0.198	C	C	.	.	S	Bend	trans	-88.4	-29	-176.8	70.8	-30.4	0	0	0	113	K383 I387 Y437 S821 N823 S824	K383-D787 WeakPolarHBondContact CE-O 3.19Å; K383-D787 PolarHBondContact NZ-O 2.84Å; I387-D787 PolarHBondContact N-O 2.99Å; Y437-D787 HydrophobicContact CD2-CB 4.19Å; Y437-D787 HydrophobicContact CE2-CB 3.62Å; D787-S821 PolarHBondContact OD1-OG 3.05Å; D787-S821 WeakPolarHBondContact OD2-CB 3.4Å; D787-S821 PolarHBondContact OD2-OG 3.37Å; D787-N823 HydrophobicContact CB-CB 4.31Å; D787-N823 PolarHBondContact N-O 3.11Å; D787-S824 WeakPolarHBondContact OD1-CA 3.35Å; D787-S824 WeakPolarHBondContact OD1-CB 3.29Å; D787-S824 PolarHBondContact OD1-N 3.01Å; D787-S824 PolarHBondContact OD1-OG 3.34Å
788	R	93.7	Very high	81.4	Confident	13 Å²	13	36.3 Å²	36.3	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	139.6	175.4	-176	161	176.5	176	2	110.6	I387 D389 V786 F790 S824 F825	I387-R788 HydrophobicContact CB-CB 3.98Å; I387-R788 HydrophobicContact CB-CG 3.76Å; I387-R788 HydrophobicContact CD1-CB 4.43Å; I387-R788 HydrophobicContact CG2-CG 3.95Å; I387-R788 WeakPolarHBondContact O-CA 3.37Å; D389-R788 IonicContact OD2-NH2 3.96Å; D389-R788 PolarHBondContact OD2-NH2 3.04Å; D389-R788 VanDerWaalsContact OD2-NH2 3.17Å; V786-R788 WeakPolarHBondContact CG1-O 3.24Å; R788-F790 HydrophobicContact CB-CE2 3.85Å; R788-F790 HydrophobicContact CB-CZ 4.33Å; R788-F790 HydrophobicContact CG-CD2 4.05Å; R788-F790 HydrophobicContact CG-CE1 4.24Å; R788-F790 HydrophobicContact CG-CE2 3.48Å; R788-F790 VanDerWaalsContact CG-CE2 3.48Å; R788-F790 HydrophobicContact CG-CZ 3.62Å; R788-F790 VanDerWaalsContact NE-CE1 3.29Å; R788-F790 VanDerWaalsContact NE-CZ 3.28Å; R788-S824 WeakPolarHBondContact O-CA 3.4Å; R788-S824 WeakPolarHBondContact O-CB 3.39Å; R788-F825 PolarHBondContact O-N 3.16Å
789	M	94.2	Very high	79.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	137	171.6	-68.2	-75.2	-64.1	0	0	109.4	M386 I387 M388 T392 L396 I767 V786 F825	M386-M789 HydrophobicContact CE-CG 3.72Å; M386-M789 HydrophobicContact CG-CG 4.41Å; M386-M789 HydrophobicContact SD-CG 3.62Å; M386-M789 HydrophobicContact SD-SD 4.38Å; I387-M789 PolarHBondContact O-N 2.94Å; M388-M789 HydrophobicContact CG-CB 4.2Å; M388-M789 HydrophobicContact CG-CG 4.38Å; T392-M789 HydrophobicContact CG2-CB 3.72Å; T392-M789 PolarHBondContact OG1-O 3.19Å; L396-M789 HydrophobicContact CD1-CE 3.92Å; I767-M789 HydrophobicContact CB-SD 4.34Å; I767-M789 HydrophobicContact CD1-SD 4.27Å; I767-M789 HydrophobicContact CG2-SD 3.79Å; V786-M789 HydrophobicContact CG1-CG 4.22Å; V786-M789 HydrophobicContact CG1-SD 3.91Å; M789-F825 CarbonylContact C-O 3.58Å; M789-F825 WeakPolarHBondContact CA-O 3.23Å; M789-F825 HydrophobicContact CE-CD1 3.41Å; M789-F825 VanDerWaalsContact CE-CD1 3.41Å; M789-F825 HydrophobicContact CE-CE1 3.82Å; M789-F825 HydrophobicContact CE-CG 4.44Å; M789-F825 HydrophobicContact SD-CB 3.74Å; M789-F825 HydrophobicContact SD-CD1 3.47Å; M789-F825 WeakPolarHBondContact SD-CD1 3.38Å; M789-F825 HydrophobicContact SD-CE1 4.39Å; M789-F825 HydrophobicContact SD-CG 3.97Å
790	F	93.9	Very high	77.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.4	175.3	-68.7	-84.6	0	0	0	109.6	R788 I816 H819 C820 F825 A826 I827	R788-F790 HydrophobicContact CB-CE2 3.85Å; R788-F790 HydrophobicContact CB-CZ 4.33Å; R788-F790 HydrophobicContact CG-CD2 4.05Å; R788-F790 HydrophobicContact CG-CE1 4.24Å; R788-F790 HydrophobicContact CG-CE2 3.48Å; R788-F790 VanDerWaalsContact CG-CE2 3.48Å; R788-F790 HydrophobicContact CG-CZ 3.62Å; R788-F790 VanDerWaalsContact NE-CE1 3.29Å; R788-F790 VanDerWaalsContact NE-CZ 3.28Å; F790-I816 HydrophobicContact CB-CD1 4.13Å; F790-I816 HydrophobicContact CB-CG1 3.9Å; F790-I816 HydrophobicContact CB-CG2 4.1Å; F790-I816 HydrophobicContact CD1-CB 4.24Å; F790-I816 HydrophobicContact CD1-CG1 3.93Å; F790-I816 HydrophobicContact CD1-CG2 4.4Å; F790-I816 HydrophobicContact CG-CB 4.45Å; F790-I816 HydrophobicContact CG-CG1 4.18Å; F790-I816 HydrophobicContact CG-CG2 4.13Å; F790-H819 HydrophobicContact CE1-CB 4.04Å; F790-H819 HydrophobicContact CZ-CB 3.76Å; F790-C820 HydrophobicContact CD2-CB 4.24Å; F790-C820 HydrophobicContact CE2-CB 3.81Å; F790-C820 HydrophobicContact CZ-CB 4.19Å; F790-F825 PolarHBondContact N-O 2.89Å; F790-A826 HydrophobicContact CB-CB 4.15Å; F790-A826 CarbonylContact O-C 3.52Å; F790-A826 WeakPolarHBondContact O-CA 3.35Å; F790-I827 PolarHBondContact O-N 3.38Å
791	T	92.8	Very high	75.8	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.2	176.5	68.1	0	0	0	0	111.6	T392 N395 L396 I827	T392-T791 VanDerWaalsContact CA-OG1 3.3Å; T392-T791 WeakPolarHBondContact CA-OG1 3.1Å; T392-T791 HydrophobicContact CG2-CG2 3.91Å; N395-T791 WeakPolarHBondContact CB-OG1 3.23Å; N395-T791 PolarHBondContact ND2-OG1 2.88Å; L396-T791 HydrophobicContact CD1-CG2 4.09Å; L396-T791 HydrophobicContact CD2-CG2 4.21Å; L396-T791 HydrophobicContact CG-CG2 4Å; T791-I827 CarbonylContact C-O 3.32Å; T791-I827 WeakPolarHBondContact CA-O 3.31Å; T791-I827 HydrophobicContact CG2-CB 4.37Å; T791-I827 HydrophobicContact CG2-CD1 4.17Å
792	R	90.6	Very high	74.2	Confident	14 Å²	14	47.8 Å²	47.8	5%	0.053	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	86.3	166.9	170	64.7	-159.6	105.2	16.6	106	G794 E809 E812 I816 I827 V828 D829	R792-G794 PolarHBondContact NH1-O 3.36Å; R792-G794 PolarHBondContact NH2-O 2.8Å; R792-E809 IonicContact NH2-OE1 2.6Å; R792-E812 WeakPolarHBondContact CD-OE2 3.38Å; R792-E812 IonicContact CZ-OE2 3.37Å; R792-E812 IonicContact NE-OE2 3.58Å; R792-E812 PolarHBondContact NE-OE2 3.48Å; R792-E812 IonicContact NH1-OE2 3.16Å; R792-E812 PolarHBondContact NH1-OE2 2.8Å; R792-I816 HydrophobicContact CB-CD1 4.16Å; R792-I827 PolarHBondContact N-O 3.19Å; R792-V828 HydrophobicContact CG-CG1 4.46Å; R792-D829 WeakPolarHBondContact O-CB 3.39Å; R792-D829 PolarHBondContact O-N 3.3Å
793	I	83	Confident	73.1	Confident	9 Å²	9	49.8 Å²	49.8	5%	0.046	27%	0.273	C	S	.	.			trans	-122.5	124.2	-178.1	-54.4	177.4	0	0	0	109.4	N395 L396 R761 I827	N395-I793 HydrophobicContact CB-CB 4.19Å; N395-I793 HydrophobicContact CB-CD1 4.33Å; N395-I793 HydrophobicContact CB-CG1 4.47Å; N395-I793 PolarHBondContact ND2-N 2.79Å; L396-I793 HydrophobicContact CD2-CD1 4.21Å; R761-I793 HydrophobicContact CG-CD1 3.92Å; I793-I827 HydrophobicContact CD1-CB 4.48Å; I793-I827 HydrophobicContact CD1-CD1 4.23Å; I793-I827 HydrophobicContact CD1-CG2 3.82Å; I793-I827 HydrophobicContact CG1-CG2 3.73Å
794	G	68.7	Low	72.3	Confident	32 Å²	32	52.8 Å²	52.8	33%	0.33	30%	0.295	S	S	.	.			trans	95.3	169.5	168.5	0	0	0	0	0	116	R792	R792-G794 PolarHBondContact NH1-O 3.36Å; R792-G794 PolarHBondContact NH2-O 2.8Å
795	A	53.9	Low	71.7	Confident	65 Å²	65	54.6 Å²	54.6	54%	0.537	31%	0.305	S	S	.	.			trans	-124.3	99.7	175.9	0	0	0	0	0	107.9
796	R	53.8	Low	71.4	Confident	225 Å²	225	55.8 Å²	55.8	85%	0.849	31%	0.311	S	S	*	.			trans	-123.8	118.9	169.6	-76.2	-170	177	-173.8	1.1	108.4
797	D	45.6	Very low	71	Confident	91 Å²	91	61.2 Å²	61.2	49%	0.487	33%	0.332	S	S	.	.			trans	-68.1	135.4	171.7	-69.2	-21.3	0	0	0	109.7	F799 T805	D797-F799 VanDerWaalsContact C-N 3.32Å; D797-F799 HydrophobicContact CB-CD2 4.35Å; D797-F799 PolarHBondContact O-N 2.94Å; D797-T805 WeakPolarHBondContact OD1-CB 3.41Å; D797-T805 WeakPolarHBondContact OD1-CG2 3.13Å; D797-T805 PolarHBondContact OD1-OG1 2.87Å
798	S	49.6	Very low	70.4	Confident	12 Å²	12	62.1 Å²	62.1	8%	0.084	34%	0.337	C	S	.	.			trans	-92.7	73.8	163.2	-170.3	0	0	0	0	109	Q269 L800 T801	Q269-S798 VanDerWaalsContact CD-OG 3.27Å; Q269-S798 PolarHBondContact NE2-OG 2.92Å; S798-L800 PolarHBondContact O-N 3.14Å; S798-T801 VanDerWaalsContact CB-OG1 3.31Å; S798-T801 WeakPolarHBondContact CB-OG1 3.29Å; S798-T801 PolarHBondContact O-N 3.36Å; S798-T801 PolarHBondContact O-OG1 3.36Å; S798-T801 VanDerWaalsContact O-OG1 3.09Å; S798-T801 PolarHBondContact OG-OG1 2.98Å; S798-T801 VanDerWaalsContact OG-OG1 3.07Å
799	F	49.1	Very low	70	Confident	187 Å²	187	61.6 Å²	61.6	82%	0.82	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-29.2	179.4	-127.3	-86.8	0	0	0	112.6	D797	D797-F799 VanDerWaalsContact C-N 3.32Å; D797-F799 HydrophobicContact CB-CD2 4.35Å; D797-F799 PolarHBondContact O-N 2.94Å
800	L	45.4	Very low	69.6	Low	141 Å²	141	64.7 Å²	64.7	74%	0.738	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.8	-178.2	-73.2	164.8	0	0	0	114.6	S798	S798-L800 PolarHBondContact O-N 3.14Å
801	T	52.2	Low	69.1	Low	41 Å²	41	66.1 Å²	66.1	25%	0.252	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-7	-177.2	57.7	0	0	0	0	113.2	Q269 S798 Q803	Q269-T801 HydrophobicContact CB-CG2 4.5Å; S798-T801 VanDerWaalsContact CB-OG1 3.31Å; S798-T801 WeakPolarHBondContact CB-OG1 3.29Å; S798-T801 PolarHBondContact O-N 3.36Å; S798-T801 PolarHBondContact O-OG1 3.36Å; S798-T801 VanDerWaalsContact O-OG1 3.09Å; S798-T801 PolarHBondContact OG-OG1 2.98Å; S798-T801 VanDerWaalsContact OG-OG1 3.07Å; T801-Q803 PolarHBondContact O-N 3.41Å
802	G	56.3	Low	68.8	Low	73 Å²	73	67.1 Å²	67.1	75%	0.753	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	11.8	-174.5	0	0	0	0	0	113.6
803	Q	64.7	Low	68.8	Low	82 Å²	82	66.7 Å²	66.7	38%	0.383	36%	0.364	S	S	.	.			trans	-83.1	129.5	176.9	-68.1	-174.7	-14.8	0	0	109.7	T801 Y807 L808	T801-Q803 PolarHBondContact O-N 3.41Å; Q803-Y807 HydrophobicContact CB-CD1 4.18Å; Q803-Y807 HydrophobicContact CG-CD1 4.21Å; Q803-Y807 HydrophobicContact CG-CE1 4.42Å; Q803-L808 HydrophobicContact CB-CD1 4.16Å; Q803-L808 HydrophobicContact CB-CG 4.34Å
804	S	71.9	Confident	69.1	Low	70 Å²	70	68 Å²	68	49%	0.49	37%	0.374	S	S	.	.			trans	-67.1	149.5	178.4	75.3	0	0	0	0	110.8	L806 Y807 L808	S804-L806 PolarHBondContact O-N 3.19Å; S804-Y807 PolarHBondContact O-N 3.16Å; S804-Y807 WeakPolarHBondContact OG-CB 3.4Å; S804-Y807 PolarHBondContact OG-N 3.46Å; S804-Y807 VanDerWaalsContact OG-N 3.16Å; S804-L808 PolarHBondContact O-N 3.18Å
805	T	74.9	Confident	69.9	Low	44 Å²	44	67.3 Å²	67.3	27%	0.27	36%	0.364	S	S	.	.	H	α-helix	trans	-51.8	-41.1	176.2	-31.3	0	0	0	0	111.4	D797 E809	D797-T805 WeakPolarHBondContact OD1-CB 3.41Å; D797-T805 WeakPolarHBondContact OD1-CG2 3.13Å; D797-T805 PolarHBondContact OD1-OG1 2.87Å; T805-E809 VanDerWaalsContact O-CB 3.31Å; T805-E809 WeakPolarHBondContact O-CB 3.39Å; T805-E809 PolarHBondContact O-N 3.04Å
806	L	82.5	Confident	71.7	Confident	43 Å²	43	64.5 Å²	64.5	23%	0.225	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-42.4	178.6	-176.8	64.2	0	0	0	112.2	S804 L808 E809 L810 T835	S804-L806 PolarHBondContact O-N 3.19Å; L806-L808 PolarHBondContact O-N 3.35Å; L806-E809 PolarHBondContact O-N 3.36Å; L806-L810 HydrophobicContact CD1-CD1 4.04Å; L806-L810 HydrophobicContact CD1-CG 4.05Å; L806-L810 HydrophobicContact CG-CD1 3.93Å; L806-L810 HydrophobicContact CG-CG 4.29Å; L806-L810 WeakPolarHBondContact O-CB 3.46Å; L806-L810 VanDerWaalsContact O-CG 3.28Å; L806-L810 WeakPolarHBondContact O-CG 3.21Å; L806-L810 PolarHBondContact O-N 3.33Å; L806-T835 HydrophobicContact CD1-CG2 4.08Å
807	Y	82.3	Confident	73.5	Confident	115 Å²	115	56 Å²	56	45%	0.451	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-46.5	179.3	174.6	-95.3	0	0	0	111.4	Q803 S804 L810 S811	Q803-Y807 HydrophobicContact CB-CD1 4.18Å; Q803-Y807 HydrophobicContact CG-CD1 4.21Å; Q803-Y807 HydrophobicContact CG-CE1 4.42Å; S804-Y807 PolarHBondContact O-N 3.16Å; S804-Y807 WeakPolarHBondContact OG-CB 3.4Å; S804-Y807 PolarHBondContact OG-N 3.46Å; S804-Y807 VanDerWaalsContact OG-N 3.16Å; Y807-L810 PolarHBondContact O-N 2.93Å; Y807-S811 VanDerWaalsContact O-CB 3.3Å; Y807-S811 WeakPolarHBondContact O-CB 3.42Å; Y807-S811 PolarHBondContact O-N 3.44Å
808	L	78.6	Confident	75.5	Confident	40 Å²	40	60.4 Å²	60.4	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-48	176.2	-83	154.6	0	0	0	111.2	Q803 S804 L806 L810 S811 E812	Q803-L808 HydrophobicContact CB-CD1 4.16Å; Q803-L808 HydrophobicContact CB-CG 4.34Å; S804-L808 PolarHBondContact O-N 3.18Å; L806-L808 PolarHBondContact O-N 3.35Å; L808-L810 VanDerWaalsContact C-N 3.35Å; L808-L810 PolarHBondContact O-N 3.45Å; L808-S811 PolarHBondContact O-N 2.97Å; L808-E812 WeakPolarHBondContact O-CG 3.31Å; L808-E812 PolarHBondContact O-N 3.49Å
809	E	85.2	Confident	77.3	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-45.1	177.9	167.9	167.4	-139.4	0	0	112.7	R792 T805 L806 T813 L831 G832 R833 G834	R792-E809 IonicContact NH2-OE1 2.6Å; T805-E809 VanDerWaalsContact O-CB 3.31Å; T805-E809 WeakPolarHBondContact O-CB 3.39Å; T805-E809 PolarHBondContact O-N 3.04Å; L806-E809 PolarHBondContact O-N 3.36Å; E809-T813 WeakPolarHBondContact O-CB 3.3Å; E809-T813 PolarHBondContact O-N 2.84Å; E809-T813 PolarHBondContact O-OG1 2.95Å; E809-L831 HydrophobicContact CG-CD1 3.63Å; E809-L831 VanDerWaalsContact OE1-CA 3.25Å; E809-L831 WeakPolarHBondContact OE1-CA 3.31Å; E809-G832 PolarHBondContact OE1-N 3.04Å; E809-R833 PolarHBondContact OE2-N 3.2Å; E809-G834 PolarHBondContact OE2-N 2.83Å
810	L	87.2	Confident	79.3	Confident	64 Å²	64	55.3 Å²	55.3	34%	0.335	30%	0.299	S	S	.	.	H	α-helix	trans	-72.6	-34.3	178.3	-66.7	179.6	0	0	0	112.4	L806 Y807 L808 T813 S814 I843	L806-L810 HydrophobicContact CD1-CD1 4.04Å; L806-L810 HydrophobicContact CD1-CG 4.05Å; L806-L810 HydrophobicContact CG-CD1 3.93Å; L806-L810 HydrophobicContact CG-CG 4.29Å; L806-L810 WeakPolarHBondContact O-CB 3.46Å; L806-L810 VanDerWaalsContact O-CG 3.28Å; L806-L810 WeakPolarHBondContact O-CG 3.21Å; L806-L810 PolarHBondContact O-N 3.33Å; Y807-L810 PolarHBondContact O-N 2.93Å; L808-L810 VanDerWaalsContact C-N 3.35Å; L808-L810 PolarHBondContact O-N 3.45Å; L810-T813 PolarHBondContact O-N 2.75Å; L810-S814 VanDerWaalsContact O-CB 3.31Å; L810-S814 WeakPolarHBondContact O-CB 3.25Å; L810-S814 PolarHBondContact O-N 3.46Å; L810-I843 HydrophobicContact CD2-CD1 4.32Å; L810-I843 HydrophobicContact CD2-CG2 3.89Å
811	S	83.6	Confident	81.4	Confident	32 Å²	32	50.3 Å²	50.3	22%	0.224	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-48.8	175.2	-173.1	0	0	0	0	110.9	Y807 L808 T813 S814 T815	Y807-S811 VanDerWaalsContact O-CB 3.3Å; Y807-S811 WeakPolarHBondContact O-CB 3.42Å; Y807-S811 PolarHBondContact O-N 3.44Å; L808-S811 PolarHBondContact O-N 2.97Å; S811-T813 VanDerWaalsContact C-N 3.31Å; S811-T813 PolarHBondContact O-N 3.44Å; S811-S814 WeakPolarHBondContact O-CB 3.07Å; S811-S814 PolarHBondContact O-N 2.94Å; S811-S814 VanDerWaalsContact O-N 3.16Å; S811-T815 PolarHBondContact O-N 2.93Å; S811-T815 PolarHBondContact O-OG1 2.95Å
812	E	86.3	Confident	83.1	Confident	27 Å²	27	50 Å²	50	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-56.5	-48.6	175.3	-71.8	179.8	171.6	0	0	110.1	I391 R792 L808 S814 T815 I816	I391-E812 HydrophobicContact CD1-CG 3.88Å; R792-E812 WeakPolarHBondContact CD-OE2 3.38Å; R792-E812 IonicContact CZ-OE2 3.37Å; R792-E812 IonicContact NE-OE2 3.58Å; R792-E812 PolarHBondContact NE-OE2 3.48Å; R792-E812 IonicContact NH1-OE2 3.16Å; R792-E812 PolarHBondContact NH1-OE2 2.8Å; L808-E812 WeakPolarHBondContact O-CG 3.31Å; L808-E812 PolarHBondContact O-N 3.49Å; E812-S814 VanDerWaalsContact C-N 3.32Å; E812-S814 PolarHBondContact O-N 2.88Å; E812-T815 WeakPolarHBondContact O-CB 3.49Å; E812-T815 PolarHBondContact O-N 2.81Å; E812-I816 WeakPolarHBondContact O-CG1 3.28Å; E812-I816 PolarHBondContact O-N 2.75Å; E812-I816 VanDerWaalsContact O-N 3.17Å
813	T	89.9	Confident	84.7	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-39.1	177.7	-54.2	0	0	0	0	112.2	E809 L810 S811 T815 I816 L817 L831 T847	E809-T813 WeakPolarHBondContact O-CB 3.3Å; E809-T813 PolarHBondContact O-N 2.84Å; E809-T813 PolarHBondContact O-OG1 2.95Å; L810-T813 PolarHBondContact O-N 2.75Å; S811-T813 VanDerWaalsContact C-N 3.31Å; S811-T813 PolarHBondContact O-N 3.44Å; T813-T815 VanDerWaalsContact C-N 3.33Å; T813-T815 PolarHBondContact O-N 3.41Å; T813-I816 WeakPolarHBondContact O-CB 3.36Å; T813-I816 PolarHBondContact O-N 3.21Å; T813-L817 HydrophobicContact CG2-CD1 4.25Å; T813-L817 HydrophobicContact CG2-CG 4.46Å; T813-L817 WeakPolarHBondContact O-CG 3.3Å; T813-L817 PolarHBondContact O-N 2.94Å; T813-L831 HydrophobicContact CG2-CD1 4.33Å; T813-L831 HydrophobicContact CG2-CD2 3.92Å; T813-L831 VanDerWaalsContact OG1-CD1 3.27Å; T813-L831 WeakPolarHBondContact OG1-CD1 3.42Å; T813-T847 HydrophobicContact CG2-CG2 3.68Å
814	S	89.1	Confident	86	Confident	37 Å²	37	45.2 Å²	45.2	26%	0.259	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-41.1	176.9	-164.7	0	0	0	0	111.6	L810 S811 E812 I816 L817 R818	L810-S814 VanDerWaalsContact O-CB 3.31Å; L810-S814 WeakPolarHBondContact O-CB 3.25Å; L810-S814 PolarHBondContact O-N 3.46Å; S811-S814 WeakPolarHBondContact O-CB 3.07Å; S811-S814 PolarHBondContact O-N 2.94Å; S811-S814 VanDerWaalsContact O-N 3.16Å; E812-S814 VanDerWaalsContact C-N 3.32Å; E812-S814 PolarHBondContact O-N 2.88Å; S814-I816 VanDerWaalsContact C-N 3.32Å; S814-I816 PolarHBondContact O-N 2.82Å; S814-L817 PolarHBondContact O-N 3.22Å; S814-R818 WeakPolarHBondContact O-CB 3.22Å; S814-R818 WeakPolarHBondContact O-CG 3.39Å; S814-R818 PolarHBondContact O-N 2.83Å; S814-R818 PolarHBondContact OG-NE 2.91Å
815	T	86.2	Confident	87	Confident	18 Å²	18	42 Å²	42	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-42	174.8	-57.4	0	0	0	0	111.3	S811 E812 T813 R818 H819	S811-T815 PolarHBondContact O-N 2.93Å; S811-T815 PolarHBondContact O-OG1 2.95Å; E812-T815 WeakPolarHBondContact O-CB 3.49Å; E812-T815 PolarHBondContact O-N 2.81Å; T813-T815 VanDerWaalsContact C-N 3.33Å; T813-T815 PolarHBondContact O-N 3.41Å; T815-R818 PolarHBondContact O-N 2.69Å; T815-H819 PolarHBondContact O-CD2 2.9Å; T815-H819 PolarHBondContact O-N 2.92Å; T815-H819 VanDerWaalsContact O-N 3.09Å
816	I	91	Very high	87.9	Confident	5 Å²	5	40 Å²	40	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-54.1	172.8	-52.9	-176.9	0	0	0	109.6	F790 R792 E812 T813 S814 R818 H819 C820 A826 V828 L851	F790-I816 HydrophobicContact CB-CD1 4.13Å; F790-I816 HydrophobicContact CB-CG1 3.9Å; F790-I816 HydrophobicContact CB-CG2 4.1Å; F790-I816 HydrophobicContact CD1-CB 4.24Å; F790-I816 HydrophobicContact CD1-CG1 3.93Å; F790-I816 HydrophobicContact CD1-CG2 4.4Å; F790-I816 HydrophobicContact CG-CB 4.45Å; F790-I816 HydrophobicContact CG-CG1 4.18Å; F790-I816 HydrophobicContact CG-CG2 4.13Å; R792-I816 HydrophobicContact CB-CD1 4.16Å; E812-I816 WeakPolarHBondContact O-CG1 3.28Å; E812-I816 PolarHBondContact O-N 2.75Å; E812-I816 VanDerWaalsContact O-N 3.17Å; T813-I816 WeakPolarHBondContact O-CB 3.36Å; T813-I816 PolarHBondContact O-N 3.21Å; S814-I816 VanDerWaalsContact C-N 3.32Å; S814-I816 PolarHBondContact O-N 2.82Å; I816-R818 VanDerWaalsContact C-N 3.26Å; I816-R818 PolarHBondContact O-N 3.34Å; I816-H819 PolarHBondContact O-N 3.45Å; I816-C820 HydrophobicContact CG2-CB 4.22Å; I816-C820 WeakPolarHBondContact O-CB 3.31Å; I816-C820 PolarHBondContact O-N 2.82Å; I816-A826 HydrophobicContact CG2-CB 4.07Å; I816-V828 HydrophobicContact CD1-CG2 4.15Å; I816-L851 HydrophobicContact CG2-CD2 4.14Å
817	L	91.7	Very high	88.5	Confident	47 Å²	47	37.9 Å²	37.9	25%	0.246	19%	0.192	C	C	.	.	H	α-helix	trans	-63.6	-29.3	-174.9	-65.4	175.3	0	0	0	113.8	T813 S814 T847 Y850 L851 I855	T813-L817 HydrophobicContact CG2-CD1 4.25Å; T813-L817 HydrophobicContact CG2-CG 4.46Å; T813-L817 WeakPolarHBondContact O-CG 3.3Å; T813-L817 PolarHBondContact O-N 2.94Å; S814-L817 PolarHBondContact O-N 3.22Å; L817-T847 HydrophobicContact CD1-CG2 4.41Å; L817-T847 HydrophobicContact CD2-CG2 4.13Å; L817-Y850 HydrophobicContact CD2-CD1 3.63Å; L817-Y850 HydrophobicContact CD2-CE1 4.3Å; L817-Y850 HydrophobicContact CD2-CG 4.36Å; L817-L851 HydrophobicContact CD2-CD2 4.05Å; L817-L851 HydrophobicContact CD2-CG 4.08Å; L817-I855 HydrophobicContact CD2-CD1 4.46Å
818	R	88.5	Confident	89.1	Confident	183 Å²	183	32.4 Å²	32.4	69%	0.691	17%	0.17	S	C	*	.	H	α-helix	trans	-80.8	-41.4	179.7	-73.7	177.3	-172.8	172.9	4	113.5	S814 T815 I816	S814-R818 WeakPolarHBondContact O-CB 3.22Å; S814-R818 WeakPolarHBondContact O-CG 3.39Å; S814-R818 PolarHBondContact O-N 2.83Å; S814-R818 PolarHBondContact OG-NE 2.91Å; T815-R818 PolarHBondContact O-N 2.69Å; I816-R818 VanDerWaalsContact C-N 3.26Å; I816-R818 PolarHBondContact O-N 3.34Å
819	H	87.1	Confident	89.7	Confident	77 Å²	77	30.7 Å²	30.7	36%	0.356	16%	0.161	S	C	.	.	H	α-helix	trans	-106.6	-10.5	-169.1	-62.5	-72.9	0	0	0	114.1	F790 T815 I816 S821	F790-H819 HydrophobicContact CE1-CB 4.04Å; F790-H819 HydrophobicContact CZ-CB 3.76Å; T815-H819 PolarHBondContact O-CD2 2.9Å; T815-H819 PolarHBondContact O-N 2.92Å; T815-H819 VanDerWaalsContact O-N 3.09Å; I816-H819 PolarHBondContact O-N 3.45Å; H819-S821 PolarHBondContact O-N 3.42Å
820	C	89.9	Confident	89.9	Confident	15 Å²	15	31.4 Å²	31.4	10%	0.101	16%	0.164	C	C	.	.			trans	-69	126.7	-178.8	-172.3	0	0	0	0	110.9	F790 I816 S824 I855 C857	F790-C820 HydrophobicContact CD2-CB 4.24Å; F790-C820 HydrophobicContact CE2-CB 3.81Å; F790-C820 HydrophobicContact CZ-CB 4.19Å; I816-C820 HydrophobicContact CG2-CB 4.22Å; I816-C820 WeakPolarHBondContact O-CB 3.31Å; I816-C820 PolarHBondContact O-N 2.82Å; C820-S824 VanDerWaalsContact SG-CB 3.52Å; C820-I855 HydrophobicContact CB-CD1 4.24Å; C820-I855 HydrophobicContact CB-CG2 4.37Å; C820-C857 WeakPolarHBondContact SG-CB 3.44Å; C820-C857 PolarHBondContact SG-SG 2.84Å
821	S	90.4	Very high	90.1	Very high	36 Å²	36	28.4 Å²	28.4	25%	0.252	15%	0.149	S	C	.	.			trans	-96.6	169.2	172	91.6	0	0	0	0	109.9	D787 H819 N823 S824 C857	D787-S821 PolarHBondContact OD1-OG 3.05Å; D787-S821 WeakPolarHBondContact OD2-CB 3.4Å; D787-S821 PolarHBondContact OD2-OG 3.37Å; H819-S821 PolarHBondContact O-N 3.42Å; S821-N823 PolarHBondContact O-N 2.87Å; S821-N823 VanDerWaalsContact O-N 3.15Å; S821-N823 PolarHBondContact OG-N 3.1Å; S821-S824 PolarHBondContact N-OG 3.36Å; S821-S824 WeakPolarHBondContact O-CB 3.47Å; S821-S824 PolarHBondContact O-N 3.11Å; S821-S824 PolarHBondContact OG-N 2.96Å; S821-S824 PolarHBondContact OG-OG 2.9Å; S821-C857 WeakPolarHBondContact O-CB 3.49Å
822	A	88.8	Confident	90.2	Very high	35 Å²	35	26.9 Å²	26.9	29%	0.289	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.1	173.8	0	0	0	0	0	112.3	R725 I855	R725-A822 PolarHBondContact NH1-O 3.42Å; R725-A822 VanDerWaalsContact NH1-O 3.12Å; R725-A822 PolarHBondContact NH2-O 3.48Å; A822-I855 WeakPolarHBondContact CB-O 3.39Å
823	N	88.9	Confident	90	Very high	55 Å²	55	31.1 Å²	31.1	29%	0.294	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.1	177.2	-70.6	-25.9	0	0	0	112.6	R725 V786 D787 S821 R858	R725-N823 PolarHBondContact NH2-OD1 3.11Å; V786-N823 WeakPolarHBondContact CA-O 3.47Å; D787-N823 HydrophobicContact CB-CB 4.31Å; D787-N823 PolarHBondContact N-O 3.11Å; S821-N823 PolarHBondContact O-N 2.87Å; S821-N823 VanDerWaalsContact O-N 3.15Å; S821-N823 PolarHBondContact OG-N 3.1Å; N823-R858 PolarHBondContact O-NH2 2.92Å
824	S	91.9	Very high	89.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.			trans	-78.1	163.4	179.7	-57.2	0	0	0	0	111.6	D787 R788 C820 S821 R858	D787-S824 WeakPolarHBondContact OD1-CA 3.35Å; D787-S824 WeakPolarHBondContact OD1-CB 3.29Å; D787-S824 PolarHBondContact OD1-N 3.01Å; D787-S824 PolarHBondContact OD1-OG 3.34Å; R788-S824 WeakPolarHBondContact O-CA 3.4Å; R788-S824 WeakPolarHBondContact O-CB 3.39Å; C820-S824 VanDerWaalsContact SG-CB 3.52Å; S821-S824 PolarHBondContact N-OG 3.36Å; S821-S824 WeakPolarHBondContact O-CB 3.47Å; S821-S824 PolarHBondContact O-N 3.11Å; S821-S824 PolarHBondContact OG-N 2.96Å; S821-S824 PolarHBondContact OG-OG 2.9Å; S824-R858 PolarHBondContact O-N 3Å
825	F	93.4	Very high	89.6	Confident	3 Å²	3	32.9 Å²	32.9	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	172.7	177.5	-93.8	0	0	0	109.5	F733 V763 I767 V786 R788 M789 F790 I827 R858 I860	F733-F825 HydrophobicContact CE2-CD2 4.25Å; F733-F825 AromaticContact CE2-CE2 3.84Å; F733-F825 HydrophobicContact CE2-CE2 3.84Å; V763-F825 HydrophobicContact CB-CZ 4.35Å; V763-F825 HydrophobicContact CG1-CE1 4.5Å; V763-F825 HydrophobicContact CG1-CE2 3.97Å; V763-F825 HydrophobicContact CG1-CZ 3.58Å; I767-F825 HydrophobicContact CD1-CB 4.37Å; I767-F825 HydrophobicContact CD1-CD1 3.79Å; I767-F825 HydrophobicContact CD1-CD2 3.65Å; I767-F825 HydrophobicContact CD1-CE1 3.84Å; I767-F825 HydrophobicContact CD1-CE2 3.72Å; I767-F825 HydrophobicContact CD1-CG 3.68Å; I767-F825 HydrophobicContact CD1-CZ 3.83Å; V786-F825 HydrophobicContact CG1-CB 3.79Å; V786-F825 HydrophobicContact CG2-CB 4.19Å; R788-F825 PolarHBondContact O-N 3.16Å; M789-F825 CarbonylContact C-O 3.58Å; M789-F825 WeakPolarHBondContact CA-O 3.23Å; M789-F825 HydrophobicContact CE-CD1 3.41Å; M789-F825 VanDerWaalsContact CE-CD1 3.41Å; M789-F825 HydrophobicContact CE-CE1 3.82Å; M789-F825 HydrophobicContact CE-CG 4.44Å; M789-F825 HydrophobicContact SD-CB 3.74Å; M789-F825 HydrophobicContact SD-CD1 3.47Å; M789-F825 WeakPolarHBondContact SD-CD1 3.38Å; M789-F825 HydrophobicContact SD-CE1 4.39Å; M789-F825 HydrophobicContact SD-CG 3.97Å; F790-F825 PolarHBondContact N-O 2.89Å; F825-I827 HydrophobicContact CD1-CG1 4.29Å; F825-I827 HydrophobicContact CE1-CD1 3.81Å; F825-I827 HydrophobicContact CE1-CG1 3.48Å; F825-I827 VanDerWaalsContact CE1-CG1 3.48Å; F825-I827 HydrophobicContact CZ-CG1 4.07Å; F825-R858 CarbonylContact C-O 3.59Å; F825-R858 WeakPolarHBondContact CA-O 3.39Å; F825-R858 HydrophobicContact CD2-CB 3.96Å; F825-I860 HydrophobicContact CE2-CD1 4.48Å; F825-I860 HydrophobicContact CE2-CG1 4.44Å; F825-I860 HydrophobicContact CZ-CD1 4.02Å; F825-I860 HydrophobicContact CZ-CG1 4.26Å
826	A	94.3	Very high	89.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.8	-176.9	0	0	0	0	0	111.9	F790 I816 R858 T859 I860	F790-A826 HydrophobicContact CB-CB 4.15Å; F790-A826 CarbonylContact O-C 3.52Å; F790-A826 WeakPolarHBondContact O-CA 3.35Å; I816-A826 HydrophobicContact CG2-CB 4.07Å; A826-R858 PolarHBondContact N-O 3.3Å; A826-T859 HydrophobicContact CB-CG2 4.26Å; A826-T859 CarbonylContact O-C 3.57Å; A826-T859 VanDerWaalsContact O-CA 3.24Å; A826-T859 WeakPolarHBondContact O-CA 3.5Å; A826-I860 PolarHBondContact O-N 3.39Å
827	I	94.1	Very high	89.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.5	168.3	-60	174.9	0	0	0	107.7	L396 M760 F790 T791 R792 I793 F825	L396-I827 HydrophobicContact CD2-CD1 4.09Å; M760-I827 HydrophobicContact CB-CD1 4.28Å; M760-I827 HydrophobicContact CB-CG2 3.73Å; M760-I827 HydrophobicContact CG-CG2 3.99Å; M760-I827 VanDerWaalsContact O-CD1 3.23Å; M760-I827 WeakPolarHBondContact O-CD1 3.37Å; M760-I827 HydrophobicContact SD-CG2 3.59Å; M760-I827 VanDerWaalsContact SD-CG2 3.59Å; F790-I827 PolarHBondContact O-N 3.38Å; T791-I827 CarbonylContact C-O 3.32Å; T791-I827 WeakPolarHBondContact CA-O 3.31Å; T791-I827 HydrophobicContact CG2-CB 4.37Å; T791-I827 HydrophobicContact CG2-CD1 4.17Å; R792-I827 PolarHBondContact N-O 3.19Å; I793-I827 HydrophobicContact CD1-CB 4.48Å; I793-I827 HydrophobicContact CD1-CD1 4.23Å; I793-I827 HydrophobicContact CD1-CG2 3.82Å; I793-I827 HydrophobicContact CG1-CG2 3.73Å; F825-I827 HydrophobicContact CD1-CG1 4.29Å; F825-I827 HydrophobicContact CE1-CD1 3.81Å; F825-I827 HydrophobicContact CE1-CG1 3.48Å; F825-I827 VanDerWaalsContact CE1-CG1 3.48Å; F825-I827 HydrophobicContact CZ-CG1 4.07Å
828	V	94.3	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	109.7	174.4	-176.4	0	0	0	0	108.6	R792 I816 L831 L851 I860 F861 S862	R792-V828 HydrophobicContact CG-CG1 4.46Å; I816-V828 HydrophobicContact CD1-CG2 4.15Å; V828-L831 HydrophobicContact CG1-CB 3.73Å; V828-L831 HydrophobicContact CG1-CD2 4.27Å; V828-L851 HydrophobicContact CG2-CD1 4.39Å; V828-I860 PolarHBondContact N-O 3.02Å; V828-F861 HydrophobicContact CB-CD2 3.71Å; V828-F861 HydrophobicContact CB-CE2 3.94Å; V828-F861 HydrophobicContact CB-CG 4.27Å; V828-F861 HydrophobicContact CG1-CD2 3.9Å; V828-F861 HydrophobicContact CG1-CE2 3.59Å; V828-F861 HydrophobicContact CG1-CZ 3.98Å; V828-F861 HydrophobicContact CG2-CD2 4.2Å; V828-F861 HydrophobicContact CG2-CE2 4.41Å; V828-F861 CarbonylContact O-C 3.19Å; V828-F861 WeakPolarHBondContact O-CA 3.29Å; V828-S862 PolarHBondContact O-N 2.92Å
829	D	92.1	Very high	89.6	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.2	-179.9	-159.9	8.3	0	0	0	110.8	S757 M760 R792 L831 S862	S757-D829 PolarHBondContact OG-OD2 3.19Å; M760-D829 HydrophobicContact CE-CB 3.79Å; M760-D829 VanDerWaalsContact CE-OD1 3.31Å; M760-D829 WeakPolarHBondContact CE-OD1 3.26Å; M760-D829 WeakPolarHBondContact CE-OD2 3.4Å; M760-D829 HydrophobicContact SD-CB 4.47Å; R792-D829 WeakPolarHBondContact O-CB 3.39Å; R792-D829 PolarHBondContact O-N 3.3Å; D829-L831 PolarHBondContact O-N 3.2Å; D829-S862 WeakPolarHBondContact OD1-CB 3.47Å; D829-S862 PolarHBondContact OD1-OG 3.34Å
830	E	89.4	Confident	89.8	Confident	17 Å²	17	35 Å²	35	8%	0.079	20%	0.2	C	C	.	.	S	Bend	trans	57	49.8	166.8	-59.1	155.2	145.5	0	0	113.4	N752 K756 G832 R833 S862 H864	N752-E830 PolarHBondContact OD1-OE1 3.08Å; K756-E830 IonicContact NZ-OE1 2.83Å; E830-G832 PolarHBondContact O-N 2.71Å; E830-R833 HydrophobicContact CB-CG 4.11Å; E830-R833 VanDerWaalsContact CD-NE 3.35Å; E830-R833 WeakPolarHBondContact O-CD 3.41Å; E830-R833 VanDerWaalsContact O-CG 3.24Å; E830-R833 WeakPolarHBondContact O-CG 3Å; E830-R833 IonicContact OE1-CZ 3.7Å; E830-R833 IonicContact OE1-NH2 2.79Å; E830-R833 PolarHBondContact OE1-NH2 3.24Å; E830-R833 IonicContact OE2-CZ 3.79Å; E830-R833 IonicContact OE2-NE 3.44Å; E830-R833 PolarHBondContact OE2-NE 3.05Å; E830-R833 IonicContact OE2-NH2 3.91Å; E830-R833 PolarHBondContact OE2-NH2 3.23Å; E830-S862 VanDerWaalsContact CA-O 3.31Å; E830-S862 WeakPolarHBondContact CA-O 3.34Å; E830-S862 PolarHBondContact N-O 2.98Å; E830-H864 IonicContact OE1-CD2 2.72Å; E830-H864 PolarHBondContact OE1-CD2 3.03Å; E830-H864 IonicContact OE1-CE1 3.74Å; E830-H864 IonicContact OE1-NE2 2.81Å; E830-H864 PolarHBondContact OE1-NE2 3.06Å
831	L	91	Very high	89.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	133.1	176.9	-179.2	61.3	0	0	0	111.8	E809 T813 V828 D829 I843 T847 F861 Y865	E809-L831 HydrophobicContact CG-CD1 3.63Å; E809-L831 VanDerWaalsContact OE1-CA 3.25Å; E809-L831 WeakPolarHBondContact OE1-CA 3.31Å; T813-L831 HydrophobicContact CG2-CD1 4.33Å; T813-L831 HydrophobicContact CG2-CD2 3.92Å; T813-L831 VanDerWaalsContact OG1-CD1 3.27Å; T813-L831 WeakPolarHBondContact OG1-CD1 3.42Å; V828-L831 HydrophobicContact CG1-CB 3.73Å; V828-L831 HydrophobicContact CG1-CD2 4.27Å; D829-L831 PolarHBondContact O-N 3.2Å; L831-I843 HydrophobicContact CD2-CG2 4.25Å; L831-I843 HydrophobicContact CG-CG2 4.34Å; L831-T847 HydrophobicContact CD2-CG2 3.72Å; L831-F861 HydrophobicContact CB-CZ 3.92Å; L831-F861 HydrophobicContact CD2-CE2 4.31Å; L831-F861 HydrophobicContact CD2-CZ 4.1Å; L831-Y865 WeakPolarHBondContact O-CE2 3.25Å
832	G	86.1	Confident	90	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	10.7	178.3	0	0	0	0	0	113.9	E809 E830 G834 T835 Y865	E809-G832 PolarHBondContact OE1-N 3.04Å; E830-G832 PolarHBondContact O-N 2.71Å; G832-G834 VanDerWaalsContact C-N 3.29Å; G832-G834 PolarHBondContact O-N 3.47Å; G832-T835 WeakPolarHBondContact O-CG2 3.33Å; G832-T835 PolarHBondContact O-N 3.25Å; G832-Y865 PolarHBondContact O-OH 2.87Å
833	R	83	Confident	90.3	Very high	116 Å²	116	36.9 Å²	36.9	44%	0.438	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.5	178.9	-89.7	170.3	171	-78.1	-0.6	113.3	E809 E830 T835	E809-R833 PolarHBondContact OE2-N 3.2Å; E830-R833 HydrophobicContact CB-CG 4.11Å; E830-R833 VanDerWaalsContact CD-NE 3.35Å; E830-R833 WeakPolarHBondContact O-CD 3.41Å; E830-R833 VanDerWaalsContact O-CG 3.24Å; E830-R833 WeakPolarHBondContact O-CG 3Å; E830-R833 IonicContact OE1-CZ 3.7Å; E830-R833 IonicContact OE1-NH2 2.79Å; E830-R833 PolarHBondContact OE1-NH2 3.24Å; E830-R833 IonicContact OE2-CZ 3.79Å; E830-R833 IonicContact OE2-NE 3.44Å; E830-R833 PolarHBondContact OE2-NE 3.05Å; E830-R833 IonicContact OE2-NH2 3.91Å; E830-R833 PolarHBondContact OE2-NH2 3.23Å; R833-T835 VanDerWaalsContact C-N 3.27Å; R833-T835 PolarHBondContact O-N 3.34Å
834	G	81.9	Confident	90.5	Very high	36 Å²	36	34.3 Å²	34.3	37%	0.371	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.5	-177	0	0	0	0	0	115.8	E809 G832	E809-G834 PolarHBondContact OE2-N 2.83Å; G832-G834 VanDerWaalsContact C-N 3.29Å; G832-G834 PolarHBondContact O-N 3.47Å
835	T	88.3	Confident	90.7	Very high	44 Å²	44	35 Å²	35	27%	0.27	20%	0.2	S	C	.	.	S	Bend	trans	-137	-180	-173.1	-168	0	0	0	0	113.1	L806 G832 R833 D839 I843	L806-T835 HydrophobicContact CD1-CG2 4.08Å; G832-T835 WeakPolarHBondContact O-CG2 3.33Å; G832-T835 PolarHBondContact O-N 3.25Å; R833-T835 VanDerWaalsContact C-N 3.27Å; R833-T835 PolarHBondContact O-N 3.34Å; T835-D839 HydrophobicContact CG2-CB 4.1Å; T835-I843 HydrophobicContact CG2-CD1 4.47Å
836	S	90.4	Very high	90.7	Very high	55 Å²	55	37.8 Å²	37.8	39%	0.385	22%	0.224	S	C	.	.			trans	-58.9	150.8	175.2	84.2	0	0	0	0	111.1	H838 D839 G840	S836-H838 PolarHBondContact O-N 3Å; S836-D839 PolarHBondContact O-N 3.2Å; S836-D839 WeakPolarHBondContact OG-CB 2.99Å; S836-D839 PolarHBondContact OG-N 3.43Å; S836-D839 PolarHBondContact OG-OD2 3.29Å; S836-G840 PolarHBondContact O-N 3.41Å
837	T	87	Confident	90.8	Very high	102 Å²	102	38.2 Å²	38.2	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-59.7	-35.4	-179.6	-50.1	0	0	0	0	112.4	T841 Y865	T837-T841 WeakPolarHBondContact O-CB 3.35Å; T837-T841 PolarHBondContact O-N 3.36Å; T837-T841 PolarHBondContact O-OG1 3.23Å; T837-Y865 HydrophobicContact CG2-CD1 4.26Å; T837-Y865 HydrophobicContact CG2-CE1 4.01Å
838	H	89	Confident	90.8	Very high	145 Å²	145	38.2 Å²	38.2	67%	0.671	23%	0.226	S	C	*	.	H	α-helix	trans	-63.1	-53.7	176.7	177.1	-88.1	0	0	0	111	S836 T841 A842	S836-H838 PolarHBondContact O-N 3Å; H838-T841 PolarHBondContact O-N 2.55Å; H838-A842 PolarHBondContact O-N 2.88Å
839	D	91.1	Very high	90.9	Very high	72 Å²	72	42.9 Å²	42.9	39%	0.385	25%	0.247	S	C	.	.	H	α-helix	trans	-69.4	-39.1	-176.7	-55.4	-31.7	0	0	0	111.3	T835 S836 T841 A842 I843	T835-D839 HydrophobicContact CG2-CB 4.1Å; S836-D839 PolarHBondContact O-N 3.2Å; S836-D839 WeakPolarHBondContact OG-CB 2.99Å; S836-D839 PolarHBondContact OG-N 3.43Å; S836-D839 PolarHBondContact OG-OD2 3.29Å; D839-T841 PolarHBondContact O-N 2.69Å; D839-A842 PolarHBondContact O-N 2.92Å; D839-I843 WeakPolarHBondContact O-CB 3.27Å; D839-I843 WeakPolarHBondContact O-CD1 3.23Å; D839-I843 WeakPolarHBondContact O-CG1 3.45Å; D839-I843 PolarHBondContact O-N 3.47Å
840	G	90.8	Very high	91	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43	176.1	0	0	0	0	0	112	S836 A844 Y865	S836-G840 PolarHBondContact O-N 3.41Å; G840-A844 WeakPolarHBondContact O-CB 3.4Å; G840-A844 PolarHBondContact O-N 2.68Å; G840-Y865 WeakPolarHBondContact CA-OH 3.38Å
841	T	91.8	Very high	91.2	Very high	26 Å²	26	47.1 Å²	47.1	16%	0.16	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-43.2	175.1	-54.7	0	0	0	0	111.3	T837 H838 D839 S845 Y865 N867	T837-T841 WeakPolarHBondContact O-CB 3.35Å; T837-T841 PolarHBondContact O-N 3.36Å; T837-T841 PolarHBondContact O-OG1 3.23Å; H838-T841 PolarHBondContact O-N 2.55Å; D839-T841 PolarHBondContact O-N 2.69Å; T841-S845 VanDerWaalsContact O-CB 3.22Å; T841-S845 WeakPolarHBondContact O-CB 3.36Å; T841-S845 PolarHBondContact O-N 2.6Å; T841-Y865 WeakPolarHBondContact OG1-CD1 3.44Å; T841-N867 HydrophobicContact CG2-CB 4.36Å
842	A	93.3	Very high	91.2	Very high	53 Å²	53	47.1 Å²	47.1	44%	0.438	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-46.3	179.5	0	0	0	0	0	112.1	H838 D839 S845 A846	H838-A842 PolarHBondContact O-N 2.88Å; D839-A842 PolarHBondContact O-N 2.92Å; A842-S845 PolarHBondContact O-N 3.25Å; A842-A846 WeakPolarHBondContact O-CB 3.48Å; A842-A846 PolarHBondContact O-N 2.77Å
843	I	93.8	Very high	91.5	Very high	47 Å²	47	50.8 Å²	50.8	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-46.6	178.1	-67.8	164	0	0	0	110.6	L810 L831 T835 D839 S845 A846 T847	L810-I843 HydrophobicContact CD2-CD1 4.32Å; L810-I843 HydrophobicContact CD2-CG2 3.89Å; L831-I843 HydrophobicContact CD2-CG2 4.25Å; L831-I843 HydrophobicContact CG-CG2 4.34Å; T835-I843 HydrophobicContact CG2-CD1 4.47Å; D839-I843 WeakPolarHBondContact O-CB 3.27Å; D839-I843 WeakPolarHBondContact O-CD1 3.23Å; D839-I843 WeakPolarHBondContact O-CG1 3.45Å; D839-I843 PolarHBondContact O-N 3.47Å; I843-S845 VanDerWaalsContact C-N 3.35Å; I843-S845 PolarHBondContact O-N 2.87Å; I843-A846 PolarHBondContact O-N 3.46Å; I843-T847 VanDerWaalsContact O-CB 3.3Å; I843-T847 WeakPolarHBondContact O-CB 3.39Å; I843-T847 PolarHBondContact O-N 2.79Å; I843-T847 PolarHBondContact O-OG1 3.39Å
844	A	94.2	Very high	92	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-43	178.1	0	0	0	0	0	111.5	G840 T847 L848 F861 Y865 L868	G840-A844 WeakPolarHBondContact O-CB 3.4Å; G840-A844 PolarHBondContact O-N 2.68Å; A844-T847 PolarHBondContact O-N 3.42Å; A844-L848 VanDerWaalsContact O-CB 3.22Å; A844-L848 WeakPolarHBondContact O-CB 3.37Å; A844-L848 PolarHBondContact O-N 3.44Å; A844-F861 HydrophobicContact CB-CE1 4.27Å; A844-F861 HydrophobicContact CB-CZ 4Å; A844-Y865 HydrophobicContact CB-CD2 4.05Å; A844-Y865 HydrophobicContact CB-CE2 4.14Å; A844-L868 HydrophobicContact CB-CD2 3.97Å
845	S	94.8	Very high	92.4	Very high	14 Å²	14	53.7 Å²	53.7	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-49.3	176.4	-175.8	0	0	0	0	112.4	T841 A842 I843 T847 L848 K849 L868 Q871	T841-S845 VanDerWaalsContact O-CB 3.22Å; T841-S845 WeakPolarHBondContact O-CB 3.36Å; T841-S845 PolarHBondContact O-N 2.6Å; A842-S845 PolarHBondContact O-N 3.25Å; I843-S845 VanDerWaalsContact C-N 3.35Å; I843-S845 PolarHBondContact O-N 2.87Å; S845-T847 PolarHBondContact O-N 2.78Å; S845-L848 PolarHBondContact O-N 3.44Å; S845-K849 VanDerWaalsContact O-CB 3.31Å; S845-K849 WeakPolarHBondContact O-CB 3.2Å; S845-K849 PolarHBondContact O-N 3.23Å; S845-L868 VanDerWaalsContact CA-CD1 3.42Å; S845-Q871 PolarHBondContact OG-NE2 3.15Å; S845-Q871 PolarHBondContact OG-OE1 3.02Å
846	A	95	Very high	92.5	Very high	62 Å²	62	58.3 Å²	58.3	51%	0.512	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-43.2	178.3	0	0	0	0	0	112	A842 I843 Y850	A842-A846 WeakPolarHBondContact O-CB 3.48Å; A842-A846 PolarHBondContact O-N 2.77Å; I843-A846 PolarHBondContact O-N 3.46Å; A846-Y850 WeakPolarHBondContact O-CB 3.46Å; A846-Y850 PolarHBondContact O-N 2.72Å
847	T	95.6	Very high	92.3	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-48.1	179.5	-56.4	0	0	0	0	111.2	T813 L817 L831 I843 A844 S845 K849 Y850 L851 F861	T813-T847 HydrophobicContact CG2-CG2 3.68Å; L817-T847 HydrophobicContact CD1-CG2 4.41Å; L817-T847 HydrophobicContact CD2-CG2 4.13Å; L831-T847 HydrophobicContact CD2-CG2 3.72Å; I843-T847 VanDerWaalsContact O-CB 3.3Å; I843-T847 WeakPolarHBondContact O-CB 3.39Å; I843-T847 PolarHBondContact O-N 2.79Å; I843-T847 PolarHBondContact O-OG1 3.39Å; A844-T847 PolarHBondContact O-N 3.42Å; S845-T847 PolarHBondContact O-N 2.78Å; T847-K849 VanDerWaalsContact C-N 3.35Å; T847-K849 PolarHBondContact O-N 3Å; T847-Y850 PolarHBondContact O-N 3.38Å; T847-L851 HydrophobicContact CG2-CD1 3.97Å; T847-L851 WeakPolarHBondContact O-CG 3.24Å; T847-L851 PolarHBondContact O-N 3.2Å; T847-F861 HydrophobicContact CG2-CE2 4.32Å
848	L	95	Very high	92.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-46.4	177.7	-179.2	64.9	0	0	0	111.1	V745 L747 A844 S845 Y850 L851 A852 F861 L868 F872	V745-L848 HydrophobicContact CG1-CD1 3.55Å; L747-L848 HydrophobicContact CD1-CD2 3.87Å; L747-L848 HydrophobicContact CD2-CD2 4.08Å; L747-L848 HydrophobicContact CG-CD2 4.49Å; A844-L848 VanDerWaalsContact O-CB 3.22Å; A844-L848 WeakPolarHBondContact O-CB 3.37Å; A844-L848 PolarHBondContact O-N 3.44Å; S845-L848 PolarHBondContact O-N 3.44Å; L848-Y850 VanDerWaalsContact C-N 3.35Å; L848-Y850 PolarHBondContact O-N 3.37Å; L848-L851 PolarHBondContact O-N 3.1Å; L848-A852 VanDerWaalsContact O-CB 3.3Å; L848-A852 WeakPolarHBondContact O-CB 3.22Å; L848-A852 PolarHBondContact O-N 3.09Å; L848-F861 HydrophobicContact CB-CD2 4.35Å; L848-F861 HydrophobicContact CB-CE2 4.22Å; L848-F861 HydrophobicContact CD1-CB 3.84Å; L848-F861 HydrophobicContact CD1-CD1 4.46Å; L848-F861 HydrophobicContact CD1-CD2 3.84Å; L848-F861 HydrophobicContact CD1-CG 3.8Å; L848-L868 HydrophobicContact CD2-CD1 4.02Å; L848-L868 HydrophobicContact CD2-CD2 4.15Å; L848-L868 HydrophobicContact CD2-CG 4.08Å; L848-F872 HydrophobicContact CD2-CD1 4.32Å; L848-F872 HydrophobicContact CD2-CD2 3.71Å; L848-F872 HydrophobicContact CD2-CE1 4.39Å; L848-F872 HydrophobicContact CD2-CE2 3.81Å; L848-F872 HydrophobicContact CD2-CG 3.98Å; L848-F872 HydrophobicContact CD2-CZ 4.14Å; L848-F872 HydrophobicContact CG-CE1 4.44Å; L848-F872 HydrophobicContact CG-CE2 4.4Å; L848-F872 HydrophobicContact CG-CZ 4.28Å
849	K	94.6	Very high	92.7	Very high	98 Å²	98	44.8 Å²	44.8	43%	0.426	22%	0.216	S	C	.	.	H	α-helix	trans	-58.6	-46.7	176.9	-166.9	174.9	-178.5	176.6	0	111.5	S845 T847 A852 E853 F872	S845-K849 VanDerWaalsContact O-CB 3.31Å; S845-K849 WeakPolarHBondContact O-CB 3.2Å; S845-K849 PolarHBondContact O-N 3.23Å; T847-K849 VanDerWaalsContact C-N 3.35Å; T847-K849 PolarHBondContact O-N 3Å; K849-A852 PolarHBondContact O-N 2.93Å; K849-E853 WeakPolarHBondContact CE-OE1 3.31Å; K849-E853 WeakPolarHBondContact CE-OE2 3.37Å; K849-E853 HydrophobicContact CG-CG 4.21Å; K849-E853 WeakPolarHBondContact CG-OE1 3.36Å; K849-E853 WeakPolarHBondContact O-CB 3.37Å; K849-E853 PolarHBondContact O-N 2.85Å; K849-F872 HydrophobicContact CB-CE1 4.46Å; K849-F872 HydrophobicContact CB-CZ 3.99Å
850	Y	95.3	Very high	92.7	Very high	110 Å²	110	41.4 Å²	41.4	43%	0.431	20%	0.198	S	C	.	.	I	π-helix	trans	-64.5	-44	-178.7	-166.4	-90.3	0	0	0	112.2	L817 A846 T847 L848 R854 I855	L817-Y850 HydrophobicContact CD2-CD1 3.63Å; L817-Y850 HydrophobicContact CD2-CE1 4.3Å; L817-Y850 HydrophobicContact CD2-CG 4.36Å; A846-Y850 WeakPolarHBondContact O-CB 3.46Å; A846-Y850 PolarHBondContact O-N 2.72Å; T847-Y850 PolarHBondContact O-N 3.38Å; L848-Y850 VanDerWaalsContact C-N 3.35Å; L848-Y850 PolarHBondContact O-N 3.37Å; Y850-R854 HydrophobicContact CD2-CB 4.14Å; Y850-R854 HydrophobicContact CD2-CG 4.38Å; Y850-R854 HydrophobicContact CE1-CG 4.45Å; Y850-R854 HydrophobicContact CE2-CB 4.17Å; Y850-R854 HydrophobicContact CE2-CG 3.9Å; Y850-R854 HydrophobicContact CG-CB 4.32Å; Y850-R854 VanDerWaalsContact O-CB 3.31Å; Y850-R854 WeakPolarHBondContact O-CB 3.48Å; Y850-R854 PolarHBondContact O-N 3.42Å; Y850-R854 VanDerWaalsContact O-N 3.09Å; Y850-I855 HydrophobicContact CD1-CD1 3.67Å; Y850-I855 HydrophobicContact CD1-CG1 3.98Å; Y850-I855 HydrophobicContact CE1-CD1 3.6Å; Y850-I855 HydrophobicContact CE1-CG1 3.77Å; Y850-I855 PolarHBondContact O-N 2.71Å; Y850-I855 VanDerWaalsContact O-N 3.11Å
851	L	93.2	Very high	92.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.198	C	C	.	.	I	π-helix	trans	-62.5	-44.3	176	-70.4	167.4	0	0	0	111.4	I816 L817 V828 T847 L848 I855 R856 C857 T859	I816-L851 HydrophobicContact CG2-CD2 4.14Å; L817-L851 HydrophobicContact CD2-CD2 4.05Å; L817-L851 HydrophobicContact CD2-CG 4.08Å; V828-L851 HydrophobicContact CG2-CD1 4.39Å; T847-L851 HydrophobicContact CG2-CD1 3.97Å; T847-L851 WeakPolarHBondContact O-CG 3.24Å; T847-L851 PolarHBondContact O-N 3.2Å; L848-L851 PolarHBondContact O-N 3.1Å; L851-I855 HydrophobicContact CD2-CD1 3.91Å; L851-R856 WeakPolarHBondContact O-CA 3.2Å; L851-R856 PolarHBondContact O-N 3.14Å; L851-C857 VanDerWaalsContact CD2-SG 3.53Å; L851-T859 HydrophobicContact CD1-CG2 4.17Å
852	A	91.1	Very high	92.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-71.8	-51.4	-177.4	0	0	0	0	0	113.1	V745 L848 K849 R856 L877 V878	V745-A852 HydrophobicContact CG2-CB 3.8Å; L848-A852 VanDerWaalsContact O-CB 3.3Å; L848-A852 WeakPolarHBondContact O-CB 3.22Å; L848-A852 PolarHBondContact O-N 3.09Å; K849-A852 PolarHBondContact O-N 2.93Å; A852-R856 WeakPolarHBondContact O-CG 3.31Å; A852-L877 HydrophobicContact CB-CB 4.47Å; A852-L877 WeakPolarHBondContact O-CD1 3.45Å; A852-V878 HydrophobicContact CB-CG2 3.9Å
853	E	92	Very high	92.8	Very high	76 Å²	76	37.7 Å²	37.7	36%	0.355	17%	0.17	S	C	.	.	I	π-helix	trans	-88.1	-44	-169.7	-65.4	179.4	-175.8	0	0	112.9	K849 R856 H875	K849-E853 WeakPolarHBondContact CE-OE1 3.31Å; K849-E853 WeakPolarHBondContact CE-OE2 3.37Å; K849-E853 HydrophobicContact CG-CG 4.21Å; K849-E853 WeakPolarHBondContact CG-OE1 3.36Å; K849-E853 WeakPolarHBondContact O-CB 3.37Å; K849-E853 PolarHBondContact O-N 2.85Å; E853-R856 WeakPolarHBondContact O-CG 3.31Å; E853-R856 PolarHBondContact O-NE 2.71Å; E853-H875 IonicContact OE1-NE2 2.71Å; E853-H875 PolarHBondContact OE1-NE2 3.28Å
854	R	93.4	Very high	92.5	Very high	191 Å²	191	39.7 Å²	39.7	72%	0.721	18%	0.178	S	C	*	.	I	π-helix	trans	-88.9	-55.4	-170.7	-171.8	63.6	177	149.7	0.2	112	Y850	Y850-R854 HydrophobicContact CD2-CB 4.14Å; Y850-R854 HydrophobicContact CD2-CG 4.38Å; Y850-R854 HydrophobicContact CE1-CG 4.45Å; Y850-R854 HydrophobicContact CE2-CB 4.17Å; Y850-R854 HydrophobicContact CE2-CG 3.9Å; Y850-R854 HydrophobicContact CG-CB 4.32Å; Y850-R854 VanDerWaalsContact O-CB 3.31Å; Y850-R854 WeakPolarHBondContact O-CB 3.48Å; Y850-R854 PolarHBondContact O-N 3.42Å; Y850-R854 VanDerWaalsContact O-N 3.09Å
855	I	90.9	Very high	92.2	Very high	22 Å²	22	41.5 Å²	41.5	11%	0.113	19%	0.185	C	C	.	.	I	π-helix	trans	-79.4	-41.3	-178.5	-60.3	170	0	0	0	110.6	L817 C820 A822 Y850 L851 C857	L817-I855 HydrophobicContact CD2-CD1 4.46Å; C820-I855 HydrophobicContact CB-CD1 4.24Å; C820-I855 HydrophobicContact CB-CG2 4.37Å; A822-I855 WeakPolarHBondContact CB-O 3.39Å; Y850-I855 HydrophobicContact CD1-CD1 3.67Å; Y850-I855 HydrophobicContact CD1-CG1 3.98Å; Y850-I855 HydrophobicContact CE1-CD1 3.6Å; Y850-I855 HydrophobicContact CE1-CG1 3.77Å; Y850-I855 PolarHBondContact O-N 2.71Å; Y850-I855 VanDerWaalsContact O-N 3.11Å; L851-I855 HydrophobicContact CD2-CD1 3.91Å; I855-C857 HydrophobicContact CG2-CB 3.7Å; I855-C857 PolarHBondContact O-N 3.19Å
856	R	89.5	Confident	91.7	Very high	141 Å²	141	45.5 Å²	45.5	53%	0.532	20%	0.202	S	C	.	.			trans	57.6	38.2	-174.2	-55.1	175.7	176.3	-171.7	-4.8	112	R725 L851 A852 E853	R725-R856 PolarHBondContact NH1-O 2.63Å; L851-R856 WeakPolarHBondContact O-CA 3.2Å; L851-R856 PolarHBondContact O-N 3.14Å; A852-R856 WeakPolarHBondContact O-CG 3.31Å; E853-R856 WeakPolarHBondContact O-CG 3.31Å; E853-R856 PolarHBondContact O-NE 2.71Å
857	C	88.1	Confident	91.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.205	C	C	.	.			trans	-79.6	160.7	172.4	59.7	0	0	0	0	110.9	P744 C820 S821 L851 I855 T859	P744-C857 WeakPolarHBondContact CB-O 3.5Å; C820-C857 WeakPolarHBondContact SG-CB 3.44Å; C820-C857 PolarHBondContact SG-SG 2.84Å; S821-C857 WeakPolarHBondContact O-CB 3.49Å; L851-C857 VanDerWaalsContact CD2-SG 3.53Å; I855-C857 HydrophobicContact CG2-CB 3.7Å; I855-C857 PolarHBondContact O-N 3.19Å; C857-T859 PolarHBondContact SG-OG1 3.36Å
858	R	90.5	Very high	91	Very high	19 Å²	19	47.2 Å²	47.2	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125	174.2	-73.2	166.6	-74.4	-174.1	-12	109.1	F733 P744 T784 P785 N823 S824 F825 A826	F733-R858 HydrophobicContact CB-CG 4.16Å; F733-R858 HydrophobicContact CD2-CB 3.59Å; F733-R858 HydrophobicContact CD2-CG 3.66Å; F733-R858 HydrophobicContact CE2-CB 3.82Å; F733-R858 HydrophobicContact CE2-CG 4.39Å; F733-R858 HydrophobicContact CG-CB 4.49Å; F733-R858 HydrophobicContact CG-CG 4.19Å; P744-R858 VanDerWaalsContact O-CA 3.29Å; P744-R858 WeakPolarHBondContact O-CA 3.48Å; T784-R858 PolarHBondContact O-NH1 3.24Å; T784-R858 PolarHBondContact OG1-NH1 3.22Å; P785-R858 PolarHBondContact O-NH2 3.04Å; N823-R858 PolarHBondContact O-NH2 2.92Å; S824-R858 PolarHBondContact O-N 3Å; F825-R858 CarbonylContact C-O 3.59Å; F825-R858 WeakPolarHBondContact CA-O 3.39Å; F825-R858 HydrophobicContact CD2-CB 3.96Å; A826-R858 PolarHBondContact N-O 3.3Å
859	T	92.2	Very high	90.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	133.7	-172.3	-55.5	0	0	0	0	112.6	F733 P744 V745 L746 A826 L851 C857 F861	F733-T859 WeakPolarHBondContact CZ-O 3.38Å; P744-T859 PolarHBondContact O-N 3.08Å; V745-T859 CarbonylContact C-O 3.56Å; V745-T859 WeakPolarHBondContact CA-O 3.37Å; V745-T859 HydrophobicContact CG1-CG2 4.43Å; L746-T859 PolarHBondContact N-O 2.76Å; A826-T859 HydrophobicContact CB-CG2 4.26Å; A826-T859 CarbonylContact O-C 3.57Å; A826-T859 VanDerWaalsContact O-CA 3.24Å; A826-T859 WeakPolarHBondContact O-CA 3.5Å; L851-T859 HydrophobicContact CD1-CG2 4.17Å; C857-T859 PolarHBondContact SG-OG1 3.36Å; T859-F861 HydrophobicContact CG2-CB 4.25Å
860	I	92.7	Very high	90.4	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.6	160.4	-53.3	176.1	0	0	0	107.4	F733 L737 L746 L748 M760 V763 F825 A826 V828	F733-I860 HydrophobicContact CZ-CG1 4Å; L737-I860 HydrophobicContact CD1-CD1 4.3Å; L746-I860 HydrophobicContact CD2-CG2 4.3Å; L748-I860 HydrophobicContact CB-CG2 4.24Å; L748-I860 HydrophobicContact CD2-CG2 4.3Å; M760-I860 HydrophobicContact CG-CB 4.11Å; M760-I860 HydrophobicContact CG-CD1 4.45Å; M760-I860 HydrophobicContact CG-CG2 3.52Å; M760-I860 HydrophobicContact SD-CB 4.43Å; M760-I860 HydrophobicContact SD-CG2 3.81Å; V763-I860 HydrophobicContact CB-CD1 4.08Å; V763-I860 HydrophobicContact CG1-CD1 4.15Å; V763-I860 HydrophobicContact CG2-CD1 4.05Å; F825-I860 HydrophobicContact CE2-CD1 4.48Å; F825-I860 HydrophobicContact CE2-CG1 4.44Å; F825-I860 HydrophobicContact CZ-CD1 4.02Å; F825-I860 HydrophobicContact CZ-CG1 4.26Å; A826-I860 PolarHBondContact O-N 3.39Å; V828-I860 PolarHBondContact N-O 3.02Å
861	F	93.9	Very high	90.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.8	-178.4	-162.2	-70.6	0	0	0	108.8	L746 L747 L748 V828 L831 A844 T847 L848 T859 L868	L746-F861 PolarHBondContact O-N 2.7Å; L747-F861 CarbonylContact C-O 3.54Å; L747-F861 WeakPolarHBondContact CA-O 3.49Å; L747-F861 HydrophobicContact CD1-CB 4.22Å; L747-F861 HydrophobicContact CD1-CD1 3.78Å; L747-F861 HydrophobicContact CD1-CG 4.34Å; L747-F861 WeakPolarHBondContact CD1-O 3.46Å; L748-F861 PolarHBondContact N-O 3.37Å; V828-F861 HydrophobicContact CB-CD2 3.71Å; V828-F861 HydrophobicContact CB-CE2 3.94Å; V828-F861 HydrophobicContact CB-CG 4.27Å; V828-F861 HydrophobicContact CG1-CD2 3.9Å; V828-F861 HydrophobicContact CG1-CE2 3.59Å; V828-F861 HydrophobicContact CG1-CZ 3.98Å; V828-F861 HydrophobicContact CG2-CD2 4.2Å; V828-F861 HydrophobicContact CG2-CE2 4.41Å; V828-F861 CarbonylContact O-C 3.19Å; V828-F861 WeakPolarHBondContact O-CA 3.29Å; L831-F861 HydrophobicContact CB-CZ 3.92Å; L831-F861 HydrophobicContact CD2-CE2 4.31Å; L831-F861 HydrophobicContact CD2-CZ 4.1Å; A844-F861 HydrophobicContact CB-CE1 4.27Å; A844-F861 HydrophobicContact CB-CZ 4Å; T847-F861 HydrophobicContact CG2-CE2 4.32Å; L848-F861 HydrophobicContact CB-CD2 4.35Å; L848-F861 HydrophobicContact CB-CE2 4.22Å; L848-F861 HydrophobicContact CD1-CB 3.84Å; L848-F861 HydrophobicContact CD1-CD1 4.46Å; L848-F861 HydrophobicContact CD1-CD2 3.84Å; L848-F861 HydrophobicContact CD1-CG 3.8Å; T859-F861 HydrophobicContact CG2-CB 4.25Å; F861-L868 HydrophobicContact CE1-CD2 4.12Å
862	S	92.8	Very high	90	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.4	176.4	158.4	0	0	0	0	110.3	L748 V828 D829 E830	L748-S862 VanDerWaalsContact O-CA 3.31Å; L748-S862 WeakPolarHBondContact O-CA 3.31Å; V828-S862 PolarHBondContact O-N 2.92Å; D829-S862 WeakPolarHBondContact OD1-CB 3.47Å; D829-S862 PolarHBondContact OD1-OG 3.34Å; E830-S862 VanDerWaalsContact CA-O 3.31Å; E830-S862 WeakPolarHBondContact CA-O 3.34Å; E830-S862 PolarHBondContact N-O 2.98Å
863	T	91	Very high	89.8	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.012	23%	0.234	C	C	.	.			trans	-146.7	153.5	179.3	-166.4	0	0	0	0	113.4	L747 L748 T749 Y865 L868 V869	L747-T863 HydrophobicContact CD1-CG2 3.66Å; L747-T863 HydrophobicContact CG-CG2 4.24Å; L748-T863 PolarHBondContact O-N 3.42Å; T749-T863 HydrophobicContact CG2-CG2 4.24Å; T863-Y865 WeakPolarHBondContact OG1-CD2 3.33Å; T863-Y865 PolarHBondContact OG1-N 3.32Å; T863-Y865 VanDerWaalsContact OG1-N 3.09Å; T863-L868 HydrophobicContact CG2-CD2 4.1Å; T863-V869 HydrophobicContact CG2-CG2 4.2Å
864	H	86.9	Confident	89.4	Confident	88 Å²	88	55.9 Å²	55.9	41%	0.407	26%	0.256	S	S	.	.			trans	-102.9	-5.3	166.4	-69.4	-69.8	0	0	0	113.2	N752 K756 E830 H866	N752-H864 PolarHBondContact OD1-CE1 3.4Å; N752-H864 PolarHBondContact OD1-NE2 3.19Å; K756-H864 PolarHBondContact NZ-CE1 3.1Å; E830-H864 IonicContact OE1-CD2 2.72Å; E830-H864 PolarHBondContact OE1-CD2 3.03Å; E830-H864 IonicContact OE1-CE1 3.74Å; E830-H864 IonicContact OE1-NE2 2.81Å; E830-H864 PolarHBondContact OE1-NE2 3.06Å; H864-H866 PolarHBondContact O-N 3.09Å; H864-H866 VanDerWaalsContact O-N 3.16Å
865	Y	88.6	Confident	89.2	Confident	38 Å²	38	48.4 Å²	48.4	15%	0.149	23%	0.229	C	C	.	.			trans	-79.4	101.5	-177.1	-59.1	-53.6	0	0	0	110.7	L831 G832 T837 G840 T841 A844 T863 N867 L868 V869	L831-Y865 WeakPolarHBondContact O-CE2 3.25Å; G832-Y865 PolarHBondContact O-OH 2.87Å; T837-Y865 HydrophobicContact CG2-CD1 4.26Å; T837-Y865 HydrophobicContact CG2-CE1 4.01Å; G840-Y865 WeakPolarHBondContact CA-OH 3.38Å; T841-Y865 WeakPolarHBondContact OG1-CD1 3.44Å; A844-Y865 HydrophobicContact CB-CD2 4.05Å; A844-Y865 HydrophobicContact CB-CE2 4.14Å; T863-Y865 WeakPolarHBondContact OG1-CD2 3.33Å; T863-Y865 PolarHBondContact OG1-N 3.32Å; T863-Y865 VanDerWaalsContact OG1-N 3.09Å; Y865-N867 VanDerWaalsContact C-N 3.27Å; Y865-N867 PolarHBondContact O-N 3.32Å; Y865-L868 VanDerWaalsContact O-CB 3.29Å; Y865-L868 WeakPolarHBondContact O-CB 3.42Å; Y865-L868 PolarHBondContact O-N 2.66Å; Y865-V869 PolarHBondContact O-N 3.03Å
866	H	84.1	Confident	88.9	Confident	98 Å²	98	53.7 Å²	53.7	45%	0.454	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-33.6	-179.5	-161.3	67.2	0	0	0	112.8	H864 L868 V869 Q870	H864-H866 PolarHBondContact O-N 3.09Å; H864-H866 VanDerWaalsContact O-N 3.16Å; H866-L868 PolarHBondContact O-N 2.95Å; H866-V869 WeakPolarHBondContact O-CB 3.41Å; H866-V869 PolarHBondContact O-N 3.39Å; H866-V869 VanDerWaalsContact O-N 3.1Å; H866-Q870 PolarHBondContact CD2-NE2 3.14Å; H866-Q870 VanDerWaalsContact CD2-NE2 3.32Å; H866-Q870 PolarHBondContact O-N 2.88Å
867	N	86.3	Confident	88.8	Confident	107 Å²	107	47.3 Å²	47.3	57%	0.572	23%	0.23	S	C	*	.	H	α-helix	trans	-59.9	-35.3	173.9	-70.8	2	0	0	0	112.3	T841 Y865 V869 Q870 Q871	T841-N867 HydrophobicContact CG2-CB 4.36Å; Y865-N867 VanDerWaalsContact C-N 3.27Å; Y865-N867 PolarHBondContact O-N 3.32Å; N867-V869 VanDerWaalsContact C-N 3.33Å; N867-Q870 PolarHBondContact O-N 3.33Å; N867-Q871 WeakPolarHBondContact O-CB 3.29Å; N867-Q871 PolarHBondContact O-N 3.44Å
868	L	89.5	Confident	88.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-40.8	176.5	-175.2	62.9	0	0	0	110.7	L747 A844 S845 L848 F861 T863 Y865 H866 Q871 F872	L747-L868 HydrophobicContact CD1-CD2 4.32Å; L747-L868 HydrophobicContact CD2-CG 4.43Å; A844-L868 HydrophobicContact CB-CD2 3.97Å; S845-L868 VanDerWaalsContact CA-CD1 3.42Å; L848-L868 HydrophobicContact CD2-CD1 4.02Å; L848-L868 HydrophobicContact CD2-CD2 4.15Å; L848-L868 HydrophobicContact CD2-CG 4.08Å; F861-L868 HydrophobicContact CE1-CD2 4.12Å; T863-L868 HydrophobicContact CG2-CD2 4.1Å; Y865-L868 VanDerWaalsContact O-CB 3.29Å; Y865-L868 WeakPolarHBondContact O-CB 3.42Å; Y865-L868 PolarHBondContact O-N 2.66Å; H866-L868 PolarHBondContact O-N 2.95Å; L868-Q871 PolarHBondContact O-N 3.07Å; L868-F872 HydrophobicContact CD1-CD2 3.69Å; L868-F872 HydrophobicContact CD1-CE2 3.51Å; L868-F872 HydrophobicContact CG-CD2 4.33Å; L868-F872 WeakPolarHBondContact O-CD2 3.49Å; L868-F872 PolarHBondContact O-N 3.48Å
869	V	89.4	Confident	88.8	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-43.5	177.5	-176.6	0	0	0	0	111.1	L747 T749 T863 Y865 H866 N867 F872 N873 L880 P910	L747-V869 HydrophobicContact CD2-CG2 4.22Å; T749-V869 HydrophobicContact CG2-CG2 3.43Å; T749-V869 VanDerWaalsContact CG2-CG2 3.43Å; T863-V869 HydrophobicContact CG2-CG2 4.2Å; Y865-V869 PolarHBondContact O-N 3.03Å; H866-V869 WeakPolarHBondContact O-CB 3.41Å; H866-V869 PolarHBondContact O-N 3.39Å; H866-V869 VanDerWaalsContact O-N 3.1Å; N867-V869 VanDerWaalsContact C-N 3.33Å; V869-F872 PolarHBondContact O-N 3.34Å; V869-N873 PolarHBondContact O-N 2.87Å; V869-N873 VanDerWaalsContact O-N 3.07Å; V869-L880 HydrophobicContact CG1-CD1 3.81Å; V869-L880 HydrophobicContact CG1-CD2 4.05Å; V869-P910 HydrophobicContact CG1-CB 3.57Å
870	Q	87.4	Confident	88.6	Confident	109 Å²	109	48.2 Å²	48.2	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-42.5	176.1	-68.9	177.8	-4.2	0	0	111.9	H866 N867 F872 N873	H866-Q870 PolarHBondContact CD2-NE2 3.14Å; H866-Q870 VanDerWaalsContact CD2-NE2 3.32Å; H866-Q870 PolarHBondContact O-N 2.88Å; N867-Q870 PolarHBondContact O-N 3.33Å; Q870-F872 VanDerWaalsContact C-N 3.28Å; Q870-F872 PolarHBondContact O-N 3.4Å; Q870-N873 PolarHBondContact O-N 2.82Å
871	Q	89.6	Confident	88.4	Confident	117 Å²	117	48.2 Å²	48.2	55%	0.547	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-34.3	179.8	-173.8	-177.6	5.3	0	0	112.9	S845 N867 L868	S845-Q871 PolarHBondContact OG-NE2 3.15Å; S845-Q871 PolarHBondContact OG-OE1 3.02Å; N867-Q871 WeakPolarHBondContact O-CB 3.29Å; N867-Q871 PolarHBondContact O-N 3.44Å; L868-Q871 PolarHBondContact O-N 3.07Å
872	F	90.5	Very high	88.3	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-104.3	7.1	-176.1	-73.9	-87.9	0	0	0	114.1	L747 L848 K849 L868 V869 Q870 D874 H875 V878	L747-F872 HydrophobicContact CD2-CB 4.38Å; L848-F872 HydrophobicContact CD2-CD1 4.32Å; L848-F872 HydrophobicContact CD2-CD2 3.71Å; L848-F872 HydrophobicContact CD2-CE1 4.39Å; L848-F872 HydrophobicContact CD2-CE2 3.81Å; L848-F872 HydrophobicContact CD2-CG 3.98Å; L848-F872 HydrophobicContact CD2-CZ 4.14Å; L848-F872 HydrophobicContact CG-CE1 4.44Å; L848-F872 HydrophobicContact CG-CE2 4.4Å; L848-F872 HydrophobicContact CG-CZ 4.28Å; K849-F872 HydrophobicContact CB-CE1 4.46Å; K849-F872 HydrophobicContact CB-CZ 3.99Å; L868-F872 HydrophobicContact CD1-CD2 3.69Å; L868-F872 HydrophobicContact CD1-CE2 3.51Å; L868-F872 HydrophobicContact CG-CD2 4.33Å; L868-F872 WeakPolarHBondContact O-CD2 3.49Å; L868-F872 PolarHBondContact O-N 3.48Å; V869-F872 PolarHBondContact O-N 3.34Å; Q870-F872 VanDerWaalsContact C-N 3.28Å; Q870-F872 PolarHBondContact O-N 3.4Å; F872-D874 VanDerWaalsContact C-N 3.28Å; F872-D874 PolarHBondContact O-N 3.13Å; F872-H875 HydrophobicContact CB-CB 4.31Å; F872-H875 HydrophobicContact CD1-CB 3.92Å; F872-H875 AromaticContact CD1-CD2 3.98Å; F872-H875 AromaticContact CD1-CG 3.83Å; F872-H875 WeakPolarHBondContact O-CB 3.15Å; F872-H875 PolarHBondContact O-N 3.24Å; F872-H875 VanDerWaalsContact O-N 3.15Å; F872-V878 HydrophobicContact CB-CB 4.33Å; F872-V878 HydrophobicContact CB-CG1 4.09Å; F872-V878 HydrophobicContact CD1-CB 4.25Å; F872-V878 HydrophobicContact CD1-CG2 3.73Å; F872-V878 HydrophobicContact CE1-CG2 4.31Å; F872-V878 HydrophobicContact CG-CG2 4.5Å
873	N	86.3	Confident	88.1	Confident	81 Å²	81	49.9 Å²	49.9	43%	0.433	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-40	-175.4	-172.5	75.5	0	0	0	113.4	V869 Q870 L880	V869-N873 PolarHBondContact O-N 2.87Å; V869-N873 VanDerWaalsContact O-N 3.07Å; Q870-N873 PolarHBondContact O-N 2.82Å; N873-L880 HydrophobicContact CB-CD1 4.21Å; N873-L880 WeakPolarHBondContact OD1-CD1 3.33Å
874	D	84.6	Confident	87.8	Confident	152 Å²	152	50.5 Å²	50.5	81%	0.813	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	15.4	-177.2	-54.2	-31.9	0	0	0	112.5	F872 H876	F872-D874 VanDerWaalsContact C-N 3.28Å; F872-D874 PolarHBondContact O-N 3.13Å; D874-H876 PolarHBondContact O-N 2.86Å
875	H	87.7	Confident	87.4	Confident	33 Å²	33	47.3 Å²	47.3	15%	0.153	24%	0.236	C	C	.	.			trans	-82.8	115.2	-174	-168.1	-80	0	0	0	112	E853 F872 L877 V878	E853-H875 IonicContact OE1-NE2 2.71Å; E853-H875 PolarHBondContact OE1-NE2 3.28Å; F872-H875 HydrophobicContact CB-CB 4.31Å; F872-H875 HydrophobicContact CD1-CB 3.92Å; F872-H875 AromaticContact CD1-CD2 3.98Å; F872-H875 AromaticContact CD1-CG 3.83Å; F872-H875 WeakPolarHBondContact O-CB 3.15Å; F872-H875 PolarHBondContact O-N 3.24Å; F872-H875 VanDerWaalsContact O-N 3.15Å; H875-L877 PolarHBondContact ND1-N 2.89Å; H875-L877 PolarHBondContact O-N 3.38Å; H875-V878 HydrophobicContact CB-CB 4.21Å; H875-V878 HydrophobicContact CB-CG2 4.48Å; H875-V878 PolarHBondContact O-N 2.85Å
876	H	85.6	Confident	86.9	Confident	133 Å²	133	47.3 Å²	47.3	62%	0.616	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.1	-175.7	71.1	-74.2	0	0	0	117.1	V742 D874	V742-H876 VanDerWaalsContact CG1-O 3.29Å; V742-H876 WeakPolarHBondContact CG1-O 3.45Å; D874-H876 PolarHBondContact O-N 2.86Å
877	L	87.4	Confident	86.3	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-3.1	175.1	-57.1	172.2	0	0	0	114.1	G743 P744 V745 A852 H875	G743-L877 WeakPolarHBondContact CA-O 3.15Å; P744-L877 VanDerWaalsContact CD-O 3.27Å; P744-L877 WeakPolarHBondContact CD-O 3.41Å; V745-L877 PolarHBondContact N-O 2.92Å; A852-L877 HydrophobicContact CB-CB 4.47Å; A852-L877 WeakPolarHBondContact O-CD1 3.45Å; H875-L877 PolarHBondContact ND1-N 2.89Å; H875-L877 PolarHBondContact O-N 3.38Å
878	V	89	Confident	85.3	Confident	5 Å²	5	44 Å²	44	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.7	-178.4	179.4	0	0	0	0	108.6	V745 L747 A852 F872 H875	V745-V878 HydrophobicContact CB-CG2 4.28Å; V745-V878 HydrophobicContact CG1-CG2 4.47Å; L747-V878 HydrophobicContact CB-CG1 3.77Å; A852-V878 HydrophobicContact CB-CG2 3.9Å; F872-V878 HydrophobicContact CB-CB 4.33Å; F872-V878 HydrophobicContact CB-CG1 4.09Å; F872-V878 HydrophobicContact CD1-CB 4.25Å; F872-V878 HydrophobicContact CD1-CG2 3.73Å; F872-V878 HydrophobicContact CE1-CG2 4.31Å; F872-V878 HydrophobicContact CG-CG2 4.5Å; H875-V878 HydrophobicContact CB-CB 4.21Å; H875-V878 HydrophobicContact CB-CG2 4.48Å; H875-V878 PolarHBondContact O-N 2.85Å
879	Q	88.4	Confident	84	Confident	18 Å²	18	48.4 Å²	48.4	8%	0.084	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.5	172.3	-178.3	170.8	47.3	0	0	110.6	I739 A740 V742 V745 L746 L747	I739-Q879 HydrophobicContact CG2-CG 4.28Å; A740-Q879 VanDerWaalsContact N-NE2 3.18Å; A740-Q879 PolarHBondContact O-NE2 3.16Å; A740-Q879 PolarHBondContact O-OE1 3.48Å; V742-Q879 WeakPolarHBondContact O-CB 3.33Å; V745-Q879 PolarHBondContact O-N 2.86Å; L746-Q879 CarbonylContact C-O 3.03Å; L746-Q879 WeakPolarHBondContact CA-O 3.41Å; L746-Q879 HydrophobicContact CD1-CG 4.44Å; L747-Q879 PolarHBondContact N-O 3.01Å
880	L	89.3	Confident	82.4	Confident	15 Å²	15	53.9 Å²	53.9	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	133.4	171.5	-57.4	-172.1	0	0	0	111	L747 V869 N873 G909 P910	L747-L880 HydrophobicContact CB-CD2 3.91Å; L747-L880 HydrophobicContact CD2-CD2 3.73Å; L747-L880 HydrophobicContact CG-CD2 4.2Å; V869-L880 HydrophobicContact CG1-CD1 3.81Å; V869-L880 HydrophobicContact CG1-CD2 4.05Å; N873-L880 HydrophobicContact CB-CD1 4.21Å; N873-L880 WeakPolarHBondContact OD1-CD1 3.33Å; L880-G909 PolarHBondContact O-N 2.84Å; L880-P910 HydrophobicContact CD1-CB 4.16Å; L880-P910 HydrophobicContact CD1-CG 4.26Å
881	G	89.1	Confident	81	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.1	167.7	0	0	0	0	0	111.4	L747 L748 T749 A907 G909	L747-G881 PolarHBondContact O-N 2.85Å; L748-G881 CarbonylContact C-O 3.57Å; L748-G881 WeakPolarHBondContact CA-O 3.23Å; T749-G881 PolarHBondContact N-O 3.38Å; T749-G881 PolarHBondContact OG1-O 2.9Å; G881-A907 CarbonylContact C-O 3.57Å; G881-A907 WeakPolarHBondContact CA-O 3.3Å; G881-G909 CarbonylContact C-O 3.56Å; G881-G909 VanDerWaalsContact C-O 3.28Å; G881-G909 WeakPolarHBondContact CA-O 3.04Å
882	H	90.1	Very high	79.3	Confident	29 Å²	29	50.5 Å²	50.5	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	154.2	175.7	70.4	-80.3	0	0	0	112.5	T749 A884 A907 P908 G909 C911	T749-H882 CarbonylContact O-C 3.57Å; T749-H882 WeakPolarHBondContact O-CA 3.49Å; T749-H882 WeakPolarHBondContact OG1-CB 3.47Å; H882-A884 PolarHBondContact O-N 2.82Å; H882-A907 PolarHBondContact N-O 3.4Å; H882-A907 PolarHBondContact ND1-O 3.37Å; H882-A907 PolarHBondContact O-N 2.74Å; H882-P908 PolarHBondContact CE1-O 3.02Å; H882-P908 PolarHBondContact ND1-O 3.27Å; H882-G909 PolarHBondContact N-O 3.05Å; H882-G909 PolarHBondContact ND1-O 3.04Å; H882-C911 HydrophobicContact CB-CB 3.93Å
883	M	88.7	Confident	77.6	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.03	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	113.4	169.5	-65.6	-55.8	-67.1	0	0	109.6	L748 T749 G754 K756 L759 Y904 L906	L748-M883 HydrophobicContact CD1-CG 4.42Å; T749-M883 PolarHBondContact O-N 3.32Å; G754-M883 VanDerWaalsContact O-CB 3.3Å; G754-M883 WeakPolarHBondContact O-CB 3.07Å; G754-M883 WeakPolarHBondContact O-CE 3.44Å; G754-M883 WeakPolarHBondContact O-CG 3.39Å; K756-M883 HydrophobicContact CG-CG 3.8Å; L759-M883 HydrophobicContact CD2-SD 3.9Å; M883-Y904 VanDerWaalsContact CE-C 3.49Å; M883-L906 HydrophobicContact SD-CB 4.47Å; M883-L906 HydrophobicContact SD-CD1 4.42Å
884	A	84.8	Confident	76.1	Confident	16 Å²	16	56.6 Å²	56.6	13%	0.132	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.1	-174.4	0	0	0	0	0	111.9	H882 L903 K905 A907	H882-A884 PolarHBondContact O-N 2.82Å; A884-L903 HydrophobicContact CB-CB 4.33Å; A884-L903 HydrophobicContact CB-CD1 4.08Å; A884-L903 WeakPolarHBondContact O-CB 3.37Å; A884-L903 PolarHBondContact O-N 3.16Å; A884-L903 VanDerWaalsContact O-N 3.1Å; A884-K905 WeakPolarHBondContact CB-O 3.45Å; A884-K905 PolarHBondContact N-O 3.2Å; A884-A907 HydrophobicContact CB-CB 4.11Å
885	C	79.3	Confident	74.7	Confident	21 Å²	21	50.5 Å²	50.5	14%	0.142	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.9	175.3	-59.9	0	0	0	0	107.8	V900 T901 Y915	C885-V900 HydrophobicContact CB-CG1 4.03Å; C885-T901 WeakPolarHBondContact CA-O 3.32Å; C885-Y915 HydrophobicContact CB-CD2 4.28Å; C885-Y915 HydrophobicContact CB-CE2 3.89Å
886	A	78	Confident	73.1	Confident	37 Å²	37	50.8 Å²	50.8	31%	0.306	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.2	166.7	0	0	0	0	0	108.2	V900 T901 L903	A886-V900 WeakPolarHBondContact O-CA 3.45Å; A886-T901 PolarHBondContact N-O 3.38Å; A886-T901 PolarHBondContact O-N 3.48Å; A886-L903 HydrophobicContact CB-CD1 4.17Å; A886-L903 HydrophobicContact CB-CD2 3.94Å; A886-L903 HydrophobicContact CB-CG 4.13Å
887	V	71	Confident	71.6	Confident	25 Å²	25	49.9 Å²	49.9	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.4	175.9	-171.4	0	0	0	0	107.4	E890 E898 S899 V900 Y915	V887-E890 HydrophobicContact CB-CG 3.51Å; V887-E890 HydrophobicContact CG1-CG 3.52Å; V887-E890 HydrophobicContact CG2-CG 4.45Å; V887-E898 HydrophobicContact CG1-CB 4Å; V887-E898 HydrophobicContact CG1-CG 4.25Å; V887-S899 CarbonylContact C-O 3.58Å; V887-S899 WeakPolarHBondContact CA-O 3.38Å; V887-V900 HydrophobicContact CG1-CG2 4.38Å; V887-V900 HydrophobicContact CG2-CG2 4.29Å; V887-Y915 HydrophobicContact CG2-CD1 4.38Å; V887-Y915 HydrophobicContact CG2-CE1 3.49Å; V887-Y915 VanDerWaalsContact CG2-CE1 3.49Å
888	E	65.7	Low	70.3	Confident	110 Å²	110	50.1 Å²	50.1	51%	0.514	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	141	170.2	-67	173.1	164.1	0	0	108.7	E898 S899	E888-E898 WeakPolarHBondContact O-CA 3.43Å; E888-S899 PolarHBondContact N-O 3.44Å; E888-S899 PolarHBondContact O-N 3.09Å; E888-S899 VanDerWaalsContact O-N 3.12Å; E888-S899 PolarHBondContact OE2-OG 3.26Å
889	N	63.3	Low	69.2	Low	94 Å²	94	51.9 Å²	51.9	50%	0.503	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	35.7	-177.5	-47.1	-38.5	0	0	0	115.4	G891 L892 E897	N889-G891 PolarHBondContact O-N 3.46Å; N889-L892 HydrophobicContact CB-CD1 3.7Å; N889-E897 PolarHBondContact ND2-O 3.45Å
890	E	55.6	Low	68.3	Low	120 Å²	120	51.6 Å²	51.6	56%	0.561	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	124.1	172.1	-72.3	-162.9	139.2	0	0	111.4	V887	V887-E890 HydrophobicContact CB-CG 3.51Å; V887-E890 HydrophobicContact CG1-CG 3.52Å; V887-E890 HydrophobicContact CG2-CG 4.45Å
891	G	56.7	Low	67.8	Low	71 Å²	71	54 Å²	54	73%	0.732	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.7	4.9	173.6	0	0	0	0	0	116	N889	N889-G891 PolarHBondContact O-N 3.46Å
892	L	54.2	Low	67.3	Low	84 Å²	84	55.1 Å²	55.1	44%	0.44	32%	0.316	S	S	.	.			trans	-74.5	145.5	168	-72.7	170	0	0	0	111.2	N889 D894 E897	N889-L892 HydrophobicContact CB-CD1 3.7Å; L892-D894 PolarHBondContact O-N 3.41Å; L892-E897 HydrophobicContact CD1-CB 4.18Å; L892-E897 WeakPolarHBondContact CD1-OE2 3.44Å
893	D	54.4	Low	66.9	Low	151 Å²	151	57.7 Å²	57.7	81%	0.807	33%	0.33	S	S	*	.	S	Bend	trans	-60.1	-18.4	-177.4	-84	-37.2	0	0	0	113.2	R934	D893-R934 PolarHBondContact O-NH1 2.66Å; D893-R934 PolarHBondContact O-NH2 2.91Å
894	D	55.7	Low	66.6	Low	61 Å²	61	62.4 Å²	62.4	33%	0.326	35%	0.348	S	S	.	.			trans	-113.3	109.7	175.9	-154.1	6.3	0	0	0	114	L892 V896 E897 R934	L892-D894 PolarHBondContact O-N 3.41Å; D894-V896 PolarHBondContact O-N 3.34Å; D894-E897 PolarHBondContact O-N 3.09Å; D894-R934 VanDerWaalsContact CA-NH2 3.31Å; D894-R934 IonicContact OD1-CZ 3.18Å; D894-R934 IonicContact OD1-NH2 2.73Å; D894-R934 PolarHBondContact OD1-NH2 2.99Å
895	P	54.9	Low	66.6	Low	25 Å²	25	66 Å²	66	16%	0.162	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-7.5	179.2	24	-33.3	0	0	0	113.8	E897	P895-E897 VanDerWaalsContact C-N 3.27Å
896	V	54.5	Low	66.9	Low	39 Å²	39	67.2 Å²	67.2	24%	0.236	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-20.8	172.7	-170.8	0	0	0	0	111.5	D894 K921 C929	D894-V896 PolarHBondContact O-N 3.34Å; V896-K921 PolarHBondContact O-NZ 3.1Å; V896-C929 HydrophobicContact CG2-CB 3.8Å
897	E	53	Low	67.4	Low	114 Å²	114	66.5 Å²	66.5	53%	0.533	36%	0.36	S	S	.	.	S	Bend	trans	-87.8	-10.4	176.9	-62.7	-163.4	161.6	0	0	113.7	N889 L892 D894 P895 S899	N889-E897 PolarHBondContact ND2-O 3.45Å; L892-E897 HydrophobicContact CD1-CB 4.18Å; L892-E897 WeakPolarHBondContact CD1-OE2 3.44Å; D894-E897 PolarHBondContact O-N 3.09Å; P895-E897 VanDerWaalsContact C-N 3.27Å; E897-S899 PolarHBondContact O-N 3.1Å
898	E	61.6	Low	68.1	Low	12 Å²	12	69.9 Å²	69.9	6%	0.056	38%	0.383	C	S	.	.			trans	-68.8	115.8	174	-68.8	-177.3	162.4	0	0	110	V887 E888	V887-E898 HydrophobicContact CG1-CB 4Å; V887-E898 HydrophobicContact CG1-CG 4.25Å; E888-E898 WeakPolarHBondContact O-CA 3.43Å
899	S	65.4	Low	69.1	Low	42 Å²	42	65.8 Å²	65.8	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125	174.2	146.9	0	0	0	0	108.2	V887 E888 E897	V887-S899 CarbonylContact C-O 3.58Å; V887-S899 WeakPolarHBondContact CA-O 3.38Å; E888-S899 PolarHBondContact N-O 3.44Å; E888-S899 PolarHBondContact O-N 3.09Å; E888-S899 VanDerWaalsContact O-N 3.12Å; E888-S899 PolarHBondContact OE2-OG 3.26Å; E897-S899 PolarHBondContact O-N 3.1Å
900	V	70.1	Confident	70	Confident	11 Å²	11	63.8 Å²	63.8	7%	0.067	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.7	179.6	177.4	0	0	0	0	110.4	C885 A886 V887 F902 Y915 N918	C885-V900 HydrophobicContact CB-CG1 4.03Å; A886-V900 WeakPolarHBondContact O-CA 3.45Å; V887-V900 HydrophobicContact CG1-CG2 4.38Å; V887-V900 HydrophobicContact CG2-CG2 4.29Å; V900-F902 HydrophobicContact CG1-CD1 4.49Å; V900-F902 HydrophobicContact CG1-CE1 4.14Å; V900-F902 HydrophobicContact CG1-CZ 4.49Å; V900-Y915 HydrophobicContact CG1-CD1 4.4Å; V900-Y915 HydrophobicContact CG1-CG 4.46Å; V900-Y915 HydrophobicContact CG2-CD1 3.87Å; V900-Y915 HydrophobicContact CG2-CE1 4.45Å; V900-N918 HydrophobicContact CB-CB 3.85Å; V900-N918 HydrophobicContact CG2-CB 3.37Å; V900-N918 WeakPolarHBondContact CG2-ND2 3.38Å
901	T	76.8	Confident	71.3	Confident	66 Å²	66	58.8 Å²	58.8	41%	0.405	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122	172.7	-61.8	0	0	0	0	109.8	C885 A886 L903	C885-T901 WeakPolarHBondContact CA-O 3.32Å; A886-T901 PolarHBondContact N-O 3.38Å; A886-T901 PolarHBondContact O-N 3.48Å; T901-L903 PolarHBondContact O-N 3.02Å
902	F	79.1	Confident	72	Confident	23 Å²	23	59.7 Å²	59.7	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121	175.8	-58.9	-64.7	0	0	0	110.2	A751 M753 V900 Y904 A919 L922	A751-F902 HydrophobicContact CB-CE1 3.68Å; A751-F902 HydrophobicContact CB-CZ 4.35Å; M753-F902 HydrophobicContact CB-CE2 4.1Å; M753-F902 HydrophobicContact CB-CZ 4.38Å; V900-F902 HydrophobicContact CG1-CD1 4.49Å; V900-F902 HydrophobicContact CG1-CE1 4.14Å; V900-F902 HydrophobicContact CG1-CZ 4.49Å; F902-Y904 HydrophobicContact CB-CD2 4.45Å; F902-Y904 HydrophobicContact CB-CE1 4.28Å; F902-Y904 HydrophobicContact CB-CE2 3.99Å; F902-Y904 WeakPolarHBondContact O-CD2 3.41Å; F902-Y904 WeakPolarHBondContact O-CE2 3.47Å; F902-A919 HydrophobicContact CZ-CB 4.43Å; F902-L922 HydrophobicContact CE2-CD1 4.11Å
903	L	81.8	Confident	72.8	Confident	83 Å²	83	60 Å²	60	44%	0.435	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-13.9	-177.6	-61.5	177.2	0	0	0	113.1	A884 A886 T901 K905	A884-L903 HydrophobicContact CB-CB 4.33Å; A884-L903 HydrophobicContact CB-CD1 4.08Å; A884-L903 WeakPolarHBondContact O-CB 3.37Å; A884-L903 PolarHBondContact O-N 3.16Å; A884-L903 VanDerWaalsContact O-N 3.1Å; A886-L903 HydrophobicContact CB-CD1 4.17Å; A886-L903 HydrophobicContact CB-CD2 3.94Å; A886-L903 HydrophobicContact CB-CG 4.13Å; T901-L903 PolarHBondContact O-N 3.02Å; L903-K905 PolarHBondContact O-N 3.31Å; L903-K905 VanDerWaalsContact O-N 3.09Å
904	Y	82	Confident	73.3	Confident	105 Å²	105	56.9 Å²	56.9	41%	0.412	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.9	27.2	-175.7	-55	-78.4	0	0	0	114.2	L11 M753 M883 F902	L11-Y904 HydrophobicContact CD1-CG 4.36Å; L11-Y904 HydrophobicContact CD2-CD1 4.13Å; L11-Y904 HydrophobicContact CD2-CG 4.21Å; M753-Y904 VanDerWaalsContact O-CE1 3.32Å; M753-Y904 WeakPolarHBondContact O-CE1 3.3Å; M883-Y904 VanDerWaalsContact CE-C 3.49Å; F902-Y904 HydrophobicContact CB-CD2 4.45Å; F902-Y904 HydrophobicContact CB-CE1 4.28Å; F902-Y904 HydrophobicContact CB-CE2 3.99Å; F902-Y904 WeakPolarHBondContact O-CD2 3.41Å; F902-Y904 WeakPolarHBondContact O-CE2 3.47Å
905	K	85.1	Confident	74	Confident	92 Å²	92	54.4 Å²	54.4	40%	0.4	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136	176.4	-70.4	-173.1	-179.2	-171.6	0	110.3	A884 L903	A884-K905 WeakPolarHBondContact CB-O 3.45Å; A884-K905 PolarHBondContact N-O 3.2Å; L903-K905 PolarHBondContact O-N 3.31Å; L903-K905 VanDerWaalsContact O-N 3.09Å
906	L	86.8	Confident	74.6	Confident	46 Å²	46	55.3 Å²	55.3	24%	0.241	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.5	171.9	-178	60.1	0	0	0	109.4	L737 I739 L746 L748 L759 M883	L737-L906 HydrophobicContact CB-CD2 4.1Å; L737-L906 HydrophobicContact CD1-CD2 4.14Å; L737-L906 HydrophobicContact CD2-CD2 4.05Å; L737-L906 HydrophobicContact CG-CD2 4.34Å; I739-L906 HydrophobicContact CD1-CD1 4.37Å; I739-L906 HydrophobicContact CD1-CD2 3.26Å; I739-L906 HydrophobicContact CD1-CG 3.84Å; I739-L906 HydrophobicContact CG1-CD2 3.92Å; I739-L906 HydrophobicContact CG1-CG 4.47Å; L746-L906 HydrophobicContact CD2-CD2 4.34Å; L748-L906 HydrophobicContact CD1-CD1 3.5Å; L759-L906 HydrophobicContact CD2-CB 4.31Å; L759-L906 HydrophobicContact CD2-CD1 3.96Å; L759-L906 HydrophobicContact CD2-CD2 3.82Å; L759-L906 HydrophobicContact CD2-CG 4.26Å; M883-L906 HydrophobicContact SD-CB 4.47Å; M883-L906 HydrophobicContact SD-CD1 4.42Å
907	A	86.8	Confident	75.1	Confident	22 Å²	22	57.4 Å²	57.4	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.9	177.8	0	0	0	0	0	110.5	G881 H882 A884	G881-A907 CarbonylContact C-O 3.57Å; G881-A907 WeakPolarHBondContact CA-O 3.3Å; H882-A907 PolarHBondContact N-O 3.4Å; H882-A907 PolarHBondContact ND1-O 3.37Å; H882-A907 PolarHBondContact O-N 2.74Å; A884-A907 HydrophobicContact CB-CB 4.11Å
908	P	86.4	Confident	75.8	Confident	97 Å²	97	52.4 Å²	52.4	63%	0.63	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	154	177.3	30.1	-34.9	0	0	0	111.5	I739 H882	I739-P908 HydrophobicContact CG2-CB 4.35Å; H882-P908 PolarHBondContact CE1-O 3.02Å; H882-P908 PolarHBondContact ND1-O 3.27Å
909	G	86.3	Confident	76.1	Confident	24 Å²	24	52.6 Å²	52.6	25%	0.247	31%	0.307	C	S	.	.	S	Bend	trans	87.1	174.8	176.5	0	0	0	0	0	114.1	L880 G881 H882	L880-G909 PolarHBondContact O-N 2.84Å; G881-G909 CarbonylContact C-O 3.56Å; G881-G909 VanDerWaalsContact C-O 3.28Å; G881-G909 WeakPolarHBondContact CA-O 3.04Å; H882-G909 PolarHBondContact N-O 3.05Å; H882-G909 PolarHBondContact ND1-O 3.04Å
910	P	83.9	Confident	76.1	Confident	52 Å²	52	52.1 Å²	52.1	34%	0.338	31%	0.306	S	S	.	.			trans	-73.7	151.8	-179.6	31.2	-35.2	0	0	0	112.3	V869 L880	V869-P910 HydrophobicContact CG1-CB 3.57Å; L880-P910 HydrophobicContact CD1-CB 4.16Å; L880-P910 HydrophobicContact CD1-CG 4.26Å
911	C	81.9	Confident	76	Confident	15 Å²	15	56.3 Å²	56.3	10%	0.101	32%	0.323	C	S	.	.			trans	-60.8	124.4	171.1	-170.1	0	0	0	0	110.3	T749 H882 K913	T749-C911 WeakPolarHBondContact OG1-CB 3.31Å; T749-C911 PolarHBondContact OG1-N 3.4Å; T749-C911 VanDerWaalsContact OG1-N 3.13Å; H882-C911 HydrophobicContact CB-CB 3.93Å; C911-K913 PolarHBondContact O-N 3.35Å; C911-K913 PolarHBondContact SG-O 3.3Å
912	P	71.9	Confident	75.6	Confident	90 Å²	90	58.3 Å²	58.3	58%	0.584	33%	0.331	S	S	*	.	S	Bend	trans	-70.6	-27.7	-169.6	23.8	-32.2	0	0	0	113.9
913	K	70	Confident	75.1	Confident	90 Å²	90	60.7 Å²	60.7	39%	0.391	36%	0.355	S	S	.	.	S	Bend	trans	-145.6	160.5	177.4	-70.7	179.5	-177.6	165.8	0	111.6	C911 Y915	C911-K913 PolarHBondContact O-N 3.35Å; C911-K913 PolarHBondContact SG-O 3.3Å; K913-Y915 HydrophobicContact CB-CE1 4.19Å; K913-Y915 WeakPolarHBondContact O-CE2 3.5Å
914	S	65.6	Low	74.4	Confident	86 Å²	86	59.8 Å²	59.8	60%	0.601	37%	0.366	S	S	*	.			trans	-83	118.3	167.3	175.7	0	0	0	0	110.3	R937	S914-R937 PolarHBondContact O-NH2 2.83Å
915	Y	70.5	Confident	73.3	Confident	9 Å²	9	61 Å²	61	4%	0.035	38%	0.375	C	S	.	.			trans	-95	17.3	-178.4	-55.5	-70.6	0	0	0	113.9	A751 C885 V887 V900 K913 F917 N918 A919	A751-Y915 HydrophobicContact CB-CD2 4.41Å; C885-Y915 HydrophobicContact CB-CD2 4.28Å; C885-Y915 HydrophobicContact CB-CE2 3.89Å; V887-Y915 HydrophobicContact CG2-CD1 4.38Å; V887-Y915 HydrophobicContact CG2-CE1 3.49Å; V887-Y915 VanDerWaalsContact CG2-CE1 3.49Å; V900-Y915 HydrophobicContact CG1-CD1 4.4Å; V900-Y915 HydrophobicContact CG1-CG 4.46Å; V900-Y915 HydrophobicContact CG2-CD1 3.87Å; V900-Y915 HydrophobicContact CG2-CE1 4.45Å; K913-Y915 HydrophobicContact CB-CE1 4.19Å; K913-Y915 WeakPolarHBondContact O-CE2 3.5Å; Y915-F917 VanDerWaalsContact C-N 3.29Å; Y915-F917 PolarHBondContact O-N 3.19Å; Y915-N918 PolarHBondContact O-N 2.84Å; Y915-A919 PolarHBondContact O-N 2.84Å
916	G	67.4	Low	71.9	Confident	43 Å²	43	66 Å²	66	44%	0.443	40%	0.4	S	S	.	.	H	α-helix	trans	-56.7	-39	-176.1	0	0	0	0	0	114	N918 A920	G916-N918 VanDerWaalsContact C-N 3.34Å; G916-N918 PolarHBondContact O-N 3.43Å; G916-A920 PolarHBondContact O-N 3.07Å
917	F	65.4	Low	70.4	Confident	84 Å²	84	65.7 Å²	65.7	37%	0.368	40%	0.4	S	S	.	.	H	α-helix	trans	-64.4	-38.1	176.1	-70.1	-71.8	0	0	0	112.7	Y915 A920 K921 V927	Y915-F917 VanDerWaalsContact C-N 3.29Å; Y915-F917 PolarHBondContact O-N 3.19Å; F917-A920 PolarHBondContact O-N 3.25Å; F917-K921 PolarHBondContact O-N 3.17Å; F917-V927 HydrophobicContact CD1-CG1 3.91Å; F917-V927 HydrophobicContact CE1-CG1 4.44Å
918	N	66.7	Low	68.8	Low	8 Å²	8	75.7 Å²	75.7	4%	0.043	43%	0.433	C	S	.	.	H	α-helix	trans	-76	-35.9	-176.5	-58.8	-13.9	0	0	0	110.3	V900 Y915 G916 K921 L922	V900-N918 HydrophobicContact CB-CB 3.85Å; V900-N918 HydrophobicContact CG2-CB 3.37Å; V900-N918 WeakPolarHBondContact CG2-ND2 3.38Å; Y915-N918 PolarHBondContact O-N 2.84Å; G916-N918 VanDerWaalsContact C-N 3.34Å; G916-N918 PolarHBondContact O-N 3.43Å; N918-K921 PolarHBondContact O-N 3.06Å; N918-L922 PolarHBondContact O-N 3.39Å
919	A	67.5	Low	67.1	Low	16 Å²	16	72.6 Å²	72.6	13%	0.132	41%	0.413	C	S	.	.	H	α-helix	trans	-62.8	-40.4	168.6	0	0	0	0	0	112.4	F902 Y915 L922 A923	F902-A919 HydrophobicContact CZ-CB 4.43Å; Y915-A919 PolarHBondContact O-N 2.84Å; A919-L922 WeakPolarHBondContact O-CB 3.45Å; A919-L922 PolarHBondContact O-N 3.15Å; A919-A923 PolarHBondContact O-N 3.23Å
920	A	66.9	Low	65.4	Low	32 Å²	32	74.9 Å²	74.9	26%	0.264	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-38.6	176.3	0	0	0	0	0	112.4	G916 F917 A923 G924 H925 V927	G916-A920 PolarHBondContact O-N 3.07Å; F917-A920 PolarHBondContact O-N 3.25Å; A920-A923 PolarHBondContact O-N 3.19Å; A920-G924 PolarHBondContact O-N 3.44Å; A920-H925 WeakPolarHBondContact O-CB 3.49Å; A920-H925 PolarHBondContact O-N 3.01Å; A920-H925 VanDerWaalsContact O-N 3.15Å; A920-V927 HydrophobicContact CB-CG2 4.21Å
921	K	67.8	Low	63.9	Low	99 Å²	99	77.6 Å²	77.6	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-43.6	173.3	-171.6	-178.1	176.7	-171.7	0	111.6	V896 F917 N918 A923 G924	V896-K921 PolarHBondContact O-NZ 3.1Å; F917-K921 PolarHBondContact O-N 3.17Å; N918-K921 PolarHBondContact O-N 3.06Å; K921-A923 PolarHBondContact O-N 3.15Å; K921-G924 PolarHBondContact O-N 3.48Å
922	L	68.8	Low	62.2	Low	108 Å²	108	83.5 Å²	83.5	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-59.3	-33.1	173.6	-99.3	144.8	0	0	0	112.9	F902 N918 A919 G924	F902-L922 HydrophobicContact CE2-CD1 4.11Å; N918-L922 PolarHBondContact O-N 3.39Å; A919-L922 WeakPolarHBondContact O-CB 3.45Å; A919-L922 PolarHBondContact O-N 3.15Å; L922-G924 PolarHBondContact O-N 3.33Å
923	A	68.1	Low	61.1	Low	73 Å²	73	81.6 Å²	81.6	60%	0.603	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	3.9	174.5	0	0	0	0	0	114.2	A919 A920 K921	A919-A923 PolarHBondContact O-N 3.23Å; A920-A923 PolarHBondContact O-N 3.19Å; K921-A923 PolarHBondContact O-N 3.15Å
924	G	67.6	Low	59.8	Low	65 Å²	65	82.2 Å²	82.2	67%	0.67	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	9.1	176.7	0	0	0	0	0	115.2	A920 K921 L922	A920-G924 PolarHBondContact O-N 3.44Å; K921-G924 PolarHBondContact O-N 3.48Å; L922-G924 PolarHBondContact O-N 3.33Å
925	H	58	Low	58.6	Low	130 Å²	130	84.7 Å²	84.7	60%	0.602	46%	0.458	S	S	*	.			trans	-76.2	128.5	174.2	-75.5	-74.9	0	0	0	111.4	A920 V927	A920-H925 WeakPolarHBondContact O-CB 3.49Å; A920-H925 PolarHBondContact O-N 3.01Å; A920-H925 VanDerWaalsContact O-N 3.15Å; H925-V927 HydrophobicContact CB-CG2 4.29Å; H925-V927 PolarHBondContact O-N 3Å
926	Q	54.9	Low	57.4	Low	196 Å²	196	89.5 Å²	89.5	92%	0.916	49%	0.488	S	S	*	.			trans	-73.4	94.8	167.2	-76.7	-169.2	-7.9	0	0	109.8
927	V	56.5	Low	56	Low	41 Å²	41	91.8 Å²	91.8	25%	0.248	48%	0.484	C	S	.	.			trans	-88.4	108.5	176.8	-173.2	0	0	0	0	109	F917 A920 H925	F917-V927 HydrophobicContact CD1-CG1 3.91Å; F917-V927 HydrophobicContact CE1-CG1 4.44Å; A920-V927 HydrophobicContact CB-CG2 4.21Å; H925-V927 HydrophobicContact CB-CG2 4.29Å; H925-V927 PolarHBondContact O-N 3Å
928	R	52.1	Low	54.4	Low	232 Å²	232	91.5 Å²	91.5	88%	0.875	49%	0.491	S	S	*	.			trans	-88.1	109.7	164.8	-83.5	-175.2	179.4	177.5	0.7	109	T930	R928-T930 PolarHBondContact O-N 3.04Å
929	C	51.3	Low	52.7	Low	32 Å²	32	94.4 Å²	94.4	22%	0.216	51%	0.511	C	S	.	.			trans	-69.3	110.3	170.7	-88.9	0	0	0	0	109.7	V896	V896-C929 HydrophobicContact CG2-CB 3.8Å
930	T	51.7	Low	51	Low	71 Å²	71	97.5 Å²	97.5	44%	0.436	53%	0.532	S	S	.	.			trans	-85.6	157.5	167.3	58.3	0	0	0	0	110	R928 L932 T933 R934	R928-T930 PolarHBondContact O-N 3.04Å; T930-L932 PolarHBondContact O-N 3.27Å; T930-L932 VanDerWaalsContact O-N 3.11Å; T930-T933 PolarHBondContact N-OG1 3.16Å; T930-T933 PolarHBondContact O-N 3.19Å; T930-T933 PolarHBondContact O-OG1 3.24Å; T930-T933 PolarHBondContact OG1-OG1 2.83Å; T930-R934 PolarHBondContact O-N 3.38Å
931	P	51	Low	49.3	Very low	109 Å²	109	100.2 Å²	100.2	71%	0.708	55%	0.549	S	S	*	.	H	α-helix	trans	-53.7	-31.8	174.4	-25.5	33.6	0	0	0	112.9	T933 R934 H935	P931-T933 PolarHBondContact O-N 2.82Å; P931-R934 PolarHBondContact O-N 3.49Å; P931-H935 PolarHBondContact O-N 3.22Å; P931-H935 VanDerWaalsContact O-N 3.16Å
932	L	46.5	Very low	47.4	Very low	140 Å²	140	101.9 Å²	101.9	73%	0.733	56%	0.562	S	S	*	*	H	α-helix	trans	-60.6	-43.7	175.4	-133.8	91.9	0	0	0	112	T930 R934 H935 V936	T930-L932 PolarHBondContact O-N 3.27Å; T930-L932 VanDerWaalsContact O-N 3.11Å; L932-R934 VanDerWaalsContact C-N 3.31Å; L932-R934 PolarHBondContact O-N 3.41Å; L932-H935 PolarHBondContact O-N 3.4Å; L932-V936 PolarHBondContact O-N 3.11Å
933	T	48.3	Very low	45.5	Very low	50 Å²	50	107.3 Å²	107.3	31%	0.307	58%	0.576	S	S	.	*	H	α-helix	trans	-68.6	-25.6	177.6	30	0	0	0	0	113.7	T930 P931	T930-T933 PolarHBondContact N-OG1 3.16Å; T930-T933 PolarHBondContact O-N 3.19Å; T930-T933 PolarHBondContact O-OG1 3.24Å; T930-T933 PolarHBondContact OG1-OG1 2.83Å; P931-T933 PolarHBondContact O-N 2.82Å
934	R	43.2	Very low	43.6	Very low	102 Å²	102	116.5 Å²	116.5	39%	0.385	60%	0.603	S	S	.	*	H	α-helix	trans	-74.6	-36.5	172	-69.8	-172.8	-172.5	-179.7	5	112.2	D893 D894 T930 P931 L932 V936 R937	D893-R934 PolarHBondContact O-NH1 2.66Å; D893-R934 PolarHBondContact O-NH2 2.91Å; D894-R934 VanDerWaalsContact CA-NH2 3.31Å; D894-R934 IonicContact OD1-CZ 3.18Å; D894-R934 IonicContact OD1-NH2 2.73Å; D894-R934 PolarHBondContact OD1-NH2 2.99Å; T930-R934 PolarHBondContact O-N 3.38Å; P931-R934 PolarHBondContact O-N 3.49Å; L932-R934 VanDerWaalsContact C-N 3.31Å; L932-R934 PolarHBondContact O-N 3.41Å; R934-V936 VanDerWaalsContact C-N 3.35Å; R934-V936 PolarHBondContact O-N 2.68Å; R934-R937 WeakPolarHBondContact O-CB 3.42Å; R934-R937 PolarHBondContact O-N 2.94Å
935	H	41.5	Very low	42.4	Very low	138 Å²	138	119.1 Å²	119.1	64%	0.639	60%	0.599	S	S	*	*	H	α-helix	trans	-65	-34	179.4	-110	58.7	0	0	0	113.6	P931 L932 R937 C938 C939	P931-H935 PolarHBondContact O-N 3.22Å; P931-H935 VanDerWaalsContact O-N 3.16Å; L932-H935 PolarHBondContact O-N 3.4Å; H935-R937 PolarHBondContact O-N 2.97Å; H935-C938 PolarHBondContact O-N 3.25Å; H935-C938 VanDerWaalsContact O-N 3.15Å; H935-C939 PolarHBondContact O-N 3.27Å; H935-C939 VanDerWaalsContact O-N 3.17Å; H935-C939 PolarHBondContact O-SG 2.73Å
936	V	43.5	Very low	41.6	Very low	111 Å²	111	118.5 Å²	118.5	67%	0.673	60%	0.599	S	S	*	*	H	α-helix	trans	-63.8	-25.8	176.6	-179	0	0	0	0	111.9	L932 R934	L932-V936 PolarHBondContact O-N 3.11Å; R934-V936 VanDerWaalsContact C-N 3.35Å; R934-V936 PolarHBondContact O-N 2.68Å
937	R	38.1	Very low	40.8	Very low	91 Å²	91	114.2 Å²	114.2	34%	0.343	58%	0.582	S	S	.	*	H	α-helix	trans	-77	-28.3	175.2	-118.7	-175.2	-176.9	-176	2.3	113.7	S914 R934 H935 S940	S914-R937 PolarHBondContact O-NH2 2.83Å; R934-R937 WeakPolarHBondContact O-CB 3.42Å; R934-R937 PolarHBondContact O-N 2.94Å; H935-R937 PolarHBondContact O-N 2.97Å; R937-S940 PolarHBondContact O-OG 2.75Å; R937-S940 VanDerWaalsContact O-OG 3.1Å
938	C	32.1	Very low	39.9	Very low	78 Å²	78	118.5 Å²	118.5	53%	0.527	60%	0.601	S	S	.	*	H	α-helix	trans	-84	-23.9	175.6	-86.4	0	0	0	0	112.8	H935 S940 S941	H935-C938 PolarHBondContact O-N 3.25Å; H935-C938 VanDerWaalsContact O-N 3.15Å; C938-S940 PolarHBondContact O-N 2.83Å; C938-S941 PolarHBondContact O-N 3.04Å; C938-S941 VanDerWaalsContact O-N 3.07Å; C938-S941 PolarHBondContact O-OG 3.12Å
939	C	30.7	Very low	39.1	Very low	68 Å²	68	111.4 Å²	111.4	46%	0.459	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-68.8	-15.3	-179.5	-70.6	0	0	0	0	113.9	H935 S941 L942	H935-C939 PolarHBondContact O-N 3.27Å; H935-C939 VanDerWaalsContact O-N 3.17Å; H935-C939 PolarHBondContact O-SG 2.73Å; C939-S941 VanDerWaalsContact C-N 3.31Å; C939-L942 PolarHBondContact O-N 3.27Å
940	S	31.6	Very low	38.3	Very low	82 Å²	82	116.7 Å²	116.7	57%	0.573	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-77.4	-11.6	171.3	46.9	0	0	0	0	114.1	R937 C938	R937-S940 PolarHBondContact O-OG 2.75Å; R937-S940 VanDerWaalsContact O-OG 3.1Å; C938-S940 PolarHBondContact O-N 2.83Å
941	S	31.3	Very low	37.4	Very low	88 Å²	88	119.9 Å²	119.9	62%	0.615	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-94.2	-0.7	170.5	61	0	0	0	0	113.8	C938 C939	C938-S941 PolarHBondContact O-N 3.04Å; C938-S941 VanDerWaalsContact O-N 3.07Å; C938-S941 PolarHBondContact O-OG 3.12Å; C939-S941 VanDerWaalsContact C-N 3.31Å
942	L	29.6	Very low	36.3	Very low	135 Å²	135	120.8 Å²	120.8	71%	0.707	61%	0.614	S	S	*	*	S	Bend	trans	-90.2	6.6	176.7	-85.7	160	0	0	0	114.2	C939	C939-L942 PolarHBondContact O-N 3.27Å
943	Y	28.7	Very low	35.5	Very low	221 Å²	221	119.2 Å²	119.2	87%	0.867	60%	0.604	S	S	*	*			trans	-101.2	70.1	162.9	-82.7	-86.9	0	0	0	109.6
944	K	27	Very low	34.3	Very low	266 Å²	266	125.5 Å²	125.5	100%	1.157	63%	0.631	S	S	*	*			trans	-131	0	164.3	-107.7	-169.8	179.7	-176.4	0	109.4

Retrieved 944 of 944 residues in 588.3 ms (Link to these results)

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