A0A087YP11_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087YP11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 997 aa.

						>A0A087YP11_POEFO|A0A087YP11
LILTSFLHLSLPPSSGMHTSISEILKEKSLKPSRRSLPCLAQSQTHPINLNHFLSVPLSPDPKPDLDDLSQSISTSCSLLPPQTAQSEQKIDRCLSCSFLDMLPVPFRTEDVKDSYIEETEVSTCETRANPTFLLQKPVSRAKALLLQGKKQSDASGLLFRDGKKRIDYILVYKKSSPQVEKRCTFEKNLRAEGLMLEKEPSLTNNDIMFVKVHATWDTLCKYAEQMNIRMPFRKKCYFTDWRSKTLGRFHLRCQQIKDWLPKNPMKLDKEALPDLEETDCYTAPFSRARMHHFTINNRETFFSNSTRSRIVHHVLQRTKYEDGKSKMGINRLLGNNTYEAAFPPHEGGYKSRHPIKTHGAQNQRHLLYERWARWGIWYKYQPLDLIRRYFGEKIGLYFAWLGWYTGMLIPAALVGVFVFLYGLFTMDSSQVSKEICEANTTIMCPMCEESCKPWTLSDSCVFAKVTRLFDNGGTVFFAIFMAIWATVFLEFWKRRRAELTYDWDLIDWEEEEEELRPQFEAKYSRVERVNPISGKPEPFQPFSDKLSRLMVSVSGIFFMISLVLTAVFAVVVFRLIAMEKFASFNWDFIQKNWQFATSGTGVCINFMMIMSLNVVYEKVAYLLTNLEHPRTESEWENSFALKMFLFQFVNLNSSTFYIAFFLGRFAGRPGKYNKLFNRWRLEECHPSGCLIDLCLQMGVIMFFKQIWNNFMELGYPLLQNWWSRRKMKKGGGGGGGGQNVENKTQLPQWDKDWNLQPMNAHGLVDEYLEMVVLQFGFTTIFVAAFPLAPLLALLNNIIEIRLDAYKFVTQWRRPMPARATDIGIWHGILEGIGVLAVITNAFVIAITSDYIPRFVYAFKYGPCADKRPRHTDECLKGYMNSSLSVFDMWELKNSSEFRYCRYRDYRASPWSTPPYEFTLQFWHVLAARLAFIIVFEHLVFGIKSFIAYLIPDMPKDLCDRMRREKYLMQEMMYEAELEHLQKERKKNGRRYHHEWP
					

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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	L	33.5	Very low	25.8	Very low	188 Å²	188	153.8 Å²	153.8	98%	0.984	82%	0.819	S	S	*	*				0	-33.9	0	-82.7	169.7	0	0	0	114.6	T4	L1-T4 WeakPolarHBondContact CA-OG1 3.31Å; L1-T4 PolarHBondContact O-OG1 3.19Å
2	I	21.6	Very low	26.2	Very low	145 Å²	145	150.2 Å²	150.2	74%	0.744	81%	0.81	S	S	*	*			trans	-86.1	-36.6	167.9	-67.3	175.6	0	0	0	112.1	T4 S5	I2-T4 PolarHBondContact O-N 3.3Å; I2-T4 VanDerWaalsContact O-N 3.08Å; I2-S5 PolarHBondContact O-N 2.82Å
3	L	24.7	Very low	26.5	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-13.3	172.8	-95.3	81.1	0	0	0	114.8
4	T	26.7	Very low	26.4	Very low	100 Å²	100	147.1 Å²	147.1	61%	0.613	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-4.3	-174.9	35.2	0	0	0	0	114.2	L1 I2	L1-T4 WeakPolarHBondContact CA-OG1 3.31Å; L1-T4 PolarHBondContact O-OG1 3.19Å; I2-T4 PolarHBondContact O-N 3.3Å; I2-T4 VanDerWaalsContact O-N 3.08Å
5	S	24.5	Very low	26.4	Very low	94 Å²	94	145.6 Å²	145.6	66%	0.657	82%	0.822	S	S	*	*	S	Bend	trans	-105.1	3.9	-170.7	-59.3	0	0	0	0	115.2	I2	I2-S5 PolarHBondContact O-N 2.82Å
6	F	24.4	Very low	26.3	Very low	202 Å²	202	140.9 Å²	140.9	89%	0.886	82%	0.816	S	S	*	*	S	Bend	trans	-98.3	5.4	-177.4	-108.5	-79.1	0	0	0	114.9
7	L	26.9	Very low	26.2	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	82%	0.823	S	S	*	*	S	Bend	trans	-120.8	5.8	-168.9	-108.2	164.9	0	0	0	115.5
8	H	26.7	Very low	26.2	Very low	176 Å²	176	145.9 Å²	145.9	82%	0.815	82%	0.824	S	S	*	*			trans	-136.5	99.2	175.4	-91.6	-63.5	0	0	0	112.2
9	L	25	Very low	26.1	Very low	183 Å²	183	145.8 Å²	145.8	96%	0.958	83%	0.827	S	S	*	*			trans	-149.8	130	155.3	-118.6	142.2	0	0	0	109.1
10	S	26.2	Very low	26.1	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	82%	0.822	S	S	*	*			trans	-92.3	155.7	-150.7	-44.9	0	0	0	0	115.3
11	L	23.4	Very low	26	Very low	168 Å²	168	145.3 Å²	145.3	88%	0.88	83%	0.826	S	S	*	*			trans	-129.2	153.6	147	-86.6	169.6	0	0	0	109
12	P	30.2	Very low	25.7	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	81%	0.81	S	S	*	*			trans	-82.8	163.7	-160.2	32.8	-37.1	0	0	0	114.8
13	P	30.2	Very low	25.9	Very low	134 Å²	134	142.7 Å²	142.7	87%	0.87	82%	0.816	S	S	*	*			trans	-81.9	149.1	-175.5	33.2	-36	0	0	0	113.8
14	S	24.9	Very low	26	Very low	124 Å²	124	142.3 Å²	142.3	87%	0.867	81%	0.813	S	S	*	*			trans	-132.6	156	159.2	58.3	0	0	0	0	109.5
15	S	26.8	Very low	26	Very low	124 Å²	124	146 Å²	146	87%	0.867	83%	0.829	S	S	*	*			trans	-100.3	141.6	-160	55.9	0	0	0	0	115.5
16	G	25.1	Very low	26	Very low	71 Å²	71	150.8 Å²	150.8	73%	0.732	84%	0.837	S	S	*	*			trans	132.5	153.4	134.2	0	0	0	0	0	118.7
17	M	23.9	Very low	26	Very low	191 Å²	191	150.1 Å²	150.1	94%	0.941	84%	0.837	S	S	*	*			trans	76.5	147.2	161.6	-64.5	-174.3	67.8	0	0	120.2
18	H	26.1	Very low	25.8	Very low	181 Å²	181	152.3 Å²	152.3	84%	0.838	84%	0.84	S	S	*	*			trans	-88.7	156	-176	-64.6	-132.2	0	0	0	111.4
19	T	25.6	Very low	25.6	Very low	144 Å²	144	149.2 Å²	149.2	88%	0.883	84%	0.838	S	S	*	*			trans	-160.9	165.8	131.4	3.3	0	0	0	0	111.1
20	S	24.9	Very low	25.6	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	83%	0.834	S	S	*	*			trans	-77.5	145.1	-170.4	46.5	0	0	0	0	114.3	S22	S20-S22 PolarHBondContact O-N 3.31Å
21	I	25.4	Very low	25.5	Very low	177 Å²	177	152.9 Å²	152.9	91%	0.908	84%	0.84	S	S	*	*			trans	-86.9	107	170.9	-62.7	173	0	0	0	109.7
22	S	26.8	Very low	25.6	Very low	93 Å²	93	150.7 Å²	150.7	65%	0.65	84%	0.836	S	S	*	*			trans	-139.7	159.9	159.5	51.6	0	0	0	0	108.5	S20	S20-S22 PolarHBondContact O-N 3.31Å
23	E	26.5	Very low	25.3	Very low	184 Å²	184	151.3 Å²	151.3	86%	0.86	84%	0.843	S	S	*	*			trans	66.7	70.3	180	-53.1	-160.8	134.6	0	0	118.3
24	I	25.1	Very low	25	Very low	164 Å²	164	156.8 Å²	156.8	84%	0.841	85%	0.846	S	S	*	*			trans	-132.6	78.3	143.2	-49.9	-179.3	0	0	0	110.5
25	L	26.8	Very low	25	Very low	179 Å²	179	162.2 Å²	162.2	94%	0.937	85%	0.848	S	S	*	*			trans	-111.3	103.4	153	-98.6	171	0	0	0	107.5
26	K	24.5	Very low	25	Very low	193 Å²	193	161.5 Å²	161.5	84%	0.839	84%	0.842	S	S	*	*			trans	-137.6	104.2	178.5	-145.2	164.4	-166	164	0	109.8
27	E	24.8	Very low	25.1	Very low	188 Å²	188	166.4 Å²	166.4	88%	0.879	85%	0.851	S	S	*	*			trans	-62.8	146.6	-178.9	-63.2	179.9	109.2	0	0	111.7	S29	E27-S29 PolarHBondContact O-N 3Å; E27-S29 VanDerWaalsContact O-N 3.16Å
28	K	23.5	Very low	25.5	Very low	205 Å²	205	162.7 Å²	162.7	89%	0.891	84%	0.841	S	S	*	*			trans	-78.6	98.4	172	-79.1	-177.2	174.5	178.1	0	109.7	L30	K28-L30 PolarHBondContact O-N 2.99Å; K28-L30 VanDerWaalsContact O-N 3.08Å
29	S	21.9	Very low	25.4	Very low	110 Å²	110	159.8 Å²	159.8	77%	0.769	84%	0.84	S	S	*	*			trans	-62.2	107	170.4	49	0	0	0	0	111.4	E27 K31	E27-S29 PolarHBondContact O-N 3Å; E27-S29 VanDerWaalsContact O-N 3.16Å; S29-K31 PolarHBondContact O-N 3.08Å
30	L	26.1	Very low	25.5	Very low	169 Å²	169	161.7 Å²	161.7	89%	0.885	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-72.8	118	168.7	-76.2	167.4	0	0	0	109.1	K28 P32	K28-L30 PolarHBondContact O-N 2.99Å; K28-L30 VanDerWaalsContact O-N 3.08Å; L30-P32 WeakPolarHBondContact O-CD 3.34Å
31	K	23.5	Very low	25.5	Very low	197 Å²	197	161.3 Å²	161.3	86%	0.857	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77	122.4	175.6	-69	-179.1	178.3	176.9	0	110.1	S29	S29-K31 PolarHBondContact O-N 3.08Å
32	P	25.4	Very low	25.7	Very low	123 Å²	123	162 Å²	162	80%	0.799	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73.6	135.9	168.1	30.3	-33.2	0	0	0	110.5	L30	L30-P32 WeakPolarHBondContact O-CD 3.34Å
33	S	23.2	Very low	25.6	Very low	123 Å²	123	163.1 Å²	163.1	86%	0.86	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-80.8	125.8	175.5	48.5	0	0	0	0	111	R35	S33-R35 PolarHBondContact O-N 3.44Å
34	R	25.3	Very low	25.5	Very low	248 Å²	248	162.3 Å²	162.3	94%	0.936	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-74.1	121.1	178.8	-74.6	178.1	167.5	-174.9	-4.3	111.6
35	R	24.7	Very low	25.5	Very low	239 Å²	239	160.7 Å²	160.7	90%	0.902	85%	0.848	S	S	*	*				-166.1	124.6	126.6	-112.8	171.2	178.8	171.9	0.3	114.8	S33	S33-R35 PolarHBondContact O-N 3.44Å
36	S	25.5	Very low	25.4	Very low	108 Å²	108	159.5 Å²	159.5	76%	0.755	84%	0.838	S	S	*	*			trans	48.7	89.1	151.4	56.7	0	0	0	0	119.5
37	L	27	Very low	25.6	Very low	175 Å²	175	156.1 Å²	156.1	92%	0.916	84%	0.835	S	S	*	*			trans	-93.1	134.3	141.2	-76.9	164.6	0	0	0	108.7
38	P	32.2	Very low	25.7	Very low	112 Å²	112	153.9 Å²	153.9	73%	0.727	83%	0.828	S	S	*	*			trans	-91.2	118.7	170	32.3	-29.2	0	0	0	112.4
39	C	24.8	Very low	25.8	Very low	120 Å²	120	151 Å²	151	81%	0.811	82%	0.822	S	S	*	*			trans	52.5	96.3	134.1	-53.7	0	0	0	0	119.8
40	L	27.1	Very low	26	Very low	184 Å²	184	153.7 Å²	153.7	96%	0.963	83%	0.827	S	S	*	*			trans	-92.6	125.4	132.7	-89.5	166.2	0	0	0	107.7
41	A	26.4	Very low	26	Very low	97 Å²	97	152.5 Å²	152.5	80%	0.802	82%	0.822	S	S	*	*			trans	-109.1	113.8	175.2	0	0	0	0	0	109.4
42	Q	28	Very low	26.1	Very low	191 Å²	191	150.7 Å²	150.7	89%	0.893	82%	0.816	S	S	*	*			trans	-91.4	116.5	167	-76.8	-178.9	-40.5	0	0	108.9	Q44	Q42-Q44 PolarHBondContact O-N 3.27Å
43	S	24.6	Very low	26.1	Very low	116 Å²	116	152 Å²	152	81%	0.811	81%	0.81	S	S	*	*			trans	-77.3	112.7	172.8	50.2	0	0	0	0	110.2
44	Q	25.7	Very low	26.2	Very low	167 Å²	167	153 Å²	153	78%	0.78	80%	0.804	S	S	*	*			trans	-83.7	126.7	169.5	-70.8	-179.8	-28.8	0	0	110.5	Q42	Q42-Q44 PolarHBondContact O-N 3.27Å
45	T	25.3	Very low	26.2	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	79%	0.789	S	S	*	*			trans	-128.2	103.1	162.6	50.3	0	0	0	0	109.1
46	H	24.6	Very low	26.4	Very low	154 Å²	154	140.8 Å²	140.8	71%	0.713	79%	0.787	S	S	*	*			trans	-70.7	151.7	170.7	-82	-83.2	0	0	0	111.6
47	P	27.1	Very low	27.2	Very low	122 Å²	122	140.9 Å²	140.9	79%	0.792	79%	0.785	S	S	*	*				-105.6	173	128.6	32	-32.4	0	0	0	112
48	I	27.1	Very low	27.1	Very low	140 Å²	140	140.3 Å²	140.3	72%	0.718	78%	0.782	S	S	*	*			trans	-126.2	155.5	-157.5	-73.5	169.7	0	0	0	111.5
49	N	25.7	Very low	26.9	Very low	144 Å²	144	140 Å²	140	77%	0.77	78%	0.783	S	S	*	*			trans	71.9	147.3	176.1	-64.8	-27.1	0	0	0	115.8
50	L	25.8	Very low	27.8	Very low	167 Å²	167	139.4 Å²	139.4	87%	0.874	78%	0.778	S	S	*	*			cis	-115.3	158.4	18	-91.3	78.4	0	0	0	115.5
51	N	26.9	Very low	27.9	Very low	145 Å²	145	137.9 Å²	137.9	78%	0.775	77%	0.77	S	S	*	*			trans	-110.7	146.9	165.8	-93.7	-27.1	0	0	0	110.7
52	H	25.3	Very low	28.7	Very low	158 Å²	158	139.4 Å²	139.4	73%	0.731	77%	0.772	S	S	*	*			trans	166.5	140.5	149.3	-95.5	-157.5	0	0	0	108.1
53	F	25	Very low	28.7	Very low	152 Å²	152	137.6 Å²	137.6	67%	0.667	76%	0.761	S	S	*	*			cis	-162	149.8	-4	-131.7	-21.9	0	0	0	110
54	L	25.9	Very low	29.5	Very low	143 Å²	143	138.1 Å²	138.1	75%	0.749	76%	0.762	S	S	*	*			trans	63.3	165.1	155.9	-56.4	165.6	0	0	0	119.3
55	S	26.1	Very low	29.6	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	75%	0.753	S	S	*	*				179.8	149.5	-74.4	52.9	0	0	0	0	112.5
56	V	27.8	Very low	29.7	Very low	142 Å²	142	136.9 Å²	136.9	86%	0.861	76%	0.755	S	S	*	*			trans	81.7	148.9	147.9	158.3	0	0	0	0	117.6
57	P	43.3	Very low	30	Very low	110 Å²	110	136.6 Å²	136.6	71%	0.714	76%	0.759	S	S	*	*			trans	-126.6	-163	-138.3	45.7	-33.2	0	0	0	114.5
58	L	25.3	Very low	29.9	Very low	163 Å²	163	137.7 Å²	137.7	85%	0.853	76%	0.758	S	S	*	*			trans	-169.2	162.8	151.9	-106.9	160.3	0	0	0	115.7
59	S	26.5	Very low	29.9	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	76%	0.758	S	S	*	*			trans	-166.1	170.6	169.3	-67.1	0	0	0	0	106.5
60	P	45	Very low	29.9	Very low	108 Å²	108	134.8 Å²	134.8	70%	0.701	75%	0.75	S	S	*	*			cis	-139.3	-178.3	9.8	45.4	-27.9	0	0	0	116.6
61	D	28.2	Very low	29.9	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	75%	0.748	S	S	*	*			trans	52.4	173	146.8	-59.8	-19.6	0	0	0	121.9
62	P	42.8	Very low	29.6	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	75%	0.745	S	S	*	*			cis	-128.5	-165.8	-8.6	29.4	-5.3	0	0	0	115.6
63	K	28.9	Very low	29.6	Very low	153 Å²	153	134.3 Å²	134.3	67%	0.665	75%	0.754	S	S	*	*			trans	-89.5	166.4	-179.7	-129.9	-170.1	178.7	-145.4	0	114	D65	K63-D65 WeakPolarHBondContact CE-OD1 3.47Å; K63-D65 IonicContact NZ-OD1 3.67Å; K63-D65 PolarHBondContact NZ-OD1 2.86Å; K63-D65 IonicContact NZ-OD2 2.75Å; K63-D65 PolarHBondContact NZ-OD2 2.89Å
64	P	41.3	Very low	29.5	Very low	127 Å²	127	131.3 Å²	131.3	83%	0.825	75%	0.751	S	S	*	*				-151.2	-167.4	91.6	40.2	-20	0	0	0	116.5
65	D	28.3	Very low	29.4	Very low	112 Å²	112	130.5 Å²	130.5	60%	0.599	75%	0.753	S	S	*	*			trans	-122	170.1	-163.5	-54.8	-88.5	0	0	0	115	K63	K63-D65 WeakPolarHBondContact CE-OD1 3.47Å; K63-D65 IonicContact NZ-OD1 3.67Å; K63-D65 PolarHBondContact NZ-OD1 2.86Å; K63-D65 IonicContact NZ-OD2 2.75Å; K63-D65 PolarHBondContact NZ-OD2 2.89Å
66	L	27.9	Very low	29.3	Very low	160 Å²	160	131 Å²	131	84%	0.838	76%	0.757	S	S	*	*			trans	-172.2	143.1	141.1	-127.3	73.1	0	0	0	116.5
67	D	29.3	Very low	29	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	76%	0.756	S	S	*	*			trans	-1.2	164.9	158.4	-51.8	-0.5	0	0	0	123.1
68	D	26.7	Very low	28.1	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	76%	0.757	S	S	*	*			cis	-164.4	-139.9	-34	-165.1	9.9	0	0	0	107.7
69	L	26.4	Very low	28.1	Very low	138 Å²	138	130 Å²	130	72%	0.723	76%	0.757	S	S	*	*			cis	-158.5	133.8	1.9	-177.5	64.2	0	0	0	113.2
70	S	24.5	Very low	28	Very low	86 Å²	86	132.5 Å²	132.5	60%	0.601	76%	0.761	S	S	*	*			trans	45.1	128.7	153.8	80.6	0	0	0	0	126.8
71	Q	25.7	Very low	28	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	76%	0.763	S	S	*	*				72.5	116.4	127.7	-69.8	-176.3	7.2	0	0	126.1
72	S	22.6	Very low	28.5	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	76%	0.762	S	S	*	*			trans	61.3	130.4	132.2	69.4	0	0	0	0	124.6
73	I	24.9	Very low	27.6	Very low	178 Å²	178	133.9 Å²	133.9	91%	0.913	76%	0.762	S	S	*	*				-165.6	170.9	126.4	-101.8	160.9	0	0	0	109.7
74	S	21.9	Very low	27.4	Very low	88 Å²	88	133.4 Å²	133.4	62%	0.615	77%	0.773	S	S	*	*			trans	-111.6	177.9	-157.5	62.7	0	0	0	0	117
75	T	24.6	Very low	26.6	Very low	127 Å²	127	131.3 Å²	131.3	78%	0.779	77%	0.766	S	S	*	*			trans	67.9	150	152.9	40.1	0	0	0	0	118.1
76	S	22.6	Very low	26.3	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	78%	0.778	S	S	*	*			cis	-168.9	-178.3	-10.3	47.7	0	0	0	0	111.5
77	C	23.1	Very low	26	Very low	127 Å²	127	132.3 Å²	132.3	86%	0.858	78%	0.775	S	S	*	*			trans	102.5	156.1	160.3	-61.7	0	0	0	0	118.5
78	S	23.2	Very low	25.7	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	78%	0.782	S	S	*	*			trans	-160.1	-178.6	-159.8	61.5	0	0	0	0	111.7
79	L	25.8	Very low	25.6	Very low	162 Å²	162	135.8 Å²	135.8	85%	0.848	78%	0.782	S	S	*	*			trans	99.8	153.1	167.7	-62.2	156.8	0	0	0	118.5
80	L	23.7	Very low	25.4	Very low	157 Å²	157	137.3 Å²	137.3	82%	0.822	78%	0.782	S	S	*	*			trans	-107.2	-169.3	-176.6	-64.3	80.5	0	0	0	109.6
81	P	46	Very low	25.5	Very low	113 Å²	113	139.8 Å²	139.8	73%	0.734	79%	0.788	S	S	*	*				-116.1	-150.3	-54.6	31.2	-10.3	0	0	0	109.1
82	P	38.5	Very low	25.5	Very low	122 Å²	122	137.2 Å²	137.2	79%	0.792	78%	0.779	S	S	*	*				-148.6	-163.4	72.5	39.4	-17.3	0	0	0	114.8
83	Q	24.3	Very low	25.5	Very low	182 Å²	182	143.2 Å²	143.2	85%	0.85	79%	0.787	S	S	*	*			trans	-113.3	153.5	173.1	-56.6	170.7	-17.4	0	0	110.6
84	T	23.4	Very low	25.4	Very low	144 Å²	144	139.7 Å²	139.7	88%	0.883	78%	0.776	S	S	*	*				-176.6	149.8	129	25.8	0	0	0	0	116.1
85	A	24.4	Very low	25.6	Very low	82 Å²	82	142.4 Å²	142.4	68%	0.678	78%	0.783	S	S	*	*			trans	50.5	105.8	141.2	0	0	0	0	0	124.6
86	Q	22.2	Very low	25.5	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	78%	0.78	S	S	*	*				59.9	134.2	116.3	-69.6	-178	-27.3	0	0	125.2
87	S	21.7	Very low	25.4	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	78%	0.783	S	S	*	*			trans	63.4	117.4	142.3	61.7	0	0	0	0	122.8
88	E	23.8	Very low	25.4	Very low	201 Å²	201	140.6 Å²	140.6	94%	0.939	78%	0.776	S	S	*	*				-153.8	-168.1	109	-120.8	-177.7	176.4	0	0	112.3
89	Q	24.2	Very low	25.4	Very low	164 Å²	164	145.6 Å²	145.6	77%	0.766	79%	0.785	S	S	*	*			trans	-143.5	171	-151.4	-154.5	-172.3	54.3	0	0	114.4
90	K	23.1	Very low	25.3	Very low	170 Å²	170	144.7 Å²	144.7	74%	0.739	78%	0.78	S	S	*	*			trans	77.8	154	162.1	-70.3	-173.8	176.6	179.5	0	116.7
91	I	26.3	Very low	25.3	Very low	139 Å²	139	143.7 Å²	143.7	71%	0.713	78%	0.776	S	S	*	*			cis	-166.8	159.4	-21	-115.5	170.2	0	0	0	105.4
92	D	24.2	Very low	24.3	Very low	125 Å²	125	147.6 Å²	147.6	67%	0.668	79%	0.786	S	S	*	*				-176.5	176	60.5	-152.9	-8.8	0	0	0	114.1
93	R	23.9	Very low	23.6	Very low	229 Å²	229	149 Å²	149	86%	0.864	79%	0.786	S	S	*	*			trans	117.6	73.8	154.9	-63.4	-165.1	173.2	-169.1	-1.9	119.5
94	C	23.1	Very low	23.6	Very low	103 Å²	103	146.5 Å²	146.5	70%	0.696	79%	0.786	S	S	*	*				25.6	150.2	107.6	-63.5	0	0	0	0	121.6
95	L	24.8	Very low	23.7	Very low	145 Å²	145	145.1 Å²	145.1	76%	0.759	78%	0.777	S	S	*	*			cis	-177.2	161.1	-21.1	-140.6	134.9	0	0	0	110.9
96	S	22.5	Very low	24.3	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	78%	0.777	S	S	*	*			trans	73.6	158.8	154.9	86.1	0	0	0	0	119.3
97	C	21.9	Very low	24.3	Very low	111 Å²	111	147.8 Å²	147.8	75%	0.75	78%	0.782	S	S	*	*			cis	-168.3	159.5	-22.8	-108.2	0	0	0	0	113.3
98	S	21.8	Very low	24.3	Very low	103 Å²	103	153.4 Å²	153.4	72%	0.72	79%	0.786	S	S	*	*			trans	60.3	136	149.2	-54.7	0	0	0	0	123.5
99	F	23.3	Very low	24.3	Very low	210 Å²	210	150.1 Å²	150.1	92%	0.921	78%	0.78	S	S	*	*				-168.7	-176.2	113.8	-117.4	-84.8	0	0	0	113
100	L	23.6	Very low	24.3	Very low	143 Å²	143	151.2 Å²	151.2	75%	0.749	79%	0.785	S	S	*	*			trans	-115.6	168.1	-154.9	-122.2	78.5	0	0	0	117.4
101	D	24.3	Very low	24.3	Very low	135 Å²	135	148.5 Å²	148.5	72%	0.722	78%	0.779	S	S	*	*			trans	-16.9	147.6	167.2	-54.4	-44.7	0	0	0	122.4
102	M	24.7	Very low	24.2	Very low	195 Å²	195	149 Å²	149	96%	0.961	79%	0.788	S	S	*	*				-174.9	165.3	111.3	-97.8	-164.6	-159.4	0	0	114.6
103	L	23.1	Very low	24.2	Very low	151 Å²	151	151 Å²	151	79%	0.791	79%	0.791	S	S	*	*			trans	-89.1	162.1	-176.7	-72.8	157.5	0	0	0	113.5	V105	L103-V105 HydrophobicContact CD2-CG2 4.06Å
104	P	25.5	Very low	24.1	Very low	130 Å²	130	147.5 Å²	147.5	84%	0.844	79%	0.789	S	S	*	*				-144	177.7	98.6	37.9	-22.1	0	0	0	115.8
105	V	25.1	Very low	24.1	Very low	115 Å²	115	147.5 Å²	147.5	70%	0.697	79%	0.79	S	S	*	*			trans	-152.3	161.6	-166.9	-169.9	0	0	0	0	108.4	L103	L103-V105 HydrophobicContact CD2-CG2 4.06Å
106	P	37.1	Very low	24.1	Very low	105 Å²	105	151.5 Å²	151.5	68%	0.682	80%	0.797	S	S	*	*			cis	-120.5	-172.2	-45.7	39.6	-25.4	0	0	0	112
107	F	22.4	Very low	24.1	Very low	217 Å²	217	153.2 Å²	153.2	95%	0.952	80%	0.797	S	S	*	*			trans	-148.7	153.7	140.3	-117.2	-82.8	0	0	0	111.5
108	R	21.7	Very low	24.1	Very low	227 Å²	227	156.3 Å²	156.3	86%	0.857	80%	0.8	S	S	*	*			trans	-99.9	152.6	-173.7	-72.9	175	166.4	168.3	-5.3	112.8
109	T	24.4	Very low	24.2	Very low	132 Å²	132	159.6 Å²	159.6	81%	0.81	80%	0.804	S	S	*	*				-161.9	119.4	119.7	23.2	0	0	0	0	112.7
110	E	24.1	Very low	24.2	Very low	187 Å²	187	155 Å²	155	87%	0.874	79%	0.793	S	S	*	*			trans	58.9	129.6	148.5	-53.4	-166.8	147.6	0	0	122.9
111	D	22.2	Very low	24.3	Very low	113 Å²	113	156.5 Å²	156.5	60%	0.604	80%	0.797	S	S	*	*			trans	-87.5	146.2	179.4	-64.9	-111.6	0	0	0	113.7	K113	D111-K113 HydrophobicContact CB-CG 4.48Å; D111-K113 VanDerWaalsContact OD1-CE 3.24Å; D111-K113 WeakPolarHBondContact OD1-CE 3.14Å; D111-K113 IonicContact OD1-NZ 2.89Å; D111-K113 PolarHBondContact OD1-NZ 2.89Å
112	V	25.6	Very low	24.4	Very low	150 Å²	150	156.4 Å²	156.4	91%	0.909	80%	0.8	S	S	*	*			trans	-129.7	112.8	137.6	-179.5	0	0	0	0	107.7
113	K	22.7	Very low	24.5	Very low	168 Å²	168	151.5 Å²	151.5	73%	0.73	79%	0.785	S	S	*	*			trans	-97.7	111.4	-175.6	-80.1	176.9	168	114.6	0	111.9	D111	D111-K113 HydrophobicContact CB-CG 4.48Å; D111-K113 VanDerWaalsContact OD1-CE 3.24Å; D111-K113 WeakPolarHBondContact OD1-CE 3.14Å; D111-K113 IonicContact OD1-NZ 2.89Å; D111-K113 PolarHBondContact OD1-NZ 2.89Å
114	D	23.4	Very low	24.8	Very low	154 Å²	154	150 Å²	150	82%	0.824	78%	0.783	S	S	*	*			trans	-99	115.4	148.4	-96.4	-38.8	0	0	0	108.1	Y116	D114-Y116 PolarHBondContact O-N 3.42Å
115	S	23	Very low	24.8	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	77%	0.769	S	S	*	*			trans	-82.5	108.7	-175.2	57.3	0	0	0	0	111.8	I117	S115-I117 PolarHBondContact O-N 2.92Å
116	Y	24.1	Very low	24.9	Very low	229 Å²	229	150.8 Å²	150.8	90%	0.898	78%	0.776	S	S	*	*			trans	-67.4	121.6	161.8	-80.1	-102.2	0	0	0	109.4	D114	D114-Y116 PolarHBondContact O-N 3.42Å
117	I	22.3	Very low	24.3	Very low	140 Å²	140	152.4 Å²	152.4	72%	0.718	78%	0.784	S	S	*	*			trans	-101.7	118.1	164.1	-62.1	177.2	0	0	0	106.6	S115 E119	S115-I117 PolarHBondContact O-N 2.92Å; I117-E119 HydrophobicContact CG2-CG 4.12Å; I117-E119 PolarHBondContact O-N 2.99Å
118	E	22.3	Very low	24.6	Very low	176 Å²	176	153.2 Å²	153.2	82%	0.822	78%	0.781	S	S	*	*			trans	-94.7	85	-178.7	-169.5	168.1	-142.2	0	0	109.9	T120	E118-T120 HydrophobicContact CG-CG2 4.32Å; E118-T120 PolarHBondContact O-N 3.28Å; E118-T120 VanDerWaalsContact O-N 3.1Å
119	E	23.2	Very low	24.9	Very low	171 Å²	171	147 Å²	147	80%	0.799	78%	0.777	S	S	*	*			trans	-75.8	94.8	174.2	-74.9	-172.4	152.9	0	0	110.9	I117 E121	I117-E119 HydrophobicContact CG2-CG 4.12Å; I117-E119 PolarHBondContact O-N 2.99Å; E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 2.96Å
120	T	24.5	Very low	24.8	Very low	113 Å²	113	147.6 Å²	147.6	69%	0.693	78%	0.776	S	S	*	*			trans	-74	72.9	174.5	52.7	0	0	0	0	112.5	E118 V122	E118-T120 HydrophobicContact CG-CG2 4.32Å; E118-T120 PolarHBondContact O-N 3.28Å; E118-T120 VanDerWaalsContact O-N 3.1Å; T120-V122 PolarHBondContact O-N 2.91Å
121	E	24.2	Very low	25.4	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.822	77%	0.769	S	S	*	*			trans	-74.1	86.9	166.6	-75.9	-154.6	142.4	0	0	111.4	E119 S123	E119-E121 VanDerWaalsContact C-N 3.29Å; E119-E121 PolarHBondContact O-N 2.96Å; E121-S123 PolarHBondContact O-N 3.42Å
122	V	26.2	Very low	25.6	Very low	132 Å²	132	145.1 Å²	145.1	80%	0.8	78%	0.779	S	S	*	*			trans	-75.2	79.5	167.1	-176.1	0	0	0	0	109.1	T120 T124	T120-V122 PolarHBondContact O-N 2.91Å; V122-T124 PolarHBondContact O-N 3.39Å; V122-T124 VanDerWaalsContact O-N 3.14Å
123	S	27.2	Very low	25.6	Very low	92 Å²	92	147.9 Å²	147.9	64%	0.643	78%	0.78	S	S	*	*			trans	-66	112.3	178.4	70.2	0	0	0	0	111	E121	E121-S123 PolarHBondContact O-N 3.42Å
124	T	29.1	Very low	25.8	Very low	121 Å²	121	147 Å²	147	74%	0.742	78%	0.782	S	S	*	*			trans	-61.5	146.9	173.1	41.4	0	0	0	0	111.6	V122 E126	V122-T124 PolarHBondContact O-N 3.39Å; V122-T124 VanDerWaalsContact O-N 3.14Å; T124-E126 PolarHBondContact O-N 2.91Å
125	C	25.4	Very low	26	Very low	81 Å²	81	146.8 Å²	146.8	55%	0.547	78%	0.78	S	S	.	*			trans	-90.6	100.7	170.8	-171.5	0	0	0	0	108.2	T127	C125-T127 PolarHBondContact O-N 3.04Å
126	E	28.2	Very low	26.1	Very low	180 Å²	180	151.6 Å²	151.6	84%	0.841	79%	0.791	S	S	*	*			trans	-60.7	120.1	-176.8	-68.7	-173.4	129.7	0	0	112.5	T124	T124-E126 PolarHBondContact O-N 2.91Å
127	T	25.3	Very low	26.1	Very low	139 Å²	139	149.9 Å²	149.9	85%	0.853	79%	0.789	S	S	*	*			trans	-79.9	143.2	169.3	-6.1	0	0	0	0	110.7	C125 A129	C125-T127 PolarHBondContact O-N 3.04Å; T127-A129 PolarHBondContact O-N 3.34Å
128	R	27.5	Very low	26.5	Very low	234 Å²	234	149.1 Å²	149.1	88%	0.883	79%	0.792	S	S	*	*			trans	-68.7	113.7	-173.8	-177.1	-177.3	-174.5	169.7	1.5	112.7
129	A	27.3	Very low	26.6	Very low	95 Å²	95	147.1 Å²	147.1	79%	0.785	79%	0.792	S	S	*	*			trans	-106	157.3	167.5	0	0	0	0	0	111.7	T127	T127-A129 PolarHBondContact O-N 3.34Å
130	N	24	Very low	26.7	Very low	146 Å²	146	143.9 Å²	143.9	78%	0.781	79%	0.788	S	S	*	*			trans	-93.6	162.3	-169.7	-82.1	-26.5	0	0	0	114.2
131	P	36.9	Very low	26.9	Very low	114 Å²	114	149.7 Å²	149.7	74%	0.74	80%	0.798	S	S	*	*			trans	-104.5	112	-163.9	36.4	-29.9	0	0	0	115.3
132	T	25.3	Very low	27.1	Very low	133 Å²	133	145 Å²	145	82%	0.816	79%	0.788	S	S	*	*			trans	-165.5	106.2	158.6	14.8	0	0	0	0	112.7
133	F	25.1	Very low	27	Very low	209 Å²	209	148 Å²	148	92%	0.917	79%	0.791	S	S	*	*				-177.3	171.2	115.9	-124.2	-100.2	0	0	0	111.7
134	L	27.6	Very low	26.9	Very low	150 Å²	150	147.4 Å²	147.4	79%	0.785	79%	0.791	S	S	*	*			trans	-122.3	160.2	-172	-86.6	173.1	0	0	0	114.2
135	L	26.9	Very low	26.9	Very low	148 Å²	148	148 Å²	148	78%	0.775	79%	0.79	S	S	*	*			trans	67.2	108.2	161	-96.7	74.8	0	0	0	119.6
136	Q	26.4	Very low	26.9	Very low	204 Å²	204	151.7 Å²	151.7	95%	0.953	80%	0.803	S	S	*	*				-145.3	169.3	118.3	-126.1	175.5	3.8	0	0	111.5
137	K	24.1	Very low	26.8	Very low	194 Å²	194	150.8 Å²	150.8	84%	0.843	80%	0.803	S	S	*	*			trans	-88.8	157.1	-159.4	-78.8	-178.9	177.7	176.8	0	114.8
138	P	29.2	Very low	26.9	Very low	123 Å²	123	152.4 Å²	152.4	80%	0.799	80%	0.801	S	S	*	*			trans	-89.7	146.6	-173.2	35.4	-35.9	0	0	0	114.3
139	V	24.9	Very low	26.7	Very low	134 Å²	134	144.7 Å²	144.7	81%	0.812	80%	0.795	S	S	*	*			trans	-140.2	149	170	-178.6	0	0	0	0	110.3
140	S	25.6	Very low	26.7	Very low	103 Å²	103	149.7 Å²	149.7	72%	0.72	80%	0.799	S	S	*	*			trans	65.3	36.8	161.8	69.7	0	0	0	0	122	A142	S140-A142 PolarHBondContact O-N 3.43Å
141	R	29.4	Very low	26.9	Very low	236 Å²	236	152.3 Å²	152.3	89%	0.891	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	26.5	165.1	-153.3	-174.3	179.6	172.3	1	114.9
142	A	26.8	Very low	26.5	Very low	76 Å²	76	156.8 Å²	156.8	63%	0.628	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-27.9	-170.8	0	0	0	0	0	114.9	S140	S140-A142 PolarHBondContact O-N 3.43Å
143	K	24.2	Very low	26.7	Very low	195 Å²	195	154.9 Å²	154.9	85%	0.848	81%	0.806	S	S	*	*	S	Bend	trans	-87.6	-15.9	-175.1	-93.4	-176.2	172.6	-179.6	0	115.5
144	A	26.8	Very low	27	Very low	80 Å²	80	151.6 Å²	151.6	66%	0.661	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-77	-18.6	-178.7	0	0	0	0	0	114.4
145	L	28.2	Very low	27.5	Very low	135 Å²	135	148.7 Å²	148.7	71%	0.707	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-86.4	-8.8	-170.6	-82.3	163.8	0	0	0	115.2
146	L	25.4	Very low	28.5	Very low	158 Å²	158	144.4 Å²	144.4	83%	0.827	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-97.6	-1.9	-175.2	-84.8	163.5	0	0	0	115.2
147	L	26	Very low	30.1	Very low	160 Å²	160	136 Å²	136	84%	0.838	75%	0.747	S	S	*	*	S	Bend	trans	-111.6	-5.4	-177.1	-99.3	147.6	0	0	0	115.1	G149	L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 2.63Å
148	Q	26.5	Very low	32.4	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	72%	0.716	S	S	*	*			trans	-85.4	12.8	174.1	-73.5	-171.7	-24.7	0	0	114.1	K150	Q148-K150 VanDerWaalsContact C-N 3.34Å; Q148-K150 PolarHBondContact O-N 2.73Å
149	G	25	Very low	34.9	Very low	73 Å²	73	125.4 Å²	125.4	75%	0.753	69%	0.692	S	S	*	*			trans	-74.6	-5.7	-172.4	0	0	0	0	0	117.3	L147	L147-G149 VanDerWaalsContact C-N 3.26Å; L147-G149 PolarHBondContact O-N 2.63Å
150	K	27.2	Very low	37.8	Very low	200 Å²	200	119.7 Å²	119.7	87%	0.87	66%	0.656	S	S	*	*	S	Bend	trans	-142.7	79.9	-176.6	-75.8	-172	175.1	178.7	0	114.1	Q148	Q148-K150 VanDerWaalsContact C-N 3.34Å; Q148-K150 PolarHBondContact O-N 2.73Å
151	K	27.5	Very low	40.3	Very low	201 Å²	201	123.2 Å²	123.2	87%	0.874	65%	0.654	S	S	*	*			trans	-177.3	84.8	147.7	-103.6	169.1	-177	-179.1	0	109.3
152	Q	29.7	Very low	42.4	Very low	208 Å²	208	116.3 Å²	116.3	97%	0.972	63%	0.634	S	S	*	*			trans	-131.4	55.9	174.6	-102.1	-173.8	1.6	0	0	111.8
153	S	28.4	Very low	44.7	Very low	93 Å²	93	114.8 Å²	114.8	65%	0.65	63%	0.626	S	S	*	*			trans	-144.7	128.7	163.5	46.5	0	0	0	0	106
154	D	32	Very low	47.2	Very low	139 Å²	139	113.9 Å²	113.9	74%	0.743	62%	0.622	S	S	*	*			cis	-128.6	156.1	12.3	-70.8	-59.4	0	0	0	114.2	S156	D154-S156 PolarHBondContact O-N 2.62Å
155	A	37.4	Very low	49.9	Very low	89 Å²	89	113.4 Å²	113.4	74%	0.736	61%	0.605	S	S	*	*			trans	-80	36.2	-176.3	0	0	0	0	0	114.5
156	S	47.9	Very low	52.6	Low	59 Å²	59	109.6 Å²	109.6	41%	0.413	58%	0.582	S	S	.	*			trans	-105.6	92.6	173.4	62.9	0	0	0	0	110.9	D154 L158	D154-S156 PolarHBondContact O-N 2.62Å; S156-L158 PolarHBondContact O-N 2.89Å
157	G	60.5	Low	55.7	Low	28 Å²	28	102.5 Å²	102.5	29%	0.289	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	49.4	179.5	0	0	0	0	0	114.4	Q749 W750	G157-Q749 WeakPolarHBondContact O-CB 3.31Å; G157-W750 VanDerWaalsContact O-CZ3 3.24Å; G157-W750 WeakPolarHBondContact O-CZ3 3.42Å
158	L	72.9	Confident	58.7	Low	39 Å²	39	94.9 Å²	94.9	20%	0.204	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-3.1	-179.2	-70.9	165.3	0	0	0	112.2	S156 I167 P345 H346 Q749	S156-L158 PolarHBondContact O-N 2.89Å; L158-I167 WeakPolarHBondContact O-CG1 3.26Å; L158-I167 PolarHBondContact O-N 2.96Å; L158-P345 HydrophobicContact CD2-CB 4.37Å; L158-H346 WeakPolarHBondContact CD2-O 3.42Å; L158-Q749 HydrophobicContact CD2-CG 4.32Å
159	L	81.7	Confident	61.8	Low	55 Å²	55	86.9 Å²	86.9	29%	0.288	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-111.7	158.1	179.6	-65.4	154.4	0	0	0	109.8	K165 R166	L159-K165 CarbonylContact C-O 3.5Å; L159-K165 VanDerWaalsContact CA-O 3.28Å; L159-K165 WeakPolarHBondContact CA-O 3.32Å; L159-R166 HydrophobicContact CD2-CB 4.26Å
160	F	84.5	Confident	65.1	Low	13 Å²	13	83.5 Å²	83.5	6%	0.057	43%	0.431	C	S	.	.			trans	-67.1	169.2	167	-79.7	41.6	0	0	0	109.8	D162 G163 K165 I167 M196 E198 K212 H214	F160-D162 PolarHBondContact O-N 2.9Å; F160-G163 PolarHBondContact O-N 3.39Å; F160-K165 HydrophobicContact CB-CB 3.96Å; F160-K165 HydrophobicContact CD1-CB 4.1Å; F160-K165 WeakPolarHBondContact CD1-O 3.47Å; F160-K165 HydrophobicContact CD2-CB 4.12Å; F160-K165 HydrophobicContact CD2-CD 4.03Å; F160-K165 HydrophobicContact CG-CB 3.8Å; F160-K165 HydrophobicContact CG-CD 4.48Å; F160-K165 PolarHBondContact N-O 3.01Å; F160-I167 HydrophobicContact CD1-CG1 3.88Å; F160-I167 HydrophobicContact CE1-CG1 4Å; F160-M196 HydrophobicContact CE2-CB 4.45Å; F160-E198 WeakPolarHBondContact CA-OE2 3.46Å; F160-E198 WeakPolarHBondContact CB-OE2 3.22Å; F160-E198 HydrophobicContact CD2-CB 3.68Å; F160-E198 HydrophobicContact CD2-CG 4.39Å; F160-E198 WeakPolarHBondContact CD2-OE2 3.49Å; F160-E198 HydrophobicContact CE2-CB 3.53Å; F160-E198 HydrophobicContact CG-CB 4.42Å; F160-E198 WeakPolarHBondContact CG-OE2 3.41Å; F160-E198 HydrophobicContact CZ-CB 4.15Å; F160-K212 HydrophobicContact CD1-CB 4.42Å; F160-K212 HydrophobicContact CD1-CD 4.46Å; F160-K212 HydrophobicContact CE1-CB 3.76Å; F160-K212 HydrophobicContact CZ-CB 3.98Å; F160-H214 HydrophobicContact CD1-CB 4.49Å; F160-H214 HydrophobicContact CE1-CB 3.61Å; F160-H214 HydrophobicContact CE2-CB 4.28Å; F160-H214 HydrophobicContact CZ-CB 3.49Å; F160-H214 VanDerWaalsContact CZ-CB 3.49Å
161	R	77.7	Confident	68.2	Low	178 Å²	178	74 Å²	74	67%	0.672	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.5	178.6	-70.4	175.4	175.8	-165.4	-2.1	113.8	G163 E198 E200	R161-G163 PolarHBondContact O-N 3.4Å; R161-E198 PolarHBondContact N-OE2 3.14Å; R161-E198 IonicContact NE-OE1 3.94Å; R161-E200 IonicContact CZ-OE1 2.75Å; R161-E200 IonicContact NE-OE1 2.69Å; R161-E200 PolarHBondContact NE-OE1 2.86Å; R161-E200 IonicContact NH2-OE1 3.18Å; R161-E200 PolarHBondContact NH2-OE1 2.96Å
162	D	74.7	Confident	71.2	Confident	90 Å²	90	64.4 Å²	64.4	48%	0.481	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.7	176.9	-51.2	-13.3	0	0	0	114.3	F160 K164 K165	F160-D162 PolarHBondContact O-N 2.9Å; D162-K164 PolarHBondContact O-N 3.41Å; D162-K164 VanDerWaalsContact O-N 3.11Å; D162-K165 WeakPolarHBondContact OD2-CD 3.33Å; D162-K165 WeakPolarHBondContact OD2-CE 3.35Å; D162-K165 IonicContact OD2-NZ 2.84Å; D162-K165 PolarHBondContact OD2-NZ 2.98Å
163	G	73.8	Confident	74.1	Confident	45 Å²	45	55.3 Å²	55.3	46%	0.464	31%	0.306	S	S	.	.	S	Bend	trans	70.2	-4.2	-172.9	0	0	0	0	0	115.4	F160 R161	F160-G163 PolarHBondContact O-N 3.39Å; R161-G163 PolarHBondContact O-N 3.4Å
164	K	77.9	Confident	77	Confident	176 Å²	176	54.4 Å²	54.4	77%	0.765	29%	0.29	S	S	*	.	S	Bend	trans	-105.6	-44.8	-177.5	-62.7	-177	-179.9	-177.4	0	114.2	D162	D162-K164 PolarHBondContact O-N 3.41Å; D162-K164 VanDerWaalsContact O-N 3.11Å
165	K	83.2	Confident	79.3	Confident	70 Å²	70	52.8 Å²	52.8	30%	0.304	28%	0.276	S	S	.	.	S	Bend	trans	-81.8	130.7	-175.8	-58.4	161	-173.6	154	0	109.8	L159 F160 D162 M196	L159-K165 CarbonylContact C-O 3.5Å; L159-K165 VanDerWaalsContact CA-O 3.28Å; L159-K165 WeakPolarHBondContact CA-O 3.32Å; F160-K165 HydrophobicContact CB-CB 3.96Å; F160-K165 HydrophobicContact CD1-CB 4.1Å; F160-K165 WeakPolarHBondContact CD1-O 3.47Å; F160-K165 HydrophobicContact CD2-CB 4.12Å; F160-K165 HydrophobicContact CD2-CD 4.03Å; F160-K165 HydrophobicContact CG-CB 3.8Å; F160-K165 HydrophobicContact CG-CD 4.48Å; F160-K165 PolarHBondContact N-O 3.01Å; D162-K165 WeakPolarHBondContact OD2-CD 3.33Å; D162-K165 WeakPolarHBondContact OD2-CE 3.35Å; D162-K165 IonicContact OD2-NZ 2.84Å; D162-K165 PolarHBondContact OD2-NZ 2.98Å; K165-M196 HydrophobicContact CD-SD 3.8Å; K165-M196 HydrophobicContact CG-SD 4.5Å
166	R	84.8	Confident	81.2	Confident	55 Å²	55	52.2 Å²	52.2	21%	0.208	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-94	139.1	-177	46.1	170.2	-75.4	157	4.6	112.9	L159 D168 H214 N305 R308	L159-R166 HydrophobicContact CD2-CB 4.26Å; R166-D168 IonicContact CZ-OD1 3.52Å; R166-D168 VanDerWaalsContact CZ-OD1 3.3Å; R166-D168 IonicContact NE-OD1 3.47Å; R166-D168 PolarHBondContact NE-OD1 3.02Å; R166-D168 IonicContact NH2-OD1 3.58Å; R166-D168 PolarHBondContact NH2-OD1 2.67Å; R166-D168 PolarHBondContact O-N 3.04Å; R166-H214 PolarHBondContact N-ND1 3.38Å; R166-H214 WeakPolarHBondContact O-CB 3.43Å; R166-H214 PolarHBondContact O-ND1 3.11Å; R166-N305 VanDerWaalsContact CZ-OD1 3.28Å; R166-N305 PolarHBondContact NH1-OD1 2.61Å; R166-N305 PolarHBondContact NH2-OD1 3.39Å; R166-R308 VanDerWaalsContact CZ-CD 3.47Å; R166-R308 VanDerWaalsContact CZ-NE 3.33Å
167	I	89.7	Confident	82.6	Confident	8 Å²	8	50 Å²	50	4%	0.041	25%	0.251	C	S	.	.			trans	-77.1	111.5	178.3	-52.7	168.4	0	0	0	108.8	L158 F160 Y169 I170 K212 P345 W750	L158-I167 WeakPolarHBondContact O-CG1 3.26Å; L158-I167 PolarHBondContact O-N 2.96Å; F160-I167 HydrophobicContact CD1-CG1 3.88Å; F160-I167 HydrophobicContact CE1-CG1 4Å; I167-Y169 WeakPolarHBondContact CG2-O 3.29Å; I167-I170 HydrophobicContact CG2-CG1 3.93Å; I167-K212 HydrophobicContact CD1-CD 3.67Å; I167-K212 HydrophobicContact CD1-CG 3.94Å; I167-K212 HydrophobicContact CG1-CB 4.21Å; I167-K212 HydrophobicContact CG1-CD 4.03Å; I167-K212 HydrophobicContact CG1-CG 4.18Å; I167-K212 HydrophobicContact CG2-CB 4.22Å; I167-K212 HydrophobicContact CG2-CG 4.45Å; I167-P345 HydrophobicContact CB-CG 4.48Å; I167-P345 HydrophobicContact CG2-CG 4.13Å; I167-P345 WeakPolarHBondContact O-CG 3.33Å; I167-W750 HydrophobicContact CD1-CE3 3.55Å; I167-W750 HydrophobicContact CD1-CZ3 3.49Å; I167-W750 VanDerWaalsContact CD1-CZ3 3.49Å
168	D	90.1	Very high	83.2	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.274	C	S	.	.			trans	-96	-23.3	177.4	-62.3	-56.9	0	0	0	112	R166 V213 H214 A215 R308 S309 V312	R166-D168 IonicContact CZ-OD1 3.52Å; R166-D168 VanDerWaalsContact CZ-OD1 3.3Å; R166-D168 IonicContact NE-OD1 3.47Å; R166-D168 PolarHBondContact NE-OD1 3.02Å; R166-D168 IonicContact NH2-OD1 3.58Å; R166-D168 PolarHBondContact NH2-OD1 2.67Å; R166-D168 PolarHBondContact O-N 3.04Å; D168-V213 PolarHBondContact N-O 3.07Å; D168-H214 IonicContact OD2-ND1 3.02Å; D168-H214 PolarHBondContact OD2-ND1 2.96Å; D168-A215 PolarHBondContact OD2-N 3.27Å; D168-A215 VanDerWaalsContact OD2-N 3.13Å; D168-R308 IonicContact OD1-CZ 3.25Å; D168-R308 IonicContact OD1-NE 2.75Å; D168-R308 PolarHBondContact OD1-NE 3.08Å; D168-R308 IonicContact OD1-NH2 3.39Å; D168-R308 IonicContact OD2-CZ 2.73Å; D168-R308 IonicContact OD2-NE 3.99Å; D168-R308 PolarHBondContact OD2-NE 3.16Å; D168-R308 IonicContact OD2-NH2 3.87Å; D168-R308 PolarHBondContact OD2-NH2 2.82Å; D168-S309 PolarHBondContact O-OG 3.16Å; D168-V312 HydrophobicContact CB-CG2 4.02Å
169	Y	92.1	Very high	83.5	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.02	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	156.6	179	-144.6	-87.8	0	0	0	111.9	I167 L171 V213 V312 H313 L316 A342 P344 M816	I167-Y169 WeakPolarHBondContact CG2-O 3.29Å; Y169-L171 HydrophobicContact CD1-CD2 3.91Å; Y169-L171 HydrophobicContact CE1-CD2 4.1Å; Y169-V213 PolarHBondContact N-O 3.37Å; Y169-V213 PolarHBondContact O-N 3.16Å; Y169-V312 HydrophobicContact CD2-CG1 4.33Å; Y169-V312 HydrophobicContact CG-CG1 4.04Å; Y169-H313 HydrophobicContact CE2-CB 4.04Å; Y169-H313 AromaticContact CE2-ND1 3.73Å; Y169-H313 AromaticContact CZ-ND1 3.55Å; Y169-H313 PolarHBondContact OH-ND1 3.11Å; Y169-L316 HydrophobicContact CD1-CD1 3.54Å; Y169-L316 HydrophobicContact CD2-CD1 4.47Å; Y169-L316 HydrophobicContact CE1-CD1 3.75Å; Y169-L316 HydrophobicContact CG-CD1 3.96Å; Y169-A342 HydrophobicContact CE1-CB 3.9Å; Y169-A342 PolarHBondContact OH-O 3.33Å; Y169-P344 HydrophobicContact CD2-CB 4.22Å; Y169-P344 HydrophobicContact CE2-CB 4.3Å; Y169-P344 HydrophobicContact CE2-CG 4.46Å; Y169-M816 HydrophobicContact CE2-SD 3.85Å
170	I	92.8	Very high	83.6	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.9	178.9	-61.1	151.6	0	0	0	110.2	I167 V172 F210 V211 A342 F343 P345 W750	I167-I170 HydrophobicContact CG2-CG1 3.93Å; I170-V172 HydrophobicContact CG2-CG2 4.34Å; I170-F210 HydrophobicContact CG2-CD1 4.11Å; I170-V211 WeakPolarHBondContact CA-O 3.42Å; I170-A342 CarbonylContact O-C 3.56Å; I170-A342 WeakPolarHBondContact O-CA 3.5Å; I170-F343 HydrophobicContact CB-CE2 4.45Å; I170-F343 HydrophobicContact CB-CZ 4.49Å; I170-F343 HydrophobicContact CD1-CD2 4.39Å; I170-F343 HydrophobicContact CD1-CE2 3.86Å; I170-F343 HydrophobicContact CD1-CZ 4.42Å; I170-F343 HydrophobicContact CG2-CE1 4.47Å; I170-F343 HydrophobicContact CG2-CZ 4.23Å; I170-F343 PolarHBondContact N-O 2.85Å; I170-F343 PolarHBondContact O-N 3.41Å; I170-P345 HydrophobicContact CD1-CB 3.78Å; I170-P345 HydrophobicContact CD1-CG 4.27Å; I170-W750 HydrophobicContact CD1-CB 3.45Å; I170-W750 VanDerWaalsContact CD1-CB 3.45Å; I170-W750 HydrophobicContact CG1-CB 4.15Å
171	L	92.6	Very high	83.6	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.4	167.5	-43.4	-176.1	0	0	0	110	Y169 L190 F210 V211 V213 L316 I330 Y339 A342	Y169-L171 HydrophobicContact CD1-CD2 3.91Å; Y169-L171 HydrophobicContact CE1-CD2 4.1Å; L171-L190 HydrophobicContact CD1-CD1 4.48Å; L171-F210 WeakPolarHBondContact O-CA 3.4Å; L171-V211 HydrophobicContact CB-CB 4.15Å; L171-V211 PolarHBondContact N-O 3.44Å; L171-V211 PolarHBondContact O-N 3.06Å; L171-V213 HydrophobicContact CG-CG2 4.16Å; L171-L316 HydrophobicContact CD1-CD2 4.13Å; L171-L316 HydrophobicContact CD2-CD1 4.06Å; L171-L316 HydrophobicContact CD2-CD2 4.18Å; L171-I330 HydrophobicContact CD1-CD1 4.27Å; L171-I330 HydrophobicContact CD2-CD1 3.53Å; L171-Y339 HydrophobicContact CB-CD1 3.81Å; L171-Y339 HydrophobicContact CB-CE1 3.66Å; L171-Y339 HydrophobicContact CD1-CD1 4.48Å; L171-Y339 HydrophobicContact CD1-CE1 3.8Å; L171-Y339 HydrophobicContact CD1-CE2 4.44Å; L171-Y339 HydrophobicContact CG-CE1 4.38Å; L171-A342 HydrophobicContact CD2-CB 3.76Å
172	V	91.8	Very high	83.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	179.9	-168.1	0	0	0	0	109.9	I170 I208 M209 F210 Y339 E340 A341 F343 W754	I170-V172 HydrophobicContact CG2-CG2 4.34Å; V172-I208 HydrophobicContact CG1-CG2 3.69Å; V172-M209 WeakPolarHBondContact CA-O 3.4Å; V172-F210 HydrophobicContact CG1-CD1 4.38Å; V172-F210 HydrophobicContact CG1-CE1 4.2Å; V172-F210 HydrophobicContact CG2-CD1 3.92Å; V172-F210 HydrophobicContact CG2-CE1 3.95Å; V172-Y339 CarbonylContact O-C 3.52Å; V172-Y339 WeakPolarHBondContact O-CA 3.24Å; V172-E340 PolarHBondContact O-N 3.18Å; V172-A341 HydrophobicContact CB-CB 4.5Å; V172-A341 HydrophobicContact CG2-CB 4.34Å; V172-A341 PolarHBondContact N-O 3.04Å; V172-F343 HydrophobicContact CG2-CE1 3.73Å; V172-F343 HydrophobicContact CG2-CZ 4.45Å; V172-W754 HydrophobicContact CB-CZ3 4.38Å; V172-W754 HydrophobicContact CG1-CD2 4.33Å; V172-W754 HydrophobicContact CG1-CE3 4.32Å; V172-W754 HydrophobicContact CG1-CH2 4.16Å; V172-W754 HydrophobicContact CG1-CZ2 4.14Å; V172-W754 HydrophobicContact CG1-CZ3 4.25Å; V172-W754 HydrophobicContact CG2-CD2 4.43Å; V172-W754 HydrophobicContact CG2-CE3 3.95Å; V172-W754 HydrophobicContact CG2-CZ3 4.23Å
173	Y	90.7	Very high	84.5	Confident	17 Å²	17	52.6 Å²	52.6	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157	172.7	70.3	-99.3	0	0	0	112.1	R183 M209 V211 Y339	Y173-R183 VanDerWaalsContact CD2-CZ 3.48Å; Y173-R183 VanDerWaalsContact CE2-CZ 3.43Å; Y173-M209 HydrophobicContact CD1-CB 4.1Å; Y173-M209 HydrophobicContact CD2-CB 3.93Å; Y173-M209 HydrophobicContact CD2-CG 4.35Å; Y173-M209 HydrophobicContact CE1-CB 3.75Å; Y173-M209 HydrophobicContact CE2-CB 3.56Å; Y173-M209 HydrophobicContact CE2-CG 3.66Å; Y173-M209 HydrophobicContact CG-CB 4.2Å; Y173-M209 VanDerWaalsContact CZ-CB 3.47Å; Y173-M209 PolarHBondContact N-O 3.4Å; Y173-M209 PolarHBondContact O-N 2.76Å; Y173-V211 HydrophobicContact CD1-CG2 3.92Å; Y173-V211 HydrophobicContact CE1-CG2 3.59Å; Y173-Y339 HydrophobicContact CD1-CD1 4.35Å; Y173-Y339 AromaticContact CD1-CE1 3.99Å; Y173-Y339 HydrophobicContact CD1-CE1 3.99Å
174	K	87.4	Confident	85.2	Confident	74 Å²	74	52.4 Å²	52.4	32%	0.322	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.9	171	-65.4	-168.6	176.5	78.5	0	111.2	S176 S177 D207 E340	K174-S176 WeakPolarHBondContact CB-OG 3.45Å; K174-S176 PolarHBondContact O-N 3.35Å; K174-S177 VanDerWaalsContact O-CB 3.28Å; K174-S177 WeakPolarHBondContact O-CB 3.42Å; K174-S177 PolarHBondContact O-N 3.32Å; K174-S177 PolarHBondContact O-OG 3.5Å; K174-D207 CarbonylContact C-O 3.55Å; K174-D207 VanDerWaalsContact CA-O 3.29Å; K174-D207 WeakPolarHBondContact CA-O 3.31Å; K174-D207 WeakPolarHBondContact CD-OD2 3.41Å; K174-E340 WeakPolarHBondContact CE-OE2 3.44Å; K174-E340 IonicContact NZ-OE1 2.66Å; K174-E340 PolarHBondContact NZ-OE1 3.44Å; K174-E340 IonicContact NZ-OE2 3.97Å; K174-E340 PolarHBondContact NZ-OE2 3.11Å
175	K	82.2	Confident	85.8	Confident	104 Å²	104	46.8 Å²	46.8	45%	0.452	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-33.4	173.9	-63.9	174.8	-175.2	167.3	0	111.1	S177 N206 D207 M209	K175-S177 PolarHBondContact O-N 3.04Å; K175-S177 VanDerWaalsContact O-N 3.17Å; K175-N206 WeakPolarHBondContact CD-O 3.47Å; K175-N206 WeakPolarHBondContact CE-O 3.39Å; K175-N206 PolarHBondContact NZ-O 3.48Å; K175-D207 WeakPolarHBondContact CA-OD1 3.23Å; K175-D207 WeakPolarHBondContact CB-OD1 3.37Å; K175-D207 PolarHBondContact N-O 3.01Å; K175-D207 PolarHBondContact N-OD1 3.41Å; K175-M209 HydrophobicContact CD-CG 4.34Å; K175-M209 WeakPolarHBondContact CE-SD 3.07Å; K175-M209 HydrophobicContact CG-CG 3.78Å
176	S	76.3	Confident	86.2	Confident	78 Å²	78	43.5 Å²	43.5	55%	0.545	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-7.9	173.6	58.2	0	0	0	0	115.5	K174 D207	K174-S176 WeakPolarHBondContact CB-OG 3.45Å; K174-S176 PolarHBondContact O-N 3.35Å; S176-D207 WeakPolarHBondContact CB-OD1 3.21Å; S176-D207 PolarHBondContact N-OD1 3.2Å; S176-D207 PolarHBondContact OG-OD1 3.11Å; S176-D207 PolarHBondContact OG-OD2 3.22Å
177	S	76.9	Confident	86.5	Confident	11 Å²	11	41.2 Å²	41.2	8%	0.077	22%	0.22	C	C	.	.			trans	-64.1	128.2	179.7	70.1	0	0	0	0	112.2	K174 K175 Q179 V180 R183	K174-S177 VanDerWaalsContact O-CB 3.28Å; K174-S177 WeakPolarHBondContact O-CB 3.42Å; K174-S177 PolarHBondContact O-N 3.32Å; K174-S177 PolarHBondContact O-OG 3.5Å; K175-S177 PolarHBondContact O-N 3.04Å; K175-S177 VanDerWaalsContact O-N 3.17Å; S177-Q179 PolarHBondContact O-N 3.3Å; S177-V180 WeakPolarHBondContact O-CG2 3.35Å; S177-R183 PolarHBondContact OG-NH1 3.13Å
178	P	72.6	Confident	86.6	Confident	120 Å²	120	48.1 Å²	48.1	78%	0.779	25%	0.249	S	C	*	.	S	Bend	trans	-73.7	-22.1	-179.1	27.3	-33.9	0	0	0	114.2	V180	P178-V180 VanDerWaalsContact C-N 3.26Å; P178-V180 PolarHBondContact O-N 2.94Å
179	Q	80.6	Confident	86.7	Confident	56 Å²	56	50.7 Å²	50.7	26%	0.262	26%	0.263	S	S	.	.			trans	-88.2	49.4	-173.3	-60.4	-175.3	53.2	0	0	112.9	S177 K182 N336 T338	S177-Q179 PolarHBondContact O-N 3.3Å; Q179-K182 HydrophobicContact CB-CD 4.41Å; Q179-N336 PolarHBondContact NE2-O 2.96Å; Q179-T338 HydrophobicContact CB-CG2 3.68Å; Q179-T338 VanDerWaalsContact CD-CG2 3.47Å; Q179-T338 HydrophobicContact CG-CG2 4.09Å
180	V	83.2	Confident	86.6	Confident	51 Å²	51	50.5 Å²	50.5	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-46.5	-175.3	177.6	0	0	0	0	112.2	S177 P178 K182 R183 C184	S177-V180 WeakPolarHBondContact O-CG2 3.35Å; P178-V180 VanDerWaalsContact C-N 3.26Å; P178-V180 PolarHBondContact O-N 2.94Å; V180-K182 PolarHBondContact O-N 3.42Å; V180-R183 WeakPolarHBondContact O-CB 3.49Å; V180-R183 PolarHBondContact O-N 2.84Å; V180-C184 PolarHBondContact O-N 3.46Å; V180-C184 PolarHBondContact O-SG 3.44Å; V180-C184 VanDerWaalsContact O-SG 3.4Å
181	E	84.1	Confident	86.6	Confident	155 Å²	155	56.6 Å²	56.6	72%	0.724	29%	0.285	S	S	*	.	H	α-helix	trans	-56.2	-48.7	-176.6	-64.7	165.2	-177.1	0	0	112.2	R183 C184 T185	E181-R183 VanDerWaalsContact C-N 3.29Å; E181-R183 PolarHBondContact O-N 3.18Å; E181-C184 PolarHBondContact O-N 3.4Å; E181-C184 VanDerWaalsContact O-N 3.09Å; E181-T185 PolarHBondContact O-N 3.37Å; E181-T185 PolarHBondContact O-OG1 3.49Å
182	K	84.9	Confident	86.6	Confident	63 Å²	63	60.6 Å²	60.6	27%	0.274	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-37.5	-179.1	-53.6	-173.8	-175.3	-144.1	0	111.9	Q179 V180 F186 E322	Q179-K182 HydrophobicContact CB-CD 4.41Å; V180-K182 PolarHBondContact O-N 3.42Å; K182-F186 WeakPolarHBondContact O-CB 3.32Å; K182-F186 PolarHBondContact O-N 2.88Å; K182-E322 VanDerWaalsContact CD-OE1 3.25Å; K182-E322 WeakPolarHBondContact CD-OE1 3.39Å; K182-E322 WeakPolarHBondContact CE-OE1 3.46Å; K182-E322 IonicContact NZ-OE1 3.14Å; K182-E322 PolarHBondContact NZ-OE1 2.75Å
183	R	87.8	Confident	86.4	Confident	14 Å²	14	64.1 Å²	64.1	5%	0.053	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-46.5	173.1	-179	-179.6	60.1	-126.8	-1.2	111	Y173 S177 V180 E181 T185 F186 E187 Y339	Y173-R183 VanDerWaalsContact CD2-CZ 3.48Å; Y173-R183 VanDerWaalsContact CE2-CZ 3.43Å; S177-R183 PolarHBondContact OG-NH1 3.13Å; V180-R183 WeakPolarHBondContact O-CB 3.49Å; V180-R183 PolarHBondContact O-N 2.84Å; E181-R183 VanDerWaalsContact C-N 3.29Å; E181-R183 PolarHBondContact O-N 3.18Å; R183-T185 PolarHBondContact O-N 2.83Å; R183-F186 PolarHBondContact O-N 3.33Å; R183-E187 HydrophobicContact CG-CG 4.37Å; R183-E187 WeakPolarHBondContact O-CG 3.48Å; R183-E187 PolarHBondContact O-N 3.21Å; R183-Y339 HydrophobicContact CG-CE1 4.36Å; R183-Y339 HydrophobicContact CG-CE2 4.26Å
184	C	88.6	Confident	86.4	Confident	40 Å²	40	64.6 Å²	64.6	27%	0.27	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-40.5	178.9	-66.8	0	0	0	0	112.3	V180 E181 E187 K188	V180-C184 PolarHBondContact O-N 3.46Å; V180-C184 PolarHBondContact O-SG 3.44Å; V180-C184 VanDerWaalsContact O-SG 3.4Å; E181-C184 PolarHBondContact O-N 3.4Å; E181-C184 VanDerWaalsContact O-N 3.09Å; C184-E187 PolarHBondContact O-N 3.3Å; C184-K188 WeakPolarHBondContact O-CB 3.48Å; C184-K188 PolarHBondContact O-N 2.96Å
185	T	89.9	Confident	86.6	Confident	59 Å²	59	61.3 Å²	61.3	36%	0.362	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-45.3	173.2	-58.9	0	0	0	0	111.7	E181 R183 K188 N189 Y321	E181-T185 PolarHBondContact O-N 3.37Å; E181-T185 PolarHBondContact O-OG1 3.49Å; R183-T185 PolarHBondContact O-N 2.83Å; T185-K188 PolarHBondContact O-N 3.15Å; T185-N189 WeakPolarHBondContact O-CB 3.47Å; T185-N189 PolarHBondContact O-N 3.01Å; T185-N189 PolarHBondContact O-ND2 2.75Å; T185-Y321 WeakPolarHBondContact CB-O 3.49Å; T185-Y321 VanDerWaalsContact CG2-O 3.28Å; T185-Y321 WeakPolarHBondContact CG2-O 3.25Å
186	F	90.8	Very high	87.1	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.3	-45.4	176.4	-172.9	-109.4	0	0	0	112.4	K182 R183 K188 N189 L190 L316 T319 I330 L333 Y339	K182-F186 WeakPolarHBondContact O-CB 3.32Å; K182-F186 PolarHBondContact O-N 2.88Å; R183-F186 PolarHBondContact O-N 3.33Å; F186-K188 PolarHBondContact O-N 3.08Å; F186-N189 PolarHBondContact O-N 2.63Å; F186-L190 HydrophobicContact CD1-CD1 3.74Å; F186-L190 HydrophobicContact CD1-CG 4.41Å; F186-L190 HydrophobicContact CE1-CD1 3.6Å; F186-L190 HydrophobicContact CE1-CG 4.29Å; F186-L190 HydrophobicContact CZ-CD1 4.29Å; F186-L190 WeakPolarHBondContact O-CG 3.34Å; F186-L190 PolarHBondContact O-N 3.28Å; F186-L316 HydrophobicContact CE1-CD2 4.11Å; F186-L316 HydrophobicContact CZ-CD2 4.18Å; F186-T319 WeakPolarHBondContact CE2-OG1 3.39Å; F186-T319 WeakPolarHBondContact CZ-OG1 3.27Å; F186-I330 HydrophobicContact CE1-CD1 4.35Å; F186-I330 HydrophobicContact CZ-CB 4.09Å; F186-L333 HydrophobicContact CB-CD1 4.16Å; F186-L333 HydrophobicContact CD1-CD1 3.72Å; F186-L333 HydrophobicContact CD2-CD1 3.61Å; F186-L333 HydrophobicContact CE1-CD1 3.88Å; F186-L333 HydrophobicContact CE2-CD1 3.76Å; F186-L333 HydrophobicContact CG-CD1 3.56Å; F186-L333 HydrophobicContact CZ-CD1 3.91Å; F186-Y339 AromaticContact CD1-CE2 3.79Å; F186-Y339 HydrophobicContact CD1-CE2 3.79Å; F186-Y339 HydrophobicContact CE1-CE2 4.06Å
187	E	91.2	Very high	87.8	Confident	8 Å²	8	57.4 Å²	57.4	4%	0.037	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-38	175.9	-71.6	175.1	173.9	0	0	112.8	R183 C184 N189 L190 R191 L197 K199	R183-E187 HydrophobicContact CG-CG 4.37Å; R183-E187 WeakPolarHBondContact O-CG 3.48Å; R183-E187 PolarHBondContact O-N 3.21Å; C184-E187 PolarHBondContact O-N 3.3Å; E187-N189 VanDerWaalsContact C-N 3.34Å; E187-L190 PolarHBondContact O-N 2.93Å; E187-R191 WeakPolarHBondContact O-CG 3.29Å; E187-R191 PolarHBondContact O-N 3.37Å; E187-R191 VanDerWaalsContact O-N 3.14Å; E187-L197 HydrophobicContact CB-CD1 3.97Å; E187-L197 HydrophobicContact CG-CD1 4.2Å; E187-K199 VanDerWaalsContact CD-CE 3.46Å; E187-K199 VanDerWaalsContact CD-NZ 3.29Å; E187-K199 WeakPolarHBondContact OE1-CE 3.4Å; E187-K199 IonicContact OE1-NZ 2.77Å; E187-K199 PolarHBondContact OE1-NZ 3.1Å; E187-K199 VanDerWaalsContact OE1-NZ 3.14Å; E187-K199 WeakPolarHBondContact OE2-CE 3.41Å; E187-K199 IonicContact OE2-NZ 2.61Å; E187-K199 PolarHBondContact OE2-NZ 3.3Å
188	K	91.8	Very high	88.6	Confident	153 Å²	153	58.1 Å²	58.1	67%	0.665	31%	0.309	S	S	*	.	H	α-helix	trans	-61.8	-43.4	173.1	-173.8	-177.5	179.5	-175.8	0	111	C184 T185 F186 R191 A192	C184-K188 WeakPolarHBondContact O-CB 3.48Å; C184-K188 PolarHBondContact O-N 2.96Å; T185-K188 PolarHBondContact O-N 3.15Å; F186-K188 PolarHBondContact O-N 3.08Å; K188-R191 PolarHBondContact O-N 3.45Å; K188-A192 PolarHBondContact O-N 2.91Å
189	N	91.9	Very high	89.4	Confident	55 Å²	55	55.9 Å²	55.9	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-35.7	179.5	-66.7	-11.9	0	0	0	112.3	T185 F186 E187 R191 A192 E193 K320	T185-N189 WeakPolarHBondContact O-CB 3.47Å; T185-N189 PolarHBondContact O-N 3.01Å; T185-N189 PolarHBondContact O-ND2 2.75Å; F186-N189 PolarHBondContact O-N 2.63Å; E187-N189 VanDerWaalsContact C-N 3.34Å; N189-R191 VanDerWaalsContact C-N 3.34Å; N189-R191 PolarHBondContact O-N 3.39Å; N189-A192 WeakPolarHBondContact O-CB 3.47Å; N189-A192 PolarHBondContact O-N 3.28Å; N189-E193 PolarHBondContact O-N 3.22Å; N189-E193 VanDerWaalsContact O-N 3.1Å; N189-K320 PolarHBondContact ND2-O 2.88Å
190	L	91.4	Very high	89.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-40.1	171.9	-73.7	168.9	0	0	0	112.3	L171 F186 E187 E193 L195 L197 V315 L316 T319	L171-L190 HydrophobicContact CD1-CD1 4.48Å; F186-L190 HydrophobicContact CD1-CD1 3.74Å; F186-L190 HydrophobicContact CD1-CG 4.41Å; F186-L190 HydrophobicContact CE1-CD1 3.6Å; F186-L190 HydrophobicContact CE1-CG 4.29Å; F186-L190 HydrophobicContact CZ-CD1 4.29Å; F186-L190 WeakPolarHBondContact O-CG 3.34Å; F186-L190 PolarHBondContact O-N 3.28Å; E187-L190 PolarHBondContact O-N 2.93Å; L190-E193 PolarHBondContact O-N 3.09Å; L190-L195 HydrophobicContact CD2-CD1 3.75Å; L190-L195 WeakPolarHBondContact O-CB 3.28Å; L190-L195 PolarHBondContact O-N 2.95Å; L190-L195 VanDerWaalsContact O-N 3.09Å; L190-L197 HydrophobicContact CB-CD1 4.15Å; L190-L197 HydrophobicContact CD1-CD1 4.43Å; L190-V315 HydrophobicContact CD2-CG1 4.28Å; L190-L316 HydrophobicContact CD1-CD2 3.84Å; L190-L316 HydrophobicContact CD2-CD2 3.65Å; L190-L316 HydrophobicContact CD2-CG 4.39Å; L190-L316 HydrophobicContact CG-CD2 4.42Å; L190-T319 HydrophobicContact CD2-CG2 3.89Å
191	R	92.8	Very high	89.6	Confident	129 Å²	129	55.2 Å²	55.2	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-39.1	173.4	-68.6	171	-179.7	175	-3.1	111.9	E187 K188 N189 E193 G194 L197	E187-R191 WeakPolarHBondContact O-CG 3.29Å; E187-R191 PolarHBondContact O-N 3.37Å; E187-R191 VanDerWaalsContact O-N 3.14Å; K188-R191 PolarHBondContact O-N 3.45Å; N189-R191 VanDerWaalsContact C-N 3.34Å; N189-R191 PolarHBondContact O-N 3.39Å; R191-E193 VanDerWaalsContact C-N 3.3Å; R191-E193 PolarHBondContact O-N 3.23Å; R191-G194 WeakPolarHBondContact O-CA 3.48Å; R191-G194 PolarHBondContact O-N 3.3Å; R191-L197 HydrophobicContact CG-CD1 4.08Å; R191-L197 HydrophobicContact CG-CG 4.36Å
192	A	90.9	Very high	89.3	Confident	85 Å²	85	48 Å²	48	70%	0.702	25%	0.253	S	S	*	.	H	α-helix	trans	-64.2	-31.5	177.4	0	0	0	0	0	113.2	K188 N189 G194	K188-A192 PolarHBondContact O-N 2.91Å; N189-A192 WeakPolarHBondContact O-CB 3.47Å; N189-A192 PolarHBondContact O-N 3.28Å; A192-G194 PolarHBondContact O-N 3.39Å
193	E	88.5	Confident	88.8	Confident	75 Å²	75	51 Å²	51	35%	0.35	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.3	171.8	-65.6	-72.4	-162.2	0	0	113.7	N189 L190 R191 K222 Y223 V315 T319	N189-E193 PolarHBondContact O-N 3.22Å; N189-E193 VanDerWaalsContact O-N 3.1Å; L190-E193 PolarHBondContact O-N 3.09Å; R191-E193 VanDerWaalsContact C-N 3.3Å; R191-E193 PolarHBondContact O-N 3.23Å; E193-K222 IonicContact OE2-NZ 3.96Å; E193-K222 PolarHBondContact OE2-NZ 3.3Å; E193-Y223 VanDerWaalsContact CD-OH 3.23Å; E193-Y223 PolarHBondContact OE2-OH 3.23Å; E193-V315 HydrophobicContact CB-CG1 4.27Å; E193-T319 HydrophobicContact CG-CG2 4.07Å
194	G	89.7	Confident	87.9	Confident	27 Å²	27	53 Å²	53	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	16.1	174.3	0	0	0	0	0	115.7	R191 A192 T219	R191-G194 WeakPolarHBondContact O-CA 3.48Å; R191-G194 PolarHBondContact O-N 3.3Å; A192-G194 PolarHBondContact O-N 3.39Å; G194-T219 PolarHBondContact O-OG1 3.35Å
195	L	92.9	Very high	87.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.5	173.1	-63.5	176.7	0	0	0	111.6	L190 V213 A215 T219 V312 V315	L190-L195 HydrophobicContact CD2-CD1 3.75Å; L190-L195 WeakPolarHBondContact O-CB 3.28Å; L190-L195 PolarHBondContact O-N 2.95Å; L190-L195 VanDerWaalsContact O-N 3.09Å; L195-V213 HydrophobicContact CB-CG1 4.17Å; L195-V213 HydrophobicContact CD1-CG1 4.05Å; L195-V213 HydrophobicContact CD2-CG1 4.37Å; L195-V213 HydrophobicContact CG-CG1 4.45Å; L195-A215 HydrophobicContact CD2-CB 3.9Å; L195-T219 HydrophobicContact CD2-CG2 4.09Å; L195-V312 HydrophobicContact CD1-CG1 4.46Å; L195-V312 HydrophobicContact CD2-CG2 4.22Å; L195-V315 HydrophobicContact CD1-CB 4.1Å; L195-V315 HydrophobicContact CD1-CG1 3.64Å; L195-V315 HydrophobicContact CG-CG1 4.39Å
196	M	91.6	Very high	86.4	Confident	77 Å²	77	57.9 Å²	57.9	38%	0.379	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	132.9	174.3	-67.5	-178	175.2	0	0	110.2	F160 K165 V213 H214 T216	F160-M196 HydrophobicContact CE2-CB 4.45Å; K165-M196 HydrophobicContact CD-SD 3.8Å; K165-M196 HydrophobicContact CG-SD 4.5Å; M196-V213 WeakPolarHBondContact O-CA 3.47Å; M196-H214 HydrophobicContact CB-CB 4.26Å; M196-H214 PolarHBondContact N-O 3.14Å; M196-H214 PolarHBondContact O-N 2.73Å; M196-T216 HydrophobicContact CE-CG2 3.85Å; M196-T216 HydrophobicContact CG-CG2 4.32Å; M196-T216 HydrophobicContact SD-CG2 4.32Å
197	L	92.6	Very high	86.1	Confident	23 Å²	23	59.9 Å²	59.9	12%	0.12	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.6	-175.8	-58.1	-179.8	0	0	0	111.2	E187 L190 R191 V211 K212 V213	E187-L197 HydrophobicContact CB-CD1 3.97Å; E187-L197 HydrophobicContact CG-CD1 4.2Å; L190-L197 HydrophobicContact CB-CD1 4.15Å; L190-L197 HydrophobicContact CD1-CD1 4.43Å; R191-L197 HydrophobicContact CG-CD1 4.08Å; R191-L197 HydrophobicContact CG-CG 4.36Å; L197-V211 HydrophobicContact CB-CG1 4.12Å; L197-V211 HydrophobicContact CD2-CG1 4.14Å; L197-K212 WeakPolarHBondContact CA-O 3.37Å; L197-V213 HydrophobicContact CD2-CB 4.24Å; L197-V213 HydrophobicContact CD2-CG1 3.97Å; L197-V213 HydrophobicContact CD2-CG2 3.84Å
198	E	92.1	Very high	85.9	Confident	26 Å²	26	60.1 Å²	60.1	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.3	170.9	-171.9	-162.5	109	0	0	109.4	F160 R161 V211 K212	F160-E198 WeakPolarHBondContact CA-OE2 3.46Å; F160-E198 WeakPolarHBondContact CB-OE2 3.22Å; F160-E198 HydrophobicContact CD2-CB 3.68Å; F160-E198 HydrophobicContact CD2-CG 4.39Å; F160-E198 WeakPolarHBondContact CD2-OE2 3.49Å; F160-E198 HydrophobicContact CE2-CB 3.53Å; F160-E198 HydrophobicContact CG-CB 4.42Å; F160-E198 WeakPolarHBondContact CG-OE2 3.41Å; F160-E198 HydrophobicContact CZ-CB 4.15Å; R161-E198 PolarHBondContact N-OE2 3.14Å; R161-E198 IonicContact NE-OE1 3.94Å; E198-V211 CarbonylContact O-C 3.58Å; E198-V211 WeakPolarHBondContact O-CA 3.33Å; E198-K212 HydrophobicContact CB-CB 4.29Å; E198-K212 HydrophobicContact CB-CD 4.34Å; E198-K212 PolarHBondContact N-O 3.28Å; E198-K212 PolarHBondContact O-N 3Å; E198-K212 WeakPolarHBondContact OE1-CD 3.45Å; E198-K212 WeakPolarHBondContact OE1-CE 3.24Å; E198-K212 IonicContact OE1-NZ 3.97Å; E198-K212 PolarHBondContact OE1-NZ 3.48Å
199	K	89.8	Confident	85.7	Confident	74 Å²	74	53.9 Å²	53.9	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.8	-178.9	-65.4	-172.3	177.2	-173.9	0	111.7	E187 M209 F210 V211	E187-K199 VanDerWaalsContact CD-CE 3.46Å; E187-K199 VanDerWaalsContact CD-NZ 3.29Å; E187-K199 WeakPolarHBondContact OE1-CE 3.4Å; E187-K199 IonicContact OE1-NZ 2.77Å; E187-K199 PolarHBondContact OE1-NZ 3.1Å; E187-K199 VanDerWaalsContact OE1-NZ 3.14Å; E187-K199 WeakPolarHBondContact OE2-CE 3.41Å; E187-K199 IonicContact OE2-NZ 2.61Å; E187-K199 PolarHBondContact OE2-NZ 3.3Å; K199-M209 HydrophobicContact CB-CE 4.13Å; K199-F210 WeakPolarHBondContact CA-O 3.45Å; K199-V211 HydrophobicContact CG-CG1 4.35Å; K199-V211 HydrophobicContact CG-CG2 4.31Å
200	E	85.2	Confident	85.7	Confident	28 Å²	28	51.2 Å²	51.2	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.6	173.7	-63.1	-160.9	120.4	0	0	112.4	R161 F210 K212 W750	R161-E200 IonicContact CZ-OE1 2.75Å; R161-E200 IonicContact NE-OE1 2.69Å; R161-E200 PolarHBondContact NE-OE1 2.86Å; R161-E200 IonicContact NH2-OE1 3.18Å; R161-E200 PolarHBondContact NH2-OE1 2.96Å; E200-F210 PolarHBondContact N-O 3.29Å; E200-F210 PolarHBondContact O-N 3.31Å; E200-K212 VanDerWaalsContact CD-NZ 3.27Å; E200-K212 IonicContact OE1-NZ 3.45Å; E200-K212 WeakPolarHBondContact OE2-CE 3.46Å; E200-K212 IonicContact OE2-NZ 3.45Å; E200-K212 PolarHBondContact OE2-NZ 2.87Å; E200-W750 WeakPolarHBondContact OE2-CZ2 3.08Å
201	P	83.3	Confident	85.7	Confident	65 Å²	65	51.2 Å²	51.2	42%	0.422	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	151.2	168.3	31.4	-34.4	0	0	0	111.1	M209	P201-M209 VanDerWaalsContact CA-SD 3.6Å; P201-M209 HydrophobicContact CB-SD 3.88Å
202	S	78.7	Confident	85.7	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.028	26%	0.255	C	S	.	.			trans	-66.6	143.9	167.7	179.5	0	0	0	0	110.9	T204 I208 D751	S202-T204 PolarHBondContact OG-N 3.47Å; S202-T204 VanDerWaalsContact OG-N 3.12Å; S202-T204 PolarHBondContact OG-OG1 3.41Å; S202-I208 PolarHBondContact N-O 3.07Å; S202-D751 PolarHBondContact OG-OD1 2.74Å
203	L	73.6	Confident	85.8	Confident	126 Å²	126	41.2 Å²	41.2	66%	0.66	22%	0.222	S	C	*	.	S	Bend	trans	-76.7	-12.6	172.4	-62.4	176.3	0	0	0	112.6
204	T	68.8	Low	86	Confident	54 Å²	54	38.7 Å²	38.7	33%	0.331	21%	0.21	S	C	.	.	S	Bend	trans	-107.3	-22.9	-175.9	59.6	0	0	0	0	114.1	S202 L747	S202-T204 PolarHBondContact OG-N 3.47Å; S202-T204 VanDerWaalsContact OG-N 3.12Å; S202-T204 PolarHBondContact OG-OG1 3.41Å; T204-L747 HydrophobicContact CG2-CD2 3.88Å
205	N	72.9	Confident	86.1	Confident	70 Å²	70	37.4 Å²	37.4	37%	0.374	20%	0.197	S	C	.	.			trans	-147.9	116.6	176.6	-178	-2.9	0	0	0	111.6	D207 I208	N205-D207 PolarHBondContact O-N 2.63Å; N205-D207 VanDerWaalsContact O-N 3.14Å; N205-D207 PolarHBondContact OD1-N 3.45Å; N205-I208 HydrophobicContact CB-CB 4.5Å; N205-I208 HydrophobicContact CB-CD1 4.01Å; N205-I208 HydrophobicContact CB-CG1 4.09Å; N205-I208 PolarHBondContact O-N 2.79Å
206	N	74.4	Confident	86.1	Confident	132 Å²	132	38.6 Å²	38.6	71%	0.706	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.9	-178.2	-73.6	-18.4	0	0	0	114.8	K175	K175-N206 WeakPolarHBondContact CD-O 3.47Å; K175-N206 WeakPolarHBondContact CE-O 3.39Å; K175-N206 PolarHBondContact NZ-O 3.48Å
207	D	83.6	Confident	86	Confident	43 Å²	43	36.3 Å²	36.3	23%	0.23	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-20.3	174.1	-169	29.2	0	0	0	112.6	K174 K175 S176 N205	K174-D207 CarbonylContact C-O 3.55Å; K174-D207 VanDerWaalsContact CA-O 3.29Å; K174-D207 WeakPolarHBondContact CA-O 3.31Å; K174-D207 WeakPolarHBondContact CD-OD2 3.41Å; K175-D207 WeakPolarHBondContact CA-OD1 3.23Å; K175-D207 WeakPolarHBondContact CB-OD1 3.37Å; K175-D207 PolarHBondContact N-O 3.01Å; K175-D207 PolarHBondContact N-OD1 3.41Å; S176-D207 WeakPolarHBondContact CB-OD1 3.21Å; S176-D207 PolarHBondContact N-OD1 3.2Å; S176-D207 PolarHBondContact OG-OD1 3.11Å; S176-D207 PolarHBondContact OG-OD2 3.22Å; N205-D207 PolarHBondContact O-N 2.63Å; N205-D207 VanDerWaalsContact O-N 3.14Å; N205-D207 PolarHBondContact OD1-N 3.45Å
208	I	86.6	Confident	85.9	Confident	12 Å²	12	40.3 Å²	40.3	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.6	-175.8	-59.9	-179.6	0	0	0	110.8	V172 S202 N205 F210 W754	V172-I208 HydrophobicContact CG1-CG2 3.69Å; S202-I208 PolarHBondContact N-O 3.07Å; N205-I208 HydrophobicContact CB-CB 4.5Å; N205-I208 HydrophobicContact CB-CD1 4.01Å; N205-I208 HydrophobicContact CB-CG1 4.09Å; N205-I208 PolarHBondContact O-N 2.79Å; I208-F210 HydrophobicContact CG2-CE1 4.43Å; I208-F210 HydrophobicContact CG2-CE2 4.48Å; I208-F210 HydrophobicContact CG2-CZ 4.23Å; I208-W754 HydrophobicContact CD1-CZ2 4.27Å
209	M	89	Confident	85.8	Confident	22 Å²	22	39.6 Å²	39.6	11%	0.108	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.3	171.3	-69.5	-64.3	-57.8	0	0	110.6	V172 Y173 K175 K199 P201	V172-M209 WeakPolarHBondContact CA-O 3.4Å; Y173-M209 HydrophobicContact CD1-CB 4.1Å; Y173-M209 HydrophobicContact CD2-CB 3.93Å; Y173-M209 HydrophobicContact CD2-CG 4.35Å; Y173-M209 HydrophobicContact CE1-CB 3.75Å; Y173-M209 HydrophobicContact CE2-CB 3.56Å; Y173-M209 HydrophobicContact CE2-CG 3.66Å; Y173-M209 HydrophobicContact CG-CB 4.2Å; Y173-M209 VanDerWaalsContact CZ-CB 3.47Å; Y173-M209 PolarHBondContact N-O 3.4Å; Y173-M209 PolarHBondContact O-N 2.76Å; K175-M209 HydrophobicContact CD-CG 4.34Å; K175-M209 WeakPolarHBondContact CE-SD 3.07Å; K175-M209 HydrophobicContact CG-CG 3.78Å; K199-M209 HydrophobicContact CB-CE 4.13Å; P201-M209 VanDerWaalsContact CA-SD 3.6Å; P201-M209 HydrophobicContact CB-SD 3.88Å
210	F	91.4	Very high	85.9	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.1	169.7	-63.7	-68.6	0	0	0	110	I170 L171 V172 K199 E200 I208 W750 D751 W754	I170-F210 HydrophobicContact CG2-CD1 4.11Å; L171-F210 WeakPolarHBondContact O-CA 3.4Å; V172-F210 HydrophobicContact CG1-CD1 4.38Å; V172-F210 HydrophobicContact CG1-CE1 4.2Å; V172-F210 HydrophobicContact CG2-CD1 3.92Å; V172-F210 HydrophobicContact CG2-CE1 3.95Å; K199-F210 WeakPolarHBondContact CA-O 3.45Å; E200-F210 PolarHBondContact N-O 3.29Å; E200-F210 PolarHBondContact O-N 3.31Å; I208-F210 HydrophobicContact CG2-CE1 4.43Å; I208-F210 HydrophobicContact CG2-CE2 4.48Å; I208-F210 HydrophobicContact CG2-CZ 4.23Å; F210-W750 AromaticContact CD2-CD1 3.56Å; F210-W750 AromaticContact CD2-NE1 3.89Å; F210-W750 AromaticContact CE2-CD1 3.87Å; F210-W750 AromaticContact CG-CD1 3.71Å; F210-D751 HydrophobicContact CE2-CB 4.03Å; F210-D751 WeakPolarHBondContact CE2-OD1 3.49Å; F210-D751 HydrophobicContact CZ-CB 4.15Å; F210-D751 VanDerWaalsContact CZ-OD1 3.29Å; F210-D751 WeakPolarHBondContact CZ-OD1 3.34Å; F210-W754 HydrophobicContact CE1-CB 3.89Å; F210-W754 HydrophobicContact CE1-CD2 4.49Å; F210-W754 AromaticContact CE1-CG 3.9Å; F210-W754 HydrophobicContact CE1-CG 3.9Å; F210-W754 HydrophobicContact CZ-CB 4.02Å; F210-W754 AromaticContact CZ-CD1 3.78Å; F210-W754 AromaticContact CZ-CG 3.96Å; F210-W754 HydrophobicContact CZ-CG 3.96Å
211	V	92.2	Very high	86.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.6	167.4	-166.4	0	0	0	0	108.1	I170 L171 Y173 L197 E198 K199	I170-V211 WeakPolarHBondContact CA-O 3.42Å; L171-V211 HydrophobicContact CB-CB 4.15Å; L171-V211 PolarHBondContact N-O 3.44Å; L171-V211 PolarHBondContact O-N 3.06Å; Y173-V211 HydrophobicContact CD1-CG2 3.92Å; Y173-V211 HydrophobicContact CE1-CG2 3.59Å; L197-V211 HydrophobicContact CB-CG1 4.12Å; L197-V211 HydrophobicContact CD2-CG1 4.14Å; E198-V211 CarbonylContact O-C 3.58Å; E198-V211 WeakPolarHBondContact O-CA 3.33Å; K199-V211 HydrophobicContact CG-CG1 4.35Å; K199-V211 HydrophobicContact CG-CG2 4.31Å
212	K	92.4	Very high	86.4	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.9	172.3	-58.8	169.9	-175.7	170.6	0	108.6	F160 I167 L197 E198 E200 W750	F160-K212 HydrophobicContact CD1-CB 4.42Å; F160-K212 HydrophobicContact CD1-CD 4.46Å; F160-K212 HydrophobicContact CE1-CB 3.76Å; F160-K212 HydrophobicContact CZ-CB 3.98Å; I167-K212 HydrophobicContact CD1-CD 3.67Å; I167-K212 HydrophobicContact CD1-CG 3.94Å; I167-K212 HydrophobicContact CG1-CB 4.21Å; I167-K212 HydrophobicContact CG1-CD 4.03Å; I167-K212 HydrophobicContact CG1-CG 4.18Å; I167-K212 HydrophobicContact CG2-CB 4.22Å; I167-K212 HydrophobicContact CG2-CG 4.45Å; L197-K212 WeakPolarHBondContact CA-O 3.37Å; E198-K212 HydrophobicContact CB-CB 4.29Å; E198-K212 HydrophobicContact CB-CD 4.34Å; E198-K212 PolarHBondContact N-O 3.28Å; E198-K212 PolarHBondContact O-N 3Å; E198-K212 WeakPolarHBondContact OE1-CD 3.45Å; E198-K212 WeakPolarHBondContact OE1-CE 3.24Å; E198-K212 IonicContact OE1-NZ 3.97Å; E198-K212 PolarHBondContact OE1-NZ 3.48Å; E200-K212 VanDerWaalsContact CD-NZ 3.27Å; E200-K212 IonicContact OE1-NZ 3.45Å; E200-K212 WeakPolarHBondContact OE2-CE 3.46Å; E200-K212 IonicContact OE2-NZ 3.45Å; E200-K212 PolarHBondContact OE2-NZ 2.87Å; K212-W750 VanDerWaalsContact CE-CH2 3.42Å; K212-W750 VanDerWaalsContact CE-CZ2 3.47Å; K212-W750 VanDerWaalsContact NZ-CH2 3.28Å
213	V	93.2	Very high	86.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133	177.7	-167.7	0	0	0	0	109.5	D168 Y169 L171 L195 M196 L197 V312	D168-V213 PolarHBondContact N-O 3.07Å; Y169-V213 PolarHBondContact N-O 3.37Å; Y169-V213 PolarHBondContact O-N 3.16Å; L171-V213 HydrophobicContact CG-CG2 4.16Å; L195-V213 HydrophobicContact CB-CG1 4.17Å; L195-V213 HydrophobicContact CD1-CG1 4.05Å; L195-V213 HydrophobicContact CD2-CG1 4.37Å; L195-V213 HydrophobicContact CG-CG1 4.45Å; M196-V213 WeakPolarHBondContact O-CA 3.47Å; L197-V213 HydrophobicContact CD2-CB 4.24Å; L197-V213 HydrophobicContact CD2-CG1 3.97Å; L197-V213 HydrophobicContact CD2-CG2 3.84Å; V213-V312 HydrophobicContact CB-CG1 4.28Å; V213-V312 HydrophobicContact CG1-CG1 3.7Å
214	H	92.9	Very high	87.6	Confident	22 Å²	22	29.5 Å²	29.5	10%	0.102	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.5	174	172.7	67.8	0	0	0	110.5	F160 R166 D168 M196 R308	F160-H214 HydrophobicContact CD1-CB 4.49Å; F160-H214 HydrophobicContact CE1-CB 3.61Å; F160-H214 HydrophobicContact CE2-CB 4.28Å; F160-H214 HydrophobicContact CZ-CB 3.49Å; F160-H214 VanDerWaalsContact CZ-CB 3.49Å; R166-H214 PolarHBondContact N-ND1 3.38Å; R166-H214 WeakPolarHBondContact O-CB 3.43Å; R166-H214 PolarHBondContact O-ND1 3.11Å; D168-H214 IonicContact OD2-ND1 3.02Å; D168-H214 PolarHBondContact OD2-ND1 2.96Å; M196-H214 HydrophobicContact CB-CB 4.26Å; M196-H214 PolarHBondContact N-O 3.14Å; M196-H214 PolarHBondContact O-N 2.73Å; H214-R308 PolarHBondContact CE1-NH2 3.16Å
215	A	92	Very high	88.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	172.5	0	0	0	0	0	111.5	D168 L195 L220 R308 V312	D168-A215 PolarHBondContact OD2-N 3.27Å; D168-A215 VanDerWaalsContact OD2-N 3.13Å; L195-A215 HydrophobicContact CD2-CB 3.9Å; A215-L220 HydrophobicContact CB-CD1 4.3Å; A215-L220 HydrophobicContact CB-CD2 3.71Å; A215-L220 HydrophobicContact CB-CG 3.77Å; A215-R308 PolarHBondContact O-NH2 3.28Å; A215-V312 HydrophobicContact CB-CG2 3.72Å
216	T	91.9	Very high	89	Confident	29 Å²	29	32 Å²	32	18%	0.178	16%	0.159	C	C	.	.			trans	-65.1	158	170.3	74.4	0	0	0	0	110.6	M196 D218 T219 L220	M196-T216 HydrophobicContact CE-CG2 3.85Å; M196-T216 HydrophobicContact CG-CG2 4.32Å; M196-T216 HydrophobicContact SD-CG2 4.32Å; T216-D218 VanDerWaalsContact C-N 3.28Å; T216-D218 PolarHBondContact O-N 3.2Å; T216-T219 PolarHBondContact O-N 3.02Å; T216-T219 WeakPolarHBondContact OG1-CB 3.12Å; T216-T219 PolarHBondContact OG1-N 3.25Å; T216-T219 PolarHBondContact OG1-OG1 3.23Å; T216-L220 VanDerWaalsContact O-CG 3.27Å; T216-L220 WeakPolarHBondContact O-CG 3.46Å; T216-L220 PolarHBondContact O-N 2.92Å
217	W	89.2	Confident	89.2	Confident	29 Å²	29	26.5 Å²	26.5	11%	0.11	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-38.5	177.5	175	-86.9	0	0	0	112.9	L220 C221 M291 I296 R299 F302 F303	W217-L220 WeakPolarHBondContact O-CB 3.49Å; W217-L220 PolarHBondContact O-N 3.43Å; W217-C221 PolarHBondContact NE1-SG 2.92Å; W217-C221 PolarHBondContact O-N 2.59Å; W217-C221 PolarHBondContact O-SG 3.44Å; W217-M291 HydrophobicContact CZ2-SD 4.45Å; W217-I296 HydrophobicContact CZ2-CD1 4.36Å; W217-R299 VanDerWaalsContact CD1-NE 3.27Å; W217-R299 HydrophobicContact CD2-CG 3.43Å; W217-R299 VanDerWaalsContact CD2-CG 3.43Å; W217-R299 HydrophobicContact CE3-CB 4.44Å; W217-R299 HydrophobicContact CE3-CG 3.38Å; W217-R299 HydrophobicContact CG-CG 3.99Å; W217-R299 HydrophobicContact CH2-CG 4.12Å; W217-R299 HydrophobicContact CZ2-CG 4.18Å; W217-R299 HydrophobicContact CZ3-CB 4.45Å; W217-R299 HydrophobicContact CZ3-CG 3.74Å; W217-R299 WeakPolarHBondContact CZ3-O 3.49Å; W217-F302 HydrophobicContact CH2-CB 4.08Å; W217-F302 AromaticContact CH2-CD1 3.56Å; W217-F302 HydrophobicContact CH2-CD1 3.56Å; W217-F302 HydrophobicContact CH2-CE1 4.28Å; W217-F302 HydrophobicContact CH2-CG 4.03Å; W217-F302 HydrophobicContact CZ3-CB 4.13Å; W217-F302 HydrophobicContact CZ3-CD1 4.04Å; W217-F302 HydrophobicContact CZ3-CG 4.47Å; W217-F303 HydrophobicContact CD2-CE2 4.32Å; W217-F303 AromaticContact CE3-CD2 3.8Å; W217-F303 HydrophobicContact CE3-CD2 3.8Å; W217-F303 AromaticContact CE3-CE2 3.79Å; W217-F303 HydrophobicContact CE3-CE2 3.79Å; W217-F303 HydrophobicContact CH2-CD2 4.08Å; W217-F303 AromaticContact CH2-CE2 3.74Å; W217-F303 HydrophobicContact CH2-CE2 3.74Å; W217-F303 HydrophobicContact CZ2-CE2 4.24Å; W217-F303 AromaticContact CZ3-CD2 3.42Å; W217-F303 HydrophobicContact CZ3-CD2 3.42Å; W217-F303 VanDerWaalsContact CZ3-CD2 3.42Å; W217-F303 AromaticContact CZ3-CE2 3.47Å; W217-F303 HydrophobicContact CZ3-CE2 3.47Å; W217-F303 VanDerWaalsContact CZ3-CE2 3.47Å
218	D	90.1	Very high	89	Confident	107 Å²	107	28.1 Å²	28.1	57%	0.572	14%	0.138	S	C	*	.	H	α-helix	trans	-75.3	-34.7	-174.2	-50	-48.6	0	0	0	110.6	T216 C221 K222 R299	T216-D218 VanDerWaalsContact C-N 3.28Å; T216-D218 PolarHBondContact O-N 3.2Å; D218-C221 PolarHBondContact O-N 2.94Å; D218-K222 WeakPolarHBondContact O-CB 3.45Å; D218-K222 PolarHBondContact O-N 2.96Å; D218-R299 IonicContact OD1-NH2 2.63Å; D218-R299 PolarHBondContact OD1-NH2 2.87Å; D218-R299 IonicContact OD2-NH2 2.73Å
219	T	90.9	Very high	88.8	Confident	10 Å²	10	27.7 Å²	27.7	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-46	164.9	-59.7	0	0	0	0	111.6	G194 L195 T216 C221 K222 Y223	G194-T219 PolarHBondContact O-OG1 3.35Å; L195-T219 HydrophobicContact CD2-CG2 4.09Å; T216-T219 PolarHBondContact O-N 3.02Å; T216-T219 WeakPolarHBondContact OG1-CB 3.12Å; T216-T219 PolarHBondContact OG1-N 3.25Å; T216-T219 PolarHBondContact OG1-OG1 3.23Å; T219-C221 VanDerWaalsContact C-N 3.35Å; T219-C221 PolarHBondContact O-N 2.79Å; T219-K222 PolarHBondContact O-N 3.14Å; T219-Y223 HydrophobicContact CG2-CD2 3.74Å; T219-Y223 HydrophobicContact CG2-CE2 3.83Å; T219-Y223 VanDerWaalsContact O-CD2 3.28Å; T219-Y223 WeakPolarHBondContact O-CD2 3.32Å; T219-Y223 PolarHBondContact O-N 2.96Å
220	L	91	Very high	88.3	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-42.6	177	-71.2	165.7	0	0	0	111.9	A215 T216 W217 A224 F303 R308 I311	A215-L220 HydrophobicContact CB-CD1 4.3Å; A215-L220 HydrophobicContact CB-CD2 3.71Å; A215-L220 HydrophobicContact CB-CG 3.77Å; T216-L220 VanDerWaalsContact O-CG 3.27Å; T216-L220 WeakPolarHBondContact O-CG 3.46Å; T216-L220 PolarHBondContact O-N 2.92Å; W217-L220 WeakPolarHBondContact O-CB 3.49Å; W217-L220 PolarHBondContact O-N 3.43Å; L220-A224 WeakPolarHBondContact O-CB 3.36Å; L220-A224 PolarHBondContact O-N 3.29Å; L220-F303 HydrophobicContact CB-CD2 4.05Å; L220-F303 HydrophobicContact CB-CE2 3.86Å; L220-F303 HydrophobicContact CB-CZ 4.28Å; L220-F303 HydrophobicContact CD1-CD2 4.15Å; L220-R308 HydrophobicContact CD1-CG 4.2Å; L220-R308 VanDerWaalsContact CD1-CZ 3.45Å; L220-R308 VanDerWaalsContact CD1-NH1 3.29Å; L220-R308 HydrophobicContact CD2-CB 4.33Å; L220-R308 HydrophobicContact CD2-CG 4.03Å; L220-I311 HydrophobicContact CB-CD1 4.47Å; L220-I311 HydrophobicContact CD2-CB 3.97Å; L220-I311 HydrophobicContact CD2-CD1 3.52Å; L220-I311 HydrophobicContact CD2-CG1 4.35Å; L220-I311 HydrophobicContact CD2-CG2 3.86Å
221	C	90.2	Very high	87.8	Confident	3 Å²	3	29.5 Å²	29.5	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-67.1	-43.7	177.5	-70	0	0	0	0	112.6	W217 D218 T219 Y223 A224 E225 F286	W217-C221 PolarHBondContact NE1-SG 2.92Å; W217-C221 PolarHBondContact O-N 2.59Å; W217-C221 PolarHBondContact O-SG 3.44Å; D218-C221 PolarHBondContact O-N 2.94Å; T219-C221 VanDerWaalsContact C-N 3.35Å; T219-C221 PolarHBondContact O-N 2.79Å; C221-Y223 PolarHBondContact O-N 2.75Å; C221-A224 PolarHBondContact O-N 3.41Å; C221-E225 WeakPolarHBondContact O-CB 3.35Å; C221-E225 PolarHBondContact O-N 3.28Å; C221-F286 HydrophobicContact CB-CE1 3.92Å; C221-F286 HydrophobicContact CB-CZ 4.34Å
222	K	90.4	Very high	87	Confident	70 Å²	70	31.5 Å²	31.5	30%	0.304	16%	0.155	S	C	.	.	H	α-helix	trans	-53.2	-52	174.4	172.5	-167.9	171	-165.9	0	110.9	E193 D218 T219 Q226	E193-K222 IonicContact OE2-NZ 3.96Å; E193-K222 PolarHBondContact OE2-NZ 3.3Å; D218-K222 WeakPolarHBondContact O-CB 3.45Å; D218-K222 PolarHBondContact O-N 2.96Å; T219-K222 PolarHBondContact O-N 3.14Å; K222-Q226 WeakPolarHBondContact O-CG 3.44Å; K222-Q226 PolarHBondContact O-N 3.17Å; K222-Q226 VanDerWaalsContact O-N 3.09Å
223	Y	88.9	Confident	86	Confident	13 Å²	13	32.9 Å²	32.9	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-80	-26	-176.7	-72.7	-69.6	0	0	0	113.7	E193 T219 C221 Q226 M227 I311 H314 V315	E193-Y223 VanDerWaalsContact CD-OH 3.23Å; E193-Y223 PolarHBondContact OE2-OH 3.23Å; T219-Y223 HydrophobicContact CG2-CD2 3.74Å; T219-Y223 HydrophobicContact CG2-CE2 3.83Å; T219-Y223 VanDerWaalsContact O-CD2 3.28Å; T219-Y223 WeakPolarHBondContact O-CD2 3.32Å; T219-Y223 PolarHBondContact O-N 2.96Å; C221-Y223 PolarHBondContact O-N 2.75Å; Y223-Q226 VanDerWaalsContact CE1-OE1 3.23Å; Y223-Q226 PolarHBondContact O-N 2.81Å; Y223-M227 WeakPolarHBondContact O-CB 3.24Å; Y223-M227 WeakPolarHBondContact O-CE 3.49Å; Y223-M227 WeakPolarHBondContact O-CG 3.12Å; Y223-M227 PolarHBondContact O-N 2.83Å; Y223-I311 HydrophobicContact CD2-CG2 4.47Å; Y223-I311 HydrophobicContact CG-CG2 4.34Å; Y223-H314 AromaticContact CD1-CD2 3.9Å; Y223-V315 HydrophobicContact CD1-CG2 4.05Å; Y223-V315 HydrophobicContact CD2-CG2 3.59Å; Y223-V315 HydrophobicContact CE1-CG2 3.88Å; Y223-V315 HydrophobicContact CE2-CG2 3.4Å; Y223-V315 VanDerWaalsContact CE2-CG2 3.4Å; Y223-V315 HydrophobicContact CG-CG2 3.92Å
224	A	88.1	Confident	84.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-37.6	171.2	0	0	0	0	0	112.3	L220 C221 M227 N228 I229 F286 F303 I311	L220-A224 WeakPolarHBondContact O-CB 3.36Å; L220-A224 PolarHBondContact O-N 3.29Å; C221-A224 PolarHBondContact O-N 3.41Å; A224-M227 CarbonylContact O-C 3.44Å; A224-N228 PolarHBondContact O-N 3.35Å; A224-N228 VanDerWaalsContact O-N 3.14Å; A224-I229 HydrophobicContact CB-CB 4.38Å; A224-I229 HydrophobicContact CB-CD1 4.04Å; A224-I229 HydrophobicContact CB-CG1 4.36Å; A224-I229 PolarHBondContact O-N 2.67Å; A224-F286 HydrophobicContact CB-CD1 3.94Å; A224-F303 HydrophobicContact CB-CE1 3.64Å; A224-F303 HydrophobicContact CB-CZ 3.93Å; A224-I311 HydrophobicContact CB-CD1 4.49Å
225	E	86.9	Confident	82.8	Confident	58 Å²	58	42.4 Å²	42.4	27%	0.271	20%	0.199	S	C	.	.	H	α-helix	trans	-69.9	-39.6	172.5	-175.7	162.3	-124.8	0	0	111.3	C221 M227 N228 F286 S287 R288	C221-E225 WeakPolarHBondContact O-CB 3.35Å; C221-E225 PolarHBondContact O-N 3.28Å; E225-M227 VanDerWaalsContact C-N 3.3Å; E225-M227 PolarHBondContact O-N 2.86Å; E225-N228 PolarHBondContact O-N 2.9Å; E225-F286 WeakPolarHBondContact CA-O 3.38Å; E225-S287 WeakPolarHBondContact OE1-CA 3.44Å; E225-S287 VanDerWaalsContact OE1-CB 3.24Å; E225-S287 WeakPolarHBondContact OE1-CB 3.18Å; E225-S287 PolarHBondContact OE1-OG 3.33Å; E225-R288 PolarHBondContact OE1-N 2.89Å; E225-R288 VanDerWaalsContact OE2-CB 3.24Å; E225-R288 WeakPolarHBondContact OE2-CB 3.39Å; E225-R288 IonicContact OE2-NE 3.7Å
226	Q	83.8	Confident	80.7	Confident	117 Å²	117	50.8 Å²	50.8	55%	0.547	24%	0.235	S	C	.	.	H	α-helix	trans	-68.6	-22.7	174.8	-73.2	-179.3	-18.1	0	0	114.7	K222 Y223	K222-Q226 WeakPolarHBondContact O-CG 3.44Å; K222-Q226 PolarHBondContact O-N 3.17Å; K222-Q226 VanDerWaalsContact O-N 3.09Å; Y223-Q226 VanDerWaalsContact CE1-OE1 3.23Å; Y223-Q226 PolarHBondContact O-N 2.81Å
227	M	78.1	Confident	78.6	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.089	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.3	174.7	-67.2	-174.2	-78.3	0	0	112.9	Y223 A224 E225 I229 I311 H314	Y223-M227 WeakPolarHBondContact O-CB 3.24Å; Y223-M227 WeakPolarHBondContact O-CE 3.49Å; Y223-M227 WeakPolarHBondContact O-CG 3.12Å; Y223-M227 PolarHBondContact O-N 2.83Å; A224-M227 CarbonylContact O-C 3.44Å; E225-M227 VanDerWaalsContact C-N 3.3Å; E225-M227 PolarHBondContact O-N 2.86Å; M227-I229 HydrophobicContact CB-CD1 4.36Å; M227-I229 HydrophobicContact CB-CG1 3.9Å; M227-I229 HydrophobicContact CE-CD1 4.06Å; M227-I229 PolarHBondContact O-N 3.44Å; M227-I311 HydrophobicContact CE-CB 4.06Å; M227-I311 HydrophobicContact CE-CG1 3.5Å; M227-I311 VanDerWaalsContact CE-CG1 3.5Å; M227-I311 HydrophobicContact CE-CG2 4.36Å; M227-H314 HydrophobicContact CE-CB 4.24Å; M227-H314 HydrophobicContact SD-CB 3.91Å; M227-H314 PolarHBondContact SD-ND1 3.43Å; M227-H314 VanDerWaalsContact SD-ND1 3.4Å
228	N	80.2	Confident	76.4	Confident	76 Å²	76	60.2 Å²	60.2	41%	0.406	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	24.1	177.1	-66.7	-32.9	0	0	0	116.1	A224 E225 R230 P285 E513	A224-N228 PolarHBondContact O-N 3.35Å; A224-N228 VanDerWaalsContact O-N 3.14Å; E225-N228 PolarHBondContact O-N 2.9Å; N228-R230 PolarHBondContact O-N 3.15Å; N228-P285 HydrophobicContact CB-CB 4.35Å; N228-P285 WeakPolarHBondContact O-CA 3.46Å; N228-P285 WeakPolarHBondContact O-CB 3.28Å; N228-E513 HydrophobicContact CB-CG 4.46Å
229	I	82.1	Confident	74.2	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.015	28%	0.276	C	S	.	.			trans	-59.3	114.6	-163.1	-58.4	-177.1	0	0	0	111	A224 M227 M231 F286 T307 I311	A224-I229 HydrophobicContact CB-CB 4.38Å; A224-I229 HydrophobicContact CB-CD1 4.04Å; A224-I229 HydrophobicContact CB-CG1 4.36Å; A224-I229 PolarHBondContact O-N 2.67Å; M227-I229 HydrophobicContact CB-CD1 4.36Å; M227-I229 HydrophobicContact CB-CG1 3.9Å; M227-I229 HydrophobicContact CE-CD1 4.06Å; M227-I229 PolarHBondContact O-N 3.44Å; I229-M231 HydrophobicContact CG2-CE 3.93Å; I229-M231 PolarHBondContact O-N 3.45Å; I229-F286 WeakPolarHBondContact O-CB 3.3Å; I229-F286 PolarHBondContact O-N 2.78Å; I229-T307 HydrophobicContact CD1-CG2 3.98Å; I229-T307 HydrophobicContact CG2-CG2 4.24Å; I229-I311 HydrophobicContact CD1-CD1 4.09Å; I229-I311 HydrophobicContact CD1-CG1 4Å
230	R	79.1	Confident	71.7	Confident	47 Å²	47	64.9 Å²	64.9	18%	0.177	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	132.2	174.5	-74.7	-166.6	-80.6	-118.6	3.1	112	N228 A284 D505 I507	N228-R230 PolarHBondContact O-N 3.15Å; R230-A284 CarbonylContact C-O 3.51Å; R230-A284 WeakPolarHBondContact CA-O 3.21Å; R230-D505 PolarHBondContact NE-O 3.29Å; R230-D505 PolarHBondContact NH2-O 2.83Å; R230-I507 VanDerWaalsContact CZ-O 3.28Å; R230-I507 PolarHBondContact NH1-O 2.97Å; R230-I507 PolarHBondContact NH2-O 3.39Å
231	M	79.9	Confident	69.3	Low	13 Å²	13	67.7 Å²	67.7	6%	0.064	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.2	-175.4	-76.7	-68.8	178.1	0	0	111.3	I229 T283 A284 F286 F294 F302 F303 T307	I229-M231 HydrophobicContact CG2-CE 3.93Å; I229-M231 PolarHBondContact O-N 3.45Å; M231-T283 CarbonylContact O-C 3.6Å; M231-T283 VanDerWaalsContact O-CA 3.32Å; M231-T283 WeakPolarHBondContact O-CA 3.49Å; M231-A284 PolarHBondContact N-O 3.08Å; M231-A284 PolarHBondContact O-N 3.4Å; M231-F286 HydrophobicContact CB-CB 4.36Å; M231-F286 HydrophobicContact CB-CD2 4.46Å; M231-F286 HydrophobicContact CG-CB 4.01Å; M231-F286 HydrophobicContact CG-CD2 4.27Å; M231-F286 HydrophobicContact CG-CG 4.49Å; M231-F294 HydrophobicContact CB-CD1 3.73Å; M231-F294 HydrophobicContact CB-CE1 3.91Å; M231-F302 HydrophobicContact CB-CZ 3.95Å; M231-F302 HydrophobicContact CE-CE1 4.17Å; M231-F302 HydrophobicContact CG-CE1 4.08Å; M231-F302 HydrophobicContact CG-CZ 3.84Å; M231-F302 HydrophobicContact SD-CD1 4.47Å; M231-F302 HydrophobicContact SD-CE1 3.83Å; M231-F302 HydrophobicContact SD-CE2 4.36Å; M231-F302 HydrophobicContact SD-CZ 3.78Å; M231-F303 HydrophobicContact CE-CD1 3.44Å; M231-F303 VanDerWaalsContact CE-CD1 3.44Å; M231-F303 HydrophobicContact CE-CE1 3.57Å; M231-F303 HydrophobicContact CE-CG 4.47Å; M231-T307 HydrophobicContact CE-CG2 4.34Å
232	P	76.8	Confident	66.9	Low	43 Å²	43	77.1 Å²	77.1	28%	0.279	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	133.1	-174.8	26	-34.9	0	0	0	113.8	C281 F294 T295	P232-C281 HydrophobicContact CB-CB 4.01Å; P232-F294 WeakPolarHBondContact O-CA 3.2Å; P232-F294 WeakPolarHBondContact O-CD1 3.24Å; P232-T295 WeakPolarHBondContact CB-OG1 3.28Å; P232-T295 WeakPolarHBondContact CG-OG1 3.35Å; P232-T295 PolarHBondContact O-N 3.12Å; P232-T295 PolarHBondContact O-OG1 3.18Å
233	F	71.4	Confident	64.3	Low	32 Å²	32	80.9 Å²	80.9	14%	0.14	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-104.5	147.4	-171.6	-161.7	-90	0	0	0	112.2	K235 Y282 A284 H293 F294 M972	F233-K235 PolarHBondContact O-N 3.43Å; F233-Y282 VanDerWaalsContact CB-O 3.24Å; F233-Y282 WeakPolarHBondContact CB-O 3.44Å; F233-Y282 PolarHBondContact N-O 3.08Å; F233-A284 HydrophobicContact CD2-CB 3.9Å; F233-H293 HydrophobicContact CD2-CB 4.09Å; F233-H293 HydrophobicContact CE1-CB 4.23Å; F233-H293 HydrophobicContact CE2-CB 3.46Å; F233-H293 VanDerWaalsContact CE2-CB 3.46Å; F233-H293 HydrophobicContact CZ-CB 3.56Å; F233-H293 AromaticContact CZ-CG 3.86Å; F233-H293 AromaticContact CZ-ND1 3.85Å; F233-F294 HydrophobicContact CD2-CE1 4.23Å; F233-F294 HydrophobicContact CD2-CZ 4.41Å; F233-M972 HydrophobicContact CD1-CE 3.77Å; F233-M972 HydrophobicContact CD1-SD 3.88Å; F233-M972 HydrophobicContact CE1-CE 3.82Å; F233-M972 HydrophobicContact CE1-SD 3.64Å
234	R	61.5	Low	62.1	Low	141 Å²	141	83.3 Å²	83.3	53%	0.532	38%	0.382	S	S	.	.			trans	-83.8	94.1	-178.7	-77.8	175.7	156.8	166.4	-4	112.2	H292 H293 F294 T295	R234-H292 PolarHBondContact NH1-O 2.95Å; R234-H293 VanDerWaalsContact CB-O 3.29Å; R234-H293 WeakPolarHBondContact CB-O 3.44Å; R234-H293 PolarHBondContact N-O 3.06Å; R234-F294 WeakPolarHBondContact CD-O 3.14Å; R234-T295 HydrophobicContact CB-CG2 4.42Å; R234-T295 HydrophobicContact CG-CG2 3.51Å
235	K	55.5	Low	60.1	Low	82 Å²	82	90.2 Å²	90.2	36%	0.357	41%	0.412	S	S	.	.	S	Bend	trans	-141.6	151.5	149.2	-150.1	162.1	-179.5	-179.3	0	109.2	F233 C237 M972 E975	F233-K235 PolarHBondContact O-N 3.43Å; K235-C237 PolarHBondContact O-N 2.63Å; K235-M972 HydrophobicContact CB-SD 3.92Å; K235-M972 HydrophobicContact CD-CG 3.82Å; K235-M972 HydrophobicContact CD-SD 3.45Å; K235-M972 WeakPolarHBondContact CD-SD 3.39Å; K235-M972 HydrophobicContact CG-SD 4.29Å; K235-E975 IonicContact NZ-OE1 2.93Å; K235-E975 PolarHBondContact NZ-OE1 3.48Å; K235-E975 IonicContact NZ-OE2 3.37Å; K235-E975 PolarHBondContact NZ-OE2 3.3Å
236	K	49.1	Very low	57.9	Low	175 Å²	175	91.6 Å²	91.6	76%	0.761	43%	0.425	S	S	*	.			trans	-66.1	129.5	-176.7	-71	179.9	179.3	176.4	0	110.1	Y238	K236-Y238 PolarHBondContact O-N 2.88Å
237	C	47.1	Very low	55.9	Low	66 Å²	66	90.8 Å²	90.8	45%	0.446	42%	0.424	S	S	.	.			trans	-66.9	101.2	176.7	-59.9	0	0	0	0	110.2	K235 F239 D280	K235-C237 PolarHBondContact O-N 2.63Å; C237-F239 PolarHBondContact O-N 3.32Å; C237-F239 VanDerWaalsContact O-N 3.15Å; C237-D280 PolarHBondContact SG-O 3.46Å
238	Y	44.1	Very low	54.3	Low	191 Å²	191	90.9 Å²	90.9	75%	0.749	43%	0.429	S	S	*	.			trans	-74.3	9.4	171.9	-72.9	-71.1	0	0	0	113.4	K236 T240	K236-Y238 PolarHBondContact O-N 2.88Å; Y238-T240 PolarHBondContact O-N 3.35Å
239	F	44.2	Very low	52.7	Low	120 Å²	120	98.6 Å²	98.6	53%	0.526	45%	0.452	S	S	.	.			trans	-81.3	52.2	-177.8	-152	-93.2	0	0	0	113.1	C237 D241	C237-F239 PolarHBondContact O-N 3.32Å; C237-F239 VanDerWaalsContact O-N 3.15Å; F239-D241 HydrophobicContact CE1-CB 4.17Å; F239-D241 PolarHBondContact O-N 3.22Å
240	T	38.2	Very low	51.1	Low	95 Å²	95	106.2 Å²	106.2	58%	0.583	49%	0.485	S	S	*	.	S	Bend	trans	-77.8	102.9	150.2	73	0	0	0	0	106.5	Y238 W242 K245	Y238-T240 PolarHBondContact O-N 3.35Å; T240-W242 PolarHBondContact O-N 2.72Å; T240-W242 VanDerWaalsContact O-N 3.08Å; T240-K245 PolarHBondContact OG1-NZ 3.41Å
241	D	39.4	Very low	49.5	Very low	59 Å²	59	108 Å²	108	32%	0.316	50%	0.496	S	S	.	.			trans	-50.5	114.5	-171.9	174.1	30.8	0	0	0	112.8	F239 R243 S244 K245	F239-D241 HydrophobicContact CE1-CB 4.17Å; F239-D241 PolarHBondContact O-N 3.22Å; D241-R243 PolarHBondContact O-N 2.94Å; D241-R243 WeakPolarHBondContact OD1-CA 3.25Å; D241-R243 WeakPolarHBondContact OD1-CB 3.41Å; D241-R243 PolarHBondContact OD1-N 3.26Å; D241-R243 WeakPolarHBondContact OD2-CB 3.25Å; D241-S244 WeakPolarHBondContact O-CB 3.38Å; D241-S244 PolarHBondContact O-N 2.85Å; D241-S244 PolarHBondContact O-OG 2.74Å; D241-S244 WeakPolarHBondContact OD2-CB 2.98Å; D241-S244 PolarHBondContact OD2-N 2.95Å; D241-K245 PolarHBondContact O-N 2.93Å
242	W	39.3	Very low	48.1	Very low	201 Å²	201	112.4 Å²	112.4	76%	0.761	52%	0.519	S	S	*	.	H	α-helix	trans	-68.1	-23.1	177.4	-177	79.4	0	0	0	112.1	T240 K245 T246	T240-W242 PolarHBondContact O-N 2.72Å; T240-W242 VanDerWaalsContact O-N 3.08Å; W242-K245 PolarHBondContact O-N 3.14Å; W242-T246 HydrophobicContact CD2-CG2 4.3Å; W242-T246 HydrophobicContact CH2-CG2 4.48Å; W242-T246 HydrophobicContact CZ2-CG2 4.09Å; W242-T246 PolarHBondContact O-N 2.83Å; W242-T246 VanDerWaalsContact O-N 3.13Å; W242-T246 PolarHBondContact O-OG1 3.44Å
243	R	35.7	Very low	46.7	Very low	149 Å²	149	119.4 Å²	119.4	56%	0.562	54%	0.54	S	S	*	.	H	α-helix	trans	-67.6	-41.3	172.2	-143.8	174.3	-173.7	167.6	-0.8	110.3	D241 K245 T246 L247 D957	D241-R243 PolarHBondContact O-N 2.94Å; D241-R243 WeakPolarHBondContact OD1-CA 3.25Å; D241-R243 WeakPolarHBondContact OD1-CB 3.41Å; D241-R243 PolarHBondContact OD1-N 3.26Å; D241-R243 WeakPolarHBondContact OD2-CB 3.25Å; R243-K245 PolarHBondContact O-N 3.02Å; R243-T246 WeakPolarHBondContact CA-OG1 3.5Å; R243-T246 PolarHBondContact O-N 3.45Å; R243-T246 PolarHBondContact O-OG1 3.46Å; R243-L247 WeakPolarHBondContact O-CB 3.38Å; R243-L247 PolarHBondContact O-N 2.96Å; R243-D957 IonicContact CZ-OD1 3.04Å; R243-D957 IonicContact NH1-OD1 3.85Å; R243-D957 PolarHBondContact NH1-OD1 3.01Å; R243-D957 IonicContact NH2-OD1 3.34Å
244	S	44.7	Very low	45.6	Very low	63 Å²	63	121.1 Å²	121.1	44%	0.441	56%	0.555	S	S	.	*	H	α-helix	trans	-60	-41.9	173.7	78.6	0	0	0	0	112.9	D241 G248	D241-S244 WeakPolarHBondContact O-CB 3.38Å; D241-S244 PolarHBondContact O-N 2.85Å; D241-S244 PolarHBondContact O-OG 2.74Å; D241-S244 WeakPolarHBondContact OD2-CB 2.98Å; D241-S244 PolarHBondContact OD2-N 2.95Å; S244-G248 PolarHBondContact O-N 3.37Å
245	K	44.3	Very low	45	Very low	146 Å²	146	118.3 Å²	118.3	64%	0.635	55%	0.548	S	S	*	.	H	α-helix	trans	-69	-33	179.1	-72.9	176.1	175.2	166.5	0	112.8	T240 D241 W242 R243	T240-K245 PolarHBondContact OG1-NZ 3.41Å; D241-K245 PolarHBondContact O-N 2.93Å; W242-K245 PolarHBondContact O-N 3.14Å; R243-K245 PolarHBondContact O-N 3.02Å
246	T	41.8	Very low	44.7	Very low	87 Å²	87	120.7 Å²	120.7	53%	0.534	56%	0.56	S	S	.	*	H	α-helix	trans	-87.3	-33.9	179.3	47.2	0	0	0	0	113.5	W242 R243	W242-T246 HydrophobicContact CD2-CG2 4.3Å; W242-T246 HydrophobicContact CH2-CG2 4.48Å; W242-T246 HydrophobicContact CZ2-CG2 4.09Å; W242-T246 PolarHBondContact O-N 2.83Å; W242-T246 VanDerWaalsContact O-N 3.13Å; W242-T246 PolarHBondContact O-OG1 3.44Å; R243-T246 WeakPolarHBondContact CA-OG1 3.5Å; R243-T246 PolarHBondContact O-N 3.45Å; R243-T246 PolarHBondContact O-OG1 3.46Å
247	L	41.6	Very low	44.7	Very low	100 Å²	100	117.3 Å²	117.3	52%	0.524	55%	0.549	S	S	.	.	H	α-helix	trans	-88.7	-3.6	-178.1	-144.7	75.5	0	0	0	114.3	R243 R249 F250 H251	R243-L247 WeakPolarHBondContact O-CB 3.38Å; R243-L247 PolarHBondContact O-N 2.96Å; L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.2Å; L247-R249 VanDerWaalsContact O-N 3.11Å; L247-F250 PolarHBondContact O-N 3Å; L247-H251 PolarHBondContact O-N 3.39Å
248	G	44.3	Very low	44.6	Very low	19 Å²	19	121 Å²	121	20%	0.196	56%	0.558	C	S	.	*	H	α-helix	trans	-50.1	-41.2	-168.5	0	0	0	0	0	115.4	S244 F250 H251 L252	S244-G248 PolarHBondContact O-N 3.37Å; G248-F250 PolarHBondContact O-N 3.3Å; G248-H251 PolarHBondContact O-N 2.97Å; G248-L252 WeakPolarHBondContact O-CB 3.12Å; G248-L252 VanDerWaalsContact O-CD1 3.23Å; G248-L252 WeakPolarHBondContact O-CD1 3.43Å; G248-L252 PolarHBondContact O-N 3.42Å
249	R	47.6	Very low	44.6	Very low	239 Å²	239	117.6 Å²	117.6	90%	0.902	55%	0.552	S	S	*	*	H	α-helix	trans	-69.9	-30.9	-174.4	-157.8	178.3	-62.1	-156.9	2.7	114	L247	L247-R249 VanDerWaalsContact C-N 3.32Å; L247-R249 PolarHBondContact O-N 3.2Å; L247-R249 VanDerWaalsContact O-N 3.11Å
250	F	46.8	Very low	44.6	Very low	162 Å²	162	122.5 Å²	122.5	71%	0.711	57%	0.568	S	S	*	*	H	α-helix	trans	-88.4	-37.6	174.7	-148.7	-88.4	0	0	0	110.8	L247 G248 R253 C254	L247-F250 PolarHBondContact O-N 3Å; G248-F250 PolarHBondContact O-N 3.3Å; F250-R253 PolarHBondContact O-N 2.88Å; F250-C254 PolarHBondContact O-N 3.37Å
251	H	46	Very low	44.6	Very low	85 Å²	85	122.1 Å²	122.1	39%	0.394	56%	0.562	S	S	.	*	H	α-helix	trans	-65.4	-41.8	178.3	-164.6	-36.1	0	0	0	112.3	L247 G248 R253 C254 Q255	L247-H251 PolarHBondContact O-N 3.39Å; G248-H251 PolarHBondContact O-N 2.97Å; H251-R253 VanDerWaalsContact C-N 3.25Å; H251-R253 PolarHBondContact O-N 3.2Å; H251-C254 CarbonylContact O-C 3.56Å; H251-C254 PolarHBondContact O-N 2.93Å; H251-Q255 PolarHBondContact ND1-OE1 3.09Å; H251-Q255 VanDerWaalsContact O-CB 3.25Å; H251-Q255 WeakPolarHBondContact O-CB 3.5Å; H251-Q255 PolarHBondContact O-N 3.48Å
252	L	50.7	Low	44.6	Very low	105 Å²	105	124.3 Å²	124.3	55%	0.55	58%	0.579	S	S	.	*	H	α-helix	trans	-58.7	-37.2	177.7	-100.9	78.2	0	0	0	112.1	G248 Q255 Q256	G248-L252 WeakPolarHBondContact O-CB 3.12Å; G248-L252 VanDerWaalsContact O-CD1 3.23Å; G248-L252 WeakPolarHBondContact O-CD1 3.43Å; G248-L252 PolarHBondContact O-N 3.42Å; L252-Q255 PolarHBondContact O-N 3.31Å; L252-Q256 WeakPolarHBondContact O-CG 3.41Å; L252-Q256 PolarHBondContact O-N 3.44Å
253	R	47.8	Very low	44.9	Very low	191 Å²	191	121.2 Å²	121.2	72%	0.721	57%	0.571	S	S	*	*	H	α-helix	trans	-67.7	-43.6	179.1	-138.9	178.4	-160.6	-177.6	5.4	111.5	F250 H251 Q255 I257	F250-R253 PolarHBondContact O-N 2.88Å; H251-R253 VanDerWaalsContact C-N 3.25Å; H251-R253 PolarHBondContact O-N 3.2Å; R253-Q255 PolarHBondContact O-N 3.39Å; R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 2.74Å
254	C	48.2	Very low	45	Very low	67 Å²	67	119.2 Å²	119.2	45%	0.453	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-25.3	171.9	-66.3	0	0	0	0	112.9	F250 H251 K258	F250-C254 PolarHBondContact O-N 3.37Å; H251-C254 CarbonylContact O-C 3.56Å; H251-C254 PolarHBondContact O-N 2.93Å; C254-K258 WeakPolarHBondContact O-CB 3.36Å; C254-K258 PolarHBondContact O-N 2.98Å; C254-K258 VanDerWaalsContact O-N 3.13Å
255	Q	49.3	Very low	45	Very low	83 Å²	83	120.2 Å²	120.2	39%	0.388	58%	0.577	S	S	.	*	H	α-helix	trans	-79.8	-42.6	179	-167.6	162.6	-7.8	0	0	111.6	H251 L252 R253 I257 K258 D259	H251-Q255 PolarHBondContact ND1-OE1 3.09Å; H251-Q255 VanDerWaalsContact O-CB 3.25Å; H251-Q255 WeakPolarHBondContact O-CB 3.5Å; H251-Q255 PolarHBondContact O-N 3.48Å; L252-Q255 PolarHBondContact O-N 3.31Å; R253-Q255 PolarHBondContact O-N 3.39Å; Q255-I257 PolarHBondContact O-N 3.32Å; Q255-K258 CarbonylContact O-C 3.6Å; Q255-K258 VanDerWaalsContact O-CA 3.28Å; Q255-K258 WeakPolarHBondContact O-CA 3.38Å; Q255-K258 WeakPolarHBondContact O-CB 3.43Å; Q255-K258 PolarHBondContact O-N 2.6Å; Q255-D259 PolarHBondContact O-N 3.07Å; Q255-D259 VanDerWaalsContact O-OD2 3.13Å
256	Q	49.2	Very low	44.8	Very low	131 Å²	131	118 Å²	118	61%	0.612	57%	0.57	S	S	*	*	H	α-helix	trans	-56.2	-37.8	169.3	-73.4	173.3	-35.8	0	0	112.3	L252 K258 W260	L252-Q256 WeakPolarHBondContact O-CG 3.41Å; L252-Q256 PolarHBondContact O-N 3.44Å; Q256-K258 VanDerWaalsContact C-N 3.35Å; Q256-W260 WeakPolarHBondContact O-CB 3.11Å; Q256-W260 PolarHBondContact O-N 2.89Å; Q256-W260 VanDerWaalsContact O-N 3.07Å
257	I	48.7	Very low	44.9	Very low	104 Å²	104	120.8 Å²	120.8	53%	0.533	57%	0.574	S	S	.	*	H	α-helix	trans	-66.9	-37.1	171.6	-65.6	165.8	0	0	0	111.1	R253 Q255 W260 L261	R253-I257 WeakPolarHBondContact O-CG1 3.46Å; R253-I257 PolarHBondContact O-N 2.74Å; Q255-I257 PolarHBondContact O-N 3.32Å; I257-W260 PolarHBondContact O-N 2.79Å; I257-L261 HydrophobicContact CG2-CD1 4.43Å; I257-L261 WeakPolarHBondContact O-CD1 3.49Å; I257-L261 PolarHBondContact O-N 2.85Å; I257-L261 VanDerWaalsContact O-N 3.16Å
258	K	45.6	Very low	45.3	Very low	144 Å²	144	118.4 Å²	118.4	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-71	-28.5	177.7	-134.4	173.3	-169.5	170.3	0	114	C254 Q255 Q256 L261	C254-K258 WeakPolarHBondContact O-CB 3.36Å; C254-K258 PolarHBondContact O-N 2.98Å; C254-K258 VanDerWaalsContact O-N 3.13Å; Q255-K258 CarbonylContact O-C 3.6Å; Q255-K258 VanDerWaalsContact O-CA 3.28Å; Q255-K258 WeakPolarHBondContact O-CA 3.38Å; Q255-K258 WeakPolarHBondContact O-CB 3.43Å; Q255-K258 PolarHBondContact O-N 2.6Å; Q256-K258 VanDerWaalsContact C-N 3.35Å; K258-L261 VanDerWaalsContact O-O 3.06Å
259	D	44	Very low	45.4	Very low	119 Å²	119	121.2 Å²	121.2	64%	0.636	57%	0.572	S	S	*	*	H	α-helix	trans	-86	-19.4	177	-58.3	-32.9	0	0	0	111.4	Q255 L261	Q255-D259 PolarHBondContact O-N 3.07Å; Q255-D259 VanDerWaalsContact O-OD2 3.13Å; D259-L261 CarbonylContact C-O 3.47Å
260	W	43.1	Very low	45.5	Very low	224 Å²	224	118 Å²	118	85%	0.848	57%	0.565	S	S	*	*	H	α-helix	trans	-78.4	-26.2	166.7	-167.9	78.4	0	0	0	112.4	Q256 I257	Q256-W260 WeakPolarHBondContact O-CB 3.11Å; Q256-W260 PolarHBondContact O-N 2.89Å; Q256-W260 VanDerWaalsContact O-N 3.07Å; I257-W260 PolarHBondContact O-N 2.79Å
261	L	38.8	Very low	45.5	Very low	87 Å²	87	117.7 Å²	117.7	46%	0.455	57%	0.566	S	S	.	*	S	Bend	trans	-72.3	142.9	159.4	-86.2	80.4	0	0	0	109.7	I257 K258 D259	I257-L261 HydrophobicContact CG2-CD1 4.43Å; I257-L261 WeakPolarHBondContact O-CD1 3.49Å; I257-L261 PolarHBondContact O-N 2.85Å; I257-L261 VanDerWaalsContact O-N 3.16Å; K258-L261 VanDerWaalsContact O-O 3.06Å; D259-L261 CarbonylContact C-O 3.47Å
262	P	39.2	Very low	45.5	Very low	105 Å²	105	115.7 Å²	115.7	68%	0.682	56%	0.564	S	S	*	*			trans	-63.1	138.7	177.6	26.1	-34.4	0	0	0	111.4	N264	P262-N264 PolarHBondContact O-N 3.13Å
263	K	45.7	Very low	45.5	Very low	135 Å²	135	111.8 Å²	111.8	59%	0.587	54%	0.544	S	S	*	.			trans	-36.4	106.9	172.7	-102.9	-162.8	171.3	-162.1	0	109.5	P265 D269 E271	K263-P265 WeakPolarHBondContact O-CD 3.43Å; K263-D269 IonicContact NZ-OD1 2.71Å; K263-D269 PolarHBondContact NZ-OD1 2.95Å; K263-E271 VanDerWaalsContact NZ-CD 3.31Å; K263-E271 IonicContact NZ-OE1 3.7Å; K263-E271 PolarHBondContact NZ-OE1 2.95Å; K263-E271 IonicContact NZ-OE2 3.18Å; K263-E271 PolarHBondContact NZ-OE2 2.74Å
264	N	38.7	Very low	45.5	Very low	107 Å²	107	107.4 Å²	107.4	57%	0.572	54%	0.54	S	S	*	.			trans	-43.9	106.6	-168.7	-86.9	1.7	0	0	0	112.1	P262 M266 K267	P262-N264 PolarHBondContact O-N 3.13Å; N264-M266 PolarHBondContact O-N 3.27Å; N264-K267 HydrophobicContact CB-CB 4.29Å; N264-K267 PolarHBondContact O-N 3.47Å
265	P	44.6	Very low	45.4	Very low	85 Å²	85	110.9 Å²	110.9	55%	0.552	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-13.2	-165.9	24.8	-34.8	0	0	0	114.1	K263	K263-P265 WeakPolarHBondContact O-CD 3.43Å
266	M	39.2	Very low	45.3	Very low	99 Å²	99	108.3 Å²	108.3	49%	0.488	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-28.4	172.6	-56.8	-179.2	178	0	0	113.1	N264 Y379 Y381	N264-M266 PolarHBondContact O-N 3.27Å; M266-Y379 WeakPolarHBondContact CG-O 3.36Å; M266-Y381 HydrophobicContact CB-CD2 3.71Å; M266-Y381 HydrophobicContact CB-CE2 3.62Å; M266-Y381 VanDerWaalsContact O-CD2 3.26Å; M266-Y381 WeakPolarHBondContact O-CD2 3.34Å; M266-Y381 PolarHBondContact O-N 2.74Å; M266-Y381 HydrophobicContact SD-CE2 4.49Å
267	K	44.8	Very low	44.9	Very low	146 Å²	146	109.9 Å²	109.9	64%	0.635	55%	0.55	S	S	*	*	S	Bend	trans	-78.5	139.2	-174.9	-160.4	176.5	-176.1	-176.5	0	110.5	N264	N264-K267 HydrophobicContact CB-CB 4.29Å; N264-K267 PolarHBondContact O-N 3.47Å
268	L	49	Very low	44.8	Very low	49 Å²	49	109.7 Å²	109.7	26%	0.257	55%	0.547	S	S	.	.			trans	-71.9	126.7	175.9	-167.6	76.4	0	0	0	109.7	K270 L273 P383	L268-K270 PolarHBondContact O-N 3.15Å; L268-K270 VanDerWaalsContact O-N 3.16Å; L268-L273 HydrophobicContact CD2-CD1 3.78Å; L268-L273 HydrophobicContact CG-CD1 4.24Å; L268-P383 HydrophobicContact CD2-CB 3.9Å
269	D	46.9	Very low	44.8	Very low	78 Å²	78	107.7 Å²	107.7	42%	0.417	55%	0.547	S	S	.	.			trans	-66	110.4	173.4	-103.7	-38.1	0	0	0	109.6	K263 E271 A272	K263-D269 IonicContact NZ-OD1 2.71Å; K263-D269 PolarHBondContact NZ-OD1 2.95Å; D269-E271 VanDerWaalsContact C-N 3.27Å; D269-E271 PolarHBondContact O-N 3.33Å; D269-A272 HydrophobicContact CB-CB 4.49Å; D269-A272 PolarHBondContact O-N 2.96Å
270	K	50.3	Low	45.2	Very low	171 Å²	171	107.9 Å²	107.9	74%	0.743	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-64.6	-32.8	175.7	-77.1	-159.4	167.6	-155.1	0	112	L268 A272 L273	L268-K270 PolarHBondContact O-N 3.15Å; L268-K270 VanDerWaalsContact O-N 3.16Å; K270-A272 PolarHBondContact O-N 2.98Å; K270-L273 PolarHBondContact O-N 3.09Å
271	E	45.9	Very low	45.9	Very low	156 Å²	156	98.6 Å²	98.6	73%	0.729	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-49.5	-25	173	-65.5	161.3	-144.7	0	0	113.1	K263 D269	K263-E271 VanDerWaalsContact NZ-CD 3.31Å; K263-E271 IonicContact NZ-OE1 3.7Å; K263-E271 PolarHBondContact NZ-OE1 2.95Å; K263-E271 IonicContact NZ-OE2 3.18Å; K263-E271 PolarHBondContact NZ-OE2 2.74Å; D269-E271 VanDerWaalsContact C-N 3.27Å; D269-E271 PolarHBondContact O-N 3.33Å
272	A	45.1	Very low	47.3	Very low	44 Å²	44	97.8 Å²	97.8	36%	0.364	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-99.3	18.3	-179.1	0	0	0	0	0	114.5	D269 K270 R371	D269-A272 HydrophobicContact CB-CB 4.49Å; D269-A272 PolarHBondContact O-N 2.96Å; K270-A272 PolarHBondContact O-N 2.98Å; A272-R371 PolarHBondContact O-NH1 2.79Å; A272-R371 PolarHBondContact O-NH2 3.47Å
273	L	51.7	Low	48.9	Very low	23 Å²	23	94.1 Å²	94.1	12%	0.12	48%	0.484	C	S	.	.			trans	-142.5	71.2	169.6	-61.7	98.7	0	0	0	112.2	L268 K270 D275 L276 L367 L386	L268-L273 HydrophobicContact CD2-CD1 3.78Å; L268-L273 HydrophobicContact CG-CD1 4.24Å; K270-L273 PolarHBondContact O-N 3.09Å; L273-D275 VanDerWaalsContact C-N 3.31Å; L273-D275 PolarHBondContact O-N 2.84Å; L273-L276 HydrophobicContact CB-CB 3.96Å; L273-L276 HydrophobicContact CD2-CB 4.38Å; L273-L276 HydrophobicContact CD2-CD1 3.86Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-L276 VanDerWaalsContact O-N 3.09Å; L273-L367 HydrophobicContact CD2-CD2 4.12Å; L273-L386 HydrophobicContact CD2-CD2 4.43Å
274	P	47.1	Very low	50.3	Low	98 Å²	98	88.4 Å²	88.4	64%	0.636	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-60.6	-35.9	179.6	24.5	-34.1	0	0	0	113.4	L276 E277	P274-L276 PolarHBondContact O-N 2.87Å; P274-E277 PolarHBondContact O-N 3.24Å; P274-E277 VanDerWaalsContact O-N 3.15Å
275	D	47.1	Very low	52.2	Low	140 Å²	140	85.6 Å²	85.6	75%	0.749	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-67.1	0.4	176.8	-53.9	-43.1	0	0	0	114.4	L273 R389	L273-D275 VanDerWaalsContact C-N 3.31Å; L273-D275 PolarHBondContact O-N 2.84Å; D275-R389 PolarHBondContact O-NH1 3.43Å
276	L	45.7	Very low	54.1	Low	29 Å²	29	81.7 Å²	81.7	15%	0.152	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-127.3	20.2	-178.1	-125.9	157	0	0	0	111.4	L273 P274 E278 D385 L386	L273-L276 HydrophobicContact CB-CB 3.96Å; L273-L276 HydrophobicContact CD2-CB 4.38Å; L273-L276 HydrophobicContact CD2-CD1 3.86Å; L273-L276 PolarHBondContact O-N 3.36Å; L273-L276 VanDerWaalsContact O-N 3.09Å; P274-L276 PolarHBondContact O-N 2.87Å; L276-E278 HydrophobicContact CD2-CG 4.26Å; L276-E278 PolarHBondContact O-N 3.38Å; L276-D385 HydrophobicContact CD2-CB 4.05Å; L276-L386 HydrophobicContact CD1-CB 4.18Å; L276-L386 HydrophobicContact CD1-CD1 4Å
277	E	42	Very low	56.1	Low	165 Å²	165	78 Å²	78	77%	0.771	41%	0.408	S	S	*	.			trans	-70.7	80.7	155.2	-170.1	158.2	-126.7	0	0	108.5	P274 T279	P274-E277 PolarHBondContact O-N 3.24Å; P274-E277 VanDerWaalsContact O-N 3.15Å; E277-T279 VanDerWaalsContact C-N 3.33Å; E277-T279 PolarHBondContact O-N 3.47Å
278	E	46.5	Very low	57.8	Low	99 Å²	99	79.1 Å²	79.1	46%	0.463	41%	0.408	S	S	.	.			trans	-60.5	95.9	169.1	-73.7	172.4	150.4	0	0	108.1	L276 D280 R388	L276-E278 HydrophobicContact CD2-CG 4.26Å; L276-E278 PolarHBondContact O-N 3.38Å; E278-D280 PolarHBondContact O-N 3.16Å; E278-R388 IonicContact OE1-CZ 2.76Å; E278-R388 IonicContact OE1-NH2 3.81Å; E278-R388 PolarHBondContact OE1-NH2 2.87Å
279	T	46.4	Very low	59	Low	102 Å²	102	80.7 Å²	80.7	63%	0.626	43%	0.428	S	S	*	.			trans	-60.5	122.6	164.6	49.2	0	0	0	0	107.9	E277 C281	E277-T279 VanDerWaalsContact C-N 3.33Å; E277-T279 PolarHBondContact O-N 3.47Å; T279-C281 PolarHBondContact O-N 3.19Å; T279-C281 PolarHBondContact OG1-SG 2.94Å; T279-C281 VanDerWaalsContact OG1-SG 3.4Å
280	D	51.5	Low	60.3	Low	124 Å²	124	82 Å²	82	66%	0.663	43%	0.427	S	S	*	.			trans	-65.4	63.6	-175.1	-63.4	-60.1	0	0	0	112.8	C237 E278	C237-D280 PolarHBondContact SG-O 3.46Å; E278-D280 PolarHBondContact O-N 3.16Å
281	C	58	Low	61.5	Low	28 Å²	28	77.3 Å²	77.3	19%	0.189	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-95.4	117.3	-177.2	-61.9	0	0	0	0	109.8	P232 T279 T283	P232-C281 HydrophobicContact CB-CB 4.01Å; T279-C281 PolarHBondContact O-N 3.19Å; T279-C281 PolarHBondContact OG1-SG 2.94Å; T279-C281 VanDerWaalsContact OG1-SG 3.4Å; C281-T283 PolarHBondContact O-N 2.93Å
282	Y	67.3	Low	62.7	Low	71 Å²	71	75.2 Å²	75.2	28%	0.278	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-47	135.5	173.8	-58.2	-66	0	0	0	112	F233 E965 L968	F233-Y282 VanDerWaalsContact CB-O 3.24Å; F233-Y282 WeakPolarHBondContact CB-O 3.44Å; F233-Y282 PolarHBondContact N-O 3.08Å; Y282-E965 HydrophobicContact CD1-CB 4.42Å; Y282-E965 HydrophobicContact CD1-CG 3.81Å; Y282-E965 HydrophobicContact CE1-CB 4.26Å; Y282-E965 HydrophobicContact CE1-CG 4.14Å; Y282-L968 HydrophobicContact CE1-CD1 4.48Å; Y282-L968 HydrophobicContact CE2-CD1 3.99Å; Y282-L968 WeakPolarHBondContact OH-CD1 3.23Å
283	T	73.3	Confident	64	Low	27 Å²	27	75.2 Å²	75.2	17%	0.166	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148.1	179.3	74.1	0	0	0	0	111.6	M231 C281 D505	M231-T283 CarbonylContact O-C 3.6Å; M231-T283 VanDerWaalsContact O-CA 3.32Å; M231-T283 WeakPolarHBondContact O-CA 3.49Å; C281-T283 PolarHBondContact O-N 2.93Å; T283-D505 WeakPolarHBondContact CB-OD1 3.33Å; T283-D505 WeakPolarHBondContact CG2-OD1 3.44Å; T283-D505 PolarHBondContact OG1-OD1 3.2Å
284	A	75.1	Confident	65.2	Low	15 Å²	15	74.2 Å²	74.2	12%	0.124	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.5	179.5	0	0	0	0	0	110.2	R230 M231 F233 F286 F294	R230-A284 CarbonylContact C-O 3.51Å; R230-A284 WeakPolarHBondContact CA-O 3.21Å; M231-A284 PolarHBondContact N-O 3.08Å; M231-A284 PolarHBondContact O-N 3.4Å; F233-A284 HydrophobicContact CD2-CB 3.9Å; A284-F286 PolarHBondContact O-N 3.04Å; A284-F294 HydrophobicContact CB-CE1 4.2Å; A284-F294 HydrophobicContact CB-CZ 4.46Å; A284-F294 WeakPolarHBondContact O-CE1 3.49Å
285	P	79.5	Confident	66.4	Low	49 Å²	49	71.2 Å²	71.2	32%	0.318	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	123.7	178.6	23.7	-33.7	0	0	0	110.8	N228 S287	N228-P285 HydrophobicContact CB-CB 4.35Å; N228-P285 WeakPolarHBondContact O-CA 3.46Å; N228-P285 WeakPolarHBondContact O-CB 3.28Å; P285-S287 PolarHBondContact O-N 3.35Å
286	F	83.1	Confident	67.7	Low	3 Å²	3	66.8 Å²	66.8	1%	0.013	34%	0.342	C	S	.	.			trans	-63	126.9	-175.2	-179.2	-94.5	0	0	0	111.3	C221 A224 E225 I229 M231 A284 M291 F294 F302	C221-F286 HydrophobicContact CB-CE1 3.92Å; C221-F286 HydrophobicContact CB-CZ 4.34Å; A224-F286 HydrophobicContact CB-CD1 3.94Å; E225-F286 WeakPolarHBondContact CA-O 3.38Å; I229-F286 WeakPolarHBondContact O-CB 3.3Å; I229-F286 PolarHBondContact O-N 2.78Å; M231-F286 HydrophobicContact CB-CB 4.36Å; M231-F286 HydrophobicContact CB-CD2 4.46Å; M231-F286 HydrophobicContact CG-CB 4.01Å; M231-F286 HydrophobicContact CG-CD2 4.27Å; M231-F286 HydrophobicContact CG-CG 4.49Å; A284-F286 PolarHBondContact O-N 3.04Å; F286-M291 HydrophobicContact CE2-CG 4.28Å; F286-M291 HydrophobicContact CZ-CG 4.21Å; F286-M291 HydrophobicContact CZ-SD 4.35Å; F286-F294 HydrophobicContact CD2-CD1 4.49Å; F286-F294 HydrophobicContact CD2-CD2 4.16Å; F286-F294 HydrophobicContact CD2-CE2 4.24Å; F286-F294 HydrophobicContact CD2-CG 4.28Å; F286-F294 HydrophobicContact CD2-CZ 4.45Å; F286-F294 HydrophobicContact CE2-CD2 4.37Å; F286-F302 HydrophobicContact CD2-CE1 4.15Å; F286-F302 HydrophobicContact CD2-CZ 4.13Å; F286-F302 HydrophobicContact CE2-CE1 4Å; F286-F302 HydrophobicContact CE2-CZ 4.14Å
287	S	81.8	Confident	68.8	Low	21 Å²	21	71.9 Å²	71.9	15%	0.147	37%	0.369	C	S	.	.			trans	-132.6	135.5	171.9	170.5	0	0	0	0	110.9	E225 P285 A289 R290 M291	E225-S287 WeakPolarHBondContact OE1-CA 3.44Å; E225-S287 VanDerWaalsContact OE1-CB 3.24Å; E225-S287 WeakPolarHBondContact OE1-CB 3.18Å; E225-S287 PolarHBondContact OE1-OG 3.33Å; P285-S287 PolarHBondContact O-N 3.35Å; S287-A289 VanDerWaalsContact C-N 3.3Å; S287-A289 PolarHBondContact O-N 2.71Å; S287-A289 PolarHBondContact OG-N 2.91Å; S287-R290 CarbonylContact O-C 3.54Å; S287-R290 PolarHBondContact O-N 3.42Å; S287-R290 VanDerWaalsContact O-N 3.07Å; S287-M291 PolarHBondContact O-N 3.06Å; S287-M291 VanDerWaalsContact O-N 3.14Å
288	R	80.5	Confident	70.4	Confident	170 Å²	170	69 Å²	69	64%	0.642	36%	0.359	S	S	*	.	S	Bend	trans	-64.6	-34.1	-178.4	-173.3	173.1	58.8	140.8	5.7	111.9	E225 R290 M291	E225-R288 PolarHBondContact OE1-N 2.89Å; E225-R288 VanDerWaalsContact OE2-CB 3.24Å; E225-R288 WeakPolarHBondContact OE2-CB 3.39Å; E225-R288 IonicContact OE2-NE 3.7Å; R288-R290 VanDerWaalsContact C-N 3.31Å; R288-R290 PolarHBondContact O-N 2.94Å; R288-M291 WeakPolarHBondContact O-CB 3.27Å; R288-M291 PolarHBondContact O-N 3.34Å
289	A	74.5	Confident	72	Confident	82 Å²	82	71.1 Å²	71.1	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-34	173.3	0	0	0	0	0	112.6	S287	S287-A289 VanDerWaalsContact C-N 3.3Å; S287-A289 PolarHBondContact O-N 2.71Å; S287-A289 PolarHBondContact OG-N 2.91Å
290	R	74.3	Confident	73.3	Confident	105 Å²	105	72.9 Å²	72.9	40%	0.396	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	15	-178	-59.8	-172.9	-64.4	-160	1.5	113.4	S287 R288 H292 H293 F294	S287-R290 CarbonylContact O-C 3.54Å; S287-R290 PolarHBondContact O-N 3.42Å; S287-R290 VanDerWaalsContact O-N 3.07Å; R288-R290 VanDerWaalsContact C-N 3.31Å; R288-R290 PolarHBondContact O-N 2.94Å; R290-H292 PolarHBondContact O-N 3.1Å; R290-H293 WeakPolarHBondContact O-CB 3.39Å; R290-H293 PolarHBondContact O-N 2.73Å; R290-F294 HydrophobicContact CB-CE2 4.33Å; R290-F294 WeakPolarHBondContact O-CD2 3.19Å
291	M	75.8	Confident	74.5	Confident	72 Å²	72	71.9 Å²	71.9	36%	0.355	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-54.8	-28.9	-171.6	-169.1	171.8	76.5	0	0	114.3	W217 F286 S287 R288 H293 F294 I296	W217-M291 HydrophobicContact CZ2-SD 4.45Å; F286-M291 HydrophobicContact CE2-CG 4.28Å; F286-M291 HydrophobicContact CZ-CG 4.21Å; F286-M291 HydrophobicContact CZ-SD 4.35Å; S287-M291 PolarHBondContact O-N 3.06Å; S287-M291 VanDerWaalsContact O-N 3.14Å; R288-M291 WeakPolarHBondContact O-CB 3.27Å; R288-M291 PolarHBondContact O-N 3.34Å; M291-H293 VanDerWaalsContact C-N 3.29Å; M291-H293 PolarHBondContact O-N 2.77Å; M291-F294 PolarHBondContact O-N 3.06Å; M291-I296 HydrophobicContact CG-CD1 3.47Å; M291-I296 VanDerWaalsContact CG-CD1 3.47Å; M291-I296 HydrophobicContact SD-CD1 4.2Å
292	H	70.9	Confident	75.7	Confident	113 Å²	113	71.9 Å²	71.9	52%	0.523	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-68.7	-22.2	178.3	61.9	-83.3	0	0	0	114.5	R234 R290	R234-H292 PolarHBondContact NH1-O 2.95Å; R290-H292 PolarHBondContact O-N 3.1Å
293	H	71.3	Confident	76.5	Confident	43 Å²	43	68.6 Å²	68.6	20%	0.199	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-80.3	-9.2	175.5	-64.2	159.6	0	0	0	113.9	F233 R234 R290 M291	F233-H293 HydrophobicContact CD2-CB 4.09Å; F233-H293 HydrophobicContact CE1-CB 4.23Å; F233-H293 HydrophobicContact CE2-CB 3.46Å; F233-H293 VanDerWaalsContact CE2-CB 3.46Å; F233-H293 HydrophobicContact CZ-CB 3.56Å; F233-H293 AromaticContact CZ-CG 3.86Å; F233-H293 AromaticContact CZ-ND1 3.85Å; R234-H293 VanDerWaalsContact CB-O 3.29Å; R234-H293 WeakPolarHBondContact CB-O 3.44Å; R234-H293 PolarHBondContact N-O 3.06Å; R290-H293 WeakPolarHBondContact O-CB 3.39Å; R290-H293 PolarHBondContact O-N 2.73Å; M291-H293 VanDerWaalsContact C-N 3.29Å; M291-H293 PolarHBondContact O-N 2.77Å
294	F	77.1	Confident	77	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.009	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-91.8	152.4	179.6	-64.9	-86.7	0	0	0	112	M231 P232 F233 R234 A284 F286 R290 M291 I296 F302	M231-F294 HydrophobicContact CB-CD1 3.73Å; M231-F294 HydrophobicContact CB-CE1 3.91Å; P232-F294 WeakPolarHBondContact O-CA 3.2Å; P232-F294 WeakPolarHBondContact O-CD1 3.24Å; F233-F294 HydrophobicContact CD2-CE1 4.23Å; F233-F294 HydrophobicContact CD2-CZ 4.41Å; R234-F294 WeakPolarHBondContact CD-O 3.14Å; A284-F294 HydrophobicContact CB-CE1 4.2Å; A284-F294 HydrophobicContact CB-CZ 4.46Å; A284-F294 WeakPolarHBondContact O-CE1 3.49Å; F286-F294 HydrophobicContact CD2-CD1 4.49Å; F286-F294 HydrophobicContact CD2-CD2 4.16Å; F286-F294 HydrophobicContact CD2-CE2 4.24Å; F286-F294 HydrophobicContact CD2-CG 4.28Å; F286-F294 HydrophobicContact CD2-CZ 4.45Å; F286-F294 HydrophobicContact CE2-CD2 4.37Å; R290-F294 HydrophobicContact CB-CE2 4.33Å; R290-F294 WeakPolarHBondContact O-CD2 3.19Å; M291-F294 PolarHBondContact O-N 3.06Å; F294-I296 HydrophobicContact CB-CG1 4.27Å; F294-I296 PolarHBondContact O-N 2.93Å; F294-F302 HydrophobicContact CB-CE2 4.3Å; F294-F302 HydrophobicContact CB-CZ 4.26Å
295	T	71.6	Confident	77.5	Confident	35 Å²	35	70 Å²	70	22%	0.215	35%	0.353	C	S	.	.			trans	-78.2	64.1	-179.6	50.9	0	0	0	0	112.3	P232 R234 N297	P232-T295 WeakPolarHBondContact CB-OG1 3.28Å; P232-T295 WeakPolarHBondContact CG-OG1 3.35Å; P232-T295 PolarHBondContact O-N 3.12Å; P232-T295 PolarHBondContact O-OG1 3.18Å; R234-T295 HydrophobicContact CB-CG2 4.42Å; R234-T295 HydrophobicContact CG-CG2 3.51Å; T295-N297 PolarHBondContact O-N 3.09Å
296	I	74.5	Confident	77.8	Confident	48 Å²	48	68.2 Å²	68.2	25%	0.246	34%	0.341	C	S	.	.			trans	-79.7	90.2	177.6	-54	174.9	0	0	0	109.4	W217 M291 F294 F302	W217-I296 HydrophobicContact CZ2-CD1 4.36Å; M291-I296 HydrophobicContact CG-CD1 3.47Å; M291-I296 VanDerWaalsContact CG-CD1 3.47Å; M291-I296 HydrophobicContact SD-CD1 4.2Å; F294-I296 HydrophobicContact CB-CG1 4.27Å; F294-I296 PolarHBondContact O-N 2.93Å; I296-F302 HydrophobicContact CB-CD2 4.48Å; I296-F302 HydrophobicContact CG1-CD2 3.94Å; I296-F302 HydrophobicContact CG1-CE2 3.79Å; I296-F302 HydrophobicContact CG1-CG 4.47Å; I296-F302 HydrophobicContact CG1-CZ 4.21Å
297	N	69.8	Low	77.9	Confident	136 Å²	136	69 Å²	69	73%	0.727	35%	0.347	S	S	*	.	S	Bend	trans	-83.6	-35.9	173.8	-66.1	-7.6	0	0	0	112.1	T295	T295-N297 PolarHBondContact O-N 3.09Å
298	N	76.2	Confident	78.4	Confident	105 Å²	105	68.6 Å²	68.6	56%	0.561	34%	0.342	S	S	*	.			trans	-148.1	127.6	-179.3	-98	-38.3	0	0	0	110.8	E300 T301 F302	N298-E300 VanDerWaalsContact C-N 3.27Å; N298-E300 PolarHBondContact O-N 3.43Å; N298-T301 VanDerWaalsContact CB-OG1 3.25Å; N298-T301 WeakPolarHBondContact CB-OG1 3.39Å; N298-T301 PolarHBondContact O-N 3.27Å; N298-F302 WeakPolarHBondContact O-CB 3.47Å; N298-F302 PolarHBondContact O-N 3.38Å; N298-F302 VanDerWaalsContact O-N 3.15Å
299	R	79.3	Confident	78.9	Confident	142 Å²	142	60.6 Å²	60.6	54%	0.536	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.8	-175.1	-162	175.1	-176.7	-170.5	-1.9	113.3	W217 D218	W217-R299 VanDerWaalsContact CD1-NE 3.27Å; W217-R299 HydrophobicContact CD2-CG 3.43Å; W217-R299 VanDerWaalsContact CD2-CG 3.43Å; W217-R299 HydrophobicContact CE3-CB 4.44Å; W217-R299 HydrophobicContact CE3-CG 3.38Å; W217-R299 HydrophobicContact CG-CG 3.99Å; W217-R299 HydrophobicContact CH2-CG 4.12Å; W217-R299 HydrophobicContact CZ2-CG 4.18Å; W217-R299 HydrophobicContact CZ3-CB 4.45Å; W217-R299 HydrophobicContact CZ3-CG 3.74Å; W217-R299 WeakPolarHBondContact CZ3-O 3.49Å; D218-R299 IonicContact OD1-NH2 2.63Å; D218-R299 PolarHBondContact OD1-NH2 2.87Å; D218-R299 IonicContact OD2-NH2 2.73Å
300	E	73.1	Confident	79.5	Confident	140 Å²	140	58.4 Å²	58.4	65%	0.654	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-27.1	-179.4	-61.1	-165.8	167.6	0	0	114.2	N298	N298-E300 VanDerWaalsContact C-N 3.27Å; N298-E300 PolarHBondContact O-N 3.43Å
301	T	76.7	Confident	80.3	Confident	102 Å²	102	53.5 Å²	53.5	63%	0.626	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-14.2	-175.4	60.7	0	0	0	0	114.1	N298	N298-T301 VanDerWaalsContact CB-OG1 3.25Å; N298-T301 WeakPolarHBondContact CB-OG1 3.39Å; N298-T301 PolarHBondContact O-N 3.27Å
302	F	83.1	Confident	81.1	Confident	28 Å²	28	50 Å²	50	12%	0.123	25%	0.251	C	S	.	.	S	Bend	trans	-57.2	-48.9	178.1	178.4	-97.4	0	0	0	112.7	W217 M231 F286 F294 I296 N298	W217-F302 HydrophobicContact CH2-CB 4.08Å; W217-F302 AromaticContact CH2-CD1 3.56Å; W217-F302 HydrophobicContact CH2-CD1 3.56Å; W217-F302 HydrophobicContact CH2-CE1 4.28Å; W217-F302 HydrophobicContact CH2-CG 4.03Å; W217-F302 HydrophobicContact CZ3-CB 4.13Å; W217-F302 HydrophobicContact CZ3-CD1 4.04Å; W217-F302 HydrophobicContact CZ3-CG 4.47Å; M231-F302 HydrophobicContact CB-CZ 3.95Å; M231-F302 HydrophobicContact CE-CE1 4.17Å; M231-F302 HydrophobicContact CG-CE1 4.08Å; M231-F302 HydrophobicContact CG-CZ 3.84Å; M231-F302 HydrophobicContact SD-CD1 4.47Å; M231-F302 HydrophobicContact SD-CE1 3.83Å; M231-F302 HydrophobicContact SD-CE2 4.36Å; M231-F302 HydrophobicContact SD-CZ 3.78Å; F286-F302 HydrophobicContact CD2-CE1 4.15Å; F286-F302 HydrophobicContact CD2-CZ 4.13Å; F286-F302 HydrophobicContact CE2-CE1 4Å; F286-F302 HydrophobicContact CE2-CZ 4.14Å; F294-F302 HydrophobicContact CB-CE2 4.3Å; F294-F302 HydrophobicContact CB-CZ 4.26Å; I296-F302 HydrophobicContact CB-CD2 4.48Å; I296-F302 HydrophobicContact CG1-CD2 3.94Å; I296-F302 HydrophobicContact CG1-CE2 3.79Å; I296-F302 HydrophobicContact CG1-CG 4.47Å; I296-F302 HydrophobicContact CG1-CZ 4.21Å; N298-F302 WeakPolarHBondContact O-CB 3.47Å; N298-F302 PolarHBondContact O-N 3.38Å; N298-F302 VanDerWaalsContact O-N 3.15Å
303	F	85	Confident	82	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.234	C	C	.	.	S	Bend	trans	-84.8	114.2	170	-68	-74.1	0	0	0	109.9	W217 L220 A224 M231 T307 R308 I311	W217-F303 HydrophobicContact CD2-CE2 4.32Å; W217-F303 AromaticContact CE3-CD2 3.8Å; W217-F303 HydrophobicContact CE3-CD2 3.8Å; W217-F303 AromaticContact CE3-CE2 3.79Å; W217-F303 HydrophobicContact CE3-CE2 3.79Å; W217-F303 HydrophobicContact CH2-CD2 4.08Å; W217-F303 AromaticContact CH2-CE2 3.74Å; W217-F303 HydrophobicContact CH2-CE2 3.74Å; W217-F303 HydrophobicContact CZ2-CE2 4.24Å; W217-F303 AromaticContact CZ3-CD2 3.42Å; W217-F303 HydrophobicContact CZ3-CD2 3.42Å; W217-F303 VanDerWaalsContact CZ3-CD2 3.42Å; W217-F303 AromaticContact CZ3-CE2 3.47Å; W217-F303 HydrophobicContact CZ3-CE2 3.47Å; W217-F303 VanDerWaalsContact CZ3-CE2 3.47Å; L220-F303 HydrophobicContact CB-CD2 4.05Å; L220-F303 HydrophobicContact CB-CE2 3.86Å; L220-F303 HydrophobicContact CB-CZ 4.28Å; L220-F303 HydrophobicContact CD1-CD2 4.15Å; A224-F303 HydrophobicContact CB-CE1 3.64Å; A224-F303 HydrophobicContact CB-CZ 3.93Å; M231-F303 HydrophobicContact CE-CD1 3.44Å; M231-F303 VanDerWaalsContact CE-CD1 3.44Å; M231-F303 HydrophobicContact CE-CE1 3.57Å; M231-F303 HydrophobicContact CE-CG 4.47Å; F303-T307 HydrophobicContact CD1-CG2 4.26Å; F303-R308 HydrophobicContact CB-CG 3.59Å; F303-R308 WeakPolarHBondContact O-CD 3.22Å; F303-I311 HydrophobicContact CD1-CD1 4.18Å; F303-I311 HydrophobicContact CE1-CD1 4.33Å
304	S	83.8	Confident	82.7	Confident	32 Å²	32	44.6 Å²	44.6	22%	0.224	23%	0.226	C	C	.	.			trans	-61.6	157.9	177.6	89.1	0	0	0	0	112.5	S306 T307 R308	S304-S306 VanDerWaalsContact C-N 3.28Å; S304-S306 PolarHBondContact O-N 2.98Å; S304-S306 PolarHBondContact OG-OG 3.4Å; S304-T307 WeakPolarHBondContact O-CB 3.5Å; S304-T307 PolarHBondContact O-N 3.42Å; S304-T307 VanDerWaalsContact O-N 3.13Å; S304-T307 PolarHBondContact OG-N 3.25Å; S304-T307 PolarHBondContact OG-OG1 3.44Å; S304-R308 WeakPolarHBondContact O-CG 3.41Å; S304-R308 PolarHBondContact O-N 2.73Å
305	N	85.4	Confident	83.3	Confident	41 Å²	41	44.6 Å²	44.6	22%	0.219	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-37.3	-177	-64	-18.7	0	0	0	113.2	R166 S309 E347	R166-N305 VanDerWaalsContact CZ-OD1 3.28Å; R166-N305 PolarHBondContact NH1-OD1 2.61Å; R166-N305 PolarHBondContact NH2-OD1 3.39Å; N305-S309 PolarHBondContact O-N 3.41Å; N305-S309 VanDerWaalsContact O-N 3.11Å; N305-S309 PolarHBondContact O-OG 3.45Å; N305-E347 WeakPolarHBondContact CB-OE1 3.4Å; N305-E347 PolarHBondContact ND2-OE1 3.45Å; N305-E347 PolarHBondContact ND2-OE2 2.99Å
306	S	85.4	Confident	84.2	Confident	10 Å²	10	42.9 Å²	42.9	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-68	-45.8	174.4	40.3	0	0	0	0	111.1	S304 R308 S309 R310 R389	S304-S306 VanDerWaalsContact C-N 3.28Å; S304-S306 PolarHBondContact O-N 2.98Å; S304-S306 PolarHBondContact OG-OG 3.4Å; S306-R308 PolarHBondContact O-N 3.42Å; S306-S309 PolarHBondContact O-N 3.1Å; S306-R310 WeakPolarHBondContact O-CB 3.2Å; S306-R310 PolarHBondContact O-N 3.41Å; S306-R389 WeakPolarHBondContact CB-O 3.44Å; S306-R389 PolarHBondContact OG-O 3.02Å
307	T	86.8	Confident	84.8	Confident	21 Å²	21	42.2 Å²	42.2	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-44.8	174.6	-43.4	0	0	0	0	112.3	I229 M231 F303 S304 R310 I311	I229-T307 HydrophobicContact CD1-CG2 3.98Å; I229-T307 HydrophobicContact CG2-CG2 4.24Å; M231-T307 HydrophobicContact CE-CG2 4.34Å; F303-T307 HydrophobicContact CD1-CG2 4.26Å; S304-T307 WeakPolarHBondContact O-CB 3.5Å; S304-T307 PolarHBondContact O-N 3.42Å; S304-T307 VanDerWaalsContact O-N 3.13Å; S304-T307 PolarHBondContact OG-N 3.25Å; S304-T307 PolarHBondContact OG-OG1 3.44Å; T307-R310 WeakPolarHBondContact O-CB 3.28Å; T307-R310 PolarHBondContact O-N 3.35Å; T307-I311 HydrophobicContact CG2-CD1 4.21Å; T307-I311 WeakPolarHBondContact O-CG1 3.39Å; T307-I311 PolarHBondContact O-N 2.77Å
308	R	90.3	Very high	85.4	Confident	11 Å²	11	41.2 Å²	41.2	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-44.7	178.1	-70.2	179.3	60.5	110.9	12.3	112.2	R166 D168 H214 A215 L220 F303 S304 S306 R310 I311 V312	R166-R308 VanDerWaalsContact CZ-CD 3.47Å; R166-R308 VanDerWaalsContact CZ-NE 3.33Å; D168-R308 IonicContact OD1-CZ 3.25Å; D168-R308 IonicContact OD1-NE 2.75Å; D168-R308 PolarHBondContact OD1-NE 3.08Å; D168-R308 IonicContact OD1-NH2 3.39Å; D168-R308 IonicContact OD2-CZ 2.73Å; D168-R308 IonicContact OD2-NE 3.99Å; D168-R308 PolarHBondContact OD2-NE 3.16Å; D168-R308 IonicContact OD2-NH2 3.87Å; D168-R308 PolarHBondContact OD2-NH2 2.82Å; H214-R308 PolarHBondContact CE1-NH2 3.16Å; A215-R308 PolarHBondContact O-NH2 3.28Å; L220-R308 HydrophobicContact CD1-CG 4.2Å; L220-R308 VanDerWaalsContact CD1-CZ 3.45Å; L220-R308 VanDerWaalsContact CD1-NH1 3.29Å; L220-R308 HydrophobicContact CD2-CB 4.33Å; L220-R308 HydrophobicContact CD2-CG 4.03Å; F303-R308 HydrophobicContact CB-CG 3.59Å; F303-R308 WeakPolarHBondContact O-CD 3.22Å; S304-R308 WeakPolarHBondContact O-CG 3.41Å; S304-R308 PolarHBondContact O-N 2.73Å; S306-R308 PolarHBondContact O-N 3.42Å; R308-R310 VanDerWaalsContact C-N 3.28Å; R308-R310 PolarHBondContact O-N 3.39Å; R308-I311 PolarHBondContact O-N 3.38Å; R308-V312 WeakPolarHBondContact O-CG2 3.5Å; R308-V312 PolarHBondContact O-N 2.88Å
309	S	91.1	Very high	85.9	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-36.5	175.7	-55.7	0	0	0	0	111.6	D168 N305 S306 V312 H313	D168-S309 PolarHBondContact O-OG 3.16Å; N305-S309 PolarHBondContact O-N 3.41Å; N305-S309 VanDerWaalsContact O-N 3.11Å; N305-S309 PolarHBondContact O-OG 3.45Å; S306-S309 PolarHBondContact O-N 3.1Å; S309-V312 PolarHBondContact O-N 3.26Å; S309-H313 WeakPolarHBondContact O-CB 3.47Å; S309-H313 PolarHBondContact O-N 3.44Å
310	R	88.7	Confident	86.2	Confident	36 Å²	36	35.2 Å²	35.2	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-44.2	175.7	-164.4	171.7	80	-156.4	10.1	112.5	S306 T307 R308 V312 H313 H314 E393 M816 P817	S306-R310 WeakPolarHBondContact O-CB 3.2Å; S306-R310 PolarHBondContact O-N 3.41Å; T307-R310 WeakPolarHBondContact O-CB 3.28Å; T307-R310 PolarHBondContact O-N 3.35Å; R308-R310 VanDerWaalsContact C-N 3.28Å; R308-R310 PolarHBondContact O-N 3.39Å; R310-V312 PolarHBondContact O-N 2.86Å; R310-H313 PolarHBondContact O-N 3.17Å; R310-H314 WeakPolarHBondContact O-CB 3.49Å; R310-H314 PolarHBondContact O-N 3.19Å; R310-E393 IonicContact NH1-OE1 2.65Å; R310-E393 PolarHBondContact NH1-OE1 3.07Å; R310-E393 IonicContact NH1-OE2 2.68Å; R310-M816 HydrophobicContact CB-CE 3.97Å; R310-P817 WeakPolarHBondContact CD-O 3.43Å
311	I	90.1	Very high	86.6	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-47.1	172.9	-66.7	158.8	0	0	0	111	L220 Y223 A224 M227 I229 F303 T307 R308 H313 H314 V315	L220-I311 HydrophobicContact CB-CD1 4.47Å; L220-I311 HydrophobicContact CD2-CB 3.97Å; L220-I311 HydrophobicContact CD2-CD1 3.52Å; L220-I311 HydrophobicContact CD2-CG1 4.35Å; L220-I311 HydrophobicContact CD2-CG2 3.86Å; Y223-I311 HydrophobicContact CD2-CG2 4.47Å; Y223-I311 HydrophobicContact CG-CG2 4.34Å; A224-I311 HydrophobicContact CB-CD1 4.49Å; M227-I311 HydrophobicContact CE-CB 4.06Å; M227-I311 HydrophobicContact CE-CG1 3.5Å; M227-I311 VanDerWaalsContact CE-CG1 3.5Å; M227-I311 HydrophobicContact CE-CG2 4.36Å; I229-I311 HydrophobicContact CD1-CD1 4.09Å; I229-I311 HydrophobicContact CD1-CG1 4Å; F303-I311 HydrophobicContact CD1-CD1 4.18Å; F303-I311 HydrophobicContact CE1-CD1 4.33Å; T307-I311 HydrophobicContact CG2-CD1 4.21Å; T307-I311 WeakPolarHBondContact O-CG1 3.39Å; T307-I311 PolarHBondContact O-N 2.77Å; R308-I311 PolarHBondContact O-N 3.38Å; I311-H313 PolarHBondContact O-N 3.47Å; I311-H314 PolarHBondContact O-N 2.89Å; I311-V315 WeakPolarHBondContact O-CG2 3.33Å; I311-V315 PolarHBondContact O-N 3.16Å
312	V	92.3	Very high	86.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-38.6	178.5	177.7	0	0	0	0	112.2	D168 Y169 L195 V213 A215 R308 S309 R310 V315 L316	D168-V312 HydrophobicContact CB-CG2 4.02Å; Y169-V312 HydrophobicContact CD2-CG1 4.33Å; Y169-V312 HydrophobicContact CG-CG1 4.04Å; L195-V312 HydrophobicContact CD1-CG1 4.46Å; L195-V312 HydrophobicContact CD2-CG2 4.22Å; V213-V312 HydrophobicContact CB-CG1 4.28Å; V213-V312 HydrophobicContact CG1-CG1 3.7Å; A215-V312 HydrophobicContact CB-CG2 3.72Å; R308-V312 WeakPolarHBondContact O-CG2 3.5Å; R308-V312 PolarHBondContact O-N 2.88Å; S309-V312 PolarHBondContact O-N 3.26Å; R310-V312 PolarHBondContact O-N 2.86Å; V312-V315 PolarHBondContact O-N 2.85Å; V312-L316 HydrophobicContact CG1-CD1 3.87Å; V312-L316 HydrophobicContact CG1-CG 4.36Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.13Å
313	H	89.8	Confident	86.1	Confident	34 Å²	34	32.2 Å²	32.2	16%	0.157	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-43.6	177.3	-167.8	86	0	0	0	112.2	Y169 S309 R310 I311 V315 L316 Q317 M816	Y169-H313 HydrophobicContact CE2-CB 4.04Å; Y169-H313 AromaticContact CE2-ND1 3.73Å; Y169-H313 AromaticContact CZ-ND1 3.55Å; Y169-H313 PolarHBondContact OH-ND1 3.11Å; S309-H313 WeakPolarHBondContact O-CB 3.47Å; S309-H313 PolarHBondContact O-N 3.44Å; R310-H313 PolarHBondContact O-N 3.17Å; I311-H313 PolarHBondContact O-N 3.47Å; H313-V315 VanDerWaalsContact C-N 3.34Å; H313-V315 PolarHBondContact O-N 3.45Å; H313-L316 PolarHBondContact O-N 2.89Å; H313-Q317 PolarHBondContact CD2-NE2 3.13Å; H313-Q317 VanDerWaalsContact CD2-NE2 3.28Å; H313-Q317 PolarHBondContact NE2-NE2 2.87Å; H313-Q317 WeakPolarHBondContact O-CG 3.21Å; H313-Q317 PolarHBondContact O-N 2.72Å; H313-M816 HydrophobicContact CB-CE 4.29Å; H313-M816 HydrophobicContact CB-CG 4.34Å; H313-M816 HydrophobicContact CB-SD 3.73Å
314	H	87.1	Confident	85.1	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.032	17%	0.173	C	C	.	.	H	α-helix	trans	-56	-45.6	173.9	174.6	103.6	0	0	0	112	Y223 M227 R310 I311 Q317 R318 E515	Y223-H314 AromaticContact CD1-CD2 3.9Å; M227-H314 HydrophobicContact CE-CB 4.24Å; M227-H314 HydrophobicContact SD-CB 3.91Å; M227-H314 PolarHBondContact SD-ND1 3.43Å; M227-H314 VanDerWaalsContact SD-ND1 3.4Å; R310-H314 WeakPolarHBondContact O-CB 3.49Å; R310-H314 PolarHBondContact O-N 3.19Å; I311-H314 PolarHBondContact O-N 2.89Å; H314-Q317 PolarHBondContact O-N 3.24Å; H314-R318 PolarHBondContact CE1-NE 2.73Å; H314-R318 PolarHBondContact CE1-NH1 3.45Å; H314-R318 PolarHBondContact O-N 2.95Å; H314-E515 IonicContact CE1-OE1 2.74Å; H314-E515 PolarHBondContact CE1-OE1 3.01Å; H314-E515 IonicContact CE1-OE2 3.9Å; H314-E515 PolarHBondContact CE1-OE2 2.76Å; H314-E515 IonicContact CG-OE1 2.68Å; H314-E515 VanDerWaalsContact ND1-CD 3.29Å; H314-E515 IonicContact ND1-OE1 2.81Å; H314-E515 PolarHBondContact ND1-OE1 2.68Å; H314-E515 IonicContact ND1-OE2 3.91Å; H314-E515 PolarHBondContact ND1-OE2 3.05Å; H314-E515 VanDerWaalsContact ND1-OE2 3.15Å
315	V	90.1	Very high	84	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-47.2	175.4	-179.1	0	0	0	0	111.1	L190 E193 L195 Y223 I311 V312 H313 Q317 R318 T319	L190-V315 HydrophobicContact CD2-CG1 4.28Å; E193-V315 HydrophobicContact CB-CG1 4.27Å; L195-V315 HydrophobicContact CD1-CB 4.1Å; L195-V315 HydrophobicContact CD1-CG1 3.64Å; L195-V315 HydrophobicContact CG-CG1 4.39Å; Y223-V315 HydrophobicContact CD1-CG2 4.05Å; Y223-V315 HydrophobicContact CD2-CG2 3.59Å; Y223-V315 HydrophobicContact CE1-CG2 3.88Å; Y223-V315 HydrophobicContact CE2-CG2 3.4Å; Y223-V315 VanDerWaalsContact CE2-CG2 3.4Å; Y223-V315 HydrophobicContact CG-CG2 3.92Å; I311-V315 WeakPolarHBondContact O-CG2 3.33Å; I311-V315 PolarHBondContact O-N 3.16Å; V312-V315 PolarHBondContact O-N 2.85Å; H313-V315 VanDerWaalsContact C-N 3.34Å; H313-V315 PolarHBondContact O-N 3.45Å; V315-Q317 VanDerWaalsContact C-N 3.26Å; V315-Q317 PolarHBondContact O-N 3.29Å; V315-R318 PolarHBondContact O-N 2.9Å; V315-R318 VanDerWaalsContact O-N 3.1Å; V315-T319 HydrophobicContact CG1-CG2 3.87Å; V315-T319 WeakPolarHBondContact O-CG2 3.32Å; V315-T319 PolarHBondContact O-N 3.29Å; V315-T319 PolarHBondContact O-OG1 3.23Å; V315-T319 VanDerWaalsContact O-OG1 3.09Å
316	L	90.1	Very high	82.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-28.8	178.2	-71.1	165	0	0	0	113.6	Y169 L171 F186 L190 V312 H313 I330	Y169-L316 HydrophobicContact CD1-CD1 3.54Å; Y169-L316 HydrophobicContact CD2-CD1 4.47Å; Y169-L316 HydrophobicContact CE1-CD1 3.75Å; Y169-L316 HydrophobicContact CG-CD1 3.96Å; L171-L316 HydrophobicContact CD1-CD2 4.13Å; L171-L316 HydrophobicContact CD2-CD1 4.06Å; L171-L316 HydrophobicContact CD2-CD2 4.18Å; F186-L316 HydrophobicContact CE1-CD2 4.11Å; F186-L316 HydrophobicContact CZ-CD2 4.18Å; L190-L316 HydrophobicContact CD1-CD2 3.84Å; L190-L316 HydrophobicContact CD2-CD2 3.65Å; L190-L316 HydrophobicContact CD2-CG 4.39Å; L190-L316 HydrophobicContact CG-CD2 4.42Å; V312-L316 HydrophobicContact CG1-CD1 3.87Å; V312-L316 HydrophobicContact CG1-CG 4.36Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.13Å; H313-L316 PolarHBondContact O-N 2.89Å; L316-I330 HydrophobicContact CB-CB 4.36Å; L316-I330 HydrophobicContact CB-CG2 4Å; L316-I330 HydrophobicContact CD2-CD1 4.14Å; L316-I330 WeakPolarHBondContact O-CB 3.49Å; L316-I330 PolarHBondContact O-N 3Å
317	Q	86	Confident	82.3	Confident	34 Å²	34	42.1 Å²	42.1	16%	0.159	21%	0.208	C	C	.	.	H	α-helix	trans	-76.1	-29.8	174.3	-73.3	-166.5	5.1	0	0	113.5	H313 H314 V315 G329	H313-Q317 PolarHBondContact CD2-NE2 3.13Å; H313-Q317 VanDerWaalsContact CD2-NE2 3.28Å; H313-Q317 PolarHBondContact NE2-NE2 2.87Å; H313-Q317 WeakPolarHBondContact O-CG 3.21Å; H313-Q317 PolarHBondContact O-N 2.72Å; H314-Q317 PolarHBondContact O-N 3.24Å; V315-Q317 VanDerWaalsContact C-N 3.26Å; V315-Q317 PolarHBondContact O-N 3.29Å; Q317-G329 WeakPolarHBondContact O-CA 3.45Å
318	R	82.6	Confident	81.9	Confident	115 Å²	115	42.7 Å²	42.7	43%	0.434	21%	0.209	S	C	.	.	H	α-helix	trans	-101.2	-21.3	-172.7	-66.5	176.6	173.8	-146.5	-7.1	114.2	H314 V315 E515	H314-R318 PolarHBondContact CE1-NE 2.73Å; H314-R318 PolarHBondContact CE1-NH1 3.45Å; H314-R318 PolarHBondContact O-N 2.95Å; V315-R318 PolarHBondContact O-N 2.9Å; V315-R318 VanDerWaalsContact O-N 3.1Å; R318-E515 IonicContact CZ-OE2 3.14Å; R318-E515 IonicContact NE-OE2 2.81Å; R318-E515 PolarHBondContact NE-OE2 3.49Å; R318-E515 IonicContact NH2-OE2 2.71Å; R318-E515 PolarHBondContact NH2-OE2 3.32Å
319	T	87.1	Confident	81.4	Confident	8 Å²	8	42.3 Å²	42.3	5%	0.049	21%	0.209	C	C	.	.			trans	-63	139.7	176.8	42.7	0	0	0	0	113.3	F186 L190 E193 V315 G329	F186-T319 WeakPolarHBondContact CE2-OG1 3.39Å; F186-T319 WeakPolarHBondContact CZ-OG1 3.27Å; L190-T319 HydrophobicContact CD2-CG2 3.89Å; E193-T319 HydrophobicContact CG-CG2 4.07Å; V315-T319 HydrophobicContact CG1-CG2 3.87Å; V315-T319 WeakPolarHBondContact O-CG2 3.32Å; V315-T319 PolarHBondContact O-N 3.29Å; V315-T319 PolarHBondContact O-OG1 3.23Å; V315-T319 VanDerWaalsContact O-OG1 3.09Å; T319-G329 PolarHBondContact O-N 2.78Å
320	K	85	Confident	81.2	Confident	112 Å²	112	42.2 Å²	42.2	49%	0.487	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-86	144.9	179.1	-66.3	167.5	-175.3	166.8	0	111.3	N189 M328	N189-K320 PolarHBondContact ND2-O 2.88Å; K320-M328 HydrophobicContact CG-CB 4.07Å
321	Y	82.1	Confident	80.9	Confident	7 Å²	7	44 Å²	44	3%	0.027	22%	0.221	C	C	.	.	S	Bend	trans	-111.5	-15.6	176.4	64.2	-100.5	0	0	0	113.7	T185 K327 R332 L333	T185-Y321 WeakPolarHBondContact CB-O 3.49Å; T185-Y321 VanDerWaalsContact CG2-O 3.28Å; T185-Y321 WeakPolarHBondContact CG2-O 3.25Å; Y321-K327 VanDerWaalsContact CD1-O 3.3Å; Y321-K327 WeakPolarHBondContact CD1-O 3.1Å; Y321-K327 HydrophobicContact CE1-CB 4.27Å; Y321-K327 WeakPolarHBondContact CE1-O 3.49Å; Y321-K327 HydrophobicContact CE2-CB 4.07Å; Y321-K327 PolarHBondContact N-O 2.77Å; Y321-K327 VanDerWaalsContact N-O 3.16Å; Y321-R332 HydrophobicContact CE1-CB 4.47Å; Y321-R332 WeakPolarHBondContact OH-CD 3.29Å; Y321-L333 HydrophobicContact CD1-CD1 4.25Å; Y321-L333 HydrophobicContact CD1-CD2 3.83Å; Y321-L333 HydrophobicContact CD1-CG 3.92Å; Y321-L333 HydrophobicContact CD2-CD2 4.04Å; Y321-L333 HydrophobicContact CE1-CD2 4.29Å; Y321-L333 HydrophobicContact CE1-CG 4.44Å; Y321-L333 HydrophobicContact CE2-CD2 4.49Å; Y321-L333 HydrophobicContact CG-CD1 4.37Å; Y321-L333 HydrophobicContact CG-CD2 3.72Å; Y321-L333 HydrophobicContact CG-CG 4.22Å
322	E	79.3	Confident	80.6	Confident	50 Å²	50	49.9 Å²	49.9	23%	0.234	24%	0.243	C	C	.	.	S	Bend	trans	-150.6	157.6	175.3	-86.8	175.2	-120.6	0	0	108.1	K182 G324 K327	K182-E322 VanDerWaalsContact CD-OE1 3.25Å; K182-E322 WeakPolarHBondContact CD-OE1 3.39Å; K182-E322 WeakPolarHBondContact CE-OE1 3.46Å; K182-E322 IonicContact NZ-OE1 3.14Å; K182-E322 PolarHBondContact NZ-OE1 2.75Å; E322-G324 PolarHBondContact O-N 2.95Å; E322-K327 HydrophobicContact CB-CB 4.02Å; E322-K327 HydrophobicContact CB-CD 3.39Å; E322-K327 HydrophobicContact CB-CG 4.39Å; E322-K327 HydrophobicContact CG-CD 4.27Å; E322-K327 VanDerWaalsContact OE2-CD 3.29Å; E322-K327 WeakPolarHBondContact OE2-CD 3.4Å; E322-K327 WeakPolarHBondContact OE2-CE 3.49Å; E322-K327 IonicContact OE2-NZ 3.28Å; E322-K327 PolarHBondContact OE2-NZ 3.47Å
323	D	70	Confident	80.2	Confident	150 Å²	150	49.9 Å²	49.9	80%	0.802	24%	0.243	S	C	*	.	S	Bend	trans	-70	129.9	174.6	-63.6	-64.1	0	0	0	112.3	K327	D323-K327 PolarHBondContact O-NZ 2.92Å
324	G	64.4	Low	80	Confident	38 Å²	38	50.5 Å²	50.5	39%	0.392	25%	0.247	S	C	.	.	S	Bend	trans	141.2	141.7	180	0	0	0	0	0	113.2	E322 S326 K327	E322-G324 PolarHBondContact O-N 2.95Å; G324-S326 PolarHBondContact O-N 2.86Å; G324-K327 PolarHBondContact O-N 3.31Å
325	K	60.3	Low	79.8	Confident	137 Å²	137	53 Å²	53	60%	0.596	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-22.3	-176.9	-79.5	-159	178.3	-167	0	114.8	S525 E528	K325-S525 PolarHBondContact NZ-O 3.07Å; K325-E528 IonicContact NZ-OE1 3.85Å; K325-E528 PolarHBondContact NZ-OE1 2.79Å
326	S	62.5	Low	79.5	Confident	51 Å²	51	56.1 Å²	56.1	36%	0.357	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	9.3	-174.8	59.1	0	0	0	0	115.1	G324 R332	G324-S326 PolarHBondContact O-N 2.86Å; S326-R332 PolarHBondContact O-NH1 2.96Å
327	K	73.2	Confident	79.2	Confident	67 Å²	67	62.4 Å²	62.4	29%	0.291	33%	0.325	S	S	.	.			trans	-111.3	55.8	-173.7	-58.8	-172.1	-169.1	170.1	0	112.7	Y321 E322 D323 G324	Y321-K327 VanDerWaalsContact CD1-O 3.3Å; Y321-K327 WeakPolarHBondContact CD1-O 3.1Å; Y321-K327 HydrophobicContact CE1-CB 4.27Å; Y321-K327 WeakPolarHBondContact CE1-O 3.49Å; Y321-K327 HydrophobicContact CE2-CB 4.07Å; Y321-K327 PolarHBondContact N-O 2.77Å; Y321-K327 VanDerWaalsContact N-O 3.16Å; E322-K327 HydrophobicContact CB-CB 4.02Å; E322-K327 HydrophobicContact CB-CD 3.39Å; E322-K327 HydrophobicContact CB-CG 4.39Å; E322-K327 HydrophobicContact CG-CD 4.27Å; E322-K327 VanDerWaalsContact OE2-CD 3.29Å; E322-K327 WeakPolarHBondContact OE2-CD 3.4Å; E322-K327 WeakPolarHBondContact OE2-CE 3.49Å; E322-K327 IonicContact OE2-NZ 3.28Å; E322-K327 PolarHBondContact OE2-NZ 3.47Å; D323-K327 PolarHBondContact O-NZ 2.92Å; G324-K327 PolarHBondContact O-N 3.31Å
328	M	78.4	Confident	79.3	Confident	33 Å²	33	60.9 Å²	60.9	16%	0.163	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-125.8	158.9	-177.7	68.6	-157.2	-171.1	0	0	112.6	K320 P518 E521	K320-M328 HydrophobicContact CG-CB 4.07Å; M328-P518 HydrophobicContact CE-CB 4.23Å; M328-E521 HydrophobicContact CE-CB 3.94Å; M328-E521 WeakPolarHBondContact CE-OE2 3.4Å
329	G	79.9	Confident	79.6	Confident	4 Å²	4	55.4 Å²	55.4	4%	0.041	30%	0.297	C	S	.	.			trans	86.3	137.9	165.7	0	0	0	0	0	116.7	Q317 T319 N331 R332	Q317-G329 WeakPolarHBondContact O-CA 3.45Å; T319-G329 PolarHBondContact O-N 2.78Å; G329-N331 VanDerWaalsContact C-N 3.26Å; G329-N331 PolarHBondContact O-N 2.87Å; G329-R332 PolarHBondContact O-N 3.32Å
330	I	85.8	Confident	79.6	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-29.7	-178.7	-168	154.5	0	0	0	113.9	L171 F186 L316 R332 L333 L334 A342	L171-I330 HydrophobicContact CD1-CD1 4.27Å; L171-I330 HydrophobicContact CD2-CD1 3.53Å; F186-I330 HydrophobicContact CE1-CD1 4.35Å; F186-I330 HydrophobicContact CZ-CB 4.09Å; L316-I330 HydrophobicContact CB-CB 4.36Å; L316-I330 HydrophobicContact CB-CG2 4Å; L316-I330 HydrophobicContact CD2-CD1 4.14Å; L316-I330 WeakPolarHBondContact O-CB 3.49Å; L316-I330 PolarHBondContact O-N 3Å; I330-R332 PolarHBondContact O-N 3.47Å; I330-L333 CarbonylContact O-C 3.57Å; I330-L333 WeakPolarHBondContact O-CA 3.48Å; I330-L333 WeakPolarHBondContact O-CB 3.25Å; I330-L333 PolarHBondContact O-N 3.15Å; I330-L334 HydrophobicContact CG1-CD1 4.31Å; I330-L334 HydrophobicContact CG1-CG 4.18Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 2.66Å; I330-A342 HydrophobicContact CD1-CB 3.51Å; I330-A342 HydrophobicContact CG1-CB 4.18Å
331	N	83.6	Confident	79.8	Confident	74 Å²	74	54 Å²	54	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-60.3	-33.4	-178.8	-64.8	-6.2	0	0	0	112.1	G329 G335	G329-N331 VanDerWaalsContact C-N 3.26Å; G329-N331 PolarHBondContact O-N 2.87Å; N331-G335 PolarHBondContact O-N 3.2Å; N331-G335 VanDerWaalsContact O-N 3.1Å
332	R	82.3	Confident	80.2	Confident	124 Å²	124	54.6 Å²	54.6	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-77.1	-31.9	174.9	-165.8	167.8	-172.3	178.9	5.3	112.5	Y321 S326 G329 I330 N336	Y321-R332 HydrophobicContact CE1-CB 4.47Å; Y321-R332 WeakPolarHBondContact OH-CD 3.29Å; S326-R332 PolarHBondContact O-NH1 2.96Å; G329-R332 PolarHBondContact O-N 3.32Å; I330-R332 PolarHBondContact O-N 3.47Å; R332-N336 WeakPolarHBondContact O-CB 3.41Å; R332-N336 VanDerWaalsContact O-CG 3.28Å; R332-N336 PolarHBondContact O-N 3.46Å
333	L	84.4	Confident	80.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-69.6	-33.4	173.9	-68.3	177.8	0	0	0	112.6	F186 Y321 I330 T338 Y339	F186-L333 HydrophobicContact CB-CD1 4.16Å; F186-L333 HydrophobicContact CD1-CD1 3.72Å; F186-L333 HydrophobicContact CD2-CD1 3.61Å; F186-L333 HydrophobicContact CE1-CD1 3.88Å; F186-L333 HydrophobicContact CE2-CD1 3.76Å; F186-L333 HydrophobicContact CG-CD1 3.56Å; F186-L333 HydrophobicContact CZ-CD1 3.91Å; Y321-L333 HydrophobicContact CD1-CD1 4.25Å; Y321-L333 HydrophobicContact CD1-CD2 3.83Å; Y321-L333 HydrophobicContact CD1-CG 3.92Å; Y321-L333 HydrophobicContact CD2-CD2 4.04Å; Y321-L333 HydrophobicContact CE1-CD2 4.29Å; Y321-L333 HydrophobicContact CE1-CG 4.44Å; Y321-L333 HydrophobicContact CE2-CD2 4.49Å; Y321-L333 HydrophobicContact CG-CD1 4.37Å; Y321-L333 HydrophobicContact CG-CD2 3.72Å; Y321-L333 HydrophobicContact CG-CG 4.22Å; I330-L333 CarbonylContact O-C 3.57Å; I330-L333 WeakPolarHBondContact O-CA 3.48Å; I330-L333 WeakPolarHBondContact O-CB 3.25Å; I330-L333 PolarHBondContact O-N 3.15Å; L333-T338 WeakPolarHBondContact CA-OG1 3.46Å; L333-T338 VanDerWaalsContact CB-OG1 3.29Å; L333-T338 WeakPolarHBondContact CB-OG1 3.49Å; L333-T338 WeakPolarHBondContact CD2-OG1 3.44Å; L333-T338 PolarHBondContact O-N 2.98Å; L333-T338 PolarHBondContact O-OG1 2.78Å; L333-Y339 HydrophobicContact CB-CD2 4.11Å; L333-Y339 HydrophobicContact CD1-CD2 4.3Å; L333-Y339 HydrophobicContact CD1-CE2 4.16Å; L333-Y339 PolarHBondContact O-N 3.34Å
334	L	86.1	Confident	81.8	Confident	47 Å²	47	45.8 Å²	45.8	25%	0.246	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-50.4	170.6	-67.1	169.4	0	0	0	111.1	I330 N336 N337 A342	I330-L334 HydrophobicContact CG1-CD1 4.31Å; I330-L334 HydrophobicContact CG1-CG 4.18Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 2.66Å; L334-N336 PolarHBondContact O-N 2.86Å; L334-N337 WeakPolarHBondContact O-CA 3.5Å; L334-N337 PolarHBondContact O-N 3.42Å; L334-A342 HydrophobicContact CD1-CB 4.18Å; L334-A342 HydrophobicContact CD2-CB 4.29Å
335	G	82.1	Confident	83.1	Confident	59 Å²	59	44.4 Å²	44.4	61%	0.608	24%	0.238	S	C	*	.	H	α-helix	trans	-59.2	-31.4	177.3	0	0	0	0	0	114	N331 N337	N331-G335 PolarHBondContact O-N 3.2Å; N331-G335 VanDerWaalsContact O-N 3.1Å; G335-N337 VanDerWaalsContact C-N 3.28Å; G335-N337 PolarHBondContact O-N 3.23Å
336	N	84.2	Confident	84.4	Confident	68 Å²	68	37.9 Å²	37.9	36%	0.364	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.1	174.1	-73.3	-1.4	0	0	0	114.2	Q179 R332 L334 T338	Q179-N336 PolarHBondContact NE2-O 2.96Å; R332-N336 WeakPolarHBondContact O-CB 3.41Å; R332-N336 VanDerWaalsContact O-CG 3.28Å; R332-N336 PolarHBondContact O-N 3.46Å; L334-N336 PolarHBondContact O-N 2.86Å; N336-T338 HydrophobicContact CB-CG2 3.9Å; N336-T338 PolarHBondContact O-N 2.97Å
337	N	83.9	Confident	85.2	Confident	131 Å²	131	36.5 Å²	36.5	70%	0.701	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	31.1	-176	-62.4	-76.4	0	0	0	114.8	L334 G335	L334-N337 WeakPolarHBondContact O-CA 3.5Å; L334-N337 PolarHBondContact O-N 3.42Å; G335-N337 VanDerWaalsContact C-N 3.28Å; G335-N337 PolarHBondContact O-N 3.23Å
338	T	87.2	Confident	85.5	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.012	19%	0.188	C	C	.	.	S	Bend	trans	-87.3	-35	177.3	69.7	0	0	0	0	112.1	Q179 L333 N336	Q179-T338 HydrophobicContact CB-CG2 3.68Å; Q179-T338 VanDerWaalsContact CD-CG2 3.47Å; Q179-T338 HydrophobicContact CG-CG2 4.09Å; L333-T338 WeakPolarHBondContact CA-OG1 3.46Å; L333-T338 VanDerWaalsContact CB-OG1 3.29Å; L333-T338 WeakPolarHBondContact CB-OG1 3.49Å; L333-T338 WeakPolarHBondContact CD2-OG1 3.44Å; L333-T338 PolarHBondContact O-N 2.98Å; L333-T338 PolarHBondContact O-OG1 2.78Å; N336-T338 HydrophobicContact CB-CG2 3.9Å; N336-T338 PolarHBondContact O-N 2.97Å
339	Y	89.9	Confident	85.5	Confident	1 Å²	1	33.9 Å²	33.9	0%	0.004	20%	0.199	C	C	.	.	S	Bend	trans	-110.7	151.1	154.4	-71.2	-80.2	0	0	0	107.7	L171 V172 Y173 R183 F186 L333	L171-Y339 HydrophobicContact CB-CD1 3.81Å; L171-Y339 HydrophobicContact CB-CE1 3.66Å; L171-Y339 HydrophobicContact CD1-CD1 4.48Å; L171-Y339 HydrophobicContact CD1-CE1 3.8Å; L171-Y339 HydrophobicContact CD1-CE2 4.44Å; L171-Y339 HydrophobicContact CG-CE1 4.38Å; V172-Y339 CarbonylContact O-C 3.52Å; V172-Y339 WeakPolarHBondContact O-CA 3.24Å; Y173-Y339 HydrophobicContact CD1-CD1 4.35Å; Y173-Y339 AromaticContact CD1-CE1 3.99Å; Y173-Y339 HydrophobicContact CD1-CE1 3.99Å; R183-Y339 HydrophobicContact CG-CE1 4.36Å; R183-Y339 HydrophobicContact CG-CE2 4.26Å; F186-Y339 AromaticContact CD1-CE2 3.79Å; F186-Y339 HydrophobicContact CD1-CE2 3.79Å; F186-Y339 HydrophobicContact CE1-CE2 4.06Å; L333-Y339 HydrophobicContact CB-CD2 4.11Å; L333-Y339 HydrophobicContact CD1-CD2 4.3Å; L333-Y339 HydrophobicContact CD1-CE2 4.16Å; L333-Y339 PolarHBondContact O-N 3.34Å
340	E	87.2	Confident	85.3	Confident	78 Å²	78	36.9 Å²	36.9	36%	0.364	21%	0.209	S	C	.	.	S	Bend	trans	-99	-28.3	179	-168.4	173.1	-170.3	0	0	112.1	V172 K174 W754	V172-E340 PolarHBondContact O-N 3.18Å; K174-E340 WeakPolarHBondContact CE-OE2 3.44Å; K174-E340 IonicContact NZ-OE1 2.66Å; K174-E340 PolarHBondContact NZ-OE1 3.44Å; K174-E340 IonicContact NZ-OE2 3.97Å; K174-E340 PolarHBondContact NZ-OE2 3.11Å; E340-W754 HydrophobicContact CB-CH2 4.39Å; E340-W754 HydrophobicContact CG-CH2 3.87Å
341	A	88.4	Confident	84.7	Confident	11 Å²	11	43.3 Å²	43.3	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	161.9	168.7	0	0	0	0	0	112.1	V172 F343 W754	V172-A341 HydrophobicContact CB-CB 4.5Å; V172-A341 HydrophobicContact CG2-CB 4.34Å; V172-A341 PolarHBondContact N-O 3.04Å; A341-F343 HydrophobicContact CB-CD1 4.05Å; A341-F343 HydrophobicContact CB-CE1 4.29Å; A341-W754 HydrophobicContact CB-CE3 4.32Å; A341-W754 HydrophobicContact CB-CZ3 3.61Å
342	A	91.1	Very high	84	Confident	20 Å²	20	41.2 Å²	41.2	17%	0.165	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	109.1	177	0	0	0	0	0	108.5	Y169 I170 L171 I330 L334	Y169-A342 HydrophobicContact CE1-CB 3.9Å; Y169-A342 PolarHBondContact OH-O 3.33Å; I170-A342 CarbonylContact O-C 3.56Å; I170-A342 WeakPolarHBondContact O-CA 3.5Å; L171-A342 HydrophobicContact CD2-CB 3.76Å; I330-A342 HydrophobicContact CD1-CB 3.51Å; I330-A342 HydrophobicContact CG1-CB 4.18Å; L334-A342 HydrophobicContact CD1-CB 4.18Å; L334-A342 HydrophobicContact CD2-CB 4.29Å
343	F	91.8	Very high	82.9	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.053	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	152.9	-173.2	60.1	-87.2	0	0	0	113.7	I170 V172 A341 D753 W754	I170-F343 HydrophobicContact CB-CE2 4.45Å; I170-F343 HydrophobicContact CB-CZ 4.49Å; I170-F343 HydrophobicContact CD1-CD2 4.39Å; I170-F343 HydrophobicContact CD1-CE2 3.86Å; I170-F343 HydrophobicContact CD1-CZ 4.42Å; I170-F343 HydrophobicContact CG2-CE1 4.47Å; I170-F343 HydrophobicContact CG2-CZ 4.23Å; I170-F343 PolarHBondContact N-O 2.85Å; I170-F343 PolarHBondContact O-N 3.41Å; V172-F343 HydrophobicContact CG2-CE1 3.73Å; V172-F343 HydrophobicContact CG2-CZ 4.45Å; A341-F343 HydrophobicContact CB-CD1 4.05Å; A341-F343 HydrophobicContact CB-CE1 4.29Å; F343-D753 HydrophobicContact CE2-CB 4.04Å; F343-W754 HydrophobicContact CE1-CE3 4.04Å; F343-W754 HydrophobicContact CZ-CB 4.17Å
344	P	92.1	Very high	81.9	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.019	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-77.5	143.6	171.2	31.5	-33.1	0	0	0	111.6	Y169 R814 M816	Y169-P344 HydrophobicContact CD2-CB 4.22Å; Y169-P344 HydrophobicContact CE2-CB 4.3Å; Y169-P344 HydrophobicContact CE2-CG 4.46Å; P344-R814 HydrophobicContact CG-CB 4.26Å; P344-R814 HydrophobicContact CG-CG 4.28Å; P344-M816 HydrophobicContact CG-SD 4.3Å
345	P	89.9	Confident	80.7	Confident	9 Å²	9	51 Å²	51	6%	0.058	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.1	150.5	176	25.4	-31.9	0	0	0	113	L158 I167 I170 R814	L158-P345 HydrophobicContact CD2-CB 4.37Å; I167-P345 HydrophobicContact CB-CG 4.48Å; I167-P345 HydrophobicContact CG2-CG 4.13Å; I167-P345 WeakPolarHBondContact O-CG 3.33Å; I170-P345 HydrophobicContact CD1-CB 3.78Å; I170-P345 HydrophobicContact CD1-CG 4.27Å; P345-R814 WeakPolarHBondContact O-CD 3.5Å; P345-R814 PolarHBondContact O-NH1 3.26Å; P345-R814 VanDerWaalsContact O-NH1 3.13Å
346	H	89.1	Confident	79.7	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-76.4	145.5	157.3	-71.7	-84.2	0	0	0	110.3	L158 G348 R365 Y390 Q749 D753 W812 R814	L158-H346 WeakPolarHBondContact CD2-O 3.42Å; H346-G348 PolarHBondContact O-N 3.45Å; H346-R365 VanDerWaalsContact CD2-CZ 3.49Å; H346-R365 PolarHBondContact CD2-NH1 2.92Å; H346-R365 PolarHBondContact CD2-NH2 3.43Å; H346-R365 VanDerWaalsContact CG-NH1 3.26Å; H346-R365 PolarHBondContact NE2-NH2 3.22Å; H346-Y390 AromaticContact ND1-CE1 3.98Å; H346-Y390 AromaticContact ND1-CZ 3.88Å; H346-Y390 PolarHBondContact ND1-OH 3.29Å; H346-Q749 VanDerWaalsContact O-CG 3.22Å; H346-Q749 WeakPolarHBondContact O-CG 3.43Å; H346-D753 WeakPolarHBondContact CB-OD2 3.27Å; H346-D753 IonicContact CD2-OD1 3.63Å; H346-D753 PolarHBondContact CD2-OD1 3.27Å; H346-D753 IonicContact CD2-OD2 2.89Å; H346-D753 IonicContact CG-OD2 2.73Å; H346-D753 PolarHBondContact N-OD2 3.47Å; H346-W812 PolarHBondContact NE2-O 2.98Å; H346-R814 PolarHBondContact NE2-N 3.13Å
347	E	78.3	Confident	78.5	Confident	21 Å²	21	55.8 Å²	55.8	10%	0.098	28%	0.277	C	S	.	.	S	Bend	trans	-69.8	48.8	174.7	-64.6	154.3	-147.8	0	0	113.2	N305 N363 Q364 Y390 R814	N305-E347 WeakPolarHBondContact CB-OE1 3.4Å; N305-E347 PolarHBondContact ND2-OE1 3.45Å; N305-E347 PolarHBondContact ND2-OE2 2.99Å; E347-N363 WeakPolarHBondContact O-CB 3.48Å; E347-N363 PolarHBondContact O-OD1 3.29Å; E347-N363 VanDerWaalsContact O-OD1 3.12Å; E347-Q364 WeakPolarHBondContact OE2-CB 3.48Å; E347-Q364 WeakPolarHBondContact OE2-CG 3.43Å; E347-Y390 HydrophobicContact CB-CE2 4.34Å; E347-Y390 HydrophobicContact CG-CE2 4.3Å; E347-R814 IonicContact OE1-CZ 3.98Å; E347-R814 IonicContact OE1-NH1 2.77Å; E347-R814 PolarHBondContact OE1-NH1 3.08Å; E347-R814 IonicContact OE1-NH2 2.73Å; E347-R814 PolarHBondContact OE1-NH2 3.45Å
348	G	80	Confident	77.2	Confident	9 Å²	9	54 Å²	54	9%	0.093	27%	0.271	C	S	.	.	S	Bend	trans	96.3	-161.3	174.2	0	0	0	0	0	116	H346 R365 Q749	H346-G348 PolarHBondContact O-N 3.45Å; G348-R365 WeakPolarHBondContact O-CD 3.3Å; G348-R365 PolarHBondContact O-NH1 2.96Å; G348-Q749 PolarHBondContact O-NE2 2.95Å
349	G	78.9	Confident	75.8	Confident	37 Å²	37	60 Å²	60	38%	0.381	30%	0.299	S	S	.	.			trans	-77.8	145.4	-175.9	0	0	0	0	0	113.8
350	Y	75.3	Confident	74.4	Confident	66 Å²	66	61.7 Å²	61.7	26%	0.259	32%	0.316	S	S	.	.	S	Bend	trans	-84.5	-10.8	179.6	71.6	-84.8	0	0	0	114.2	Y369 T810	Y350-Y369 HydrophobicContact CD2-CD1 4.01Å; Y350-Y369 AromaticContact CD2-CD2 3.73Å; Y350-Y369 HydrophobicContact CD2-CD2 3.73Å; Y350-Y369 HydrophobicContact CD2-CE1 4.06Å; Y350-Y369 AromaticContact CD2-CE2 3.76Å; Y350-Y369 HydrophobicContact CD2-CE2 3.76Å; Y350-Y369 AromaticContact CD2-CG 3.86Å; Y350-Y369 HydrophobicContact CD2-CG 3.86Å; Y350-Y369 AromaticContact CD2-CZ 3.93Å; Y350-Y369 HydrophobicContact CE2-CD2 4.43Å; Y350-Y369 HydrophobicContact CE2-CE1 4.37Å; Y350-Y369 HydrophobicContact CE2-CE2 4Å; Y350-Y369 AromaticContact CE2-CZ 3.98Å; Y350-Y369 WeakPolarHBondContact O-CD1 3.48Å; Y350-T810 HydrophobicContact CD1-CG2 4.49Å; Y350-T810 HydrophobicContact CD2-CG2 3.69Å; Y350-T810 HydrophobicContact CE2-CG2 3.87Å; Y350-T810 HydrophobicContact CG-CG2 4.03Å
351	K	73.8	Confident	73.1	Confident	137 Å²	137	60.4 Å²	60.4	60%	0.596	32%	0.318	S	S	*	.			trans	-118.7	126.4	172.2	-57.4	-171	-176.5	-175.1	0	110.1	Y369	K351-Y369 HydrophobicContact CG-CE1 4.44Å
352	S	67.1	Low	72.2	Confident	30 Å²	30	64.8 Å²	64.8	21%	0.21	34%	0.337	C	S	.	.			trans	-81.9	178.4	163.2	66	0	0	0	0	111.2	H354 H366	S352-H354 PolarHBondContact OG-N 3.08Å; S352-H354 PolarHBondContact OG-O 3.09Å; S352-H366 VanDerWaalsContact CB-CE1 3.45Å; S352-H366 WeakPolarHBondContact CB-CE1 3.46Å; S352-H366 PolarHBondContact OG-CE1 2.98Å; S352-H366 PolarHBondContact OG-NE2 3.01Å
353	R	60.5	Low	71.5	Confident	215 Å²	215	66.6 Å²	66.6	81%	0.811	34%	0.344	S	S	*	.	S	Bend	trans	-92.9	-11.1	161.8	-77.2	178.9	161.1	-150.3	-11.7	113.5
354	H	63.1	Low	70.9	Confident	86 Å²	86	68.4 Å²	68.4	40%	0.398	35%	0.353	S	S	.	.	S	Bend	trans	-128.8	128.8	-167.6	-62.5	-90.4	0	0	0	110	S352 H359	S352-H354 PolarHBondContact OG-N 3.08Å; S352-H354 PolarHBondContact OG-O 3.09Å; H354-H359 HydrophobicContact CB-CB 4.36Å; H354-H359 AromaticContact CG-CD2 3.91Å; H354-H359 AromaticContact ND1-CD2 3.75Å; H354-H359 AromaticContact ND1-NE2 3.57Å
355	P	61	Low	70.6	Confident	75 Å²	75	68.7 Å²	68.7	49%	0.487	35%	0.353	S	S	.	.			trans	-60.4	145.5	-180	-23.9	34.1	0	0	0	113	K357 T358 H359	P355-K357 PolarHBondContact O-N 3.09Å; P355-K357 VanDerWaalsContact O-N 3.08Å; P355-T358 PolarHBondContact O-N 3.32Å; P355-T358 PolarHBondContact O-OG1 3.36Å; P355-H359 PolarHBondContact O-N 3.23Å
356	I	61.9	Low	70.3	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-57.4	-28.9	178.2	-67.6	179.6	0	0	0	112.4	T358 G360 A361 H366 L367 E370	I356-T358 VanDerWaalsContact C-N 3.26Å; I356-T358 PolarHBondContact O-N 2.71Å; I356-G360 WeakPolarHBondContact CA-O 3.43Å; I356-G360 WeakPolarHBondContact O-CA 2.99Å; I356-G360 PolarHBondContact O-N 3.29Å; I356-A361 HydrophobicContact CD1-CB 4.38Å; I356-H366 WeakPolarHBondContact CG1-CE1 3.46Å; I356-L367 HydrophobicContact CD1-CD1 4.15Å; I356-E370 HydrophobicContact CD1-CB 3.67Å; I356-E370 HydrophobicContact CD1-CG 4.17Å; I356-E370 WeakPolarHBondContact CG1-OE2 3.5Å
357	K	58.4	Low	70	Confident	208 Å²	208	69.1 Å²	69.1	90%	0.904	36%	0.355	S	S	*	.	H	α-helix	trans	-64.7	-20	177.8	-72.6	-164.9	175.5	-168.3	0	115.1	P355	P355-K357 PolarHBondContact O-N 3.09Å; P355-K357 VanDerWaalsContact O-N 3.08Å
358	T	56.1	Low	70.5	Confident	95 Å²	95	68.1 Å²	68.1	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-116.4	-21	-174.5	52.3	0	0	0	0	114.6	P355 I356	P355-T358 PolarHBondContact O-N 3.32Å; P355-T358 PolarHBondContact O-OG1 3.36Å; I356-T358 VanDerWaalsContact C-N 3.26Å; I356-T358 PolarHBondContact O-N 2.71Å
359	H	56.9	Low	70.8	Confident	128 Å²	128	69.6 Å²	69.6	59%	0.593	35%	0.354	S	S	*	.	H	α-helix	trans	-134.7	12	179.3	-64.1	-90.1	0	0	0	114.1	H354 P355	H354-H359 HydrophobicContact CB-CB 4.36Å; H354-H359 AromaticContact CG-CD2 3.91Å; H354-H359 AromaticContact ND1-CD2 3.75Å; H354-H359 AromaticContact ND1-NE2 3.57Å; P355-H359 PolarHBondContact O-N 3.23Å
360	G	61.3	Low	71.1	Confident	36 Å²	36	70.1 Å²	70.1	37%	0.371	35%	0.346	S	S	.	.			trans	71.2	-171.1	-174.9	0	0	0	0	0	113.4	I356	I356-G360 WeakPolarHBondContact CA-O 3.43Å; I356-G360 WeakPolarHBondContact O-CA 2.99Å; I356-G360 PolarHBondContact O-N 3.29Å
361	A	60.9	Low	71.4	Confident	50 Å²	50	69.6 Å²	69.6	41%	0.413	34%	0.343	S	S	.	.			trans	-88.3	126.3	176.7	0	0	0	0	0	110.6	I356 L367	I356-A361 HydrophobicContact CD1-CB 4.38Å; A361-L367 HydrophobicContact CB-CB 4Å; A361-L367 HydrophobicContact CB-CD1 4.12Å; A361-L367 HydrophobicContact CB-CD2 4.48Å; A361-L367 HydrophobicContact CB-CG 4.43Å
362	Q	67.9	Low	72.1	Confident	104 Å²	104	63 Å²	63	49%	0.486	32%	0.315	S	S	.	.	S	Bend	trans	-78.7	-31.8	-179.6	-65.5	-171.1	-43.9	0	0	112.8
363	N	77.2	Confident	73	Confident	58 Å²	58	61.6 Å²	61.6	31%	0.31	31%	0.305	S	S	.	.	S	Bend	trans	-150.6	155.1	179.5	-63.5	-65.4	0	0	0	110.4	E347 R365 H366 L367	E347-N363 WeakPolarHBondContact O-CB 3.48Å; E347-N363 PolarHBondContact O-OD1 3.29Å; E347-N363 VanDerWaalsContact O-OD1 3.12Å; N363-R365 VanDerWaalsContact C-N 3.28Å; N363-R365 PolarHBondContact O-N 2.94Å; N363-H366 HydrophobicContact CB-CB 4.46Å; N363-H366 WeakPolarHBondContact O-CB 3.46Å; N363-H366 PolarHBondContact O-N 3.11Å; N363-H366 VanDerWaalsContact O-N 3.07Å; N363-L367 PolarHBondContact O-N 3.47Å; N363-L367 VanDerWaalsContact O-N 3.07Å
364	Q	78.6	Confident	74.2	Confident	50 Å²	50	57.8 Å²	57.8	23%	0.234	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-36.7	177.2	-59.3	-170.3	2.6	0	0	112.6	E347 H366 L367 L368 Y390	E347-Q364 WeakPolarHBondContact OE2-CB 3.48Å; E347-Q364 WeakPolarHBondContact OE2-CG 3.43Å; Q364-H366 VanDerWaalsContact C-N 3.31Å; Q364-H366 PolarHBondContact O-N 3.43Å; Q364-L367 WeakPolarHBondContact O-CB 3.5Å; Q364-L367 PolarHBondContact O-N 3.34Å; Q364-L368 PolarHBondContact O-N 3.03Å; Q364-Y390 HydrophobicContact CB-CD2 3.77Å; Q364-Y390 HydrophobicContact CB-CE2 4.09Å
365	R	85.4	Confident	75.2	Confident	8 Å²	8	59 Å²	59	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-39.2	174.7	-164.5	-171.7	-170	158.8	12.2	112.7	H346 G348 N363 Y369 Y390 D753 V809	H346-R365 VanDerWaalsContact CD2-CZ 3.49Å; H346-R365 PolarHBondContact CD2-NH1 2.92Å; H346-R365 PolarHBondContact CD2-NH2 3.43Å; H346-R365 VanDerWaalsContact CG-NH1 3.26Å; H346-R365 PolarHBondContact NE2-NH2 3.22Å; G348-R365 WeakPolarHBondContact O-CD 3.3Å; G348-R365 PolarHBondContact O-NH1 2.96Å; N363-R365 VanDerWaalsContact C-N 3.28Å; N363-R365 PolarHBondContact O-N 2.94Å; R365-Y369 WeakPolarHBondContact O-CB 3.45Å; R365-Y369 PolarHBondContact O-N 3.09Å; R365-Y390 HydrophobicContact CB-CE2 4.43Å; R365-D753 IonicContact NH1-OD1 3.7Å; R365-D753 PolarHBondContact NH1-OD1 3.47Å; R365-V809 HydrophobicContact CG-CG1 4.13Å; R365-V809 PolarHBondContact NE-O 2.61Å; R365-V809 PolarHBondContact NH2-O 2.94Å
366	H	83.9	Confident	76.1	Confident	2 Å²	2	58 Å²	58	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-72.9	-39.6	179.2	169.2	-134.8	0	0	0	111.1	S352 I356 N363 Q364 Y369 E370	S352-H366 VanDerWaalsContact CB-CE1 3.45Å; S352-H366 WeakPolarHBondContact CB-CE1 3.46Å; S352-H366 PolarHBondContact OG-CE1 2.98Å; S352-H366 PolarHBondContact OG-NE2 3.01Å; I356-H366 WeakPolarHBondContact CG1-CE1 3.46Å; N363-H366 HydrophobicContact CB-CB 4.46Å; N363-H366 WeakPolarHBondContact O-CB 3.46Å; N363-H366 PolarHBondContact O-N 3.11Å; N363-H366 VanDerWaalsContact O-N 3.07Å; Q364-H366 VanDerWaalsContact C-N 3.31Å; Q364-H366 PolarHBondContact O-N 3.43Å; H366-Y369 PolarHBondContact O-N 2.81Å; H366-E370 IonicContact CD2-OE1 3.35Å; H366-E370 IonicContact CE1-OE1 3.22Å; H366-E370 IonicContact NE2-OE1 2.71Å; H366-E370 PolarHBondContact NE2-OE1 2.58Å; H366-E370 PolarHBondContact O-N 2.98Å
367	L	84.3	Confident	77.1	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-47.1	173	-177.7	60.8	0	0	0	112.4	L273 I356 A361 N363 Q364 E370 R371 L386	L273-L367 HydrophobicContact CD2-CD2 4.12Å; I356-L367 HydrophobicContact CD1-CD1 4.15Å; A361-L367 HydrophobicContact CB-CB 4Å; A361-L367 HydrophobicContact CB-CD1 4.12Å; A361-L367 HydrophobicContact CB-CD2 4.48Å; A361-L367 HydrophobicContact CB-CG 4.43Å; N363-L367 PolarHBondContact O-N 3.47Å; N363-L367 VanDerWaalsContact O-N 3.07Å; Q364-L367 WeakPolarHBondContact O-CB 3.5Å; Q364-L367 PolarHBondContact O-N 3.34Å; L367-E370 PolarHBondContact O-N 2.85Å; L367-R371 HydrophobicContact CD1-CG 4.09Å; L367-R371 VanDerWaalsContact CD1-CZ 3.45Å; L367-R371 VanDerWaalsContact CD1-NE 3.3Å; L367-R371 WeakPolarHBondContact O-CB 3.49Å; L367-R371 PolarHBondContact O-N 2.75Å; L367-L386 HydrophobicContact CB-CD2 4.47Å; L367-L386 HydrophobicContact CD2-CD1 4.16Å; L367-L386 HydrophobicContact CD2-CD2 3.68Å; L367-L386 HydrophobicContact CG-CD2 3.75Å
368	L	87.4	Confident	78.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-42.4	174.1	-78.8	164.1	0	0	0	111.8	Q364 W372 A373 L386 I387 Y390 F391 V809	Q364-L368 PolarHBondContact O-N 3.03Å; L368-W372 HydrophobicContact CD2-CE3 3.92Å; L368-W372 HydrophobicContact CD2-CZ3 4.39Å; L368-W372 WeakPolarHBondContact O-CB 3.38Å; L368-W372 PolarHBondContact O-N 3.43Å; L368-A373 PolarHBondContact O-N 2.95Å; L368-A373 VanDerWaalsContact O-N 3.16Å; L368-L386 HydrophobicContact CD2-CB 4.38Å; L368-L386 HydrophobicContact CD2-CD2 3.76Å; L368-L386 HydrophobicContact CD2-CG 3.83Å; L368-L386 HydrophobicContact CG-CD2 3.84Å; L368-L386 HydrophobicContact CG-CG 3.99Å; L368-I387 HydrophobicContact CD2-CG1 3.9Å; L368-Y390 HydrophobicContact CD1-CD1 3.71Å; L368-Y390 HydrophobicContact CD1-CD2 4.34Å; L368-Y390 HydrophobicContact CD1-CE1 4.42Å; L368-Y390 HydrophobicContact CD1-CG 3.66Å; L368-F391 HydrophobicContact CD1-CE2 4.16Å; L368-V809 HydrophobicContact CB-CG2 4.33Å
369	Y	87.8	Confident	79.2	Confident	40 Å²	40	56.3 Å²	56.3	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-47.9	177.7	-174.7	-105.1	0	0	0	112.6	Y350 K351 R365 H366 A373 R374 Y806 V809 T810	Y350-Y369 HydrophobicContact CD2-CD1 4.01Å; Y350-Y369 AromaticContact CD2-CD2 3.73Å; Y350-Y369 HydrophobicContact CD2-CD2 3.73Å; Y350-Y369 HydrophobicContact CD2-CE1 4.06Å; Y350-Y369 AromaticContact CD2-CE2 3.76Å; Y350-Y369 HydrophobicContact CD2-CE2 3.76Å; Y350-Y369 AromaticContact CD2-CG 3.86Å; Y350-Y369 HydrophobicContact CD2-CG 3.86Å; Y350-Y369 AromaticContact CD2-CZ 3.93Å; Y350-Y369 HydrophobicContact CE2-CD2 4.43Å; Y350-Y369 HydrophobicContact CE2-CE1 4.37Å; Y350-Y369 HydrophobicContact CE2-CE2 4Å; Y350-Y369 AromaticContact CE2-CZ 3.98Å; Y350-Y369 WeakPolarHBondContact O-CD1 3.48Å; K351-Y369 HydrophobicContact CG-CE1 4.44Å; R365-Y369 WeakPolarHBondContact O-CB 3.45Å; R365-Y369 PolarHBondContact O-N 3.09Å; H366-Y369 PolarHBondContact O-N 2.81Å; Y369-A373 HydrophobicContact CD2-CB 4.21Å; Y369-R374 PolarHBondContact O-N 3.15Å; Y369-Y806 HydrophobicContact CE2-CD2 4.01Å; Y369-Y806 HydrophobicContact CE2-CE2 4Å; Y369-V809 HydrophobicContact CD2-CG1 4.14Å; Y369-T810 HydrophobicContact CD2-CG2 3.75Å; Y369-T810 HydrophobicContact CE2-CG2 3.73Å
370	E	84.1	Confident	80.2	Confident	47 Å²	47	53.7 Å²	53.7	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-75.7	-28.7	-177.4	-89.1	-166.2	-145.9	0	0	114.5	I356 H366 L367 I377	I356-E370 HydrophobicContact CD1-CB 3.67Å; I356-E370 HydrophobicContact CD1-CG 4.17Å; I356-E370 WeakPolarHBondContact CG1-OE2 3.5Å; H366-E370 IonicContact CD2-OE1 3.35Å; H366-E370 IonicContact CE1-OE1 3.22Å; H366-E370 IonicContact NE2-OE1 2.71Å; H366-E370 PolarHBondContact NE2-OE1 2.58Å; H366-E370 PolarHBondContact O-N 2.98Å; L367-E370 PolarHBondContact O-N 2.85Å; E370-I377 WeakPolarHBondContact O-CD1 3.11Å
371	R	82.3	Confident	80.9	Confident	55 Å²	55	59.3 Å²	59.3	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-100.5	-17.1	-176.6	-62.1	-165.8	-173	170.5	12.5	115.3	A272 L367	A272-R371 PolarHBondContact O-NH1 2.79Å; A272-R371 PolarHBondContact O-NH2 3.47Å; L367-R371 HydrophobicContact CD1-CG 4.09Å; L367-R371 VanDerWaalsContact CD1-CZ 3.45Å; L367-R371 VanDerWaalsContact CD1-NE 3.3Å; L367-R371 WeakPolarHBondContact O-CB 3.49Å; L367-R371 PolarHBondContact O-N 2.75Å
372	W	86.9	Confident	81.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-52.5	-173.5	172.6	62.2	0	0	0	113.7	L368 R374 P383 I387 F391 F399 R802 A805 V809	L368-W372 HydrophobicContact CD2-CE3 3.92Å; L368-W372 HydrophobicContact CD2-CZ3 4.39Å; L368-W372 WeakPolarHBondContact O-CB 3.38Å; L368-W372 PolarHBondContact O-N 3.43Å; W372-R374 VanDerWaalsContact C-N 3.27Å; W372-R374 PolarHBondContact O-N 3.29Å; W372-P383 HydrophobicContact CB-CG 3.83Å; W372-P383 HydrophobicContact CG-CG 4.15Å; W372-I387 HydrophobicContact CD2-CD1 3.9Å; W372-I387 HydrophobicContact CD2-CG1 4.29Å; W372-I387 VanDerWaalsContact CE2-CD1 3.48Å; W372-I387 HydrophobicContact CE3-CD1 4.34Å; W372-I387 HydrophobicContact CE3-CG1 4.25Å; W372-I387 HydrophobicContact CG-CD1 4.44Å; W372-I387 HydrophobicContact CH2-CD1 4.05Å; W372-I387 HydrophobicContact CH2-CG1 4.17Å; W372-I387 HydrophobicContact CZ2-CD1 3.57Å; W372-I387 HydrophobicContact CZ2-CG1 4.19Å; W372-I387 HydrophobicContact CZ3-CD1 4.41Å; W372-I387 HydrophobicContact CZ3-CG1 4.2Å; W372-F391 HydrophobicContact CZ3-CE2 4.16Å; W372-F399 AromaticContact CH2-CD2 3.95Å; W372-F399 HydrophobicContact CH2-CD2 3.95Å; W372-F399 HydrophobicContact CH2-CE1 4.3Å; W372-F399 AromaticContact CH2-CE2 3.59Å; W372-F399 HydrophobicContact CH2-CE2 3.59Å; W372-F399 HydrophobicContact CH2-CG 4.45Å; W372-F399 AromaticContact CH2-CZ 3.8Å; W372-F399 HydrophobicContact CH2-CZ 3.8Å; W372-F399 AromaticContact CZ2-CD1 3.72Å; W372-F399 HydrophobicContact CZ2-CD1 3.72Å; W372-F399 AromaticContact CZ2-CD2 3.7Å; W372-F399 HydrophobicContact CZ2-CD2 3.7Å; W372-F399 AromaticContact CZ2-CE1 3.69Å; W372-F399 HydrophobicContact CZ2-CE1 3.69Å; W372-F399 AromaticContact CZ2-CE2 3.66Å; W372-F399 HydrophobicContact CZ2-CE2 3.66Å; W372-F399 AromaticContact CZ2-CG 3.74Å; W372-F399 HydrophobicContact CZ2-CG 3.74Å; W372-F399 AromaticContact CZ2-CZ 3.66Å; W372-F399 HydrophobicContact CZ2-CZ 3.66Å; W372-R802 PolarHBondContact O-NH1 3.39Å; W372-A805 HydrophobicContact CD2-CB 3.6Å; W372-A805 VanDerWaalsContact CE2-CB 3.45Å; W372-A805 HydrophobicContact CE3-CB 3.78Å; W372-A805 HydrophobicContact CG-CB 4.29Å; W372-A805 HydrophobicContact CH2-CB 3.74Å; W372-A805 HydrophobicContact CZ2-CB 3.54Å; W372-A805 HydrophobicContact CZ3-CB 3.85Å; W372-V809 HydrophobicContact CE3-CG2 4.2Å; W372-V809 HydrophobicContact CZ3-CG2 3.83Å
373	A	87.3	Confident	82.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-83.2	12.4	-174.8	0	0	0	0	0	115.5	L368 Y369 A805 V809	L368-A373 PolarHBondContact O-N 2.95Å; L368-A373 VanDerWaalsContact O-N 3.16Å; Y369-A373 HydrophobicContact CD2-CB 4.21Å; A373-A805 VanDerWaalsContact CB-C 3.49Å; A373-A805 HydrophobicContact CB-CB 3.78Å; A373-A805 VanDerWaalsContact CB-O 3.31Å; A373-A805 WeakPolarHBondContact CB-O 3.49Å; A373-V809 HydrophobicContact CB-CB 4.29Å; A373-V809 HydrophobicContact CB-CG2 4.2Å
374	R	85.3	Confident	83.1	Confident	135 Å²	135	52.5 Å²	52.5	51%	0.509	23%	0.231	S	C	.	.			trans	-99.7	114.9	178.7	-175.9	175.9	-178.6	174.5	-0.1	110.5	Y369 W372 G376 I377	Y369-R374 PolarHBondContact O-N 3.15Å; W372-R374 VanDerWaalsContact C-N 3.27Å; W372-R374 PolarHBondContact O-N 3.29Å; R374-G376 PolarHBondContact O-N 3.21Å; R374-I377 HydrophobicContact CB-CD1 4.28Å; R374-I377 WeakPolarHBondContact O-CB 3.34Å; R374-I377 PolarHBondContact O-N 3.09Å
375	W	83.6	Confident	83.3	Confident	112 Å²	112	53.1 Å²	53.1	42%	0.424	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-39.2	-44.4	178.8	-62.9	97.5	0	0	0	115.5	I377 W378 L714 I799 R802 L803	W375-I377 PolarHBondContact O-N 2.95Å; W375-W378 PolarHBondContact O-N 3.27Å; W375-L714 HydrophobicContact CZ2-CD2 4.35Å; W375-I799 HydrophobicContact CH2-CG2 4.49Å; W375-I799 HydrophobicContact CZ3-CG2 4.15Å; W375-R802 HydrophobicContact CE3-CB 4.16Å; W375-R802 HydrophobicContact CZ3-CB 4.28Å; W375-L803 HydrophobicContact CH2-CB 3.81Å; W375-L803 HydrophobicContact CH2-CG 3.98Å; W375-L803 HydrophobicContact CZ2-CB 4.46Å; W375-L803 HydrophobicContact CZ2-CG 4.44Å
376	G	80.4	Confident	83.2	Confident	53 Å²	53	53.2 Å²	53.2	55%	0.546	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-69.9	5.5	179.1	0	0	0	0	0	116.5	R374	R374-G376 PolarHBondContact O-N 3.21Å
377	I	82.3	Confident	83.5	Confident	30 Å²	30	53.1 Å²	53.1	15%	0.154	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-119.6	19.7	-177.8	-63.9	172.8	0	0	0	110.7	E370 R374 W375 Y379 K380 R802	E370-I377 WeakPolarHBondContact O-CD1 3.11Å; R374-I377 HydrophobicContact CB-CD1 4.28Å; R374-I377 WeakPolarHBondContact O-CB 3.34Å; R374-I377 PolarHBondContact O-N 3.09Å; W375-I377 PolarHBondContact O-N 2.95Å; I377-Y379 PolarHBondContact O-N 2.91Å; I377-K380 HydrophobicContact CG2-CB 3.9Å; I377-K380 HydrophobicContact CG2-CD 3.94Å; I377-K380 HydrophobicContact CG2-CG 3.9Å; I377-K380 PolarHBondContact O-N 3.45Å; I377-K380 VanDerWaalsContact O-N 3.08Å; I377-R802 PolarHBondContact O-NH2 3.01Å
378	W	80.1	Confident	83.6	Confident	150 Å²	150	54.2 Å²	54.2	57%	0.568	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-31.6	-179	66.5	-93.4	0	0	0	114.9	W375 K380 I798 R802	W375-W378 PolarHBondContact O-N 3.27Å; W378-K380 PolarHBondContact O-N 3.2Å; W378-I798 HydrophobicContact CB-CG2 4.32Å; W378-I798 HydrophobicContact CE3-CG2 3.96Å; W378-R802 PolarHBondContact O-NH2 3.1Å
379	Y	78.5	Confident	83.5	Confident	106 Å²	106	58.7 Å²	58.7	42%	0.416	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.3	-178.2	65.7	-91.4	0	0	0	115.8	M266 I377	M266-Y379 WeakPolarHBondContact CG-O 3.36Å; I377-Y379 PolarHBondContact O-N 2.91Å
380	K	77.6	Confident	83.5	Confident	74 Å²	74	56.8 Å²	56.8	32%	0.322	25%	0.249	S	C	.	.	S	Bend	trans	-96.5	143.5	-179.9	-64.8	-160	176.3	-164	0	113	I377 W378 R802	I377-K380 HydrophobicContact CG2-CB 3.9Å; I377-K380 HydrophobicContact CG2-CD 3.94Å; I377-K380 HydrophobicContact CG2-CG 3.9Å; I377-K380 PolarHBondContact O-N 3.45Å; I377-K380 VanDerWaalsContact O-N 3.08Å; W378-K380 PolarHBondContact O-N 3.2Å; K380-R802 PolarHBondContact O-NH2 3.47Å
381	Y	76.1	Confident	83.8	Confident	154 Å²	154	54.6 Å²	54.6	60%	0.604	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-58	151.9	172.4	-72.1	-60.1	0	0	0	111.9	M266	M266-Y381 HydrophobicContact CB-CD2 3.71Å; M266-Y381 HydrophobicContact CB-CE2 3.62Å; M266-Y381 VanDerWaalsContact O-CD2 3.26Å; M266-Y381 WeakPolarHBondContact O-CD2 3.34Å; M266-Y381 PolarHBondContact O-N 2.74Å; M266-Y381 HydrophobicContact SD-CE2 4.49Å
382	Q	81.6	Confident	84.1	Confident	32 Å²	32	52 Å²	52	15%	0.15	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-78.2	137.8	-175.4	-52.7	-164.7	53.8	0	0	111.5	L384 F399 I801	Q382-L384 VanDerWaalsContact C-N 3.27Å; Q382-L384 HydrophobicContact CB-CD2 4.07Å; Q382-L384 PolarHBondContact O-N 3.33Å; Q382-F399 PolarHBondContact NE2-O 2.95Å; Q382-I801 HydrophobicContact CG-CG2 4.31Å
383	P	86.3	Confident	84.1	Confident	7 Å²	7	53 Å²	53	5%	0.045	23%	0.233	C	C	.	.			trans	-83	68.4	178.7	35.8	-36.1	0	0	0	110.9	L268 W372 D385 L386 I387	L268-P383 HydrophobicContact CD2-CB 3.9Å; W372-P383 HydrophobicContact CB-CG 3.83Å; W372-P383 HydrophobicContact CG-CG 4.15Å; P383-D385 VanDerWaalsContact C-N 3.26Å; P383-D385 PolarHBondContact O-N 3.14Å; P383-D385 VanDerWaalsContact O-N 3.17Å; P383-L386 HydrophobicContact CB-CB 4.24Å; P383-L386 PolarHBondContact O-N 3.1Å; P383-L386 VanDerWaalsContact O-N 3.13Å; P383-I387 HydrophobicContact CG-CD1 4.37Å; P383-I387 HydrophobicContact CG-CG1 4.5Å; P383-I387 WeakPolarHBondContact O-CG1 3.42Å; P383-I387 PolarHBondContact O-N 3.06Å; P383-I387 VanDerWaalsContact O-N 3.11Å
384	L	84.4	Confident	84.1	Confident	29 Å²	29	55.3 Å²	55.3	15%	0.152	24%	0.243	C	C	.	.	H	α-helix	trans	-52.5	-40.8	-170.7	-62.5	178.7	0	0	0	113.4	Q382 L386 I387 R388 F399 A400 W504	Q382-L384 VanDerWaalsContact C-N 3.27Å; Q382-L384 HydrophobicContact CB-CD2 4.07Å; Q382-L384 PolarHBondContact O-N 3.33Å; L384-L386 VanDerWaalsContact C-N 3.34Å; L384-L386 PolarHBondContact O-N 2.65Å; L384-I387 WeakPolarHBondContact O-CB 3.49Å; L384-I387 PolarHBondContact O-N 3.45Å; L384-I387 VanDerWaalsContact O-N 3.16Å; L384-R388 PolarHBondContact O-N 2.85Å; L384-F399 HydrophobicContact CD2-CB 4.29Å; L384-A400 HydrophobicContact CD1-CB 3.84Å; L384-A400 HydrophobicContact CD2-CB 4.03Å; L384-W504 HydrophobicContact CB-CZ2 4.19Å
385	D	83.3	Confident	84.4	Confident	64 Å²	64	49.3 Å²	49.3	34%	0.342	22%	0.221	S	C	.	.	H	α-helix	trans	-73.8	-28.6	-174	-38.9	-60.1	0	0	0	112.1	L276 P383 R389 W504	L276-D385 HydrophobicContact CD2-CB 4.05Å; P383-D385 VanDerWaalsContact C-N 3.26Å; P383-D385 PolarHBondContact O-N 3.14Å; P383-D385 VanDerWaalsContact O-N 3.17Å; D385-R389 WeakPolarHBondContact O-CB 3.26Å; D385-R389 PolarHBondContact O-N 2.59Å; D385-W504 PolarHBondContact OD1-NE1 2.99Å
386	L	84	Confident	84.7	Confident	9 Å²	9	44 Å²	44	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-74.5	-35.2	170.9	-174.1	67	0	0	0	111.5	L273 L276 L367 L368 P383 L384 Y390	L273-L386 HydrophobicContact CD2-CD2 4.43Å; L276-L386 HydrophobicContact CD1-CB 4.18Å; L276-L386 HydrophobicContact CD1-CD1 4Å; L367-L386 HydrophobicContact CB-CD2 4.47Å; L367-L386 HydrophobicContact CD2-CD1 4.16Å; L367-L386 HydrophobicContact CD2-CD2 3.68Å; L367-L386 HydrophobicContact CG-CD2 3.75Å; L368-L386 HydrophobicContact CD2-CB 4.38Å; L368-L386 HydrophobicContact CD2-CD2 3.76Å; L368-L386 HydrophobicContact CD2-CG 3.83Å; L368-L386 HydrophobicContact CG-CD2 3.84Å; L368-L386 HydrophobicContact CG-CG 3.99Å; P383-L386 HydrophobicContact CB-CB 4.24Å; P383-L386 PolarHBondContact O-N 3.1Å; P383-L386 VanDerWaalsContact O-N 3.13Å; L384-L386 VanDerWaalsContact C-N 3.34Å; L384-L386 PolarHBondContact O-N 2.65Å; L386-Y390 WeakPolarHBondContact O-CB 3.5Å; L386-Y390 PolarHBondContact O-N 3.06Å; L386-Y390 VanDerWaalsContact O-N 3.16Å
387	I	89	Confident	85.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-48.3	173.1	-62.5	162.8	0	0	0	109.3	L368 W372 P383 L384 R389 Y390 F391 I395 F399	L368-I387 HydrophobicContact CD2-CG1 3.9Å; W372-I387 HydrophobicContact CD2-CD1 3.9Å; W372-I387 HydrophobicContact CD2-CG1 4.29Å; W372-I387 VanDerWaalsContact CE2-CD1 3.48Å; W372-I387 HydrophobicContact CE3-CD1 4.34Å; W372-I387 HydrophobicContact CE3-CG1 4.25Å; W372-I387 HydrophobicContact CG-CD1 4.44Å; W372-I387 HydrophobicContact CH2-CD1 4.05Å; W372-I387 HydrophobicContact CH2-CG1 4.17Å; W372-I387 HydrophobicContact CZ2-CD1 3.57Å; W372-I387 HydrophobicContact CZ2-CG1 4.19Å; W372-I387 HydrophobicContact CZ3-CD1 4.41Å; W372-I387 HydrophobicContact CZ3-CG1 4.2Å; P383-I387 HydrophobicContact CG-CD1 4.37Å; P383-I387 HydrophobicContact CG-CG1 4.5Å; P383-I387 WeakPolarHBondContact O-CG1 3.42Å; P383-I387 PolarHBondContact O-N 3.06Å; P383-I387 VanDerWaalsContact O-N 3.11Å; L384-I387 WeakPolarHBondContact O-CB 3.49Å; L384-I387 PolarHBondContact O-N 3.45Å; L384-I387 VanDerWaalsContact O-N 3.16Å; I387-R389 PolarHBondContact O-N 2.78Å; I387-Y390 PolarHBondContact O-N 3.46Å; I387-F391 HydrophobicContact CG2-CD2 4.28Å; I387-F391 PolarHBondContact O-N 3.04Å; I387-I395 HydrophobicContact CG2-CG2 4.29Å; I387-F399 HydrophobicContact CD1-CB 4.45Å; I387-F399 HydrophobicContact CG2-CD2 4.03Å
388	R	87.1	Confident	85.6	Confident	41 Å²	41	40.2 Å²	40.2	16%	0.155	17%	0.168	C	C	.	.	H	α-helix	trans	-49.1	-56.5	171.4	173.2	174.6	87.8	127.8	-12.2	111.1	E278 L384 Y390 G392 E393 W504	E278-R388 IonicContact OE1-CZ 2.76Å; E278-R388 IonicContact OE1-NH2 3.81Å; E278-R388 PolarHBondContact OE1-NH2 2.87Å; L384-R388 PolarHBondContact O-N 2.85Å; R388-Y390 VanDerWaalsContact C-N 3.3Å; R388-Y390 PolarHBondContact O-N 2.98Å; R388-G392 CarbonylContact O-C 3.54Å; R388-G392 VanDerWaalsContact O-CA 3.22Å; R388-G392 WeakPolarHBondContact O-CA 3.22Å; R388-G392 PolarHBondContact O-N 2.84Å; R388-E393 HydrophobicContact CG-CG 4.23Å; R388-W504 VanDerWaalsContact NH1-CA 3.33Å; R388-W504 PolarHBondContact NH1-O 3.25Å
389	R	84.7	Confident	86.2	Confident	95 Å²	95	33 Å²	33	36%	0.358	14%	0.141	S	C	.	.	H	α-helix	trans	-60.7	-36.2	-175.7	-167.4	173	-175.2	175.9	0.4	113.1	D275 S306 D385 I387	D275-R389 PolarHBondContact O-NH1 3.43Å; S306-R389 WeakPolarHBondContact CB-O 3.44Å; S306-R389 PolarHBondContact OG-O 3.02Å; D385-R389 WeakPolarHBondContact O-CB 3.26Å; D385-R389 PolarHBondContact O-N 2.59Å; I387-R389 PolarHBondContact O-N 2.78Å
390	Y	88.6	Confident	86.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-91.1	-43.8	-174.5	-170.3	-96.8	0	0	0	114.6	H346 E347 Q364 R365 L368 L386 I387 R388 R814	H346-Y390 AromaticContact ND1-CE1 3.98Å; H346-Y390 AromaticContact ND1-CZ 3.88Å; H346-Y390 PolarHBondContact ND1-OH 3.29Å; E347-Y390 HydrophobicContact CB-CE2 4.34Å; E347-Y390 HydrophobicContact CG-CE2 4.3Å; Q364-Y390 HydrophobicContact CB-CD2 3.77Å; Q364-Y390 HydrophobicContact CB-CE2 4.09Å; R365-Y390 HydrophobicContact CB-CE2 4.43Å; L368-Y390 HydrophobicContact CD1-CD1 3.71Å; L368-Y390 HydrophobicContact CD1-CD2 4.34Å; L368-Y390 HydrophobicContact CD1-CE1 4.42Å; L368-Y390 HydrophobicContact CD1-CG 3.66Å; L386-Y390 WeakPolarHBondContact O-CB 3.5Å; L386-Y390 PolarHBondContact O-N 3.06Å; L386-Y390 VanDerWaalsContact O-N 3.16Å; I387-Y390 PolarHBondContact O-N 3.46Å; R388-Y390 VanDerWaalsContact C-N 3.3Å; R388-Y390 PolarHBondContact O-N 2.98Å; Y390-R814 PolarHBondContact O-NE 3.34Å; Y390-R814 PolarHBondContact O-NH2 3.39Å
391	F	89.6	Confident	87.4	Confident	1 Å²	1	24.9 Å²	24.9	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-105.4	-13.4	-174.1	-72.1	-66.7	0	0	0	114.3	L368 W372 I387 I395 F808 V809 P815 P817	L368-F391 HydrophobicContact CD1-CE2 4.16Å; W372-F391 HydrophobicContact CZ3-CE2 4.16Å; I387-F391 HydrophobicContact CG2-CD2 4.28Å; I387-F391 PolarHBondContact O-N 3.04Å; F391-I395 HydrophobicContact CB-CB 4.03Å; F391-I395 HydrophobicContact CB-CD1 4.05Å; F391-I395 HydrophobicContact CB-CG2 3.88Å; F391-I395 HydrophobicContact CG-CG2 4.37Å; F391-F808 HydrophobicContact CE1-CB 4.37Å; F391-F808 HydrophobicContact CE1-CD1 4.46Å; F391-F808 HydrophobicContact CE2-CB 4.48Å; F391-F808 HydrophobicContact CZ-CB 4.01Å; F391-V809 HydrophobicContact CE2-CG2 4.1Å; F391-V809 HydrophobicContact CZ-CG2 4.05Å; F391-P815 HydrophobicContact CD1-CG 3.88Å; F391-P815 HydrophobicContact CE1-CG 4.4Å; F391-P817 VanDerWaalsContact O-CA 3.31Å; F391-P817 WeakPolarHBondContact O-CA 3.25Å
392	G	88.7	Confident	88.1	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.			trans	99.9	161.9	-177.7	0	0	0	0	0	113.5	R388 K394 I395 G396	R388-G392 CarbonylContact O-C 3.54Å; R388-G392 VanDerWaalsContact O-CA 3.22Å; R388-G392 WeakPolarHBondContact O-CA 3.22Å; R388-G392 PolarHBondContact O-N 2.84Å; G392-K394 PolarHBondContact O-N 2.9Å; G392-I395 PolarHBondContact O-N 3.28Å; G392-G396 PolarHBondContact O-N 2.9Å; G392-G396 VanDerWaalsContact O-N 3.1Å
393	E	87.8	Confident	88.5	Confident	21 Å²	21	17.3 Å²	17.3	10%	0.098	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-41.2	-171.9	-55.9	92.5	137.4	0	0	111.8	R310 R388 I395 G396 L397 L506 A818 R819	R310-E393 IonicContact NH1-OE1 2.65Å; R310-E393 PolarHBondContact NH1-OE1 3.07Å; R310-E393 IonicContact NH1-OE2 2.68Å; R388-E393 HydrophobicContact CG-CG 4.23Å; E393-I395 PolarHBondContact O-N 3.39Å; E393-G396 PolarHBondContact O-N 3.07Å; E393-L397 PolarHBondContact O-N 3.07Å; E393-L506 HydrophobicContact CB-CD1 4.15Å; E393-L506 HydrophobicContact CB-CD2 4.24Å; E393-L506 HydrophobicContact CG-CD1 4.48Å; E393-L506 HydrophobicContact CG-CD2 4.16Å; E393-A818 PolarHBondContact N-O 3.08Å; E393-R819 HydrophobicContact CG-CG 4.23Å; E393-R819 WeakPolarHBondContact OE1-CG 3.44Å; E393-R819 IonicContact OE1-CZ 2.72Å; E393-R819 IonicContact OE1-NE 3.25Å; E393-R819 PolarHBondContact OE1-NE 3.43Å; E393-R819 IonicContact OE1-NH2 2.69Å
394	K	87.8	Confident	88.6	Confident	48 Å²	48	20.4 Å²	20.4	21%	0.209	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-41.2	179.8	-175.8	176.5	-175	170.7	0	114.3	G392 L397 Y398 E637 L764 A818 A820	G392-K394 PolarHBondContact O-N 2.9Å; K394-L397 PolarHBondContact O-N 3.12Å; K394-Y398 PolarHBondContact O-N 3Å; K394-E637 WeakPolarHBondContact CE-OE2 3.48Å; K394-E637 IonicContact NZ-OE1 2.8Å; K394-E637 PolarHBondContact NZ-OE1 2.95Å; K394-E637 IonicContact NZ-OE2 2.79Å; K394-E637 PolarHBondContact NZ-OE2 3.23Å; K394-L764 HydrophobicContact CG-CD1 3.99Å; K394-A818 HydrophobicContact CB-CB 4.47Å; K394-A818 WeakPolarHBondContact CB-O 3.48Å; K394-A818 HydrophobicContact CD-CB 4.09Å; K394-A818 PolarHBondContact N-O 2.89Å; K394-A820 HydrophobicContact CB-CB 3.88Å; K394-A820 HydrophobicContact CD-CB 4.4Å; K394-A820 HydrophobicContact CG-CB 3.87Å
395	I	90.4	Very high	88.9	Confident	10 Å²	10	19 Å²	19	5%	0.051	9%	0.091	C	C	.	.	H	α-helix	trans	-75.8	-36	176.2	-69.1	167.1	0	0	0	110.2	I387 F391 G392 E393 L397 Y398 F399 L764 F808 P815	I387-I395 HydrophobicContact CG2-CG2 4.29Å; F391-I395 HydrophobicContact CB-CB 4.03Å; F391-I395 HydrophobicContact CB-CD1 4.05Å; F391-I395 HydrophobicContact CB-CG2 3.88Å; F391-I395 HydrophobicContact CG-CG2 4.37Å; G392-I395 PolarHBondContact O-N 3.28Å; E393-I395 PolarHBondContact O-N 3.39Å; I395-L397 VanDerWaalsContact C-N 3.27Å; I395-L397 PolarHBondContact O-N 2.97Å; I395-Y398 PolarHBondContact O-N 3.16Å; I395-F399 HydrophobicContact CG2-CD2 3.9Å; I395-F399 HydrophobicContact CG2-CE2 3.72Å; I395-F399 VanDerWaalsContact O-CD2 3.28Å; I395-F399 WeakPolarHBondContact O-CD2 3.29Å; I395-F399 PolarHBondContact O-N 2.77Å; I395-L764 HydrophobicContact CG1-CD1 4Å; I395-F808 HydrophobicContact CD1-CD1 4.43Å; I395-F808 HydrophobicContact CD1-CE1 3.82Å; I395-F808 HydrophobicContact CG1-CE1 4.26Å; I395-F808 HydrophobicContact CG2-CE1 4.23Å; I395-P815 HydrophobicContact CD1-CB 4.02Å; I395-P815 HydrophobicContact CD1-CG 3.4Å; I395-P815 VanDerWaalsContact CD1-CG 3.4Å
396	G	90.6	Very high	89.3	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.6	-42.1	169.9	0	0	0	0	0	112.6	G392 E393 F399 A400	G392-G396 PolarHBondContact O-N 2.9Å; G392-G396 VanDerWaalsContact O-N 3.1Å; E393-G396 PolarHBondContact O-N 3.07Å; G396-F399 PolarHBondContact O-N 3.29Å; G396-A400 WeakPolarHBondContact O-CB 3.42Å; G396-A400 PolarHBondContact O-N 3.42Å
397	L	89.9	Confident	89.5	Confident	3 Å²	3	18 Å²	18	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-68.5	-38.9	-179.4	-166.4	65.6	0	0	0	113.1	E393 K394 I395 F399 A400 W401 W493 L500 W504 D822 I823	E393-L397 PolarHBondContact O-N 3.07Å; K394-L397 PolarHBondContact O-N 3.12Å; I395-L397 VanDerWaalsContact C-N 3.27Å; I395-L397 PolarHBondContact O-N 2.97Å; L397-F399 PolarHBondContact O-N 3Å; L397-A400 WeakPolarHBondContact O-CB 3.44Å; L397-A400 PolarHBondContact O-N 3.25Å; L397-W401 WeakPolarHBondContact O-CB 3.38Å; L397-W401 PolarHBondContact O-N 3.11Å; L397-W493 HydrophobicContact CD1-CH2 3.99Å; L397-W493 HydrophobicContact CD1-CZ2 4.05Å; L397-W493 HydrophobicContact CG-CZ2 4.48Å; L397-L500 HydrophobicContact CD1-CD1 4.3Å; L397-W504 HydrophobicContact CB-CZ3 4.03Å; L397-W504 HydrophobicContact CD1-CZ3 4.1Å; L397-D822 VanDerWaalsContact CD2-O 3.25Å; L397-D822 WeakPolarHBondContact CD2-O 3.45Å; L397-I823 HydrophobicContact CD2-CG2 3.91Å; L397-I823 HydrophobicContact CG-CG2 4.09Å
398	Y	91.8	Very high	89.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.3	-50.2	172.8	169	-103.6	0	0	0	111.3	K394 I395 A400 W401 L402 L764 E767 Y768 M771 D804	K394-Y398 PolarHBondContact O-N 3Å; I395-Y398 PolarHBondContact O-N 3.16Å; Y398-A400 VanDerWaalsContact C-N 3.33Å; Y398-A400 PolarHBondContact O-N 2.95Å; Y398-W401 PolarHBondContact O-N 3.16Å; Y398-L402 HydrophobicContact CE1-CD2 4.19Å; Y398-L402 WeakPolarHBondContact O-CB 3.46Å; Y398-L402 PolarHBondContact O-N 2.86Å; Y398-L764 HydrophobicContact CD1-CD2 4.16Å; Y398-L764 HydrophobicContact CD2-CD2 4.47Å; Y398-L764 HydrophobicContact CG-CD2 4.04Å; Y398-E767 HydrophobicContact CE2-CB 3.91Å; Y398-Y768 VanDerWaalsContact CA-OH 3.32Å; Y398-Y768 WeakPolarHBondContact CA-OH 3.28Å; Y398-Y768 AromaticContact CD2-CD1 3.96Å; Y398-Y768 HydrophobicContact CD2-CD1 3.96Å; Y398-Y768 HydrophobicContact CD2-CD2 4.14Å; Y398-Y768 AromaticContact CD2-CE1 3.73Å; Y398-Y768 HydrophobicContact CD2-CE1 3.73Å; Y398-Y768 AromaticContact CD2-CE2 3.92Å; Y398-Y768 HydrophobicContact CD2-CE2 3.92Å; Y398-Y768 HydrophobicContact CD2-CG 4.17Å; Y398-Y768 AromaticContact CD2-CZ 3.73Å; Y398-Y768 HydrophobicContact CE2-CD1 4.37Å; Y398-Y768 HydrophobicContact CE2-CG 4.49Å; Y398-M771 HydrophobicContact CE2-CG 4.39Å; Y398-D804 WeakPolarHBondContact CE1-OD2 3Å; Y398-D804 VanDerWaalsContact CZ-OD2 3.32Å; Y398-D804 PolarHBondContact OH-OD2 3.46Å
399	F	91.7	Very high	89.8	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.4	-30.4	178.3	-74.3	-62.6	0	0	0	113.6	W372 Q382 L384 I387 I395 G396 L397 G403 D804 F808	W372-F399 AromaticContact CH2-CD2 3.95Å; W372-F399 HydrophobicContact CH2-CD2 3.95Å; W372-F399 HydrophobicContact CH2-CE1 4.3Å; W372-F399 AromaticContact CH2-CE2 3.59Å; W372-F399 HydrophobicContact CH2-CE2 3.59Å; W372-F399 HydrophobicContact CH2-CG 4.45Å; W372-F399 AromaticContact CH2-CZ 3.8Å; W372-F399 HydrophobicContact CH2-CZ 3.8Å; W372-F399 AromaticContact CZ2-CD1 3.72Å; W372-F399 HydrophobicContact CZ2-CD1 3.72Å; W372-F399 AromaticContact CZ2-CD2 3.7Å; W372-F399 HydrophobicContact CZ2-CD2 3.7Å; W372-F399 AromaticContact CZ2-CE1 3.69Å; W372-F399 HydrophobicContact CZ2-CE1 3.69Å; W372-F399 AromaticContact CZ2-CE2 3.66Å; W372-F399 HydrophobicContact CZ2-CE2 3.66Å; W372-F399 AromaticContact CZ2-CG 3.74Å; W372-F399 HydrophobicContact CZ2-CG 3.74Å; W372-F399 AromaticContact CZ2-CZ 3.66Å; W372-F399 HydrophobicContact CZ2-CZ 3.66Å; Q382-F399 PolarHBondContact NE2-O 2.95Å; L384-F399 HydrophobicContact CD2-CB 4.29Å; I387-F399 HydrophobicContact CD1-CB 4.45Å; I387-F399 HydrophobicContact CG2-CD2 4.03Å; I395-F399 HydrophobicContact CG2-CD2 3.9Å; I395-F399 HydrophobicContact CG2-CE2 3.72Å; I395-F399 VanDerWaalsContact O-CD2 3.28Å; I395-F399 WeakPolarHBondContact O-CD2 3.29Å; I395-F399 PolarHBondContact O-N 2.77Å; G396-F399 PolarHBondContact O-N 3.29Å; L397-F399 PolarHBondContact O-N 3Å; F399-G403 PolarHBondContact O-N 2.93Å; F399-D804 HydrophobicContact CE1-CB 3.64Å; F399-D804 HydrophobicContact CZ-CB 3.79Å; F399-F808 HydrophobicContact CE2-CD2 4.1Å; F399-F808 HydrophobicContact CE2-CE2 4.17Å; F399-F808 AromaticContact CZ-CD2 3.8Å; F399-F808 HydrophobicContact CZ-CD2 3.8Å; F399-F808 AromaticContact CZ-CE2 3.93Å; F399-F808 HydrophobicContact CZ-CE2 3.93Å
400	A	91	Very high	90.1	Very high	8 Å²	8	17.5 Å²	17.5	7%	0.066	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-44.4	171.7	0	0	0	0	0	111.9	L384 G396 L397 Y398 W404 W493 L500 W504	L384-A400 HydrophobicContact CD1-CB 3.84Å; L384-A400 HydrophobicContact CD2-CB 4.03Å; G396-A400 WeakPolarHBondContact O-CB 3.42Å; G396-A400 PolarHBondContact O-N 3.42Å; L397-A400 WeakPolarHBondContact O-CB 3.44Å; L397-A400 PolarHBondContact O-N 3.25Å; Y398-A400 VanDerWaalsContact C-N 3.33Å; Y398-A400 PolarHBondContact O-N 2.95Å; A400-W404 VanDerWaalsContact O-CB 3.29Å; A400-W404 WeakPolarHBondContact O-CB 3.42Å; A400-W404 PolarHBondContact O-N 2.81Å; A400-W493 HydrophobicContact CB-CH2 4.32Å; A400-L500 HydrophobicContact CB-CD1 3.66Å; A400-W504 HydrophobicContact CB-CH2 4.31Å
401	W	91.7	Very high	90.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-49.8	175.9	177.2	82	0	0	0	111.6	L397 Y398 G403 W404 Y405 F489 W493 Y768 M771 V772 I823 L830	L397-W401 WeakPolarHBondContact O-CB 3.38Å; L397-W401 PolarHBondContact O-N 3.11Å; Y398-W401 PolarHBondContact O-N 3.16Å; W401-G403 VanDerWaalsContact C-N 3.32Å; W401-G403 PolarHBondContact O-N 2.89Å; W401-W404 WeakPolarHBondContact O-CB 3.39Å; W401-W404 PolarHBondContact O-N 3.13Å; W401-W404 VanDerWaalsContact O-N 3.1Å; W401-Y405 HydrophobicContact CH2-CD1 4.01Å; W401-Y405 HydrophobicContact CH2-CG 4.43Å; W401-Y405 HydrophobicContact CZ2-CD1 4.47Å; W401-Y405 HydrophobicContact CZ2-CG 4.46Å; W401-Y405 HydrophobicContact CZ3-CD1 4.38Å; W401-Y405 WeakPolarHBondContact O-CB 3.46Å; W401-Y405 PolarHBondContact O-N 2.87Å; W401-F489 HydrophobicContact CZ2-CZ 4.4Å; W401-F489 AromaticContact NE1-CZ 3.9Å; W401-W493 HydrophobicContact CB-CH2 3.69Å; W401-W493 HydrophobicContact CB-CZ2 3.72Å; W401-W493 HydrophobicContact CB-CZ3 4.22Å; W401-W493 AromaticContact CD1-CD2 3.77Å; W401-W493 AromaticContact CD1-CE2 3.52Å; W401-W493 AromaticContact CD1-CZ2 3.87Å; W401-W493 AromaticContact CD1-NE1 3.67Å; W401-W493 HydrophobicContact CG-CH2 4.49Å; W401-W493 HydrophobicContact CG-CZ2 4.21Å; W401-Y768 HydrophobicContact CD2-CE1 4.33Å; W401-Y768 HydrophobicContact CE3-CD1 4.25Å; W401-Y768 HydrophobicContact CE3-CE1 4.11Å; W401-Y768 HydrophobicContact CZ3-CD1 4.46Å; W401-M771 HydrophobicContact CH2-CB 3.57Å; W401-M771 HydrophobicContact CH2-CG 4.45Å; W401-M771 HydrophobicContact CZ3-CB 3.45Å; W401-M771 VanDerWaalsContact CZ3-CB 3.45Å; W401-M771 HydrophobicContact CZ3-CG 3.85Å; W401-V772 HydrophobicContact CH2-CG2 4.28Å; W401-V772 HydrophobicContact CZ2-CG2 4.44Å; W401-I823 HydrophobicContact CB-CG2 4.44Å; W401-L830 HydrophobicContact CZ2-CD1 3.91Å; W401-L830 HydrophobicContact CZ2-CD2 4.5Å
402	L	90.3	Very high	90.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-39.7	180	-177	61.1	0	0	0	111.5	Y398 T406 M771 I801	Y398-L402 HydrophobicContact CE1-CD2 4.19Å; Y398-L402 WeakPolarHBondContact O-CB 3.46Å; Y398-L402 PolarHBondContact O-N 2.86Å; L402-T406 WeakPolarHBondContact O-CB 3.49Å; L402-T406 PolarHBondContact O-N 3.29Å; L402-T406 PolarHBondContact O-OG1 2.88Å; L402-M771 HydrophobicContact CD1-CG 4.1Å; L402-M771 HydrophobicContact CD1-SD 3.72Å; L402-I801 HydrophobicContact CD2-CG1 3.55Å; L402-I801 HydrophobicContact CG-CD1 4.18Å; L402-I801 HydrophobicContact CG-CG1 3.63Å
403	G	89.3	Confident	90.8	Very high	27 Å²	27	20.3 Å²	20.3	28%	0.278	12%	0.119	S	C	.	.	H	α-helix	trans	-64.5	-40.1	172.4	0	0	0	0	0	113.5	F399 W401 G407	F399-G403 PolarHBondContact O-N 2.93Å; W401-G403 VanDerWaalsContact C-N 3.32Å; W401-G403 PolarHBondContact O-N 2.89Å; G403-G407 PolarHBondContact O-N 2.69Å
404	W	89.4	Confident	91.1	Very high	73 Å²	73	25 Å²	25	28%	0.277	14%	0.144	S	C	.	.	H	α-helix	trans	-67.1	-47.8	176.9	-175.3	-103.1	0	0	0	112.3	A400 W401 T406 G407 M408 F489 F492 W493 R496	A400-W404 VanDerWaalsContact O-CB 3.29Å; A400-W404 WeakPolarHBondContact O-CB 3.42Å; A400-W404 PolarHBondContact O-N 2.81Å; W401-W404 WeakPolarHBondContact O-CB 3.39Å; W401-W404 PolarHBondContact O-N 3.13Å; W401-W404 VanDerWaalsContact O-N 3.1Å; W404-T406 PolarHBondContact O-N 3.35Å; W404-G407 PolarHBondContact O-N 3.07Å; W404-M408 HydrophobicContact CH2-CE 3.88Å; W404-M408 HydrophobicContact CZ2-CE 3.34Å; W404-M408 HydrophobicContact CZ2-CG 4.37Å; W404-M408 PolarHBondContact O-N 3.3Å; W404-F489 AromaticContact CD1-CE2 3.82Å; W404-F492 HydrophobicContact CZ2-CB 3.72Å; W404-W493 HydrophobicContact CB-CE3 3.89Å; W404-W493 HydrophobicContact CB-CZ3 3.96Å; W404-W493 AromaticContact CD1-CE3 3.62Å; W404-W493 AromaticContact CG-CE3 3.74Å; W404-W493 HydrophobicContact CG-CE3 3.74Å; W404-W493 HydrophobicContact CG-CZ3 4.24Å; W404-R496 HydrophobicContact CD2-CB 4.48Å; W404-R496 HydrophobicContact CD2-CG 4.36Å; W404-R496 HydrophobicContact CE3-CB 4.49Å; W404-R496 HydrophobicContact CE3-CG 4.03Å; W404-R496 HydrophobicContact CZ3-CG 4.24Å
405	Y	91.1	Very high	91.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-55.9	-50.2	175.2	175.1	-135.1	0	0	0	111.1	W401 G407 M408 L409 W485 F489 Q775 F776 N797	W401-Y405 HydrophobicContact CH2-CD1 4.01Å; W401-Y405 HydrophobicContact CH2-CG 4.43Å; W401-Y405 HydrophobicContact CZ2-CD1 4.47Å; W401-Y405 HydrophobicContact CZ2-CG 4.46Å; W401-Y405 HydrophobicContact CZ3-CD1 4.38Å; W401-Y405 WeakPolarHBondContact O-CB 3.46Å; W401-Y405 PolarHBondContact O-N 2.87Å; Y405-G407 VanDerWaalsContact C-N 3.34Å; Y405-G407 PolarHBondContact O-N 2.91Å; Y405-M408 PolarHBondContact O-N 3.15Å; Y405-L409 HydrophobicContact CE2-CD1 4.25Å; Y405-L409 WeakPolarHBondContact O-CB 3.46Å; Y405-L409 PolarHBondContact O-N 2.86Å; Y405-W485 HydrophobicContact CE2-CH2 4.06Å; Y405-F489 HydrophobicContact CD2-CE1 4.32Å; Y405-F489 AromaticContact CD2-CE2 3.92Å; Y405-F489 HydrophobicContact CD2-CE2 3.92Å; Y405-F489 AromaticContact CD2-CZ 3.75Å; Y405-F489 HydrophobicContact CD2-CZ 3.75Å; Y405-F489 HydrophobicContact CG-CE2 4.35Å; Y405-F489 HydrophobicContact CG-CZ 4.19Å; Y405-Q775 HydrophobicContact CE1-CB 4.02Å; Y405-Q775 WeakPolarHBondContact OH-CB 3.32Å; Y405-F776 AromaticContact CE2-CD2 3.95Å; Y405-F776 HydrophobicContact CE2-CD2 3.95Å; Y405-F776 WeakPolarHBondContact OH-CA 3.4Å; Y405-F776 PolarHBondContact OH-N 2.9Å; Y405-F776 VanDerWaalsContact OH-N 3.17Å; Y405-N797 VanDerWaalsContact CD1-ND2 3.25Å; Y405-N797 WeakPolarHBondContact CD1-ND2 3.45Å; Y405-N797 WeakPolarHBondContact CE1-ND2 3.45Å
406	T	90.4	Very high	91.6	Very high	12 Å²	12	23.9 Å²	23.9	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-41.3	177	-53.1	0	0	0	0	112.4	L402 W404 L409 L794 N797 I798 I801	L402-T406 WeakPolarHBondContact O-CB 3.49Å; L402-T406 PolarHBondContact O-N 3.29Å; L402-T406 PolarHBondContact O-OG1 2.88Å; W404-T406 PolarHBondContact O-N 3.35Å; T406-L409 PolarHBondContact O-N 3.38Å; T406-L794 HydrophobicContact CG2-CD1 3.88Å; T406-L794 WeakPolarHBondContact O-CD1 3.45Å; T406-N797 HydrophobicContact CG2-CB 3.9Å; T406-N797 VanDerWaalsContact OG1-CB 3.29Å; T406-N797 WeakPolarHBondContact OG1-CB 3.28Å; T406-N797 PolarHBondContact OG1-ND2 2.95Å; T406-I798 HydrophobicContact CG2-CG1 4.11Å; T406-I801 HydrophobicContact CG2-CD1 4.2Å; T406-I801 WeakPolarHBondContact OG1-CD1 3.07Å
407	G	89.4	Confident	91.8	Very high	39 Å²	39	26 Å²	26	40%	0.402	16%	0.155	S	C	.	.	H	α-helix	trans	-64.5	-42.5	175.9	0	0	0	0	0	113.2	G403 W404 Y405 L409	G403-G407 PolarHBondContact O-N 2.69Å; W404-G407 PolarHBondContact O-N 3.07Å; Y405-G407 VanDerWaalsContact C-N 3.34Å; Y405-G407 PolarHBondContact O-N 2.91Å; G407-L409 VanDerWaalsContact C-N 3.33Å
408	M	89.9	Confident	91.9	Very high	42 Å²	42	32.8 Å²	32.8	21%	0.207	18%	0.184	C	C	.	.	H	α-helix	trans	-72.1	-23.9	176.6	-78.6	-64.1	-179.1	0	0	113.4	W404 Y405 I410 P411 W485 F489 F492	W404-M408 HydrophobicContact CH2-CE 3.88Å; W404-M408 HydrophobicContact CZ2-CE 3.34Å; W404-M408 HydrophobicContact CZ2-CG 4.37Å; W404-M408 PolarHBondContact O-N 3.3Å; Y405-M408 PolarHBondContact O-N 3.15Å; M408-I410 VanDerWaalsContact C-N 3.27Å; M408-I410 PolarHBondContact O-N 3.44Å; M408-P411 WeakPolarHBondContact O-CD 3.47Å; M408-P411 VanDerWaalsContact O-CG 3.25Å; M408-P411 WeakPolarHBondContact O-CG 3.3Å; M408-W485 HydrophobicContact CB-CZ2 4.37Å; M408-W485 PolarHBondContact O-NE1 3.49Å; M408-F489 HydrophobicContact CB-CD2 4.04Å; M408-F489 HydrophobicContact CG-CD2 4.24Å; M408-F492 HydrophobicContact CE-CB 4.43Å; M408-F492 HydrophobicContact CE-CD2 4Å
409	L	91.6	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.9	-18.3	178.7	-158.1	65.7	0	0	0	113.1	Y405 T406 G407 A412 A413 W485 P790 A793 L794	Y405-L409 HydrophobicContact CE2-CD1 4.25Å; Y405-L409 WeakPolarHBondContact O-CB 3.46Å; Y405-L409 PolarHBondContact O-N 2.86Å; T406-L409 PolarHBondContact O-N 3.38Å; G407-L409 VanDerWaalsContact C-N 3.33Å; L409-A412 HydrophobicContact CD1-CB 4.4Å; L409-A412 PolarHBondContact O-N 3.1Å; L409-A413 WeakPolarHBondContact O-CB 3.3Å; L409-A413 PolarHBondContact O-N 3.48Å; L409-W485 HydrophobicContact CB-CZ2 4.47Å; L409-W485 HydrophobicContact CD1-CH2 3.65Å; L409-W485 HydrophobicContact CD1-CZ2 3.71Å; L409-P790 HydrophobicContact CD1-CB 3.96Å; L409-P790 HydrophobicContact CG-CB 4.32Å; L409-A793 HydrophobicContact CD2-CB 3.81Å; L409-L794 HydrophobicContact CB-CD1 4.4Å; L409-L794 HydrophobicContact CD2-CB 4.01Å; L409-L794 HydrophobicContact CG-CB 4.34Å
410	I	91.9	Very high	92	Very high	83 Å²	83	34.9 Å²	34.9	43%	0.426	19%	0.194	S	C	.	.	H	α-helix	trans	-57.1	-56.6	177.4	-61.6	171.9	0	0	0	112.8	M408 A412 A413 L414 L794	M408-I410 VanDerWaalsContact C-N 3.27Å; M408-I410 PolarHBondContact O-N 3.44Å; I410-A412 VanDerWaalsContact C-N 3.26Å; I410-A412 PolarHBondContact O-N 2.9Å; I410-A413 PolarHBondContact O-N 3.43Å; I410-L414 HydrophobicContact CG2-CD1 4.14Å; I410-L414 WeakPolarHBondContact O-CG 3.5Å; I410-L414 PolarHBondContact O-N 3.22Å; I410-L794 HydrophobicContact CG1-CD1 3.91Å; I410-L794 HydrophobicContact CG1-CD2 4.19Å
411	P	93.3	Very high	92	Very high	57 Å²	57	38.1 Å²	38.1	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-32.6	176.4	22.7	-34.6	0	0	0	113.2	M408 L414 V415	M408-P411 WeakPolarHBondContact O-CD 3.47Å; M408-P411 VanDerWaalsContact O-CG 3.25Å; M408-P411 WeakPolarHBondContact O-CG 3.3Å; P411-L414 PolarHBondContact O-N 3.4Å; P411-V415 WeakPolarHBondContact O-CG2 3.5Å; P411-V415 PolarHBondContact O-N 3.42Å; P411-V415 VanDerWaalsContact O-N 3.1Å
412	A	93.5	Very high	92	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-44.4	175.3	0	0	0	0	0	112.4	L409 I410 L414 V415 G416 F481 M482 W485 P790	L409-A412 HydrophobicContact CD1-CB 4.4Å; L409-A412 PolarHBondContact O-N 3.1Å; I410-A412 VanDerWaalsContact C-N 3.26Å; I410-A412 PolarHBondContact O-N 2.9Å; A412-L414 PolarHBondContact O-N 3.32Å; A412-V415 PolarHBondContact O-N 3.4Å; A412-G416 PolarHBondContact O-N 3.24Å; A412-F481 HydrophobicContact CB-CE1 4.47Å; A412-M482 HydrophobicContact CB-CE 4.21Å; A412-M482 HydrophobicContact CB-SD 3.73Å; A412-W485 HydrophobicContact CB-CD2 4.17Å; A412-W485 HydrophobicContact CB-CG 4.35Å; A412-W485 HydrophobicContact CB-CZ2 4.38Å; A412-P790 HydrophobicContact CB-CB 4.01Å; A412-P790 HydrophobicContact CB-CG 4.42Å
413	A	94.6	Very high	91.9	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-40.2	174.4	0	0	0	0	0	112.2	L409 I410 G416 V417 P790 L791 L794	L409-A413 WeakPolarHBondContact O-CB 3.3Å; L409-A413 PolarHBondContact O-N 3.48Å; I410-A413 PolarHBondContact O-N 3.43Å; A413-G416 PolarHBondContact O-N 3.45Å; A413-V417 WeakPolarHBondContact O-CB 3.49Å; A413-V417 VanDerWaalsContact O-CG2 3.29Å; A413-V417 WeakPolarHBondContact O-CG2 3.3Å; A413-V417 PolarHBondContact O-N 3.28Å; A413-P790 HydrophobicContact CB-CB 4.5Å; A413-L791 HydrophobicContact CB-CB 4.24Å; A413-L791 HydrophobicContact CB-CD1 4.24Å; A413-L794 HydrophobicContact CB-CD2 3.82Å
414	L	94.6	Very high	91.9	Very high	118 Å²	118	45.2 Å²	45.2	62%	0.618	23%	0.234	S	C	*	.	H	α-helix	trans	-63	-45.8	177.7	-71.4	171.4	0	0	0	112.6	I410 P411 A412 F418	I410-L414 HydrophobicContact CG2-CD1 4.14Å; I410-L414 WeakPolarHBondContact O-CG 3.5Å; I410-L414 PolarHBondContact O-N 3.22Å; P411-L414 PolarHBondContact O-N 3.4Å; A412-L414 PolarHBondContact O-N 3.32Å; L414-F418 PolarHBondContact O-N 2.81Å
415	V	94.6	Very high	91.9	Very high	36 Å²	36	49.7 Å²	49.7	22%	0.218	26%	0.256	C	S	.	.	H	α-helix	trans	-69	-39.1	177.4	179.3	0	0	0	0	111.1	P411 A412 V417 F418 V419 F477 F478 F481	P411-V415 WeakPolarHBondContact O-CG2 3.5Å; P411-V415 PolarHBondContact O-N 3.42Å; P411-V415 VanDerWaalsContact O-N 3.1Å; A412-V415 PolarHBondContact O-N 3.4Å; V415-V417 PolarHBondContact O-N 2.9Å; V415-F418 PolarHBondContact O-N 3.3Å; V415-V419 WeakPolarHBondContact O-CG2 3.31Å; V415-V419 PolarHBondContact O-N 2.96Å; V415-F477 HydrophobicContact CG1-CE1 4.3Å; V415-F478 HydrophobicContact CB-CD2 4.35Å; V415-F478 HydrophobicContact CB-CE2 3.99Å; V415-F478 HydrophobicContact CG1-CD2 3.71Å; V415-F478 HydrophobicContact CG1-CE2 3.87Å; V415-F481 HydrophobicContact CB-CD1 4.38Å; V415-F481 HydrophobicContact CB-CE1 4.04Å; V415-F481 HydrophobicContact CB-CZ 4.24Å; V415-F481 HydrophobicContact CG1-CD1 4.14Å; V415-F481 HydrophobicContact CG1-CE1 4.3Å; V415-F481 HydrophobicContact CG1-CG 4.36Å; V415-F481 HydrophobicContact CG2-CE1 4.17Å; V415-F481 HydrophobicContact CG2-CE2 4.14Å; V415-F481 HydrophobicContact CG2-CZ 3.84Å
416	G	93.4	Very high	91.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-41.8	175.5	0	0	0	0	0	113	A412 A413 V419 F420 F478 P787	A412-G416 PolarHBondContact O-N 3.24Å; A413-G416 PolarHBondContact O-N 3.45Å; G416-V419 PolarHBondContact O-N 3.23Å; G416-F420 WeakPolarHBondContact O-CB 3.05Å; G416-F420 PolarHBondContact O-N 2.93Å; G416-F478 VanDerWaalsContact CA-CZ 3.4Å; G416-P787 WeakPolarHBondContact CA-O 3.41Å
417	V	93.8	Very high	91.2	Very high	45 Å²	45	52.1 Å²	52.1	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-42	173.1	168.4	0	0	0	0	111.5	A413 V415 V419 F420 L421 L788 L791	A413-V417 WeakPolarHBondContact O-CB 3.49Å; A413-V417 VanDerWaalsContact O-CG2 3.29Å; A413-V417 WeakPolarHBondContact O-CG2 3.3Å; A413-V417 PolarHBondContact O-N 3.28Å; V415-V417 PolarHBondContact O-N 2.9Å; V417-V419 PolarHBondContact O-N 2.85Å; V417-F420 PolarHBondContact O-N 3.05Å; V417-L421 HydrophobicContact CG1-CD1 3.89Å; V417-L421 HydrophobicContact CG1-CG 4.28Å; V417-L421 WeakPolarHBondContact O-CB 3.4Å; V417-L421 VanDerWaalsContact O-CG 3.31Å; V417-L421 WeakPolarHBondContact O-CG 3.34Å; V417-L421 PolarHBondContact O-N 3.17Å; V417-L788 HydrophobicContact CG2-CD2 4Å; V417-L791 HydrophobicContact CG2-CB 4.49Å; V417-L791 HydrophobicContact CG2-CD1 4.4Å; V417-L791 HydrophobicContact CG2-CD2 3.82Å; V417-L791 HydrophobicContact CG2-CG 4.46Å
418	F	93.4	Very high	90.8	Very high	144 Å²	144	54.6 Å²	54.6	63%	0.632	27%	0.272	S	S	*	.	H	α-helix	trans	-60.7	-44.6	175.9	178	-95.9	0	0	0	112.2	L414 V415 F420 L421 Y422	L414-F418 PolarHBondContact O-N 2.81Å; V415-F418 PolarHBondContact O-N 3.3Å; F418-F420 VanDerWaalsContact C-N 3.34Å; F418-F420 PolarHBondContact O-N 2.96Å; F418-L421 PolarHBondContact O-N 3.47Å; F418-Y422 WeakPolarHBondContact O-CB 3.44Å; F418-Y422 PolarHBondContact O-N 3.02Å
419	V	92.6	Very high	90.2	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-35.1	177.1	169.9	0	0	0	0	112	V415 G416 V417 G423 G474 T475 F478 P787	V415-V419 WeakPolarHBondContact O-CG2 3.31Å; V415-V419 PolarHBondContact O-N 2.96Å; G416-V419 PolarHBondContact O-N 3.23Å; V417-V419 PolarHBondContact O-N 2.85Å; V419-G423 PolarHBondContact O-N 3.44Å; V419-G474 VanDerWaalsContact CG1-C 3.48Å; V419-T475 HydrophobicContact CG1-CG2 3.59Å; V419-F478 HydrophobicContact CG1-CB 4.48Å; V419-F478 HydrophobicContact CG2-CB 4.31Å; V419-P787 HydrophobicContact CG1-CB 4.34Å
420	F	91.6	Very high	89.7	Confident	41 Å²	41	55.7 Å²	55.7	18%	0.18	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-43.7	173.7	-177.9	-102.8	0	0	0	112.5	G416 V417 F418 Y422 G423 L424 L469 F470 L788	G416-F420 WeakPolarHBondContact O-CB 3.05Å; G416-F420 PolarHBondContact O-N 2.93Å; V417-F420 PolarHBondContact O-N 3.05Å; F418-F420 VanDerWaalsContact C-N 3.34Å; F418-F420 PolarHBondContact O-N 2.96Å; F420-Y422 PolarHBondContact O-N 3.03Å; F420-G423 WeakPolarHBondContact O-CA 3.37Å; F420-G423 PolarHBondContact O-N 3.31Å; F420-G423 VanDerWaalsContact O-N 3.13Å; F420-L424 HydrophobicContact CD1-CD1 4.03Å; F420-L424 HydrophobicContact CD1-CG 4.45Å; F420-L424 HydrophobicContact CE1-CD1 3.61Å; F420-L424 HydrophobicContact CE1-CG 4.1Å; F420-L424 HydrophobicContact CZ-CD1 4.26Å; F420-L424 HydrophobicContact CZ-CD2 4.4Å; F420-L424 HydrophobicContact CZ-CG 4.34Å; F420-L424 PolarHBondContact O-N 3.31Å; F420-L469 HydrophobicContact CD2-CD1 3.92Å; F420-L469 HydrophobicContact CD2-CG 4.36Å; F420-L469 HydrophobicContact CE2-CD1 3.75Å; F420-L469 HydrophobicContact CE2-CD2 3.77Å; F420-L469 HydrophobicContact CE2-CG 3.9Å; F420-L469 HydrophobicContact CZ-CD1 4.31Å; F420-L469 HydrophobicContact CZ-CD2 4.14Å; F420-F470 HydrophobicContact CD2-CD1 4.49Å; F420-F470 AromaticContact CD2-CE1 3.96Å; F420-F470 HydrophobicContact CD2-CE1 3.96Å; F420-F470 AromaticContact CE2-CE1 3.66Å; F420-F470 HydrophobicContact CE2-CE1 3.66Å; F420-F470 HydrophobicContact CE2-CZ 4.07Å; F420-L788 HydrophobicContact CB-CD2 3.81Å; F420-L788 HydrophobicContact CB-CG 4.09Å; F420-L788 HydrophobicContact CD1-CD1 3.9Å; F420-L788 HydrophobicContact CD1-CD2 4.06Å; F420-L788 HydrophobicContact CD1-CG 4.27Å; F420-L788 HydrophobicContact CD2-CD1 3.72Å; F420-L788 HydrophobicContact CD2-CD2 4.44Å; F420-L788 HydrophobicContact CD2-CG 3.89Å; F420-L788 HydrophobicContact CE1-CD1 3.9Å; F420-L788 HydrophobicContact CE2-CD1 3.72Å; F420-L788 HydrophobicContact CE2-CG 4.39Å; F420-L788 HydrophobicContact CG-CD1 3.81Å; F420-L788 HydrophobicContact CG-CD2 3.85Å; F420-L788 HydrophobicContact CG-CG 3.82Å; F420-L788 HydrophobicContact CZ-CD1 3.81Å
421	L	91.6	Very high	89.3	Confident	75 Å²	75	54 Å²	54	39%	0.393	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-42	174.3	-71.9	170.9	0	0	0	111.6	V417 F418 G423 L424 F425	V417-L421 HydrophobicContact CG1-CD1 3.89Å; V417-L421 HydrophobicContact CG1-CG 4.28Å; V417-L421 WeakPolarHBondContact O-CB 3.4Å; V417-L421 VanDerWaalsContact O-CG 3.31Å; V417-L421 WeakPolarHBondContact O-CG 3.34Å; V417-L421 PolarHBondContact O-N 3.17Å; F418-L421 PolarHBondContact O-N 3.47Å; L421-G423 VanDerWaalsContact C-N 3.31Å; L421-G423 PolarHBondContact O-N 2.97Å; L421-L424 HydrophobicContact CD2-CD1 4.37Å; L421-L424 PolarHBondContact O-N 2.97Å; L421-F425 HydrophobicContact CB-CE2 4.19Å; L421-F425 WeakPolarHBondContact O-CD2 3.22Å; L421-F425 WeakPolarHBondContact O-CG 3.25Å; L421-F425 PolarHBondContact O-N 3.17Å
422	Y	91.1	Very high	88.8	Confident	108 Å²	108	51.7 Å²	51.7	42%	0.424	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-41.7	171.8	175	-103.4	0	0	0	112.1	F418 F420 T426	F418-Y422 WeakPolarHBondContact O-CB 3.44Å; F418-Y422 PolarHBondContact O-N 3.02Å; F420-Y422 PolarHBondContact O-N 3.03Å; Y422-T426 HydrophobicContact CD2-CG2 4.16Å; Y422-T426 HydrophobicContact CE2-CG2 3.75Å; Y422-T426 WeakPolarHBondContact O-CB 3.36Å; Y422-T426 WeakPolarHBondContact O-CG2 3.43Å; Y422-T426 PolarHBondContact O-N 2.9Å; Y422-T426 VanDerWaalsContact O-N 3.07Å; Y422-T426 PolarHBondContact O-OG1 2.93Å
423	G	88.8	Confident	88.4	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-42.8	172.6	0	0	0	0	0	113.2	V419 F420 L421 T426 M427 L469	V419-G423 PolarHBondContact O-N 3.44Å; F420-G423 WeakPolarHBondContact O-CA 3.37Å; F420-G423 PolarHBondContact O-N 3.31Å; F420-G423 VanDerWaalsContact O-N 3.13Å; L421-G423 VanDerWaalsContact C-N 3.31Å; L421-G423 PolarHBondContact O-N 2.97Å; G423-T426 PolarHBondContact O-N 2.76Å; G423-M427 PolarHBondContact O-N 3.39Å; G423-M427 VanDerWaalsContact O-N 3.13Å; G423-L469 VanDerWaalsContact C-CD1 3.49Å
424	L	89.3	Confident	88.1	Confident	69 Å²	69	55.7 Å²	55.7	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-50.5	176.4	-73.1	173.6	0	0	0	111.7	F420 L421 T426 M427 L469	F420-L424 HydrophobicContact CD1-CD1 4.03Å; F420-L424 HydrophobicContact CD1-CG 4.45Å; F420-L424 HydrophobicContact CE1-CD1 3.61Å; F420-L424 HydrophobicContact CE1-CG 4.1Å; F420-L424 HydrophobicContact CZ-CD1 4.26Å; F420-L424 HydrophobicContact CZ-CD2 4.4Å; F420-L424 HydrophobicContact CZ-CG 4.34Å; F420-L424 PolarHBondContact O-N 3.31Å; L421-L424 HydrophobicContact CD2-CD1 4.37Å; L421-L424 PolarHBondContact O-N 2.97Å; L424-T426 PolarHBondContact O-N 2.9Å; L424-M427 WeakPolarHBondContact O-CB 3.46Å; L424-M427 PolarHBondContact O-N 3.01Å; L424-L469 HydrophobicContact CB-CD1 4.38Å; L424-L469 HydrophobicContact CD2-CD1 3.73Å; L424-L469 HydrophobicContact CD2-CD2 3.98Å; L424-L469 HydrophobicContact CG-CD1 3.72Å
425	F	88.7	Confident	87.7	Confident	167 Å²	167	51.5 Å²	51.5	73%	0.732	25%	0.253	S	S	*	.	H	α-helix	trans	-67	-22.1	-179.1	-64.1	-53.9	0	0	0	113.7	L421	L421-F425 HydrophobicContact CB-CE2 4.19Å; L421-F425 WeakPolarHBondContact O-CD2 3.22Å; L421-F425 WeakPolarHBondContact O-CG 3.25Å; L421-F425 PolarHBondContact O-N 3.17Å
426	T	84.4	Confident	87.4	Confident	23 Å²	23	50.2 Å²	50.2	14%	0.141	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5.5	178.5	60	0	0	0	0	114.5	Y422 G423 L424 S429	Y422-T426 HydrophobicContact CD2-CG2 4.16Å; Y422-T426 HydrophobicContact CE2-CG2 3.75Å; Y422-T426 WeakPolarHBondContact O-CB 3.36Å; Y422-T426 WeakPolarHBondContact O-CG2 3.43Å; Y422-T426 PolarHBondContact O-N 2.9Å; Y422-T426 VanDerWaalsContact O-N 3.07Å; Y422-T426 PolarHBondContact O-OG1 2.93Å; G423-T426 PolarHBondContact O-N 2.76Å; L424-T426 PolarHBondContact O-N 2.9Å; T426-S429 PolarHBondContact O-OG 3.28Å
427	M	83.1	Confident	87.1	Confident	39 Å²	39	51.8 Å²	51.8	19%	0.192	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-56.7	-178.9	-172.9	176.9	67.5	0	0	111.6	G423 L424 S430 K465	G423-M427 PolarHBondContact O-N 3.39Å; G423-M427 VanDerWaalsContact O-N 3.13Å; L424-M427 WeakPolarHBondContact O-CB 3.46Å; L424-M427 PolarHBondContact O-N 3.01Å; M427-S430 PolarHBondContact O-OG 3.24Å; M427-K465 HydrophobicContact CG-CB 3.82Å; M427-K465 HydrophobicContact CG-CG 4.29Å; M427-K465 HydrophobicContact SD-CB 3.83Å
428	D	80.4	Confident	86.9	Confident	92 Å²	92	56.2 Å²	56.2	49%	0.492	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.7	-175.3	-69.7	-56.9	0	0	0	114.4	S430 K434 K465	D428-S430 VanDerWaalsContact C-N 3.34Å; D428-K434 WeakPolarHBondContact O-CE 3.28Å; D428-K465 WeakPolarHBondContact OD1-CE 3.43Å; D428-K465 IonicContact OD1-NZ 3.84Å; D428-K465 PolarHBondContact OD1-NZ 2.77Å
429	S	78.5	Confident	86.4	Confident	57 Å²	57	50.1 Å²	50.1	40%	0.399	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-24.6	174.9	60.7	0	0	0	0	112.8	T426 K434	T426-S429 PolarHBondContact O-OG 3.28Å; S429-K434 WeakPolarHBondContact O-CE 3.47Å; S429-K434 PolarHBondContact O-NZ 2.92Å
430	S	79.5	Confident	86	Confident	7 Å²	7	55 Å²	55	5%	0.049	28%	0.276	C	S	.	.			trans	-67.9	131.3	-166.1	70.2	0	0	0	0	115.2	M427 D428 V432 S433 K434	M427-S430 PolarHBondContact O-OG 3.24Å; D428-S430 VanDerWaalsContact C-N 3.34Å; S430-V432 PolarHBondContact O-N 2.94Å; S430-S433 WeakPolarHBondContact OG-CB 3.36Å; S430-S433 PolarHBondContact OG-OG 3.14Å; S430-K434 WeakPolarHBondContact O-CG 3.47Å; S430-K434 PolarHBondContact O-N 3.19Å
431	Q	83.8	Confident	85.7	Confident	47 Å²	47	59.2 Å²	59.2	22%	0.22	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-40.8	-177.7	-178.2	57.4	26.7	0	0	113.3	K434 E435 K877	Q431-K434 PolarHBondContact O-N 3.14Å; Q431-E435 PolarHBondContact NE2-OE1 3.49Å; Q431-E435 PolarHBondContact O-N 2.93Å; Q431-K877 HydrophobicContact CG-CB 4.4Å
432	V	82.9	Confident	85.4	Confident	10 Å²	10	56.6 Å²	56.6	6%	0.061	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-39.8	-176.6	179.7	0	0	0	0	112.1	S430 E435 I436 L876 Y879 M880	S430-V432 PolarHBondContact O-N 2.94Å; V432-E435 PolarHBondContact O-N 3.03Å; V432-I436 HydrophobicContact CG1-CD1 4.33Å; V432-I436 WeakPolarHBondContact O-CG1 3.14Å; V432-I436 PolarHBondContact O-N 3.32Å; V432-I436 VanDerWaalsContact O-N 3.14Å; V432-L876 HydrophobicContact CG2-CB 4.17Å; V432-L876 HydrophobicContact CG2-CD1 4.12Å; V432-Y879 HydrophobicContact CG1-CD1 4Å; V432-Y879 HydrophobicContact CG1-CE1 4.38Å; V432-Y879 HydrophobicContact CG2-CD1 4.06Å; V432-Y879 HydrophobicContact CG2-CG 4.47Å; V432-M880 HydrophobicContact CG1-CG 4.26Å; V432-M880 HydrophobicContact CG1-SD 3.78Å
433	S	86.1	Confident	85.3	Confident	5 Å²	5	53.3 Å²	53.3	4%	0.035	28%	0.282	C	S	.	.	H	α-helix	trans	-71.8	-33.4	177.7	-56.7	0	0	0	0	111.6	S430 I436 C437 A464	S430-S433 WeakPolarHBondContact OG-CB 3.36Å; S430-S433 PolarHBondContact OG-OG 3.14Å; S433-I436 PolarHBondContact O-N 2.94Å; S433-C437 WeakPolarHBondContact O-CB 3.36Å; S433-C437 PolarHBondContact O-N 2.88Å; S433-C437 PolarHBondContact O-SG 3.49Å; S433-A464 PolarHBondContact OG-O 3.02Å; S433-A464 VanDerWaalsContact OG-O 3.06Å
434	K	87.6	Confident	85.2	Confident	83 Å²	83	53.6 Å²	53.6	36%	0.361	28%	0.283	S	S	.	.	H	α-helix	trans	-60.3	-50.6	169.5	-70.8	166.6	179.1	166.9	0	111.6	D428 S429 S430 Q431 I436 C437 E438	D428-K434 WeakPolarHBondContact O-CE 3.28Å; S429-K434 WeakPolarHBondContact O-CE 3.47Å; S429-K434 PolarHBondContact O-NZ 2.92Å; S430-K434 WeakPolarHBondContact O-CG 3.47Å; S430-K434 PolarHBondContact O-N 3.19Å; Q431-K434 PolarHBondContact O-N 3.14Å; K434-I436 PolarHBondContact O-N 3.11Å; K434-C437 PolarHBondContact O-N 2.97Å; K434-E438 WeakPolarHBondContact O-CB 3.12Å; K434-E438 WeakPolarHBondContact O-CG 3.36Å; K434-E438 PolarHBondContact O-N 3.05Å
435	E	87.1	Confident	85	Confident	29 Å²	29	50.8 Å²	50.8	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-56.6	-35.3	177.3	-79.2	177.7	-158.7	0	0	112.9	Q431 V432 A439 K877 G878 Y879 M880	Q431-E435 PolarHBondContact NE2-OE1 3.49Å; Q431-E435 PolarHBondContact O-N 2.93Å; V432-E435 PolarHBondContact O-N 3.03Å; E435-A439 WeakPolarHBondContact O-CB 3.46Å; E435-A439 PolarHBondContact O-N 2.89Å; E435-K877 WeakPolarHBondContact OE1-CA 3.25Å; E435-G878 PolarHBondContact OE1-N 3.24Å; E435-G878 PolarHBondContact OE2-N 3.32Å; E435-Y879 PolarHBondContact OE2-N 2.76Å; E435-M880 HydrophobicContact CB-CB 4.3Å; E435-M880 HydrophobicContact CB-CG 3.89Å; E435-M880 PolarHBondContact OE2-N 3.32Å
436	I	86.9	Confident	84.5	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.046	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-43.6	174.9	-69	167.6	0	0	0	111.5	V432 S433 K434 E438 L457 A464 M880	V432-I436 HydrophobicContact CG1-CD1 4.33Å; V432-I436 WeakPolarHBondContact O-CG1 3.14Å; V432-I436 PolarHBondContact O-N 3.32Å; V432-I436 VanDerWaalsContact O-N 3.14Å; S433-I436 PolarHBondContact O-N 2.94Å; K434-I436 PolarHBondContact O-N 3.11Å; I436-E438 VanDerWaalsContact C-N 3.35Å; I436-E438 PolarHBondContact O-N 2.98Å; I436-L457 HydrophobicContact CG1-CD2 4.43Å; I436-L457 HydrophobicContact CG1-CG 4.49Å; I436-L457 HydrophobicContact CG2-CD1 4.28Å; I436-L457 HydrophobicContact CG2-CG 4.12Å; I436-A464 HydrophobicContact CB-CB 3.96Å; I436-A464 HydrophobicContact CD1-CB 3.52Å; I436-A464 HydrophobicContact CG1-CB 4.32Å; I436-A464 HydrophobicContact CG2-CB 3.64Å; I436-M880 HydrophobicContact CD1-CE 3.99Å; I436-M880 HydrophobicContact CD1-CG 4.47Å; I436-M880 HydrophobicContact CD1-SD 3.82Å; I436-M880 HydrophobicContact CG1-CE 3.86Å; I436-M880 HydrophobicContact CG1-CG 3.9Å; I436-M880 HydrophobicContact CG1-SD 3.85Å
437	C	88	Confident	84	Confident	33 Å²	33	44.6 Å²	44.6	22%	0.223	24%	0.242	C	C	.	.	H	α-helix	trans	-71.7	-24.1	-178.7	-63.4	0	0	0	0	114.1	S433 K434 C461	S433-C437 WeakPolarHBondContact O-CB 3.36Å; S433-C437 PolarHBondContact O-N 2.88Å; S433-C437 PolarHBondContact O-SG 3.49Å; K434-C437 PolarHBondContact O-N 2.97Å; C437-C461 HydrophobicContact CB-CB 3.86Å; C437-C461 WeakPolarHBondContact CB-SG 3.45Å; C437-C461 VanDerWaalsContact SG-CA 3.59Å; C437-C461 WeakPolarHBondContact SG-CB 2.96Å; C437-C461 CovalentContact SG-SG 2.04Å; C437-C461 PolarHBondContact SG-SG 2.89Å
438	E	89	Confident	83.4	Confident	139 Å²	139	44.3 Å²	44.3	65%	0.65	24%	0.243	S	C	*	.	H	α-helix	trans	-90.1	-13.2	178.7	-69.5	168.4	-160.4	0	0	113.2	K434 I436 N440	K434-E438 WeakPolarHBondContact O-CB 3.12Å; K434-E438 WeakPolarHBondContact O-CG 3.36Å; K434-E438 PolarHBondContact O-N 3.05Å; I436-E438 VanDerWaalsContact C-N 3.35Å; I436-E438 PolarHBondContact O-N 2.98Å; E438-N440 PolarHBondContact O-N 3.17Å
439	A	83.1	Confident	82.7	Confident	15 Å²	15	43.8 Å²	43.8	12%	0.124	24%	0.238	C	C	.	.			trans	-82.8	44.5	-167.4	0	0	0	0	0	115.8	E435 T441 T442 L457	E435-A439 WeakPolarHBondContact O-CB 3.46Å; E435-A439 PolarHBondContact O-N 2.89Å; A439-T441 PolarHBondContact O-N 3.47Å; A439-T442 HydrophobicContact CB-CG2 4.06Å; A439-T442 WeakPolarHBondContact CB-OG1 3.35Å; A439-T442 PolarHBondContact O-N 2.83Å; A439-T442 PolarHBondContact O-OG1 3.06Å; A439-L457 HydrophobicContact CB-CB 4.21Å; A439-L457 HydrophobicContact CB-CD2 3.9Å; A439-L457 HydrophobicContact CB-CG 4.35Å
440	N	84.8	Confident	81.9	Confident	108 Å²	108	49.1 Å²	49.1	58%	0.578	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-25.3	-179.4	-62.6	-4.8	0	0	0	114.3	E438 S458	E438-N440 PolarHBondContact O-N 3.17Å; N440-S458 VanDerWaalsContact OD1-CB 3.24Å; N440-S458 WeakPolarHBondContact OD1-CB 3.43Å; N440-S458 PolarHBondContact OD1-OG 3.16Å
441	T	84.6	Confident	81.2	Confident	129 Å²	129	53.2 Å²	53.2	79%	0.791	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.5	-179.5	55.7	0	0	0	0	114	A439	A439-T441 PolarHBondContact O-N 3.47Å
442	T	86.3	Confident	80.5	Confident	20 Å²	20	52.6 Å²	52.6	12%	0.123	29%	0.286	C	S	.	.			trans	-101.3	109.9	-175.8	71.4	0	0	0	0	111.6	A439 L457	A439-T442 HydrophobicContact CB-CG2 4.06Å; A439-T442 WeakPolarHBondContact CB-OG1 3.35Å; A439-T442 PolarHBondContact O-N 2.83Å; A439-T442 PolarHBondContact O-OG1 3.06Å; T442-L457 PolarHBondContact O-N 3.14Å; T442-L457 WeakPolarHBondContact OG1-CB 3.42Å
443	I	88.6	Confident	80.2	Confident	39 Å²	39	60.7 Å²	60.7	20%	0.2	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.4	-176	-61.7	158.5	0	0	0	109.7	P454 F898 R902	I443-P454 HydrophobicContact CG2-CB 3.62Å; I443-F898 HydrophobicContact CD1-CB 4.18Å; I443-F898 HydrophobicContact CD1-CD1 3.39Å; I443-F898 HydrophobicContact CD1-CD2 3.97Å; I443-F898 HydrophobicContact CD1-CE1 3.65Å; I443-F898 HydrophobicContact CD1-CE2 4.2Å; I443-F898 HydrophobicContact CD1-CG 3.56Å; I443-F898 HydrophobicContact CD1-CZ 4.05Å; I443-R902 PolarHBondContact O-N 3.49Å
444	M	86	Confident	79.9	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	150.6	178.1	-63.6	-58.7	129.3	0	0	111.6	W455 L457 L884 R902	M444-W455 HydrophobicContact CB-CD2 3.78Å; M444-W455 HydrophobicContact CB-CE3 4.06Å; M444-W455 HydrophobicContact CB-CG 4.44Å; M444-W455 HydrophobicContact CB-CH2 3.64Å; M444-W455 HydrophobicContact CB-CZ2 3.35Å; M444-W455 HydrophobicContact CB-CZ3 3.99Å; M444-W455 HydrophobicContact CG-CD2 4.38Å; M444-W455 HydrophobicContact CG-CE3 4.15Å; M444-W455 HydrophobicContact CG-CH2 3.55Å; M444-W455 HydrophobicContact CG-CZ2 3.84Å; M444-W455 HydrophobicContact CG-CZ3 3.72Å; M444-W455 PolarHBondContact N-O 3.31Å; M444-L457 HydrophobicContact CE-CB 3.95Å; M444-L457 HydrophobicContact CE-CD1 4.31Å; M444-L457 HydrophobicContact CE-CD2 4.17Å; M444-L457 HydrophobicContact CE-CG 4.36Å; M444-L884 HydrophobicContact CE-CD1 3.8Å; M444-L884 HydrophobicContact SD-CD1 4.42Å; M444-L884 HydrophobicContact SD-CD2 4.34Å; M444-R902 WeakPolarHBondContact CA-O 3.28Å; M444-R902 HydrophobicContact CE-CB 3.69Å; M444-R902 HydrophobicContact SD-CB 3.8Å
445	C	84.9	Confident	79.7	Confident	10 Å²	10	61.5 Å²	61.5	7%	0.068	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-67.2	150.9	178.8	-57.1	0	0	0	0	112	W455 C901 R902	C445-W455 PolarHBondContact O-NE1 3.23Å; C445-C901 VanDerWaalsContact CA-SG 3.51Å; C445-C901 HydrophobicContact CB-CB 3.95Å; C445-C901 WeakPolarHBondContact CB-SG 3.31Å; C445-C901 VanDerWaalsContact SG-C 3.56Å; C445-C901 WeakPolarHBondContact SG-CB 3.49Å; C445-C901 CovalentContact SG-SG 2.04Å; C445-C901 PolarHBondContact SG-SG 2.94Å; C445-R902 PolarHBondContact N-O 2.79Å; C445-R902 PolarHBondContact SG-O 2.67Å
446	P	79.8	Confident	79.6	Confident	9 Å²	9	62 Å²	62	6%	0.058	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-70.2	136.6	-177.2	26.8	-34.3	0	0	0	113.2	C448 C452 R681 L892	P446-C448 VanDerWaalsContact C-N 3.32Å; P446-C448 PolarHBondContact O-N 3.15Å; P446-C452 HydrophobicContact CB-CB 3.85Å; P446-R681 PolarHBondContact O-NH1 3.08Å; P446-R681 PolarHBondContact O-NH2 3.19Å; P446-L892 HydrophobicContact CG-CD2 4.4Å
447	M	72.2	Confident	79.6	Confident	51 Å²	51	61.7 Å²	61.7	25%	0.251	33%	0.329	S	S	.	.	S	Bend	trans	-75.8	-15.4	-176.5	-57.8	-62.7	-76.9	0	0	113.8	W455 R681 E684	M447-W455 HydrophobicContact SD-CZ2 4.22Å; M447-R681 VanDerWaalsContact C-NH1 3.25Å; M447-R681 VanDerWaalsContact O-CZ 3.28Å; M447-R681 PolarHBondContact O-NH1 3.31Å; M447-R681 VanDerWaalsContact O-NH1 3.16Å; M447-E684 HydrophobicContact CE-CB 3.76Å
448	C	72.3	Confident	79.5	Confident	32 Å²	32	61.3 Å²	61.3	22%	0.216	33%	0.327	C	S	.	.	S	Bend	trans	-132.4	161	174.7	73.2	0	0	0	0	111.5	P446 E450 C452	P446-C448 VanDerWaalsContact C-N 3.32Å; P446-C448 PolarHBondContact O-N 3.15Å; C448-E450 PolarHBondContact SG-O 3.43Å; C448-C452 HydrophobicContact CB-CB 4.14Å; C448-C452 WeakPolarHBondContact CB-SG 3.3Å; C448-C452 PolarHBondContact N-SG 3.32Å; C448-C452 WeakPolarHBondContact SG-CB 3.17Å; C448-C452 CovalentContact SG-SG 2.03Å; C448-C452 PolarHBondContact SG-SG 3.22Å
449	E	64.6	Low	79.3	Confident	81 Å²	81	60 Å²	60	38%	0.379	32%	0.324	S	S	.	.	S	Bend	trans	-83.5	-35.4	-171.5	-63.9	-175.6	148.3	0	0	113.2	K675	E449-K675 WeakPolarHBondContact OE1-CE 3.46Å; E449-K675 IonicContact OE1-NZ 2.6Å; E449-K675 PolarHBondContact OE1-NZ 3.11Å; E449-K675 IonicContact OE2-NZ 3.94Å; E449-K675 PolarHBondContact OE2-NZ 3.4Å
450	E	62.5	Low	79.3	Confident	170 Å²	170	59.4 Å²	59.4	79%	0.794	32%	0.32	S	S	*	.	S	Bend	trans	-114.5	143.1	177.5	-64.9	-177.6	-175.3	0	0	110.4	C448 C452	C448-E450 PolarHBondContact SG-O 3.43Å; E450-C452 PolarHBondContact O-N 2.9Å
451	S	63.6	Low	79.4	Confident	92 Å²	92	55.7 Å²	55.7	64%	0.643	30%	0.302	S	S	*	.	S	Bend	trans	63.8	-17.4	178.2	74.9	0	0	0	0	119.1	K453	S451-K453 PolarHBondContact O-N 2.99Å
452	C	70.4	Confident	79.4	Confident	35 Å²	35	54.6 Å²	54.6	24%	0.236	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.6	126	174	-80.8	0	0	0	0	112.9	P446 C448 E450	P446-C452 HydrophobicContact CB-CB 3.85Å; C448-C452 HydrophobicContact CB-CB 4.14Å; C448-C452 WeakPolarHBondContact CB-SG 3.3Å; C448-C452 PolarHBondContact N-SG 3.32Å; C448-C452 WeakPolarHBondContact SG-CB 3.17Å; C448-C452 CovalentContact SG-SG 2.03Å; C448-C452 PolarHBondContact SG-SG 3.22Å; E450-C452 PolarHBondContact O-N 2.9Å
453	K	75.8	Confident	79.2	Confident	179 Å²	179	56.8 Å²	56.8	78%	0.778	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-81.1	153	166.4	-64.8	-174.8	179.3	-176.8	0	111.2	S451	S451-K453 PolarHBondContact O-N 2.99Å
454	P	79.3	Confident	78.9	Confident	43 Å²	43	55.1 Å²	55.1	28%	0.279	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-58.8	153.4	162	-20	33	0	0	0	111.3	I443 M889	I443-P454 HydrophobicContact CG2-CB 3.62Å; P454-M889 HydrophobicContact CG-CE 4.47Å
455	W	83.1	Confident	79	Confident	62 Å²	62	58 Å²	58	24%	0.235	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	162.2	-173.7	54.2	-79.6	0	0	0	110.8	M444 C445 M447 P687	M444-W455 HydrophobicContact CB-CD2 3.78Å; M444-W455 HydrophobicContact CB-CE3 4.06Å; M444-W455 HydrophobicContact CB-CG 4.44Å; M444-W455 HydrophobicContact CB-CH2 3.64Å; M444-W455 HydrophobicContact CB-CZ2 3.35Å; M444-W455 HydrophobicContact CB-CZ3 3.99Å; M444-W455 HydrophobicContact CG-CD2 4.38Å; M444-W455 HydrophobicContact CG-CE3 4.15Å; M444-W455 HydrophobicContact CG-CH2 3.55Å; M444-W455 HydrophobicContact CG-CZ2 3.84Å; M444-W455 HydrophobicContact CG-CZ3 3.72Å; M444-W455 PolarHBondContact N-O 3.31Å; C445-W455 PolarHBondContact O-NE1 3.23Å; M447-W455 HydrophobicContact SD-CZ2 4.22Å; W455-P687 HydrophobicContact CH2-CB 4.18Å; W455-P687 HydrophobicContact CH2-CG 3.6Å; W455-P687 HydrophobicContact CZ3-CG 3.97Å
456	T	86.8	Confident	79	Confident	40 Å²	40	60 Å²	60	25%	0.245	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	147.4	-173.4	74.8	0	0	0	0	111.7	S458 D459	T456-S458 WeakPolarHBondContact CB-OG 3.28Å; T456-S458 PolarHBondContact O-N 2.66Å; T456-S458 PolarHBondContact OG1-OG 3.31Å; T456-D459 WeakPolarHBondContact CA-OD2 3.47Å; T456-D459 WeakPolarHBondContact CB-OD2 3.16Å; T456-D459 PolarHBondContact N-OD2 2.79Å; T456-D459 WeakPolarHBondContact O-CB 3.39Å; T456-D459 PolarHBondContact O-N 2.75Å; T456-D459 PolarHBondContact OG1-N 3.18Å; T456-D459 PolarHBondContact OG1-OD1 3.21Å; T456-D459 PolarHBondContact OG1-OD2 3.46Å
457	L	86.1	Confident	79.2	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.01	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-62.7	-30.5	176.9	-171.6	56.4	0	0	0	112.7	I436 A439 T442 M444 D459 S460 P687 M880 L884	I436-L457 HydrophobicContact CG1-CD2 4.43Å; I436-L457 HydrophobicContact CG1-CG 4.49Å; I436-L457 HydrophobicContact CG2-CD1 4.28Å; I436-L457 HydrophobicContact CG2-CG 4.12Å; A439-L457 HydrophobicContact CB-CB 4.21Å; A439-L457 HydrophobicContact CB-CD2 3.9Å; A439-L457 HydrophobicContact CB-CG 4.35Å; T442-L457 PolarHBondContact O-N 3.14Å; T442-L457 WeakPolarHBondContact OG1-CB 3.42Å; M444-L457 HydrophobicContact CE-CB 3.95Å; M444-L457 HydrophobicContact CE-CD1 4.31Å; M444-L457 HydrophobicContact CE-CD2 4.17Å; M444-L457 HydrophobicContact CE-CG 4.36Å; L457-D459 VanDerWaalsContact C-N 3.26Å; L457-D459 PolarHBondContact O-N 3.25Å; L457-S460 WeakPolarHBondContact O-CB 3.26Å; L457-S460 PolarHBondContact O-N 3.08Å; L457-P687 HydrophobicContact CD1-CB 4.22Å; L457-P687 HydrophobicContact CD1-CG 4.47Å; L457-M880 HydrophobicContact CD2-CE 4.22Å; L457-L884 HydrophobicContact CD2-CD1 4.02Å
458	S	86.7	Confident	79.8	Confident	25 Å²	25	59.5 Å²	59.5	18%	0.175	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59.1	-31.5	175.4	33.1	0	0	0	0	113.6	N440 T456 S460 C461	N440-S458 VanDerWaalsContact OD1-CB 3.24Å; N440-S458 WeakPolarHBondContact OD1-CB 3.43Å; N440-S458 PolarHBondContact OD1-OG 3.16Å; T456-S458 WeakPolarHBondContact CB-OG 3.28Å; T456-S458 PolarHBondContact O-N 2.66Å; T456-S458 PolarHBondContact OG1-OG 3.31Å; S458-S460 PolarHBondContact O-N 3.04Å; S458-S460 VanDerWaalsContact O-N 3.13Å; S458-C461 WeakPolarHBondContact O-CB 3.47Å; S458-C461 PolarHBondContact O-N 3.16Å
459	D	84.1	Confident	80.5	Confident	111 Å²	111	58.7 Å²	58.7	59%	0.594	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-59.4	-25.9	175.4	-60.2	-51.2	0	0	0	111.8	T456 L457	T456-D459 WeakPolarHBondContact CA-OD2 3.47Å; T456-D459 WeakPolarHBondContact CB-OD2 3.16Å; T456-D459 PolarHBondContact N-OD2 2.79Å; T456-D459 WeakPolarHBondContact O-CB 3.39Å; T456-D459 PolarHBondContact O-N 2.75Å; T456-D459 PolarHBondContact OG1-N 3.18Å; T456-D459 PolarHBondContact OG1-OD1 3.21Å; T456-D459 PolarHBondContact OG1-OD2 3.46Å; L457-D459 VanDerWaalsContact C-N 3.26Å; L457-D459 PolarHBondContact O-N 3.25Å
460	S	82.6	Confident	81.4	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.028	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-85.2	1.4	177.6	-65.6	0	0	0	0	114.9	L457 S458 V462 F463 A464 H686 P687	L457-S460 WeakPolarHBondContact O-CB 3.26Å; L457-S460 PolarHBondContact O-N 3.08Å; S458-S460 PolarHBondContact O-N 3.04Å; S458-S460 VanDerWaalsContact O-N 3.13Å; S460-V462 VanDerWaalsContact C-N 3.34Å; S460-V462 PolarHBondContact O-N 2.95Å; S460-F463 PolarHBondContact O-N 3.02Å; S460-F463 VanDerWaalsContact O-N 3.15Å; S460-A464 PolarHBondContact O-N 2.97Å; S460-H686 PolarHBondContact OG-CE1 3.02Å; S460-H686 VanDerWaalsContact OG-CE1 3.26Å; S460-P687 VanDerWaalsContact OG-CG 3.27Å; S460-P687 WeakPolarHBondContact OG-CG 3.33Å
461	C	87.1	Confident	82.5	Confident	30 Å²	30	48.1 Å²	48.1	20%	0.203	26%	0.257	C	S	.	.	H	α-helix	trans	-52.2	-44.9	-174.5	173.1	0	0	0	0	113.9	C437 S458 A464 K465	C437-C461 HydrophobicContact CB-CB 3.86Å; C437-C461 WeakPolarHBondContact CB-SG 3.45Å; C437-C461 VanDerWaalsContact SG-CA 3.59Å; C437-C461 WeakPolarHBondContact SG-CB 2.96Å; C437-C461 CovalentContact SG-SG 2.04Å; C437-C461 PolarHBondContact SG-SG 2.89Å; S458-C461 WeakPolarHBondContact O-CB 3.47Å; S458-C461 PolarHBondContact O-N 3.16Å; C461-A464 PolarHBondContact O-N 3.49Å; C461-K465 PolarHBondContact O-N 3.3Å
462	V	85.3	Confident	83.6	Confident	106 Å²	106	43.8 Å²	43.8	64%	0.642	23%	0.227	S	C	*	.	H	α-helix	trans	-63.6	-47.7	179.4	179.5	0	0	0	0	111	S460 A464 K465 V466	S460-V462 VanDerWaalsContact C-N 3.34Å; S460-V462 PolarHBondContact O-N 2.95Å; V462-A464 VanDerWaalsContact C-N 3.32Å; V462-A464 PolarHBondContact O-N 3.28Å; V462-K465 PolarHBondContact O-N 3.39Å; V462-V466 WeakPolarHBondContact O-CG2 3.39Å; V462-V466 PolarHBondContact O-N 3.41Å
463	F	80.9	Confident	84.3	Confident	65 Å²	65	44 Å²	44	29%	0.285	24%	0.235	S	C	.	.	H	α-helix	trans	-62.4	-38.3	176	-69.4	-79.9	0	0	0	111.8	S460 K465 V466 T467 F596 H686 I692	S460-F463 PolarHBondContact O-N 3.02Å; S460-F463 VanDerWaalsContact O-N 3.15Å; F463-K465 VanDerWaalsContact C-N 3.34Å; F463-K465 PolarHBondContact O-N 2.95Å; F463-V466 CarbonylContact O-C 3.35Å; F463-V466 PolarHBondContact O-N 2.76Å; F463-T467 PolarHBondContact O-N 3.23Å; F463-T467 PolarHBondContact O-OG1 2.92Å; F463-F596 HydrophobicContact CZ-CZ 4.12Å; F463-H686 VanDerWaalsContact CB-CE1 3.41Å; F463-H686 WeakPolarHBondContact CB-CE1 3.08Å; F463-H686 AromaticContact CD2-CE1 3.55Å; F463-H686 AromaticContact CD2-NE2 3.72Å; F463-H686 AromaticContact CG-CE1 3.55Å; F463-H686 AromaticContact CG-ND1 4Å; F463-I692 HydrophobicContact CB-CD1 4.14Å; F463-I692 HydrophobicContact CD1-CD1 4.05Å; F463-I692 VanDerWaalsContact O-CD1 3.28Å; F463-I692 WeakPolarHBondContact O-CD1 3.17Å
464	A	83.4	Confident	84.9	Confident	4 Å²	4	36.1 Å²	36.1	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-33.5	176.9	0	0	0	0	0	113.7	S433 I436 S460 C461 V462 R468	S433-A464 PolarHBondContact OG-O 3.02Å; S433-A464 VanDerWaalsContact OG-O 3.06Å; I436-A464 HydrophobicContact CB-CB 3.96Å; I436-A464 HydrophobicContact CD1-CB 3.52Å; I436-A464 HydrophobicContact CG1-CB 4.32Å; I436-A464 HydrophobicContact CG2-CB 3.64Å; S460-A464 PolarHBondContact O-N 2.97Å; C461-A464 PolarHBondContact O-N 3.49Å; V462-A464 VanDerWaalsContact C-N 3.32Å; V462-A464 PolarHBondContact O-N 3.28Å; A464-R468 WeakPolarHBondContact O-CB 3.43Å; A464-R468 PolarHBondContact O-N 3.39Å
465	K	86.8	Confident	85.4	Confident	66 Å²	66	34.4 Å²	34.4	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-67.8	-45.7	170	-71.7	-169.2	-177.9	-166.3	0	111.3	M427 D428 C461 V462 F463 T467 R468 L469	M427-K465 HydrophobicContact CG-CB 3.82Å; M427-K465 HydrophobicContact CG-CG 4.29Å; M427-K465 HydrophobicContact SD-CB 3.83Å; D428-K465 WeakPolarHBondContact OD1-CE 3.43Å; D428-K465 IonicContact OD1-NZ 3.84Å; D428-K465 PolarHBondContact OD1-NZ 2.77Å; C461-K465 PolarHBondContact O-N 3.3Å; V462-K465 PolarHBondContact O-N 3.39Å; F463-K465 VanDerWaalsContact C-N 3.34Å; F463-K465 PolarHBondContact O-N 2.95Å; K465-T467 PolarHBondContact O-N 3.41Å; K465-R468 PolarHBondContact O-N 3.18Å; K465-R468 VanDerWaalsContact O-N 3.15Å; K465-L469 PolarHBondContact O-N 2.81Å; K465-L469 VanDerWaalsContact O-N 3.16Å
466	V	85.1	Confident	85.7	Confident	52 Å²	52	32.2 Å²	32.2	32%	0.315	19%	0.187	S	C	.	.	H	α-helix	trans	-65.8	-35.5	178.3	175.3	0	0	0	0	112.7	V462 F463 R468 L469 F470 I692	V462-V466 WeakPolarHBondContact O-CG2 3.39Å; V462-V466 PolarHBondContact O-N 3.41Å; F463-V466 CarbonylContact O-C 3.35Å; F463-V466 PolarHBondContact O-N 2.76Å; V466-R468 VanDerWaalsContact C-N 3.34Å; V466-L469 WeakPolarHBondContact O-CB 3.15Å; V466-F470 HydrophobicContact CG1-CD2 4.37Å; V466-F470 HydrophobicContact CG1-CE2 4.02Å; V466-F470 VanDerWaalsContact O-CD2 3.3Å; V466-F470 WeakPolarHBondContact O-CD2 3.22Å; V466-I692 HydrophobicContact CB-CD1 4.13Å; V466-I692 HydrophobicContact CG1-CD1 4.02Å; V466-I692 HydrophobicContact CG1-CG1 4.42Å
467	T	85.1	Confident	86	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-58.5	-51.4	170.4	-68.5	0	0	0	0	108.7	F463 K465 L469 F470 D471 S688 I692	F463-T467 PolarHBondContact O-N 3.23Å; F463-T467 PolarHBondContact O-OG1 2.92Å; K465-T467 PolarHBondContact O-N 3.41Å; T467-L469 PolarHBondContact O-N 3.48Å; T467-F470 PolarHBondContact O-N 3.1Å; T467-F470 VanDerWaalsContact O-N 3.09Å; T467-D471 HydrophobicContact CG2-CB 3.83Å; T467-D471 WeakPolarHBondContact O-CB 3.32Å; T467-D471 PolarHBondContact O-N 3.38Å; T467-S688 VanDerWaalsContact CG2-O 3.24Å; T467-S688 WeakPolarHBondContact CG2-O 3.45Å; T467-S688 WeakPolarHBondContact OG1-CB 3.46Å; T467-S688 PolarHBondContact OG1-O 3.21Å; T467-S688 PolarHBondContact OG1-OG 3.04Å; T467-I692 VanDerWaalsContact OG1-CD1 3.27Å; T467-I692 WeakPolarHBondContact OG1-CD1 3.45Å
468	R	85.1	Confident	86.3	Confident	45 Å²	45	36.2 Å²	36.2	17%	0.17	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-26.4	-171.3	-173	61.8	-171.8	71.2	8.4	113.9	A464 K465 V466	A464-R468 WeakPolarHBondContact O-CB 3.43Å; A464-R468 PolarHBondContact O-N 3.39Å; K465-R468 PolarHBondContact O-N 3.18Å; K465-R468 VanDerWaalsContact O-N 3.15Å; V466-R468 VanDerWaalsContact C-N 3.34Å
469	L	86.1	Confident	86.6	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-58.5	-48.2	170.6	168.6	57.3	0	0	0	111.9	F420 G423 L424 K465 V466 T467 N472	F420-L469 HydrophobicContact CD2-CD1 3.92Å; F420-L469 HydrophobicContact CD2-CG 4.36Å; F420-L469 HydrophobicContact CE2-CD1 3.75Å; F420-L469 HydrophobicContact CE2-CD2 3.77Å; F420-L469 HydrophobicContact CE2-CG 3.9Å; F420-L469 HydrophobicContact CZ-CD1 4.31Å; F420-L469 HydrophobicContact CZ-CD2 4.14Å; G423-L469 VanDerWaalsContact C-CD1 3.49Å; L424-L469 HydrophobicContact CB-CD1 4.38Å; L424-L469 HydrophobicContact CD2-CD1 3.73Å; L424-L469 HydrophobicContact CD2-CD2 3.98Å; L424-L469 HydrophobicContact CG-CD1 3.72Å; K465-L469 PolarHBondContact O-N 2.81Å; K465-L469 VanDerWaalsContact O-N 3.16Å; V466-L469 WeakPolarHBondContact O-CB 3.15Å; T467-L469 PolarHBondContact O-N 3.48Å; L469-N472 PolarHBondContact O-ND2 3.02Å
470	F	84.6	Confident	86.9	Confident	22 Å²	22	31.9 Å²	31.9	10%	0.096	18%	0.176	C	C	.	.	H	α-helix	trans	-89.5	-36.6	-178.2	-60.4	-63.9	0	0	0	113.4	F420 V466 T467 N472 T475 L691 F786 P787	F420-F470 HydrophobicContact CD2-CD1 4.49Å; F420-F470 AromaticContact CD2-CE1 3.96Å; F420-F470 HydrophobicContact CD2-CE1 3.96Å; F420-F470 AromaticContact CE2-CE1 3.66Å; F420-F470 HydrophobicContact CE2-CE1 3.66Å; F420-F470 HydrophobicContact CE2-CZ 4.07Å; V466-F470 HydrophobicContact CG1-CD2 4.37Å; V466-F470 HydrophobicContact CG1-CE2 4.02Å; V466-F470 VanDerWaalsContact O-CD2 3.3Å; V466-F470 WeakPolarHBondContact O-CD2 3.22Å; T467-F470 PolarHBondContact O-N 3.1Å; T467-F470 VanDerWaalsContact O-N 3.09Å; F470-N472 PolarHBondContact O-N 2.66Å; F470-N472 VanDerWaalsContact O-N 3.16Å; F470-T475 WeakPolarHBondContact O-CG2 3.22Å; F470-T475 PolarHBondContact O-OG1 3.4Å; F470-L691 HydrophobicContact CB-CD2 3.9Å; F470-F786 HydrophobicContact CD1-CD2 4.45Å; F470-F786 AromaticContact CE1-CD2 3.88Å; F470-F786 HydrophobicContact CE1-CD2 3.88Å; F470-F786 HydrophobicContact CE1-CE2 4.1Å; F470-F786 HydrophobicContact CZ-CD2 4.38Å; F470-F786 HydrophobicContact CZ-CE2 4.4Å; F470-P787 HydrophobicContact CD1-CG 4.42Å
471	D	85.8	Confident	87.5	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.032	19%	0.185	C	C	.	.	S	Bend	trans	-88.6	74.3	-179.7	-172.9	36.5	0	0	0	110.2	T467 S849 R854	T467-D471 HydrophobicContact CG2-CB 3.83Å; T467-D471 WeakPolarHBondContact O-CB 3.32Å; T467-D471 PolarHBondContact O-N 3.38Å; D471-S849 WeakPolarHBondContact OD1-CB 3.49Å; D471-S849 PolarHBondContact OD1-OG 2.89Å; D471-R854 IonicContact OD2-CZ 3.67Å; D471-R854 IonicContact OD2-NH1 3.46Å; D471-R854 PolarHBondContact OD2-NH1 3.38Å; D471-R854 IonicContact OD2-NH2 3.91Å; D471-R854 PolarHBondContact OD2-NH2 2.96Å
472	N	85.8	Confident	87.8	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.011	18%	0.176	C	C	.	.	S	Bend	trans	-132.1	156.2	-174.4	81.8	62	0	0	0	112.1	L469 F470 G474 T475	L469-N472 PolarHBondContact O-ND2 3.02Å; F470-N472 PolarHBondContact O-N 2.66Å; F470-N472 VanDerWaalsContact O-N 3.16Å; N472-G474 PolarHBondContact O-N 2.68Å; N472-G474 VanDerWaalsContact O-N 3.08Å; N472-G474 WeakPolarHBondContact OD1-CA 3.24Å; N472-G474 PolarHBondContact OD1-N 3.19Å; N472-T475 PolarHBondContact N-OG1 3.44Å; N472-T475 PolarHBondContact O-N 2.79Å; N472-T475 PolarHBondContact O-OG1 2.83Å; N472-T475 PolarHBondContact OD1-N 3.04Å
473	G	84.7	Confident	88	Confident	39 Å²	39	28.7 Å²	28.7	40%	0.402	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-23.1	-178.3	0	0	0	0	0	114.3	F477	G473-F477 PolarHBondContact O-N 3.45Å
474	G	88.9	Confident	88.6	Confident	14 Å²	14	28.3 Å²	28.3	14%	0.144	15%	0.153	C	C	.	.	H	α-helix	trans	-70.9	-27.7	172.8	0	0	0	0	0	114	V419 N472 F477 F478	V419-G474 VanDerWaalsContact CG1-C 3.48Å; N472-G474 PolarHBondContact O-N 2.68Å; N472-G474 VanDerWaalsContact O-N 3.08Å; N472-G474 WeakPolarHBondContact OD1-CA 3.24Å; N472-G474 PolarHBondContact OD1-N 3.19Å; G474-F477 PolarHBondContact O-N 2.78Å; G474-F478 WeakPolarHBondContact O-CB 3.25Å; G474-F478 PolarHBondContact O-N 2.71Å
475	T	89.5	Confident	89.1	Confident	6 Å²	6	28.8 Å²	28.8	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-76.4	-26.2	174.6	50.9	0	0	0	0	112.7	V419 F470 N472 F478 A479 P787	V419-T475 HydrophobicContact CG1-CG2 3.59Å; F470-T475 WeakPolarHBondContact O-CG2 3.22Å; F470-T475 PolarHBondContact O-OG1 3.4Å; N472-T475 PolarHBondContact N-OG1 3.44Å; N472-T475 PolarHBondContact O-N 2.79Å; N472-T475 PolarHBondContact O-OG1 2.83Å; N472-T475 PolarHBondContact OD1-N 3.04Å; T475-F478 PolarHBondContact O-N 3.27Å; T475-A479 PolarHBondContact O-N 2.91Å; T475-P787 HydrophobicContact CG2-CB 4.04Å; T475-P787 HydrophobicContact CG2-CG 3.81Å
476	V	90.1	Very high	89.3	Confident	17 Å²	17	25.9 Å²	25.9	10%	0.103	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-44.7	167.7	-177.8	0	0	0	0	110.9	F478 A479 I480 I845 Y851 F932	V476-F478 VanDerWaalsContact C-N 3.33Å; V476-F478 PolarHBondContact O-N 3.37Å; V476-A479 PolarHBondContact O-N 2.85Å; V476-I480 PolarHBondContact O-N 3.04Å; V476-I845 HydrophobicContact CG1-CD1 4.38Å; V476-I845 HydrophobicContact CG2-CD1 4.39Å; V476-I845 HydrophobicContact CG2-CG2 3.91Å; V476-Y851 HydrophobicContact CG2-CD1 4.18Å; V476-Y851 HydrophobicContact CG2-CD2 4.25Å; V476-Y851 HydrophobicContact CG2-CE1 4.31Å; V476-Y851 HydrophobicContact CG2-CE2 4.38Å; V476-Y851 HydrophobicContact CG2-CG 4.16Å; V476-F932 HydrophobicContact CG1-CZ 4.32Å
477	F	91.9	Very high	89.6	Confident	126 Å²	126	24.2 Å²	24.2	55%	0.553	13%	0.132	S	C	*	.	H	α-helix	trans	-60	-42.7	170.2	167.4	-98.4	0	0	0	111.7	V415 G473 G474 A479 I480 F481	V415-F477 HydrophobicContact CG1-CE1 4.3Å; G473-F477 PolarHBondContact O-N 3.45Å; G474-F477 PolarHBondContact O-N 2.78Å; F477-A479 PolarHBondContact O-N 3.37Å; F477-I480 PolarHBondContact O-N 2.87Å; F477-F481 PolarHBondContact O-N 3.26Å
478	F	93.1	Very high	89.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-38	-179.8	-166.7	-127.6	0	0	0	112.7	V415 G416 V419 G474 T475 V476 I480 F481 M482 V783 P787 P790	V415-F478 HydrophobicContact CB-CD2 4.35Å; V415-F478 HydrophobicContact CB-CE2 3.99Å; V415-F478 HydrophobicContact CG1-CD2 3.71Å; V415-F478 HydrophobicContact CG1-CE2 3.87Å; G416-F478 VanDerWaalsContact CA-CZ 3.4Å; V419-F478 HydrophobicContact CG1-CB 4.48Å; V419-F478 HydrophobicContact CG2-CB 4.31Å; G474-F478 WeakPolarHBondContact O-CB 3.25Å; G474-F478 PolarHBondContact O-N 2.71Å; T475-F478 PolarHBondContact O-N 3.27Å; V476-F478 VanDerWaalsContact C-N 3.33Å; V476-F478 PolarHBondContact O-N 3.37Å; F478-I480 VanDerWaalsContact C-N 3.35Å; F478-I480 PolarHBondContact O-N 2.9Å; F478-F481 AromaticContact CD2-CD1 3.87Å; F478-F481 HydrophobicContact CD2-CD1 3.87Å; F478-F481 AromaticContact CE2-CD1 3.82Å; F478-F481 HydrophobicContact CE2-CD1 3.82Å; F478-F481 HydrophobicContact CE2-CE1 4.14Å; F478-F481 PolarHBondContact O-N 2.95Å; F478-M482 HydrophobicContact CD1-CG 4.09Å; F478-M482 HydrophobicContact CD2-CG 4.06Å; F478-M482 HydrophobicContact CE1-CG 3.82Å; F478-M482 HydrophobicContact CE1-SD 4.31Å; F478-M482 HydrophobicContact CE2-CG 3.79Å; F478-M482 HydrophobicContact CE2-SD 3.86Å; F478-M482 HydrophobicContact CG-CG 4.22Å; F478-M482 HydrophobicContact CZ-CG 3.67Å; F478-M482 HydrophobicContact CZ-SD 3.66Å; F478-M482 VanDerWaalsContact O-CB 3.32Å; F478-M482 WeakPolarHBondContact O-CB 3.22Å; F478-M482 VanDerWaalsContact O-CG 3.26Å; F478-M482 WeakPolarHBondContact O-CG 3.33Å; F478-M482 PolarHBondContact O-N 3.31Å; F478-V783 HydrophobicContact CD1-CG2 3.96Å; F478-V783 HydrophobicContact CE1-CG2 3.54Å; F478-V783 HydrophobicContact CZ-CG2 4.47Å; F478-P787 HydrophobicContact CD1-CB 3.72Å; F478-P787 HydrophobicContact CE1-CB 3.86Å; F478-P787 WeakPolarHBondContact CE1-O 3.32Å; F478-P790 HydrophobicContact CE1-CG 4.46Å; F478-P790 HydrophobicContact CZ-CG 4.12Å
479	A	92.2	Very high	90.1	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-41.1	175.2	0	0	0	0	0	112.4	T475 V476 F477 M482 A483 A784 N841 I845 F936	T475-A479 PolarHBondContact O-N 2.91Å; V476-A479 PolarHBondContact O-N 2.85Å; F477-A479 PolarHBondContact O-N 3.37Å; A479-M482 PolarHBondContact O-N 3.42Å; A479-A483 PolarHBondContact O-N 2.92Å; A479-A784 HydrophobicContact CB-CB 4.22Å; A479-N841 HydrophobicContact CB-CB 4.29Å; A479-I845 HydrophobicContact CB-CD1 3.83Å; A479-F936 HydrophobicContact CB-CZ 4.17Å
480	I	92	Very high	90.3	Very high	43 Å²	43	23.4 Å²	23.4	22%	0.221	13%	0.132	C	C	.	.	H	α-helix	trans	-66.2	-46.9	174.7	-61	172.4	0	0	0	110.3	V476 F477 F478 M482 A483 I484 F936 V940	V476-I480 PolarHBondContact O-N 3.04Å; F477-I480 PolarHBondContact O-N 2.87Å; F478-I480 VanDerWaalsContact C-N 3.35Å; F478-I480 PolarHBondContact O-N 2.9Å; I480-M482 VanDerWaalsContact C-N 3.32Å; I480-M482 PolarHBondContact O-N 3.5Å; I480-A483 PolarHBondContact O-N 3.01Å; I480-I484 HydrophobicContact CG2-CD1 4.01Å; I480-I484 WeakPolarHBondContact O-CG1 3.04Å; I480-I484 PolarHBondContact O-N 2.91Å; I480-F936 HydrophobicContact CD1-CD2 4.48Å; I480-F936 HydrophobicContact CD1-CE2 4.08Å; I480-F936 HydrophobicContact CG1-CD2 4.3Å; I480-F936 HydrophobicContact CG1-CE2 3.52Å; I480-F936 HydrophobicContact CG1-CZ 3.97Å; I480-V940 HydrophobicContact CG1-CG2 4.39Å; I480-V940 HydrophobicContact CG2-CG2 4.5Å
481	F	93.5	Very high	90.6	Very high	52 Å²	52	22.9 Å²	22.9	23%	0.228	13%	0.13	C	C	.	.	H	α-helix	trans	-57.9	-42.6	175.9	168.8	-89.4	0	0	0	112	A412 V415 F477 F478 I484 W485	A412-F481 HydrophobicContact CB-CE1 4.47Å; V415-F481 HydrophobicContact CB-CD1 4.38Å; V415-F481 HydrophobicContact CB-CE1 4.04Å; V415-F481 HydrophobicContact CB-CZ 4.24Å; V415-F481 HydrophobicContact CG1-CD1 4.14Å; V415-F481 HydrophobicContact CG1-CE1 4.3Å; V415-F481 HydrophobicContact CG1-CG 4.36Å; V415-F481 HydrophobicContact CG2-CE1 4.17Å; V415-F481 HydrophobicContact CG2-CE2 4.14Å; V415-F481 HydrophobicContact CG2-CZ 3.84Å; F477-F481 PolarHBondContact O-N 3.26Å; F478-F481 AromaticContact CD2-CD1 3.87Å; F478-F481 HydrophobicContact CD2-CD1 3.87Å; F478-F481 AromaticContact CE2-CD1 3.82Å; F478-F481 HydrophobicContact CE2-CD1 3.82Å; F478-F481 HydrophobicContact CE2-CE1 4.14Å; F478-F481 PolarHBondContact O-N 2.95Å; F481-I484 PolarHBondContact O-N 3.3Å; F481-W485 HydrophobicContact CE1-CB 4.28Å; F481-W485 HydrophobicContact CZ-CB 4.48Å; F481-W485 VanDerWaalsContact O-CB 3.27Å; F481-W485 WeakPolarHBondContact O-CB 3.28Å; F481-W485 PolarHBondContact O-N 3.23Å
482	M	93.2	Very high	90.8	Very high	3 Å²	3	26 Å²	26	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-70.6	-34	-179.3	-75	-61.2	-61.9	0	0	112.7	A412 F478 A479 I480 W485 A486 T779 V783 P790	A412-M482 HydrophobicContact CB-CE 4.21Å; A412-M482 HydrophobicContact CB-SD 3.73Å; F478-M482 HydrophobicContact CD1-CG 4.09Å; F478-M482 HydrophobicContact CD2-CG 4.06Å; F478-M482 HydrophobicContact CE1-CG 3.82Å; F478-M482 HydrophobicContact CE1-SD 4.31Å; F478-M482 HydrophobicContact CE2-CG 3.79Å; F478-M482 HydrophobicContact CE2-SD 3.86Å; F478-M482 HydrophobicContact CG-CG 4.22Å; F478-M482 HydrophobicContact CZ-CG 3.67Å; F478-M482 HydrophobicContact CZ-SD 3.66Å; F478-M482 VanDerWaalsContact O-CB 3.32Å; F478-M482 WeakPolarHBondContact O-CB 3.22Å; F478-M482 VanDerWaalsContact O-CG 3.26Å; F478-M482 WeakPolarHBondContact O-CG 3.33Å; F478-M482 PolarHBondContact O-N 3.31Å; A479-M482 PolarHBondContact O-N 3.42Å; I480-M482 VanDerWaalsContact C-N 3.32Å; I480-M482 PolarHBondContact O-N 3.5Å; M482-W485 HydrophobicContact CE-CD2 4.27Å; M482-W485 HydrophobicContact CE-CE3 3.62Å; M482-W485 HydrophobicContact CE-CZ3 3.9Å; M482-W485 PolarHBondContact O-N 2.93Å; M482-W485 HydrophobicContact SD-CE3 4.36Å; M482-A486 WeakPolarHBondContact O-CB 3.28Å; M482-A486 PolarHBondContact O-N 2.97Å; M482-T779 WeakPolarHBondContact CE-O 3.41Å; M482-V783 HydrophobicContact CB-CG1 3.84Å; M482-V783 HydrophobicContact CE-CG2 4.45Å; M482-V783 HydrophobicContact CG-CG1 4.07Å; M482-V783 HydrophobicContact CG-CG2 3.96Å; M482-P790 HydrophobicContact CE-CG 3.8Å; M482-P790 HydrophobicContact SD-CG 4.21Å
483	A	91.4	Very high	91	Very high	18 Å²	18	25.9 Å²	25.9	15%	0.149	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-41.3	171	0	0	0	0	0	112.1	A479 I480 A486 T487 V838 V940	A479-A483 PolarHBondContact O-N 2.92Å; I480-A483 PolarHBondContact O-N 3.01Å; A483-A486 PolarHBondContact O-N 3.34Å; A483-T487 WeakPolarHBondContact O-CG2 3.37Å; A483-T487 PolarHBondContact O-N 2.92Å; A483-V838 HydrophobicContact CB-CG2 4.04Å; A483-V940 HydrophobicContact CB-CG1 3.48Å; A483-V940 VanDerWaalsContact CB-CG1 3.48Å
484	I	91.9	Very high	91.3	Very high	56 Å²	56	25.8 Å²	25.8	29%	0.287	13%	0.131	S	C	.	.	H	α-helix	trans	-63.5	-46	172.9	-70	169.7	0	0	0	110.7	I480 F481 A486 T487 V488 I943 I947	I480-I484 HydrophobicContact CG2-CD1 4.01Å; I480-I484 WeakPolarHBondContact O-CG1 3.04Å; I480-I484 PolarHBondContact O-N 2.91Å; F481-I484 PolarHBondContact O-N 3.3Å; I484-A486 VanDerWaalsContact C-N 3.34Å; I484-A486 PolarHBondContact O-N 3.34Å; I484-T487 PolarHBondContact O-N 2.96Å; I484-T487 PolarHBondContact O-OG1 3.47Å; I484-V488 HydrophobicContact CG2-CG2 4.34Å; I484-V488 WeakPolarHBondContact O-CB 3.39Å; I484-V488 VanDerWaalsContact O-CG2 3.28Å; I484-V488 WeakPolarHBondContact O-CG2 3.32Å; I484-V488 PolarHBondContact O-N 3.01Å; I484-I943 HydrophobicContact CD1-CG2 3.98Å; I484-I943 HydrophobicContact CG1-CG2 3.75Å; I484-I947 HydrophobicContact CG1-CD1 4.49Å; I484-I947 HydrophobicContact CG2-CD1 3.86Å
485	W	93.8	Very high	91.3	Very high	14 Å²	14	29.2 Å²	29.2	5%	0.053	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-41.8	178.5	171	88.5	0	0	0	112	Y405 M408 L409 A412 F481 M482 T487 V488 F489 F776 T780	Y405-W485 HydrophobicContact CE2-CH2 4.06Å; M408-W485 HydrophobicContact CB-CZ2 4.37Å; M408-W485 PolarHBondContact O-NE1 3.49Å; L409-W485 HydrophobicContact CB-CZ2 4.47Å; L409-W485 HydrophobicContact CD1-CH2 3.65Å; L409-W485 HydrophobicContact CD1-CZ2 3.71Å; A412-W485 HydrophobicContact CB-CD2 4.17Å; A412-W485 HydrophobicContact CB-CG 4.35Å; A412-W485 HydrophobicContact CB-CZ2 4.38Å; F481-W485 HydrophobicContact CE1-CB 4.28Å; F481-W485 HydrophobicContact CZ-CB 4.48Å; F481-W485 VanDerWaalsContact O-CB 3.27Å; F481-W485 WeakPolarHBondContact O-CB 3.28Å; F481-W485 PolarHBondContact O-N 3.23Å; M482-W485 HydrophobicContact CE-CD2 4.27Å; M482-W485 HydrophobicContact CE-CE3 3.62Å; M482-W485 HydrophobicContact CE-CZ3 3.9Å; M482-W485 PolarHBondContact O-N 2.93Å; M482-W485 HydrophobicContact SD-CE3 4.36Å; W485-T487 VanDerWaalsContact C-N 3.35Å; W485-T487 PolarHBondContact O-N 2.98Å; W485-V488 PolarHBondContact O-N 2.65Å; W485-F489 VanDerWaalsContact O-CB 3.28Å; W485-F489 WeakPolarHBondContact O-CB 3.1Å; W485-F489 PolarHBondContact O-N 3.14Å; W485-F776 HydrophobicContact CH2-CE2 4.47Å; W485-F776 HydrophobicContact CZ3-CE2 4.14Å; W485-T780 HydrophobicContact CZ3-CG2 4.32Å
486	A	91.9	Very high	91.2	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-37.7	179.1	0	0	0	0	0	112.5	M482 A483 I484 L490 F776 T780	M482-A486 WeakPolarHBondContact O-CB 3.28Å; M482-A486 PolarHBondContact O-N 2.97Å; A483-A486 PolarHBondContact O-N 3.34Å; I484-A486 VanDerWaalsContact C-N 3.34Å; I484-A486 PolarHBondContact O-N 3.34Å; A486-L490 WeakPolarHBondContact O-CG 3.41Å; A486-L490 PolarHBondContact O-N 2.87Å; A486-F776 HydrophobicContact CB-CZ 4.22Å; A486-T780 HydrophobicContact CB-CG2 4.41Å
487	T	90.5	Very high	91.1	Very high	17 Å²	17	34 Å²	34	10%	0.104	16%	0.156	C	C	.	.	H	α-helix	trans	-72.6	-44.8	176.5	61.8	0	0	0	0	111.2	A483 I484 W485 F489 L490 E491 K944	A483-T487 WeakPolarHBondContact O-CG2 3.37Å; A483-T487 PolarHBondContact O-N 2.92Å; I484-T487 PolarHBondContact O-N 2.96Å; I484-T487 PolarHBondContact O-OG1 3.47Å; W485-T487 VanDerWaalsContact C-N 3.35Å; W485-T487 PolarHBondContact O-N 2.98Å; T487-F489 VanDerWaalsContact C-N 3.31Å; T487-F489 PolarHBondContact O-N 3.49Å; T487-L490 PolarHBondContact O-N 3.42Å; T487-L490 VanDerWaalsContact O-N 3.17Å; T487-E491 WeakPolarHBondContact O-CG 3.44Å; T487-E491 PolarHBondContact O-N 2.68Å; T487-K944 HydrophobicContact CG2-CB 3.8Å; T487-K944 HydrophobicContact CG2-CD 3.74Å; T487-K944 HydrophobicContact CG2-CG 3.51Å
488	V	91.1	Very high	90.9	Very high	37 Å²	37	28.9 Å²	28.9	22%	0.224	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-39.8	174.9	170.9	0	0	0	0	112.1	I484 W485 F492 I947	I484-V488 HydrophobicContact CG2-CG2 4.34Å; I484-V488 WeakPolarHBondContact O-CB 3.39Å; I484-V488 VanDerWaalsContact O-CG2 3.28Å; I484-V488 WeakPolarHBondContact O-CG2 3.32Å; I484-V488 PolarHBondContact O-N 3.01Å; W485-V488 PolarHBondContact O-N 2.65Å; V488-F492 HydrophobicContact CG1-CD2 3.55Å; V488-F492 HydrophobicContact CG1-CE2 3.53Å; V488-F492 WeakPolarHBondContact O-CB 3.47Å; V488-F492 VanDerWaalsContact O-CD2 3.3Å; V488-F492 WeakPolarHBondContact O-CD2 3.37Å; V488-F492 PolarHBondContact O-N 3.05Å; V488-F492 VanDerWaalsContact O-N 3.07Å; V488-I947 HydrophobicContact CG2-CD1 4.24Å; V488-I947 HydrophobicContact CG2-CG2 3.91Å
489	F	91.3	Very high	90.5	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-47.9	173.9	160.9	-112.2	0	0	0	112	W401 W404 Y405 M408 W485 T487 W493 F776	W401-F489 HydrophobicContact CZ2-CZ 4.4Å; W401-F489 AromaticContact NE1-CZ 3.9Å; W404-F489 AromaticContact CD1-CE2 3.82Å; Y405-F489 HydrophobicContact CD2-CE1 4.32Å; Y405-F489 AromaticContact CD2-CE2 3.92Å; Y405-F489 HydrophobicContact CD2-CE2 3.92Å; Y405-F489 AromaticContact CD2-CZ 3.75Å; Y405-F489 HydrophobicContact CD2-CZ 3.75Å; Y405-F489 HydrophobicContact CG-CE2 4.35Å; Y405-F489 HydrophobicContact CG-CZ 4.19Å; M408-F489 HydrophobicContact CB-CD2 4.04Å; M408-F489 HydrophobicContact CG-CD2 4.24Å; W485-F489 VanDerWaalsContact O-CB 3.28Å; W485-F489 WeakPolarHBondContact O-CB 3.1Å; W485-F489 PolarHBondContact O-N 3.14Å; T487-F489 VanDerWaalsContact C-N 3.31Å; T487-F489 PolarHBondContact O-N 3.49Å; F489-W493 VanDerWaalsContact O-CB 3.3Å; F489-W493 WeakPolarHBondContact O-CB 3.28Å; F489-W493 PolarHBondContact O-N 3.45Å; F489-F776 HydrophobicContact CD1-CD2 4.47Å; F489-F776 AromaticContact CD1-CE2 3.73Å; F489-F776 HydrophobicContact CD1-CE2 3.73Å; F489-F776 HydrophobicContact CD1-CZ 4.44Å; F489-F776 HydrophobicContact CE1-CD2 4.1Å; F489-F776 AromaticContact CE1-CE2 3.74Å; F489-F776 HydrophobicContact CE1-CE2 3.74Å
490	L	90.1	Very high	90.2	Very high	11 Å²	11	31 Å²	31	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-68.7	-45	-178.3	-69.6	173.4	0	0	0	112.3	A486 T487 W493 K494 H827 L830 E831	A486-L490 WeakPolarHBondContact O-CG 3.41Å; A486-L490 PolarHBondContact O-N 2.87Å; T487-L490 PolarHBondContact O-N 3.42Å; T487-L490 VanDerWaalsContact O-N 3.17Å; L490-W493 WeakPolarHBondContact O-CB 3.49Å; L490-W493 PolarHBondContact O-N 3.46Å; L490-W493 VanDerWaalsContact O-N 3.15Å; L490-K494 WeakPolarHBondContact O-CG 3.46Å; L490-K494 PolarHBondContact O-N 2.72Å; L490-H827 PolarHBondContact O-NE2 2.93Å; L490-L830 HydrophobicContact CD2-CB 3.79Å; L490-L830 HydrophobicContact CD2-CD1 4.23Å; L490-E831 HydrophobicContact CD1-CB 4.35Å
491	E	89.7	Confident	89.9	Confident	12 Å²	12	29.8 Å²	29.8	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-43.9	179.6	-65.3	-53.5	148.7	0	0	112.1	T487 W493 K494 R495 I951	T487-E491 WeakPolarHBondContact O-CG 3.44Å; T487-E491 PolarHBondContact O-N 2.68Å; E491-W493 VanDerWaalsContact C-N 3.31Å; E491-W493 PolarHBondContact O-N 3.35Å; E491-K494 PolarHBondContact O-N 3.11Å; E491-K494 IonicContact OE1-NZ 2.71Å; E491-K494 PolarHBondContact OE1-NZ 3.18Å; E491-K494 WeakPolarHBondContact OE2-CD 3.29Å; E491-K494 VanDerWaalsContact OE2-CE 3.29Å; E491-K494 WeakPolarHBondContact OE2-CE 3.38Å; E491-K494 IonicContact OE2-NZ 3.6Å; E491-K494 PolarHBondContact OE2-NZ 2.96Å; E491-R495 PolarHBondContact O-N 3.49Å; E491-I951 HydrophobicContact CB-CB 4.2Å; E491-I951 HydrophobicContact CB-CD1 4.04Å; E491-I951 HydrophobicContact CB-CG2 4.02Å
492	F	90.4	Very high	89.4	Confident	70 Å²	70	29.2 Å²	29.2	31%	0.307	14%	0.138	S	C	.	.	H	α-helix	trans	-69.6	-26.7	172.5	-70.7	-51.2	0	0	0	113.2	W404 M408 V488 R495 R496 I951	W404-F492 HydrophobicContact CZ2-CB 3.72Å; M408-F492 HydrophobicContact CE-CB 4.43Å; M408-F492 HydrophobicContact CE-CD2 4Å; V488-F492 HydrophobicContact CG1-CD2 3.55Å; V488-F492 HydrophobicContact CG1-CE2 3.53Å; V488-F492 WeakPolarHBondContact O-CB 3.47Å; V488-F492 VanDerWaalsContact O-CD2 3.3Å; V488-F492 WeakPolarHBondContact O-CD2 3.37Å; V488-F492 PolarHBondContact O-N 3.05Å; V488-F492 VanDerWaalsContact O-N 3.07Å; F492-R495 PolarHBondContact O-N 3.46Å; F492-R496 WeakPolarHBondContact O-CB 3.2Å; F492-R496 PolarHBondContact O-N 2.65Å; F492-I951 HydrophobicContact CD1-CG2 4.36Å; F492-I951 HydrophobicContact CE1-CD1 4.35Å; F492-I951 HydrophobicContact CE1-CG2 4.37Å; F492-I951 HydrophobicContact CZ-CD1 4.25Å
493	W	90.9	Very high	88.9	Confident	1 Å²	1	32 Å²	32	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-44	171.1	174.6	-112.8	0	0	0	111.9	L397 A400 W401 W404 F489 L490 E491 R495 R496 R497 L500 I823 H827	L397-W493 HydrophobicContact CD1-CH2 3.99Å; L397-W493 HydrophobicContact CD1-CZ2 4.05Å; L397-W493 HydrophobicContact CG-CZ2 4.48Å; A400-W493 HydrophobicContact CB-CH2 4.32Å; W401-W493 HydrophobicContact CB-CH2 3.69Å; W401-W493 HydrophobicContact CB-CZ2 3.72Å; W401-W493 HydrophobicContact CB-CZ3 4.22Å; W401-W493 AromaticContact CD1-CD2 3.77Å; W401-W493 AromaticContact CD1-CE2 3.52Å; W401-W493 AromaticContact CD1-CZ2 3.87Å; W401-W493 AromaticContact CD1-NE1 3.67Å; W401-W493 HydrophobicContact CG-CH2 4.49Å; W401-W493 HydrophobicContact CG-CZ2 4.21Å; W404-W493 HydrophobicContact CB-CE3 3.89Å; W404-W493 HydrophobicContact CB-CZ3 3.96Å; W404-W493 AromaticContact CD1-CE3 3.62Å; W404-W493 AromaticContact CG-CE3 3.74Å; W404-W493 HydrophobicContact CG-CE3 3.74Å; W404-W493 HydrophobicContact CG-CZ3 4.24Å; F489-W493 VanDerWaalsContact O-CB 3.3Å; F489-W493 WeakPolarHBondContact O-CB 3.28Å; F489-W493 PolarHBondContact O-N 3.45Å; L490-W493 WeakPolarHBondContact O-CB 3.49Å; L490-W493 PolarHBondContact O-N 3.46Å; L490-W493 VanDerWaalsContact O-N 3.15Å; E491-W493 VanDerWaalsContact C-N 3.31Å; E491-W493 PolarHBondContact O-N 3.35Å; W493-R495 PolarHBondContact O-N 2.93Å; W493-R496 HydrophobicContact CE3-CB 4.37Å; W493-R496 HydrophobicContact CZ3-CG 4.44Å; W493-R496 PolarHBondContact O-N 2.72Å; W493-R497 HydrophobicContact CZ2-CB 4.23Å; W493-R497 VanDerWaalsContact O-CB 3.3Å; W493-R497 WeakPolarHBondContact O-CB 3.23Å; W493-R497 PolarHBondContact O-N 3.27Å; W493-L500 HydrophobicContact CH2-CD1 4.37Å; W493-I823 HydrophobicContact CZ2-CG2 4Å; W493-H827 AromaticContact CD1-CE1 3.75Å
494	K	89.4	Confident	88.5	Confident	36 Å²	36	31.3 Å²	31.3	16%	0.157	15%	0.146	C	C	.	.	H	α-helix	trans	-53.4	-46.4	173.9	-65.3	-178.3	-167.4	163.6	0	111.1	L490 E491 R497 A498 H827 D953	L490-K494 WeakPolarHBondContact O-CG 3.46Å; L490-K494 PolarHBondContact O-N 2.72Å; E491-K494 PolarHBondContact O-N 3.11Å; E491-K494 IonicContact OE1-NZ 2.71Å; E491-K494 PolarHBondContact OE1-NZ 3.18Å; E491-K494 WeakPolarHBondContact OE2-CD 3.29Å; E491-K494 VanDerWaalsContact OE2-CE 3.29Å; E491-K494 WeakPolarHBondContact OE2-CE 3.38Å; E491-K494 IonicContact OE2-NZ 3.6Å; E491-K494 PolarHBondContact OE2-NZ 2.96Å; K494-R497 WeakPolarHBondContact O-CB 3.35Å; K494-R497 PolarHBondContact O-N 3.48Å; K494-A498 PolarHBondContact O-N 3.11Å; K494-H827 WeakPolarHBondContact CG-NE2 3.37Å; K494-D953 HydrophobicContact CD-CB 4.44Å; K494-D953 WeakPolarHBondContact CD-OD1 3.21Å; K494-D953 WeakPolarHBondContact CE-OD1 3.24Å; K494-D953 IonicContact NZ-OD1 3.64Å; K494-D953 PolarHBondContact NZ-OD1 3.45Å
495	R	89.4	Confident	87.9	Confident	86 Å²	86	31.1 Å²	31.1	33%	0.325	15%	0.146	S	C	.	.	H	α-helix	trans	-65.6	-42.9	179	-177.5	178.6	158.2	173.4	-3.8	112.8	E491 F492 W493 A498 E499 D953 P955	E491-R495 PolarHBondContact O-N 3.49Å; F492-R495 PolarHBondContact O-N 3.46Å; W493-R495 PolarHBondContact O-N 2.93Å; R495-A498 PolarHBondContact O-N 3.49Å; R495-E499 IonicContact NE-OE1 3.94Å; R495-E499 PolarHBondContact O-N 2.98Å; R495-D953 VanDerWaalsContact CA-O 3.25Å; R495-D953 WeakPolarHBondContact CA-O 3.13Å; R495-P955 HydrophobicContact CG-CG 3.79Å
496	R	87.3	Confident	87.1	Confident	72 Å²	72	30.6 Å²	30.6	27%	0.272	14%	0.144	S	C	.	.	H	α-helix	trans	-70.3	-34	177.1	-175.9	58	-169.6	150.5	10.7	112.2	W404 F492 W493 E499 L500	W404-R496 HydrophobicContact CD2-CB 4.48Å; W404-R496 HydrophobicContact CD2-CG 4.36Å; W404-R496 HydrophobicContact CE3-CB 4.49Å; W404-R496 HydrophobicContact CE3-CG 4.03Å; W404-R496 HydrophobicContact CZ3-CG 4.24Å; F492-R496 WeakPolarHBondContact O-CB 3.2Å; F492-R496 PolarHBondContact O-N 2.65Å; W493-R496 HydrophobicContact CE3-CB 4.37Å; W493-R496 HydrophobicContact CZ3-CG 4.44Å; W493-R496 PolarHBondContact O-N 2.72Å; R496-E499 VanDerWaalsContact CD-OE2 3.28Å; R496-E499 WeakPolarHBondContact CD-OE2 3.39Å; R496-E499 IonicContact CZ-OE2 2.79Å; R496-E499 IonicContact NE-OE2 3.14Å; R496-E499 IonicContact NH1-OE2 2.65Å; R496-E499 PolarHBondContact NH1-OE2 2.8Å; R496-E499 PolarHBondContact O-N 2.86Å; R496-L500 WeakPolarHBondContact O-CG 3.4Å; R496-L500 PolarHBondContact O-N 3.47Å; R496-L500 VanDerWaalsContact O-N 3.15Å
497	R	87.8	Confident	86.1	Confident	52 Å²	52	32 Å²	32	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-51.6	168.1	173.2	-174.6	61.2	175.4	1.3	110	W493 K494 E499 L500 T501 D822	W493-R497 HydrophobicContact CZ2-CB 4.23Å; W493-R497 VanDerWaalsContact O-CB 3.3Å; W493-R497 WeakPolarHBondContact O-CB 3.23Å; W493-R497 PolarHBondContact O-N 3.27Å; K494-R497 WeakPolarHBondContact O-CB 3.35Å; K494-R497 PolarHBondContact O-N 3.48Å; R497-E499 VanDerWaalsContact C-N 3.27Å; R497-E499 PolarHBondContact O-N 3.06Å; R497-L500 CarbonylContact O-C 3.43Å; R497-L500 WeakPolarHBondContact O-CA 3.47Å; R497-L500 PolarHBondContact O-N 3.42Å; R497-T501 PolarHBondContact O-N 2.9Å; R497-T501 PolarHBondContact O-OG1 3.4Å; R497-D822 VanDerWaalsContact CD-CB 3.41Å; R497-D822 VanDerWaalsContact NH1-CB 3.33Å; R497-D822 IonicContact NH1-OD2 3.5Å; R497-D822 PolarHBondContact NH1-OD2 3.49Å
498	A	87.1	Confident	84.8	Confident	19 Å²	19	34.9 Å²	34.9	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-56.6	-39	-179.7	0	0	0	0	0	113	K494 R495 Y502 M954 L958	K494-A498 PolarHBondContact O-N 3.11Å; R495-A498 PolarHBondContact O-N 3.49Å; A498-Y502 PolarHBondContact O-N 2.95Å; A498-Y502 VanDerWaalsContact O-N 3.16Å; A498-M954 HydrophobicContact CB-CG 4.26Å; A498-L958 HydrophobicContact CB-CD2 4.08Å; A498-L958 WeakPolarHBondContact O-CD2 3.39Å
499	E	85.4	Confident	83.5	Confident	41 Å²	41	34.7 Å²	34.7	19%	0.192	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-48.3	171.3	-68	168.6	-174.4	0	0	111.8	R495 R496 R497 Y502 D503 P955	R495-E499 IonicContact NE-OE1 3.94Å; R495-E499 PolarHBondContact O-N 2.98Å; R496-E499 VanDerWaalsContact CD-OE2 3.28Å; R496-E499 WeakPolarHBondContact CD-OE2 3.39Å; R496-E499 IonicContact CZ-OE2 2.79Å; R496-E499 IonicContact NE-OE2 3.14Å; R496-E499 IonicContact NH1-OE2 2.65Å; R496-E499 PolarHBondContact NH1-OE2 2.8Å; R496-E499 PolarHBondContact O-N 2.86Å; R497-E499 VanDerWaalsContact C-N 3.27Å; R497-E499 PolarHBondContact O-N 3.06Å; E499-Y502 PolarHBondContact O-N 2.91Å; E499-D503 WeakPolarHBondContact O-CB 3.45Å; E499-D503 PolarHBondContact O-N 3.37Å; E499-P955 HydrophobicContact CG-CG 3.64Å; E499-P955 VanDerWaalsContact OE1-CG 3.3Å; E499-P955 WeakPolarHBondContact OE1-CG 3.15Å
500	L	86	Confident	82	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-40.4	178.7	-66.6	169.9	0	0	0	113.3	L397 A400 W493 R496 R497 Y502 D503 W504	L397-L500 HydrophobicContact CD1-CD1 4.3Å; A400-L500 HydrophobicContact CB-CD1 3.66Å; W493-L500 HydrophobicContact CH2-CD1 4.37Å; R496-L500 WeakPolarHBondContact O-CG 3.4Å; R496-L500 PolarHBondContact O-N 3.47Å; R496-L500 VanDerWaalsContact O-N 3.15Å; R497-L500 CarbonylContact O-C 3.43Å; R497-L500 WeakPolarHBondContact O-CA 3.47Å; R497-L500 PolarHBondContact O-N 3.42Å; L500-Y502 PolarHBondContact O-N 3.37Å; L500-D503 PolarHBondContact O-N 2.69Å; L500-W504 HydrophobicContact CB-CD2 4.44Å; L500-W504 HydrophobicContact CB-CE3 4.43Å; L500-W504 HydrophobicContact CD1-CH2 4.45Å; L500-W504 HydrophobicContact CD2-CH2 4.29Å; L500-W504 HydrophobicContact CD2-CZ2 3.76Å; L500-W504 WeakPolarHBondContact O-CB 3.48Å; L500-W504 VanDerWaalsContact O-CG 3.28Å; L500-W504 PolarHBondContact O-N 3.02Å
501	T	86.5	Confident	80.3	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-31.7	177.6	-50	0	0	0	0	111	R497 L506 I507 T821	R497-T501 PolarHBondContact O-N 2.9Å; R497-T501 PolarHBondContact O-OG1 3.4Å; T501-L506 HydrophobicContact CG2-CB 3.68Å; T501-L506 WeakPolarHBondContact O-CB 3.45Å; T501-L506 PolarHBondContact O-N 2.89Å; T501-I507 HydrophobicContact CG2-CG1 4.01Å; T501-T821 PolarHBondContact OG1-O 3.39Å; T501-T821 VanDerWaalsContact OG1-O 3.11Å
502	Y	83.3	Confident	78.8	Confident	39 Å²	39	52.9 Å²	52.9	15%	0.153	25%	0.245	C	C	.	.	H	α-helix	trans	-73.6	-59.4	169.3	-178.3	-95.8	0	0	0	112.2	A498 E499 L500 W504 D505 I507 L958 R961 M962 E965	A498-Y502 PolarHBondContact O-N 2.95Å; A498-Y502 VanDerWaalsContact O-N 3.16Å; E499-Y502 PolarHBondContact O-N 2.91Å; L500-Y502 PolarHBondContact O-N 3.37Å; Y502-W504 PolarHBondContact O-N 2.81Å; Y502-D505 PolarHBondContact O-N 3.26Å; Y502-I507 HydrophobicContact CD2-CD1 3.76Å; Y502-I507 HydrophobicContact CG-CD1 4.35Å; Y502-L958 VanDerWaalsContact CB-CD1 3.45Å; Y502-L958 HydrophobicContact CD1-CD1 3.61Å; Y502-L958 HydrophobicContact CD2-CD1 3.69Å; Y502-L958 HydrophobicContact CE1-CD1 4.29Å; Y502-L958 HydrophobicContact CE2-CD1 4.38Å; Y502-L958 HydrophobicContact CG-CD1 3.27Å; Y502-R961 HydrophobicContact CE1-CB 4.44Å; Y502-R961 VanDerWaalsContact CE1-NH1 3.35Å; Y502-M962 HydrophobicContact CD2-CG 3.47Å; Y502-M962 VanDerWaalsContact CD2-CG 3.47Å; Y502-M962 HydrophobicContact CD2-SD 4.21Å; Y502-M962 HydrophobicContact CE2-CG 3.53Å; Y502-E965 WeakPolarHBondContact CE2-OE2 3.34Å; Y502-E965 PolarHBondContact OH-OE2 3.43Å
503	D	80.9	Confident	77.4	Confident	63 Å²	63	51.1 Å²	51.1	34%	0.337	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-11.9	-174.3	-61.1	-24.6	0	0	0	112.2	E499 L500 R961	E499-D503 WeakPolarHBondContact O-CB 3.45Å; E499-D503 PolarHBondContact O-N 3.37Å; L500-D503 PolarHBondContact O-N 2.69Å; D503-R961 IonicContact OD1-CZ 2.67Å; D503-R961 IonicContact OD1-NH1 3.68Å; D503-R961 PolarHBondContact OD1-NH1 2.84Å; D503-R961 IonicContact OD1-NH2 3.7Å; D503-R961 PolarHBondContact OD1-NH2 3.35Å
504	W	83.3	Confident	76.2	Confident	3 Å²	3	53.8 Å²	53.8	1%	0.011	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	9.2	176.9	-63.3	-10.6	0	0	0	116.4	L384 D385 R388 L397 A400 L500 Y502 L506	L384-W504 HydrophobicContact CB-CZ2 4.19Å; D385-W504 PolarHBondContact OD1-NE1 2.99Å; R388-W504 VanDerWaalsContact NH1-CA 3.33Å; R388-W504 PolarHBondContact NH1-O 3.25Å; L397-W504 HydrophobicContact CB-CZ3 4.03Å; L397-W504 HydrophobicContact CD1-CZ3 4.1Å; A400-W504 HydrophobicContact CB-CH2 4.31Å; L500-W504 HydrophobicContact CB-CD2 4.44Å; L500-W504 HydrophobicContact CB-CE3 4.43Å; L500-W504 HydrophobicContact CD1-CH2 4.45Å; L500-W504 HydrophobicContact CD2-CH2 4.29Å; L500-W504 HydrophobicContact CD2-CZ2 3.76Å; L500-W504 WeakPolarHBondContact O-CB 3.48Å; L500-W504 VanDerWaalsContact O-CG 3.28Å; L500-W504 PolarHBondContact O-N 3.02Å; Y502-W504 PolarHBondContact O-N 2.81Å; W504-L506 HydrophobicContact CB-CD1 3.82Å; W504-L506 HydrophobicContact CB-CG 4.21Å; W504-L506 HydrophobicContact CE3-CD1 4Å
505	D	79.8	Confident	75.3	Confident	51 Å²	51	54.9 Å²	54.9	27%	0.273	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	43.6	-179.8	-52.5	-79.9	0	0	0	114.4	R230 T283 Y502	R230-D505 PolarHBondContact NE-O 3.29Å; R230-D505 PolarHBondContact NH2-O 2.83Å; T283-D505 WeakPolarHBondContact CB-OD1 3.33Å; T283-D505 WeakPolarHBondContact CG2-OD1 3.44Å; T283-D505 PolarHBondContact OG1-OD1 3.2Å; Y502-D505 PolarHBondContact O-N 3.26Å
506	L	77.3	Confident	74.7	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	25%	0.248	C	C	.	.			trans	-110.6	-5.2	-175.9	-67.2	164.4	0	0	0	114.6	E393 T501 W504 W509 R819 A820	E393-L506 HydrophobicContact CB-CD1 4.15Å; E393-L506 HydrophobicContact CB-CD2 4.24Å; E393-L506 HydrophobicContact CG-CD1 4.48Å; E393-L506 HydrophobicContact CG-CD2 4.16Å; T501-L506 HydrophobicContact CG2-CB 3.68Å; T501-L506 WeakPolarHBondContact O-CB 3.45Å; T501-L506 PolarHBondContact O-N 2.89Å; W504-L506 HydrophobicContact CB-CD1 3.82Å; W504-L506 HydrophobicContact CB-CG 4.21Å; W504-L506 HydrophobicContact CE3-CD1 4Å; L506-W509 WeakPolarHBondContact O-CB 3.39Å; L506-W509 PolarHBondContact O-N 3.3Å; L506-R819 HydrophobicContact CD2-CB 4.14Å; L506-R819 HydrophobicContact CD2-CG 3.87Å; L506-A820 WeakPolarHBondContact CD1-O 3.44Å
507	I	71.2	Confident	74.5	Confident	35 Å²	35	49.7 Å²	49.7	18%	0.179	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	141.3	179.4	-65.5	-175.9	0	0	0	111.2	R230 T501 Y502 W509 M962	R230-I507 VanDerWaalsContact CZ-O 3.28Å; R230-I507 PolarHBondContact NH1-O 2.97Å; R230-I507 PolarHBondContact NH2-O 3.39Å; T501-I507 HydrophobicContact CG2-CG1 4.01Å; Y502-I507 HydrophobicContact CD2-CD1 3.76Å; Y502-I507 HydrophobicContact CG-CD1 4.35Å; I507-W509 PolarHBondContact O-N 2.87Å; I507-M962 HydrophobicContact CD1-CE 3.59Å; I507-M962 HydrophobicContact CD1-CG 4.33Å; I507-M962 HydrophobicContact CD1-SD 3.62Å; I507-M962 HydrophobicContact CG2-CE 4.14Å
508	D	63.4	Low	74	Confident	77 Å²	77	48.3 Å²	48.3	41%	0.412	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	5.9	-178.7	-48.6	-23.2	0	0	0	114.2	E510 E512 K966	D508-E510 PolarHBondContact O-N 3.39Å; D508-E512 PolarHBondContact O-N 3.09Å; D508-K966 IonicContact OD2-NZ 2.62Å; D508-K966 PolarHBondContact OD2-NZ 3.13Å
509	W	62.2	Low	73.5	Confident	33 Å²	33	52.4 Å²	52.4	13%	0.125	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-41	-176.3	177.7	77.3	0	0	0	114.4	L506 I507 E511 E512 E513 E514 R819 T821	L506-W509 WeakPolarHBondContact O-CB 3.39Å; L506-W509 PolarHBondContact O-N 3.3Å; I507-W509 PolarHBondContact O-N 2.87Å; W509-E511 VanDerWaalsContact C-N 3.29Å; W509-E511 PolarHBondContact O-N 3Å; W509-E512 PolarHBondContact O-N 3.34Å; W509-E513 VanDerWaalsContact CD1-OE2 3.26Å; W509-E513 HydrophobicContact CD2-CB 4.41Å; W509-E513 HydrophobicContact CG-CB 4.24Å; W509-E513 HydrophobicContact CZ2-CB 4.41Å; W509-E513 PolarHBondContact NE1-OE2 3.23Å; W509-E513 WeakPolarHBondContact O-CB 3.46Å; W509-E513 PolarHBondContact O-N 3.18Å; W509-E514 HydrophobicContact CH2-CB 4.46Å; W509-R819 HydrophobicContact CD2-CB 4.1Å; W509-R819 HydrophobicContact CE3-CB 4.46Å; W509-R819 HydrophobicContact CH2-CB 4.02Å; W509-R819 HydrophobicContact CZ2-CB 3.61Å; W509-R819 HydrophobicContact CZ3-CB 4.42Å; W509-T821 HydrophobicContact CB-CG2 4.22Å; W509-T821 HydrophobicContact CE3-CG2 4.18Å
510	E	60.1	Low	73.3	Confident	94 Å²	94	50.8 Å²	50.8	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-70.4	-27.2	-169.7	-159.5	168.9	162.7	0	0	112.4	D508 T821	D508-E510 PolarHBondContact O-N 3.39Å; E510-T821 HydrophobicContact CB-CG2 4.06Å; E510-T821 WeakPolarHBondContact OE2-CB 3.4Å; E510-T821 PolarHBondContact OE2-OG1 2.86Å
511	E	55.6	Low	72.8	Confident	191 Å²	191	53.1 Å²	53.1	89%	0.893	26%	0.255	S	S	*	.	H	α-helix	trans	-88.7	-24.8	175.1	-60	-172.4	172.7	0	0	112.8	W509	W509-E511 VanDerWaalsContact C-N 3.29Å; W509-E511 PolarHBondContact O-N 3Å
512	E	56.7	Low	72.3	Confident	121 Å²	121	53.5 Å²	53.5	57%	0.565	26%	0.261	S	S	*	.	H	α-helix	trans	-100.1	-27.4	-175	-68.2	-170.8	160.3	0	0	115.5	D508 W509	D508-E512 PolarHBondContact O-N 3.09Å; W509-E512 PolarHBondContact O-N 3.34Å
513	E	61.6	Low	72.1	Confident	33 Å²	33	55.3 Å²	55.3	15%	0.154	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-13.2	-168	-83.8	-170	-133.6	0	0	116.3	N228 W509 E515 R819	N228-E513 HydrophobicContact CB-CG 4.46Å; W509-E513 VanDerWaalsContact CD1-OE2 3.26Å; W509-E513 HydrophobicContact CD2-CB 4.41Å; W509-E513 HydrophobicContact CG-CB 4.24Å; W509-E513 HydrophobicContact CZ2-CB 4.41Å; W509-E513 PolarHBondContact NE1-OE2 3.23Å; W509-E513 WeakPolarHBondContact O-CB 3.46Å; W509-E513 PolarHBondContact O-N 3.18Å; E513-E515 PolarHBondContact O-N 3.25Å; E513-R819 IonicContact OE1-CZ 2.83Å; E513-R819 IonicContact OE1-NH1 2.6Å; E513-R819 PolarHBondContact OE1-NH1 2.78Å; E513-R819 IonicContact OE2-CZ 2.97Å; E513-R819 IonicContact OE2-NH1 2.98Å; E513-R819 PolarHBondContact OE2-NH1 3.24Å
514	E	66.5	Low	72.1	Confident	57 Å²	57	52.9 Å²	52.9	27%	0.266	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-69.4	128	-174	-171.4	168.9	-145	0	0	113.9	W509 T632 S634	W509-E514 HydrophobicContact CH2-CB 4.46Å; E514-T632 HydrophobicContact CG-CG2 3.93Å; E514-T632 WeakPolarHBondContact OE1-CB 3.4Å; E514-T632 VanDerWaalsContact OE2-CB 3.3Å; E514-T632 WeakPolarHBondContact OE2-CB 3.25Å; E514-T632 WeakPolarHBondContact OE2-CG2 3.16Å; E514-T632 PolarHBondContact OE2-OG1 2.97Å; E514-T632 VanDerWaalsContact OE2-OG1 3.1Å; E514-S634 VanDerWaalsContact CD-OG 3.24Å; E514-S634 WeakPolarHBondContact OE1-CB 3.3Å; E514-S634 PolarHBondContact OE1-N 3.3Å; E514-S634 PolarHBondContact OE1-OG 3.09Å; E514-S634 VanDerWaalsContact OE1-OG 3.11Å; E514-S634 WeakPolarHBondContact OE2-CB 3.29Å; E514-S634 PolarHBondContact OE2-OG 3.42Å
515	E	70.4	Confident	71.6	Confident	60 Å²	60	53.9 Å²	53.9	28%	0.28	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-85.4	147.6	-176.7	-60.7	-169	-137.6	0	0	114.1	H314 R318 E513	H314-E515 IonicContact CE1-OE1 2.74Å; H314-E515 PolarHBondContact CE1-OE1 3.01Å; H314-E515 IonicContact CE1-OE2 3.9Å; H314-E515 PolarHBondContact CE1-OE2 2.76Å; H314-E515 IonicContact CG-OE1 2.68Å; H314-E515 VanDerWaalsContact ND1-CD 3.29Å; H314-E515 IonicContact ND1-OE1 2.81Å; H314-E515 PolarHBondContact ND1-OE1 2.68Å; H314-E515 IonicContact ND1-OE2 3.91Å; H314-E515 PolarHBondContact ND1-OE2 3.05Å; H314-E515 VanDerWaalsContact ND1-OE2 3.15Å; R318-E515 IonicContact CZ-OE2 3.14Å; R318-E515 IonicContact NE-OE2 2.81Å; R318-E515 PolarHBondContact NE-OE2 3.49Å; R318-E515 IonicContact NH2-OE2 2.71Å; R318-E515 PolarHBondContact NH2-OE2 3.32Å; E513-E515 PolarHBondContact O-N 3.25Å
516	L	76.9	Confident	71.4	Confident	27 Å²	27	62.8 Å²	62.8	14%	0.141	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-69.7	142.2	170.5	-62.8	178	0	0	0	111.4	P518 E521 P539 R631	L516-P518 WeakPolarHBondContact O-CD 3.39Å; L516-E521 HydrophobicContact CB-CG 3.77Å; L516-E521 HydrophobicContact CD1-CG 4.13Å; L516-P539 HydrophobicContact CD1-CG 3.69Å; L516-R631 HydrophobicContact CD2-CG 3.45Å; L516-R631 VanDerWaalsContact CD2-CG 3.45Å
517	R	82.4	Confident	71.5	Confident	21 Å²	21	65.9 Å²	65.9	8%	0.079	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-70.6	127.2	176.4	-155.4	177.9	-154.5	-167.6	29.9	110.1	Q519 F520 E521 N626 R631 E633	R517-Q519 PolarHBondContact O-N 2.87Å; R517-F520 HydrophobicContact CB-CB 4.27Å; R517-F520 WeakPolarHBondContact O-CA 3.4Å; R517-F520 VanDerWaalsContact O-CB 3.31Å; R517-F520 WeakPolarHBondContact O-CB 3.29Å; R517-F520 PolarHBondContact O-N 3.32Å; R517-E521 PolarHBondContact O-N 3.3Å; R517-E521 VanDerWaalsContact O-N 3.17Å; R517-N626 PolarHBondContact NH1-OD1 2.82Å; R517-R631 PolarHBondContact N-O 3.31Å; R517-E633 WeakPolarHBondContact CG-OE1 3.44Å; R517-E633 IonicContact CZ-OE1 3.49Å; R517-E633 IonicContact CZ-OE2 2.68Å; R517-E633 VanDerWaalsContact CZ-OE2 3.25Å; R517-E633 IonicContact NE-OE1 2.69Å; R517-E633 PolarHBondContact NE-OE1 3.46Å; R517-E633 IonicContact NE-OE2 3.26Å; R517-E633 PolarHBondContact NE-OE2 3.33Å; R517-E633 IonicContact NH2-OE1 3.38Å; R517-E633 IonicContact NH2-OE2 2.68Å; R517-E633 PolarHBondContact NH2-OE2 3.5Å
518	P	76.4	Confident	71.9	Confident	23 Å²	23	69.2 Å²	69.2	15%	0.149	33%	0.327	C	S	.	.	H	α-helix	trans	-57.8	-24.2	-178.4	-29.2	35.9	0	0	0	114.9	M328 L516 A522	M328-P518 HydrophobicContact CE-CB 4.23Å; L516-P518 WeakPolarHBondContact O-CD 3.39Å; P518-A522 WeakPolarHBondContact O-CB 3.45Å; P518-A522 PolarHBondContact O-N 2.71Å
519	Q	77	Confident	72.9	Confident	105 Å²	105	72.8 Å²	72.8	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-68.8	-37.4	173.1	-61.3	176.6	2.2	0	0	112.7	R517 K523	R517-Q519 PolarHBondContact O-N 2.87Å; Q519-K523 PolarHBondContact O-N 3.14Å
520	F	81.8	Confident	73.9	Confident	8 Å²	8	75.7 Å²	75.7	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-71.3	-49.5	178.1	-177.6	-91	0	0	0	110.3	R517 A522 K523 Y524 P539 Q541 H629 P630 R631	R517-F520 HydrophobicContact CB-CB 4.27Å; R517-F520 WeakPolarHBondContact O-CA 3.4Å; R517-F520 VanDerWaalsContact O-CB 3.31Å; R517-F520 WeakPolarHBondContact O-CB 3.29Å; R517-F520 PolarHBondContact O-N 3.32Å; F520-A522 PolarHBondContact O-N 2.96Å; F520-K523 PolarHBondContact O-N 3.45Å; F520-K523 VanDerWaalsContact O-N 3.15Å; F520-Y524 HydrophobicContact CD1-CD2 4.31Å; F520-Y524 AromaticContact CD2-CD2 3.71Å; F520-Y524 HydrophobicContact CD2-CD2 3.71Å; F520-Y524 AromaticContact CD2-CE2 3.81Å; F520-Y524 HydrophobicContact CD2-CE2 3.81Å; F520-Y524 HydrophobicContact CE1-CD2 4.21Å; F520-Y524 AromaticContact CE2-CD2 3.61Å; F520-Y524 HydrophobicContact CE2-CD2 3.61Å; F520-Y524 AromaticContact CE2-CE2 3.68Å; F520-Y524 HydrophobicContact CE2-CE2 3.68Å; F520-Y524 HydrophobicContact CG-CD2 4.07Å; F520-Y524 AromaticContact CZ-CD2 3.86Å; F520-Y524 HydrophobicContact CZ-CD2 3.86Å; F520-Y524 HydrophobicContact CZ-CE2 4.33Å; F520-Y524 WeakPolarHBondContact O-CD2 3.47Å; F520-Y524 PolarHBondContact O-N 3Å; F520-P539 HydrophobicContact CD1-CG 4.3Å; F520-P539 HydrophobicContact CE1-CB 4.25Å; F520-P539 HydrophobicContact CE1-CG 4.17Å; F520-P539 WeakPolarHBondContact CE1-O 3.44Å; F520-Q541 HydrophobicContact CE2-CB 3.97Å; F520-Q541 HydrophobicContact CZ-CB 3.99Å; F520-H629 WeakPolarHBondContact CD2-O 3.43Å; F520-P630 WeakPolarHBondContact CD2-O 3.44Å; F520-R631 HydrophobicContact CE1-CG 4.29Å; F520-R631 HydrophobicContact CE2-CB 4.37Å; F520-R631 HydrophobicContact CZ-CB 4.36Å; F520-R631 HydrophobicContact CZ-CG 4.49Å
521	E	75.9	Confident	74.8	Confident	52 Å²	52	73 Å²	73	24%	0.243	34%	0.344	C	S	.	.	H	α-helix	trans	-54.5	-51.1	174.4	-61.3	-174.5	134.3	0	0	111.4	M328 L516 R517 K523 Y524 S525 P539	M328-E521 HydrophobicContact CE-CB 3.94Å; M328-E521 WeakPolarHBondContact CE-OE2 3.4Å; L516-E521 HydrophobicContact CB-CG 3.77Å; L516-E521 HydrophobicContact CD1-CG 4.13Å; R517-E521 PolarHBondContact O-N 3.3Å; R517-E521 VanDerWaalsContact O-N 3.17Å; E521-K523 PolarHBondContact O-N 2.81Å; E521-K523 VanDerWaalsContact O-N 3.11Å; E521-Y524 PolarHBondContact O-N 3.31Å; E521-S525 WeakPolarHBondContact O-CB 3.12Å; E521-S525 PolarHBondContact O-N 3.26Å; E521-P539 HydrophobicContact CG-CG 4.48Å
522	A	75.7	Confident	76.1	Confident	28 Å²	28	69.7 Å²	69.7	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-28.7	-179.2	0	0	0	0	0	113.7	P518 F520	P518-A522 WeakPolarHBondContact O-CB 3.45Å; P518-A522 PolarHBondContact O-N 2.71Å; F520-A522 PolarHBondContact O-N 2.96Å
523	K	79.2	Confident	77.1	Confident	76 Å²	76	71.6 Å²	71.6	33%	0.33	35%	0.351	S	S	.	.	H	α-helix	trans	-86.5	-45.1	178.4	-177.2	178.5	175.4	-163	0	112.8	Q519 F520 E521 D545 H629	Q519-K523 PolarHBondContact O-N 3.14Å; F520-K523 PolarHBondContact O-N 3.45Å; F520-K523 VanDerWaalsContact O-N 3.15Å; E521-K523 PolarHBondContact O-N 2.81Å; E521-K523 VanDerWaalsContact O-N 3.11Å; K523-D545 IonicContact NZ-OD2 2.75Å; K523-H629 WeakPolarHBondContact CD-CD2 3.3Å; K523-H629 PolarHBondContact NZ-CD2 3.16Å; K523-H629 VanDerWaalsContact NZ-CD2 3.3Å; K523-H629 PolarHBondContact NZ-CE1 3.02Å; K523-H629 VanDerWaalsContact NZ-CG 3.27Å; K523-H629 PolarHBondContact NZ-ND1 2.78Å; K523-H629 PolarHBondContact NZ-NE2 3.43Å
524	Y	79.8	Confident	77.8	Confident	13 Å²	13	72.2 Å²	72.2	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-98.4	7.8	-173.3	-61.4	-75.8	0	0	0	114.2	F520 E521 R526 V527 Q541 D545 H629	F520-Y524 HydrophobicContact CD1-CD2 4.31Å; F520-Y524 AromaticContact CD2-CD2 3.71Å; F520-Y524 HydrophobicContact CD2-CD2 3.71Å; F520-Y524 AromaticContact CD2-CE2 3.81Å; F520-Y524 HydrophobicContact CD2-CE2 3.81Å; F520-Y524 HydrophobicContact CE1-CD2 4.21Å; F520-Y524 AromaticContact CE2-CD2 3.61Å; F520-Y524 HydrophobicContact CE2-CD2 3.61Å; F520-Y524 AromaticContact CE2-CE2 3.68Å; F520-Y524 HydrophobicContact CE2-CE2 3.68Å; F520-Y524 HydrophobicContact CG-CD2 4.07Å; F520-Y524 AromaticContact CZ-CD2 3.86Å; F520-Y524 HydrophobicContact CZ-CD2 3.86Å; F520-Y524 HydrophobicContact CZ-CE2 4.33Å; F520-Y524 WeakPolarHBondContact O-CD2 3.47Å; F520-Y524 PolarHBondContact O-N 3Å; E521-Y524 PolarHBondContact O-N 3.31Å; Y524-R526 PolarHBondContact O-N 2.58Å; Y524-V527 PolarHBondContact O-N 3.05Å; Y524-Q541 HydrophobicContact CE1-CB 4.28Å; Y524-Q541 HydrophobicContact CE1-CG 4.11Å; Y524-Q541 HydrophobicContact CE2-CB 4.31Å; Y524-Q541 HydrophobicContact CE2-CG 4.28Å; Y524-Q541 PolarHBondContact OH-NE2 2.92Å; Y524-D545 PolarHBondContact OH-OD2 3.15Å; Y524-H629 HydrophobicContact CE2-CB 4.44Å
525	S	74.4	Confident	78.4	Confident	24 Å²	24	72.1 Å²	72.1	17%	0.168	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	15.7	175	62.4	0	0	0	0	118	K325 E521	K325-S525 PolarHBondContact NZ-O 3.07Å; E521-S525 WeakPolarHBondContact O-CB 3.12Å; E521-S525 PolarHBondContact O-N 3.26Å
526	R	74.9	Confident	78.9	Confident	237 Å²	237	75.9 Å²	75.9	89%	0.894	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	-6.7	171.4	-65.3	-175.4	176.5	-172.5	-1.7	113	Y524	Y524-R526 PolarHBondContact O-N 2.58Å
527	V	79.9	Confident	79.1	Confident	69 Å²	69	78.5 Å²	78.5	42%	0.418	41%	0.408	S	S	.	.			trans	-126.4	78.9	-176.8	-175.7	0	0	0	0	106.7	Y524 P539 F540	Y524-V527 PolarHBondContact O-N 3.05Å; V527-P539 WeakPolarHBondContact O-CA 3.17Å; V527-F540 WeakPolarHBondContact CG1-O 3.29Å; V527-F540 PolarHBondContact O-N 2.98Å
528	E	79.9	Confident	79	Confident	105 Å²	105	79 Å²	79	49%	0.491	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.8	-177.9	-65.9	168.8	-156.7	0	0	109.3	K325 P537 E538	K325-E528 IonicContact NZ-OE1 3.85Å; K325-E528 PolarHBondContact NZ-OE1 2.79Å; E528-P537 HydrophobicContact CB-CB 4.35Å; E528-E538 CarbonylContact C-O 3.6Å; E528-E538 WeakPolarHBondContact CA-O 3.34Å
529	R	82.6	Confident	79.3	Confident	152 Å²	152	78.8 Å²	78.8	57%	0.574	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	136	174.4	179.3	178.2	176.8	170.2	1.8	108.5	N531 E538 F540	R529-N531 PolarHBondContact O-N 2.71Å; R529-E538 PolarHBondContact N-O 3.25Å; R529-E538 PolarHBondContact O-N 3.01Å; R529-F540 HydrophobicContact CB-CB 3.96Å; R529-F540 HydrophobicContact CB-CG 4.38Å
530	V	84.3	Confident	79.6	Confident	93 Å²	93	77.3 Å²	77.3	56%	0.564	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	123.3	172.1	-176.3	0	0	0	0	109.1	K536	V530-K536 WeakPolarHBondContact CA-O 3.29Å
531	N	79.4	Confident	79.6	Confident	38 Å²	38	77.6 Å²	77.6	20%	0.203	40%	0.403	C	S	.	.			trans	-73.7	125.2	174.3	173.1	-11.3	0	0	0	109.2	R529 I533 S534 G535 K536 E538	R529-N531 PolarHBondContact O-N 2.71Å; N531-I533 PolarHBondContact O-N 2.83Å; N531-I533 WeakPolarHBondContact OD1-CB 3.25Å; N531-I533 PolarHBondContact OD1-N 3.34Å; N531-S534 WeakPolarHBondContact CB-OG 3.27Å; N531-S534 PolarHBondContact ND2-OG 3.04Å; N531-S534 PolarHBondContact OD1-N 2.94Å; N531-G535 WeakPolarHBondContact O-CA 3.34Å; N531-G535 PolarHBondContact O-N 3.37Å; N531-K536 PolarHBondContact N-O 3.03Å; N531-E538 HydrophobicContact CB-CG 4.34Å; N531-E538 VanDerWaalsContact CB-OE1 3.23Å; N531-E538 WeakPolarHBondContact CB-OE1 3.21Å; N531-E538 PolarHBondContact ND2-OE1 2.9Å; N531-E538 PolarHBondContact ND2-OE2 3.02Å
532	P	82.8	Confident	80.1	Confident	121 Å²	121	77.4 Å²	77.4	79%	0.786	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.2	-176.7	28.9	-36.5	0	0	0	114.3
533	I	77.8	Confident	80.6	Confident	162 Å²	162	83.9 Å²	83.9	83%	0.831	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-50.1	178.2	-52	174.9	0	0	0	110.4	N531	N531-I533 PolarHBondContact O-N 2.83Å; N531-I533 WeakPolarHBondContact OD1-CB 3.25Å; N531-I533 PolarHBondContact OD1-N 3.34Å
534	S	75.7	Confident	80.9	Confident	45 Å²	45	84.7 Å²	84.7	32%	0.315	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.1	-173.4	80.1	0	0	0	0	114.2	N531 K536 E538	N531-S534 WeakPolarHBondContact CB-OG 3.27Å; N531-S534 PolarHBondContact ND2-OG 3.04Å; N531-S534 PolarHBondContact OD1-N 2.94Å; S534-K536 PolarHBondContact O-N 3.41Å; S534-K536 VanDerWaalsContact O-N 3.14Å; S534-K536 PolarHBondContact OG-N 2.7Å; S534-E538 PolarHBondContact OG-OE1 3.25Å
535	G	79.6	Confident	81.2	Confident	56 Å²	56	85.8 Å²	85.8	58%	0.577	45%	0.452	S	S	*	.			trans	68.1	1.1	-174.2	0	0	0	0	0	114.7	N531	N531-G535 WeakPolarHBondContact O-CA 3.34Å; N531-G535 PolarHBondContact O-N 3.37Å
536	K	79.7	Confident	81.8	Confident	138 Å²	138	88.8 Å²	88.8	60%	0.6	46%	0.462	S	S	*	.	S	Bend	trans	-96.3	149.8	-175	-65.4	163.8	-171.9	170	0	111.2	V530 N531 S534 E538	V530-K536 WeakPolarHBondContact CA-O 3.29Å; N531-K536 PolarHBondContact N-O 3.03Å; S534-K536 PolarHBondContact O-N 3.41Å; S534-K536 VanDerWaalsContact O-N 3.14Å; S534-K536 PolarHBondContact OG-N 2.7Å; K536-E538 PolarHBondContact O-N 2.82Å
537	P	80.9	Confident	82.5	Confident	82 Å²	82	82.5 Å²	82.5	53%	0.532	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.8	166.6	29.5	-32.6	0	0	0	109.9	E528	E528-P537 HydrophobicContact CB-CB 4.35Å
538	E	80.4	Confident	83	Confident	33 Å²	33	82.3 Å²	82.3	15%	0.154	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.2	177.9	-71.6	173.5	-149.3	0	0	110.1	E528 R529 N531 S534 K536 R631	E528-E538 CarbonylContact C-O 3.6Å; E528-E538 WeakPolarHBondContact CA-O 3.34Å; R529-E538 PolarHBondContact N-O 3.25Å; R529-E538 PolarHBondContact O-N 3.01Å; N531-E538 HydrophobicContact CB-CG 4.34Å; N531-E538 VanDerWaalsContact CB-OE1 3.23Å; N531-E538 WeakPolarHBondContact CB-OE1 3.21Å; N531-E538 PolarHBondContact ND2-OE1 2.9Å; N531-E538 PolarHBondContact ND2-OE2 3.02Å; S534-E538 PolarHBondContact OG-OE1 3.25Å; K536-E538 PolarHBondContact O-N 2.82Å; E538-R631 IonicContact OE2-CZ 3.65Å; E538-R631 IonicContact OE2-NH1 2.68Å; E538-R631 PolarHBondContact OE2-NH1 3.32Å; E538-R631 IonicContact OE2-NH2 2.79Å; E538-R631 PolarHBondContact OE2-NH2 2.82Å
539	P	82.9	Confident	83.5	Confident	18 Å²	18	80.9 Å²	80.9	12%	0.117	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.1	177.4	27.3	-33.8	0	0	0	111.2	L516 F520 E521 V527	L516-P539 HydrophobicContact CD1-CG 3.69Å; F520-P539 HydrophobicContact CD1-CG 4.3Å; F520-P539 HydrophobicContact CE1-CB 4.25Å; F520-P539 HydrophobicContact CE1-CG 4.17Å; F520-P539 WeakPolarHBondContact CE1-O 3.44Å; E521-P539 HydrophobicContact CG-CG 4.48Å; V527-P539 WeakPolarHBondContact O-CA 3.17Å
540	F	83.5	Confident	83.8	Confident	73 Å²	73	77.6 Å²	77.6	32%	0.32	43%	0.43	S	S	.	.			trans	-125.5	135.5	-172.9	179.4	-102.8	0	0	0	112.4	V527 R529 F543	V527-F540 WeakPolarHBondContact CG1-O 3.29Å; V527-F540 PolarHBondContact O-N 2.98Å; R529-F540 HydrophobicContact CB-CB 3.96Å; R529-F540 HydrophobicContact CB-CG 4.38Å; F540-F543 HydrophobicContact CZ-CD2 4.43Å
541	Q	83.3	Confident	84.1	Confident	14 Å²	14	79 Å²	79	7%	0.065	43%	0.432	C	S	.	.			trans	-93	122	176.5	-179.3	178.3	55.1	0	0	110.5	F520 Y524 K546 E628	F520-Q541 HydrophobicContact CE2-CB 3.97Å; F520-Q541 HydrophobicContact CZ-CB 3.99Å; Y524-Q541 HydrophobicContact CE1-CB 4.28Å; Y524-Q541 HydrophobicContact CE1-CG 4.11Å; Y524-Q541 HydrophobicContact CE2-CB 4.31Å; Y524-Q541 HydrophobicContact CE2-CG 4.28Å; Y524-Q541 PolarHBondContact OH-NE2 2.92Å; Q541-K546 HydrophobicContact CG-CB 4.16Å; Q541-K546 VanDerWaalsContact OE1-CG 3.28Å; Q541-E628 PolarHBondContact NE2-O 3.16Å
542	P	86.3	Confident	84.7	Confident	48 Å²	48	81.4 Å²	81.4	31%	0.312	45%	0.448	S	S	.	.			trans	-61	139.2	175.6	-24.5	35	0	0	0	113	S544 D545 K546	P542-S544 VanDerWaalsContact C-N 3.29Å; P542-S544 PolarHBondContact O-N 3.02Å; P542-D545 HydrophobicContact CB-CB 4.46Å; P542-D545 PolarHBondContact O-N 3.41Å; P542-D545 VanDerWaalsContact O-N 3.14Å; P542-K546 PolarHBondContact O-N 2.96Å
543	F	84.9	Confident	85.1	Confident	165 Å²	165	75.8 Å²	75.8	72%	0.724	41%	0.412	S	S	*	.	H	α-helix	trans	-59.5	-33.6	-176.5	-102	-88.9	0	0	0	114.1	F540 K546 L547	F540-F543 HydrophobicContact CZ-CD2 4.43Å; F543-K546 PolarHBondContact O-N 2.92Å; F543-L547 VanDerWaalsContact O-CB 3.26Å; F543-L547 WeakPolarHBondContact O-CB 3.47Å; F543-L547 PolarHBondContact O-N 3.36Å
544	S	86	Confident	85.7	Confident	93 Å²	93	70.6 Å²	70.6	65%	0.65	39%	0.387	S	S	*	.	H	α-helix	trans	-69.1	-38.5	176.7	48.6	0	0	0	0	113	P542 S548	P542-S544 VanDerWaalsContact C-N 3.29Å; P542-S544 PolarHBondContact O-N 3.02Å; S544-S548 WeakPolarHBondContact O-CB 3.4Å; S544-S548 PolarHBondContact O-N 2.9Å; S544-S548 PolarHBondContact O-OG 3.08Å
545	D	86.1	Confident	86.5	Confident	35 Å²	35	71.7 Å²	71.7	19%	0.187	40%	0.395	C	S	.	.	H	α-helix	trans	-68.9	-39.1	173.4	-172.7	54.7	0	0	0	110.8	K523 Y524 P542 S548 R549	K523-D545 IonicContact NZ-OD2 2.75Å; Y524-D545 PolarHBondContact OH-OD2 3.15Å; P542-D545 HydrophobicContact CB-CB 4.46Å; P542-D545 PolarHBondContact O-N 3.41Å; P542-D545 VanDerWaalsContact O-N 3.14Å; D545-S548 PolarHBondContact O-OG 3.16Å; D545-R549 WeakPolarHBondContact O-CB 3.49Å; D545-R549 VanDerWaalsContact O-CD 3.29Å; D545-R549 WeakPolarHBondContact O-CD 3.4Å; D545-R549 WeakPolarHBondContact O-CG 3.34Å; D545-R549 PolarHBondContact O-N 2.95Å; D545-R549 IonicContact OD1-CZ 3.3Å; D545-R549 IonicContact OD1-NE 2.89Å; D545-R549 PolarHBondContact OD1-NE 3.08Å; D545-R549 IonicContact OD1-NH2 3.21Å; D545-R549 PolarHBondContact OD1-NH2 3.47Å; D545-R549 IonicContact OD2-CZ 3.43Å; D545-R549 IonicContact OD2-NE 3.19Å; D545-R549 PolarHBondContact OD2-NE 3.22Å; D545-R549 VanDerWaalsContact OD2-NE 3.14Å; D545-R549 IonicContact OD2-NH2 2.74Å
546	K	87.6	Confident	87.1	Confident	88 Å²	88	69.9 Å²	69.9	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-48.1	174.6	-164.8	168.2	-167	162	0	111.7	Q541 P542 F543 L550 E635	Q541-K546 HydrophobicContact CG-CB 4.16Å; Q541-K546 VanDerWaalsContact OE1-CG 3.28Å; P542-K546 PolarHBondContact O-N 2.96Å; F543-K546 PolarHBondContact O-N 2.92Å; K546-L550 WeakPolarHBondContact O-CB 3.49Å; K546-L550 PolarHBondContact O-N 3.22Å; K546-E635 IonicContact NZ-OE1 3.86Å
547	L	89	Confident	87.7	Confident	104 Å²	104	64.2 Å²	64.2	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-66.3	-44.3	-177	-179.1	61	0	0	0	112.6	F543 R549 L550 M551	F543-L547 VanDerWaalsContact O-CB 3.26Å; F543-L547 WeakPolarHBondContact O-CB 3.47Å; F543-L547 PolarHBondContact O-N 3.36Å; L547-R549 PolarHBondContact O-N 2.86Å; L547-L550 PolarHBondContact O-N 3.32Å; L547-M551 HydrophobicContact CD1-CG 4.29Å; L547-M551 VanDerWaalsContact O-CG 3.3Å; L547-M551 WeakPolarHBondContact O-CG 3.22Å; L547-M551 PolarHBondContact O-N 3.38Å
548	S	89.7	Confident	88.2	Confident	65 Å²	65	66.9 Å²	66.9	46%	0.455	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-41.1	178.6	53.4	0	0	0	0	112.2	S544 D545 M551 V552	S544-S548 WeakPolarHBondContact O-CB 3.4Å; S544-S548 PolarHBondContact O-N 2.9Å; S544-S548 PolarHBondContact O-OG 3.08Å; D545-S548 PolarHBondContact O-OG 3.16Å; S548-M551 PolarHBondContact O-N 2.9Å; S548-V552 WeakPolarHBondContact O-CG2 3.28Å; S548-V552 PolarHBondContact O-N 3.41Å; S548-V552 VanDerWaalsContact O-N 3.16Å
549	R	90.3	Very high	88.8	Confident	76 Å²	76	71.9 Å²	71.9	29%	0.287	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-43.9	173.8	-69.2	171.1	-168.3	-60.4	-21.6	112.4	D545 L547 M551 V552 S553 L627	D545-R549 WeakPolarHBondContact O-CB 3.49Å; D545-R549 VanDerWaalsContact O-CD 3.29Å; D545-R549 WeakPolarHBondContact O-CD 3.4Å; D545-R549 WeakPolarHBondContact O-CG 3.34Å; D545-R549 PolarHBondContact O-N 2.95Å; D545-R549 IonicContact OD1-CZ 3.3Å; D545-R549 IonicContact OD1-NE 2.89Å; D545-R549 PolarHBondContact OD1-NE 3.08Å; D545-R549 IonicContact OD1-NH2 3.21Å; D545-R549 PolarHBondContact OD1-NH2 3.47Å; D545-R549 IonicContact OD2-CZ 3.43Å; D545-R549 IonicContact OD2-NE 3.19Å; D545-R549 PolarHBondContact OD2-NE 3.22Å; D545-R549 VanDerWaalsContact OD2-NE 3.14Å; D545-R549 IonicContact OD2-NH2 2.74Å; L547-R549 PolarHBondContact O-N 2.86Å; R549-M551 VanDerWaalsContact C-N 3.34Å; R549-M551 PolarHBondContact O-N 3.36Å; R549-V552 PolarHBondContact O-N 3.22Å; R549-S553 PolarHBondContact O-N 3.38Å; R549-L627 WeakPolarHBondContact CD-O 3.49Å
550	L	89.3	Confident	89.2	Confident	82 Å²	82	71.6 Å²	71.6	43%	0.429	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-42.7	177.1	-176.5	63.3	0	0	0	111.3	K546 L547 V552 S553 V554	K546-L550 WeakPolarHBondContact O-CB 3.49Å; K546-L550 PolarHBondContact O-N 3.22Å; L547-L550 PolarHBondContact O-N 3.32Å; L550-V552 PolarHBondContact O-N 3.26Å; L550-S553 PolarHBondContact O-N 2.89Å; L550-S553 VanDerWaalsContact O-N 3.17Å; L550-V554 HydrophobicContact CD1-CG2 4.27Å; L550-V554 HydrophobicContact CG-CG2 4.36Å; L550-V554 WeakPolarHBondContact O-CB 3.5Å; L550-V554 VanDerWaalsContact O-CG2 3.3Å; L550-V554 WeakPolarHBondContact O-CG2 3.31Å; L550-V554 PolarHBondContact O-N 2.89Å
551	M	90.4	Very high	89.6	Confident	124 Å²	124	69.6 Å²	69.6	61%	0.611	37%	0.367	S	S	*	.	H	α-helix	trans	-62.7	-39.1	176.7	-70.9	-67	-115.7	0	0	112.7	L547 S548 R549 V554 S555	L547-M551 HydrophobicContact CD1-CG 4.29Å; L547-M551 VanDerWaalsContact O-CG 3.3Å; L547-M551 WeakPolarHBondContact O-CG 3.22Å; L547-M551 PolarHBondContact O-N 3.38Å; S548-M551 PolarHBondContact O-N 2.9Å; R549-M551 VanDerWaalsContact C-N 3.34Å; R549-M551 PolarHBondContact O-N 3.36Å; M551-V554 PolarHBondContact O-N 3.41Å; M551-S555 PolarHBondContact O-N 3.02Å; M551-S555 PolarHBondContact O-OG 3.35Å
552	V	91.8	Very high	90	Very high	87 Å²	87	72.1 Å²	72.1	53%	0.527	39%	0.386	S	S	.	.	H	α-helix	trans	-65.5	-39	173	172.2	0	0	0	0	111.5	S548 R549 L550 S555 G556	S548-V552 WeakPolarHBondContact O-CG2 3.28Å; S548-V552 PolarHBondContact O-N 3.41Å; S548-V552 VanDerWaalsContact O-N 3.16Å; R549-V552 PolarHBondContact O-N 3.22Å; L550-V552 PolarHBondContact O-N 3.26Å; V552-S555 PolarHBondContact O-OG 3.02Å; V552-S555 VanDerWaalsContact O-OG 3.1Å; V552-G556 PolarHBondContact O-N 3Å; V552-G556 VanDerWaalsContact O-N 3.16Å
553	S	91.7	Very high	90.2	Very high	3 Å²	3	73 Å²	73	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-67.9	-42.5	175.2	-172.2	0	0	0	0	112.3	R549 L550 G556 I557 E628 K643	R549-S553 PolarHBondContact O-N 3.38Å; L550-S553 PolarHBondContact O-N 2.89Å; L550-S553 VanDerWaalsContact O-N 3.17Å; S553-G556 PolarHBondContact O-N 3.46Å; S553-I557 WeakPolarHBondContact O-CG1 3.17Å; S553-I557 PolarHBondContact O-N 3.02Å; S553-I557 VanDerWaalsContact O-N 3.08Å; S553-E628 VanDerWaalsContact CB-OE1 3.31Å; S553-E628 WeakPolarHBondContact CB-OE1 3.29Å; S553-E628 PolarHBondContact OG-OE1 3.33Å; S553-K643 WeakPolarHBondContact OG-CE 3.44Å
554	V	91	Very high	90.5	Very high	53 Å²	53	65.1 Å²	65.1	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-42.8	-179.4	168.6	0	0	0	0	111.2	L550 M551 G556 I557 F558	L550-V554 HydrophobicContact CD1-CG2 4.27Å; L550-V554 HydrophobicContact CG-CG2 4.36Å; L550-V554 WeakPolarHBondContact O-CB 3.5Å; L550-V554 VanDerWaalsContact O-CG2 3.3Å; L550-V554 WeakPolarHBondContact O-CG2 3.31Å; L550-V554 PolarHBondContact O-N 2.89Å; M551-V554 PolarHBondContact O-N 3.41Å; V554-G556 VanDerWaalsContact C-N 3.33Å; V554-G556 PolarHBondContact O-N 3.2Å; V554-I557 PolarHBondContact O-N 2.99Å; V554-F558 HydrophobicContact CG1-CD2 3.78Å; V554-F558 HydrophobicContact CG1-CE2 3.6Å; V554-F558 VanDerWaalsContact O-CD2 3.29Å; V554-F558 WeakPolarHBondContact O-CD2 3.48Å; V554-F558 PolarHBondContact O-N 3.23Å; V554-F558 VanDerWaalsContact O-N 3.08Å
555	S	92.5	Very high	90.7	Very high	69 Å²	69	65.2 Å²	65.2	48%	0.483	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-36.1	175.2	64.8	0	0	0	0	112.5	M551 V552 I557 F558 F559	M551-S555 PolarHBondContact O-N 3.02Å; M551-S555 PolarHBondContact O-OG 3.35Å; V552-S555 PolarHBondContact O-OG 3.02Å; V552-S555 VanDerWaalsContact O-OG 3.1Å; S555-I557 PolarHBondContact O-N 3.48Å; S555-F558 PolarHBondContact O-N 2.86Å; S555-F559 WeakPolarHBondContact O-CB 3Å; S555-F559 PolarHBondContact O-N 2.92Å
556	G	91.6	Very high	90.9	Very high	18 Å²	18	67.6 Å²	67.6	19%	0.186	36%	0.362	C	S	.	.	H	α-helix	trans	-60.5	-39.2	171.6	0	0	0	0	0	113.7	V552 S553 V554 M560	V552-G556 PolarHBondContact O-N 3Å; V552-G556 VanDerWaalsContact O-N 3.16Å; S553-G556 PolarHBondContact O-N 3.46Å; V554-G556 VanDerWaalsContact C-N 3.33Å; V554-G556 PolarHBondContact O-N 3.2Å; G556-M560 WeakPolarHBondContact O-CG 3.49Å; G556-M560 PolarHBondContact O-N 3.44Å
557	I	92.3	Very high	90.9	Very high	19 Å²	19	64.2 Å²	64.2	10%	0.097	35%	0.351	C	S	.	.	H	α-helix	trans	-65.1	-48.8	174.3	-60.1	160.2	0	0	0	110.4	S553 V554 S555 F559 M560 I561 K643	S553-I557 WeakPolarHBondContact O-CG1 3.17Å; S553-I557 PolarHBondContact O-N 3.02Å; S553-I557 VanDerWaalsContact O-N 3.08Å; V554-I557 PolarHBondContact O-N 2.99Å; S555-I557 PolarHBondContact O-N 3.48Å; I557-F559 VanDerWaalsContact C-N 3.32Å; I557-F559 PolarHBondContact O-N 3.35Å; I557-M560 PolarHBondContact O-N 3.26Å; I557-I561 HydrophobicContact CG2-CD1 3.83Å; I557-I561 HydrophobicContact CG2-CG1 4.45Å; I557-I561 WeakPolarHBondContact O-CG1 3.42Å; I557-I561 PolarHBondContact O-N 2.93Å; I557-K643 HydrophobicContact CD1-CG 3.76Å; I557-K643 HydrophobicContact CG1-CG 4.2Å
558	F	92.1	Very high	90.8	Very high	137 Å²	137	60.1 Å²	60.1	60%	0.601	33%	0.33	S	S	*	.	H	α-helix	trans	-62.2	-36.8	179.5	-80.7	-64.9	0	0	0	113.1	V554 S555 I561 S562	V554-F558 HydrophobicContact CG1-CD2 3.78Å; V554-F558 HydrophobicContact CG1-CE2 3.6Å; V554-F558 VanDerWaalsContact O-CD2 3.29Å; V554-F558 WeakPolarHBondContact O-CD2 3.48Å; V554-F558 PolarHBondContact O-N 3.23Å; V554-F558 VanDerWaalsContact O-N 3.08Å; S555-F558 PolarHBondContact O-N 2.86Å; F558-I561 PolarHBondContact O-N 2.78Å; F558-S562 WeakPolarHBondContact O-CB 3.25Å; F558-S562 PolarHBondContact O-N 3.47Å
559	F	93.4	Very high	90.6	Very high	138 Å²	138	61.8 Å²	61.8	61%	0.605	33%	0.329	S	S	*	.	H	α-helix	trans	-59.5	-48.2	173.2	175.2	-99.3	0	0	0	111.8	S555 I557 I561 S562 L563	S555-F559 WeakPolarHBondContact O-CB 3Å; S555-F559 PolarHBondContact O-N 2.92Å; I557-F559 VanDerWaalsContact C-N 3.32Å; I557-F559 PolarHBondContact O-N 3.35Å; F559-I561 PolarHBondContact O-N 3.4Å; F559-S562 WeakPolarHBondContact O-CB 3.38Å; F559-S562 PolarHBondContact O-N 3.32Å; F559-L563 PolarHBondContact O-N 3.17Å
560	M	90.7	Very high	90.5	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.059	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-34.4	179	-66.9	-59.9	-66.4	0	0	112.8	G556 I557 L563 V564 V616 Y617 V620 F647	G556-M560 WeakPolarHBondContact O-CG 3.49Å; G556-M560 PolarHBondContact O-N 3.44Å; I557-M560 PolarHBondContact O-N 3.26Å; M560-L563 PolarHBondContact O-N 3.24Å; M560-V564 WeakPolarHBondContact O-CG2 3.25Å; M560-V564 PolarHBondContact O-N 2.61Å; M560-V564 VanDerWaalsContact O-N 3.08Å; M560-V616 HydrophobicContact CE-CG1 4.38Å; M560-Y617 HydrophobicContact CB-CD2 3.71Å; M560-Y617 HydrophobicContact CB-CE2 3.69Å; M560-Y617 HydrophobicContact CE-CD2 3.92Å; M560-Y617 HydrophobicContact CG-CD2 3.74Å; M560-Y617 HydrophobicContact CG-CE2 3.84Å; M560-V620 HydrophobicContact CG-CG1 4.38Å; M560-F647 HydrophobicContact CB-CD2 4.08Å; M560-F647 HydrophobicContact CB-CE2 4.19Å; M560-F647 HydrophobicContact CE-CE2 4.37Å
561	I	91.4	Very high	90.3	Very high	31 Å²	31	57.6 Å²	57.6	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-64.1	-42.8	172	-73	173.1	0	0	0	111	I557 F558 F559 L563 V564 L565 V650	I557-I561 HydrophobicContact CG2-CD1 3.83Å; I557-I561 HydrophobicContact CG2-CG1 4.45Å; I557-I561 WeakPolarHBondContact O-CG1 3.42Å; I557-I561 PolarHBondContact O-N 2.93Å; F558-I561 PolarHBondContact O-N 2.78Å; F559-I561 PolarHBondContact O-N 3.4Å; I561-L563 VanDerWaalsContact C-N 3.32Å; I561-L563 PolarHBondContact O-N 3.47Å; I561-V564 PolarHBondContact O-N 2.73Å; I561-L565 HydrophobicContact CG2-CD1 4.31Å; I561-L565 WeakPolarHBondContact O-CG 3.45Å; I561-L565 PolarHBondContact O-N 2.8Å; I561-V650 HydrophobicContact CD1-CG2 4.49Å; I561-V650 HydrophobicContact CG1-CG2 4.43Å; I561-V650 HydrophobicContact CG2-CG1 4.37Å; I561-V650 HydrophobicContact CG2-CG2 4.44Å
562	S	91.4	Very high	89.9	Confident	68 Å²	68	52.3 Å²	52.3	48%	0.476	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-40	175.6	-169.5	0	0	0	0	112.2	F558 F559 L565 T566	F558-S562 WeakPolarHBondContact O-CB 3.25Å; F558-S562 PolarHBondContact O-N 3.47Å; F559-S562 WeakPolarHBondContact O-CB 3.38Å; F559-S562 PolarHBondContact O-N 3.32Å; S562-L565 PolarHBondContact O-N 2.82Å; S562-T566 WeakPolarHBondContact O-CB 3.22Å; S562-T566 PolarHBondContact O-N 2.93Å; S562-T566 PolarHBondContact O-OG1 3.3Å
563	L	91.4	Very high	89.6	Confident	65 Å²	65	49.7 Å²	49.7	34%	0.34	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-40.2	176	-173.1	149.6	0	0	0	112	F559 M560 I561 T566 A567 L613	F559-L563 PolarHBondContact O-N 3.17Å; M560-L563 PolarHBondContact O-N 3.24Å; I561-L563 VanDerWaalsContact C-N 3.32Å; I561-L563 PolarHBondContact O-N 3.47Å; L563-T566 PolarHBondContact O-N 3.33Å; L563-A567 PolarHBondContact O-N 3.06Å; L563-L613 HydrophobicContact CD2-CD1 4.3Å; L563-L613 HydrophobicContact CD2-CD2 3.54Å
564	V	90.1	Very high	89.3	Confident	1 Å²	1	53 Å²	53	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-48.6	172.7	165.9	0	0	0	0	111.7	M560 I561 T566 A567 V568 L613 F647 V650 N651	M560-V564 WeakPolarHBondContact O-CG2 3.25Å; M560-V564 PolarHBondContact O-N 2.61Å; M560-V564 VanDerWaalsContact O-N 3.08Å; I561-V564 PolarHBondContact O-N 2.73Å; V564-T566 PolarHBondContact O-N 3.41Å; V564-A567 WeakPolarHBondContact O-CB 3.5Å; V564-A567 PolarHBondContact O-N 2.84Å; V564-A567 VanDerWaalsContact O-N 3.09Å; V564-V568 WeakPolarHBondContact O-CG2 3.26Å; V564-V568 PolarHBondContact O-N 3.32Å; V564-L613 HydrophobicContact CG2-CD1 4.28Å; V564-F647 HydrophobicContact CG2-CD2 4.2Å; V564-F647 HydrophobicContact CG2-CE2 3.39Å; V564-F647 HydrophobicContact CG2-CZ 3.77Å; V564-V650 HydrophobicContact CG1-CG1 3.88Å; V564-N651 HydrophobicContact CG1-CB 4.24Å; V564-N651 HydrophobicContact CG2-CB 4.2Å
565	L	90.1	Very high	88.9	Confident	94 Å²	94	51.7 Å²	51.7	49%	0.492	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-36.2	178	-66.3	174.2	0	0	0	111.8	I561 S562 V568 F569 V650	I561-L565 HydrophobicContact CG2-CD1 4.31Å; I561-L565 WeakPolarHBondContact O-CG 3.45Å; I561-L565 PolarHBondContact O-N 2.8Å; S562-L565 PolarHBondContact O-N 2.82Å; L565-V568 PolarHBondContact O-N 3.32Å; L565-F569 PolarHBondContact O-N 3.37Å; L565-V650 HydrophobicContact CD2-CG1 4.18Å
566	T	90.3	Very high	88.3	Confident	85 Å²	85	48.8 Å²	48.8	52%	0.521	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-41	173.7	-54.8	0	0	0	0	111.7	S562 L563 V564 F569 A570	S562-T566 WeakPolarHBondContact O-CB 3.22Å; S562-T566 PolarHBondContact O-N 2.93Å; S562-T566 PolarHBondContact O-OG1 3.3Å; L563-T566 PolarHBondContact O-N 3.33Å; V564-T566 PolarHBondContact O-N 3.41Å; T566-F569 PolarHBondContact O-N 3.41Å; T566-A570 PolarHBondContact O-N 2.99Å
567	A	88.4	Confident	87.8	Confident	17 Å²	17	50.9 Å²	50.9	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-41.4	175.6	0	0	0	0	0	112.4	L563 V564 A570 V571 M609 L613	L563-A567 PolarHBondContact O-N 3.06Å; V564-A567 WeakPolarHBondContact O-CB 3.5Å; V564-A567 PolarHBondContact O-N 2.84Å; V564-A567 VanDerWaalsContact O-N 3.09Å; A567-A570 WeakPolarHBondContact O-CB 3.36Å; A567-A570 PolarHBondContact O-N 3.42Å; A567-V571 WeakPolarHBondContact O-CG2 3.48Å; A567-V571 PolarHBondContact O-N 3.28Å; A567-M609 HydrophobicContact CB-CE 3.97Å; A567-L613 HydrophobicContact CB-CD1 4.08Å
568	V	86.3	Confident	87.3	Confident	18 Å²	18	50.3 Å²	50.3	11%	0.109	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-43.3	174.9	175.4	0	0	0	0	111.2	V564 L565 A570 V571 V572 S654	V564-V568 WeakPolarHBondContact O-CG2 3.26Å; V564-V568 PolarHBondContact O-N 3.32Å; L565-V568 PolarHBondContact O-N 3.32Å; V568-A570 VanDerWaalsContact C-N 3.3Å; V568-A570 PolarHBondContact O-N 3.48Å; V568-V571 PolarHBondContact O-N 3.34Å; V568-V572 WeakPolarHBondContact O-CG2 3.43Å; V568-V572 PolarHBondContact O-N 2.89Å; V568-S654 WeakPolarHBondContact CG2-OG 3.36Å
569	F	86.6	Confident	86.6	Confident	100 Å²	100	45.7 Å²	45.7	44%	0.439	25%	0.248	S	C	.	.	H	α-helix	trans	-60.6	-39.5	174	-178.5	-102.6	0	0	0	111.9	L565 T566 V572 V573 L676 F677	L565-F569 PolarHBondContact O-N 3.37Å; T566-F569 PolarHBondContact O-N 3.41Å; F569-V572 PolarHBondContact O-N 3.03Å; F569-V573 HydrophobicContact CD1-CG2 4.27Å; F569-V573 HydrophobicContact CE1-CG2 3.9Å; F569-V573 HydrophobicContact CE2-CG2 4.48Å; F569-V573 HydrophobicContact CZ-CG2 4.02Å; F569-V573 WeakPolarHBondContact O-CG2 3.29Å; F569-V573 PolarHBondContact O-N 2.89Å; F569-L676 HydrophobicContact CE2-CD1 4.29Å; F569-L676 HydrophobicContact CE2-CD2 4.18Å; F569-L676 HydrophobicContact CZ-CD1 4.2Å; F569-L676 HydrophobicContact CZ-CD2 3.98Å; F569-F677 HydrophobicContact CE1-CE2 4.24Å; F569-F677 HydrophobicContact CE1-CZ 4.34Å; F569-F677 HydrophobicContact CZ-CE2 4.06Å; F569-F677 HydrophobicContact CZ-CZ 4.29Å
570	A	87.6	Confident	85.7	Confident	56 Å²	56	43 Å²	43	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-64.5	-37.5	174	0	0	0	0	0	112.9	T566 A567 V568 V573 F574	T566-A570 PolarHBondContact O-N 2.99Å; A567-A570 WeakPolarHBondContact O-CB 3.36Å; A567-A570 PolarHBondContact O-N 3.42Å; V568-A570 VanDerWaalsContact C-N 3.3Å; V568-A570 PolarHBondContact O-N 3.48Å; A570-V573 PolarHBondContact O-N 3.36Å; A570-F574 WeakPolarHBondContact O-CB 3.29Å; A570-F574 PolarHBondContact O-N 2.87Å
571	V	84.9	Confident	85.2	Confident	15 Å²	15	47.5 Å²	47.5	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-40	172.8	170.1	0	0	0	0	111.5	A567 V568 F574 R575 I605 N606	A567-V571 WeakPolarHBondContact O-CG2 3.48Å; A567-V571 PolarHBondContact O-N 3.28Å; V568-V571 PolarHBondContact O-N 3.34Å; V571-F574 WeakPolarHBondContact O-CB 3.35Å; V571-F574 PolarHBondContact O-N 2.96Å; V571-R575 WeakPolarHBondContact O-CG 3.48Å; V571-R575 PolarHBondContact O-N 3.04Å; V571-I605 HydrophobicContact CG2-CG2 4.39Å; V571-N606 HydrophobicContact CG1-CB 4.14Å; V571-N606 HydrophobicContact CG2-CB 4.49Å
572	V	82.9	Confident	84.5	Confident	12 Å²	12	48 Å²	48	7%	0.073	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-49.5	173.9	171.5	0	0	0	0	110.5	V568 F569 F574 R575 L576 Y658	V568-V572 WeakPolarHBondContact O-CG2 3.43Å; V568-V572 PolarHBondContact O-N 2.89Å; F569-V572 PolarHBondContact O-N 3.03Å; V572-F574 VanDerWaalsContact C-N 3.29Å; V572-F574 PolarHBondContact O-N 2.8Å; V572-R575 PolarHBondContact O-N 2.87Å; V572-R575 VanDerWaalsContact O-N 3.07Å; V572-L576 WeakPolarHBondContact O-CG 3.35Å; V572-L576 PolarHBondContact O-N 3.21Å; V572-Y658 HydrophobicContact CG1-CE1 4.23Å; V572-Y658 HydrophobicContact CG1-CE2 4.37Å; V572-Y658 WeakPolarHBondContact CG1-OH 3.39Å; V572-Y658 HydrophobicContact CG2-CD1 3.81Å; V572-Y658 HydrophobicContact CG2-CD2 4.27Å; V572-Y658 HydrophobicContact CG2-CE1 3.52Å; V572-Y658 HydrophobicContact CG2-CE2 4.01Å; V572-Y658 HydrophobicContact CG2-CG 4.19Å
573	V	84.9	Confident	83.6	Confident	33 Å²	33	45.3 Å²	45.3	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-40.1	176.3	171.8	0	0	0	0	111.5	F569 A570 L576 I577 L676	F569-V573 HydrophobicContact CD1-CG2 4.27Å; F569-V573 HydrophobicContact CE1-CG2 3.9Å; F569-V573 HydrophobicContact CE2-CG2 4.48Å; F569-V573 HydrophobicContact CZ-CG2 4.02Å; F569-V573 WeakPolarHBondContact O-CG2 3.29Å; F569-V573 PolarHBondContact O-N 2.89Å; A570-V573 PolarHBondContact O-N 3.36Å; V573-L576 PolarHBondContact O-N 3.47Å; V573-I577 HydrophobicContact CG1-CD1 3.91Å; V573-I577 WeakPolarHBondContact O-CG1 3.36Å; V573-I577 PolarHBondContact O-N 3.21Å; V573-I577 VanDerWaalsContact O-N 3.13Å; V573-L676 HydrophobicContact CG2-CD2 3.82Å
574	F	86.4	Confident	82.7	Confident	73 Å²	73	45.1 Å²	45.1	32%	0.32	24%	0.243	S	C	.	.	H	α-helix	trans	-58.9	-46.3	172.6	170.5	-90.2	0	0	0	111.9	A570 V571 V572 L576 I577 A578 I605	A570-F574 WeakPolarHBondContact O-CB 3.29Å; A570-F574 PolarHBondContact O-N 2.87Å; V571-F574 WeakPolarHBondContact O-CB 3.35Å; V571-F574 PolarHBondContact O-N 2.96Å; V572-F574 VanDerWaalsContact C-N 3.29Å; V572-F574 PolarHBondContact O-N 2.8Å; F574-L576 VanDerWaalsContact C-N 3.34Å; F574-L576 PolarHBondContact O-N 2.89Å; F574-I577 PolarHBondContact O-N 3.48Å; F574-A578 HydrophobicContact CE1-CB 4.06Å; F574-A578 HydrophobicContact CZ-CB 4.14Å; F574-A578 VanDerWaalsContact O-CB 3.27Å; F574-A578 WeakPolarHBondContact O-CB 3.27Å; F574-A578 PolarHBondContact O-N 3.28Å; F574-I605 HydrophobicContact CD1-CD1 3.96Å; F574-I605 HydrophobicContact CD2-CD1 4.26Å; F574-I605 HydrophobicContact CE1-CD1 3.47Å; F574-I605 VanDerWaalsContact CE1-CD1 3.47Å; F574-I605 HydrophobicContact CE2-CD1 3.78Å; F574-I605 HydrophobicContact CG-CD1 4.35Å; F574-I605 HydrophobicContact CZ-CD1 3.37Å
575	R	81	Confident	82	Confident	25 Å²	25	49.2 Å²	49.2	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-41.6	177.4	-71.3	175.2	100.6	-118.6	7.5	111.5	V571 V572 I577 A578 M579 T598 S599 E683	V571-R575 WeakPolarHBondContact O-CG 3.48Å; V571-R575 PolarHBondContact O-N 3.04Å; V572-R575 PolarHBondContact O-N 2.87Å; V572-R575 VanDerWaalsContact O-N 3.07Å; R575-I577 PolarHBondContact O-N 3.34Å; R575-A578 PolarHBondContact O-N 3.36Å; R575-M579 WeakPolarHBondContact O-CG 3.45Å; R575-M579 PolarHBondContact O-N 3.4Å; R575-T598 HydrophobicContact CB-CG2 4.38Å; R575-S599 PolarHBondContact NH2-OG 2.98Å; R575-S599 VanDerWaalsContact NH2-OG 3.11Å; R575-E683 IonicContact CZ-OE1 2.86Å; R575-E683 IonicContact CZ-OE2 3.95Å; R575-E683 IonicContact NH1-OE1 2.81Å; R575-E683 PolarHBondContact NH1-OE1 2.94Å; R575-E683 IonicContact NH1-OE2 2.71Å; R575-E683 PolarHBondContact NH1-OE2 2.79Å; R575-E683 IonicContact NH2-OE1 3.45Å
576	L	79.5	Confident	81.1	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-45.5	175.9	-59.1	-173	0	0	0	112.3	V572 V573 F574 M579 L676 W680 R681 E683	V572-L576 WeakPolarHBondContact O-CG 3.35Å; V572-L576 PolarHBondContact O-N 3.21Å; V573-L576 PolarHBondContact O-N 3.47Å; F574-L576 VanDerWaalsContact C-N 3.34Å; F574-L576 PolarHBondContact O-N 2.89Å; L576-M579 HydrophobicContact CD2-CE 3.64Å; L576-L676 HydrophobicContact CD1-CD2 4.04Å; L576-W680 HydrophobicContact CB-CB 4.44Å; L576-W680 HydrophobicContact CD1-CB 4.08Å; L576-R681 WeakPolarHBondContact CD2-O 3.24Å; L576-E683 HydrophobicContact CD2-CB 3.95Å
577	I	82.4	Confident	80.5	Confident	63 Å²	63	55.7 Å²	55.7	32%	0.323	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-41.2	178.1	-62.2	164.3	0	0	0	110.9	V573 F574 R575 E580 K581 W680	V573-I577 HydrophobicContact CG1-CD1 3.91Å; V573-I577 WeakPolarHBondContact O-CG1 3.36Å; V573-I577 PolarHBondContact O-N 3.21Å; V573-I577 VanDerWaalsContact O-N 3.13Å; F574-I577 PolarHBondContact O-N 3.48Å; R575-I577 PolarHBondContact O-N 3.34Å; I577-E580 PolarHBondContact O-N 3.1Å; I577-K581 PolarHBondContact O-N 3.12Å; I577-K581 VanDerWaalsContact O-N 3.16Å; I577-W680 HydrophobicContact CB-CH2 4.31Å; I577-W680 HydrophobicContact CB-CZ3 4.27Å; I577-W680 HydrophobicContact CD1-CZ2 4.44Å; I577-W680 HydrophobicContact CG1-CD2 4.21Å; I577-W680 HydrophobicContact CG1-CE3 4.13Å; I577-W680 HydrophobicContact CG1-CH2 3.76Å; I577-W680 HydrophobicContact CG1-CZ2 3.81Å; I577-W680 HydrophobicContact CG1-CZ3 3.91Å; I577-W680 HydrophobicContact CG2-CH2 4.18Å; I577-W680 HydrophobicContact CG2-CZ3 4.46Å
578	A	82.4	Confident	79.9	Confident	7 Å²	7	60.8 Å²	60.8	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-38.2	-179.6	0	0	0	0	0	112.6	F574 R575 E580 K581 F582 T598	F574-A578 HydrophobicContact CE1-CB 4.06Å; F574-A578 HydrophobicContact CZ-CB 4.14Å; F574-A578 VanDerWaalsContact O-CB 3.27Å; F574-A578 WeakPolarHBondContact O-CB 3.27Å; F574-A578 PolarHBondContact O-N 3.28Å; R575-A578 PolarHBondContact O-N 3.36Å; A578-E580 PolarHBondContact O-N 3.4Å; A578-K581 PolarHBondContact O-N 2.82Å; A578-F582 HydrophobicContact CB-CD2 4.03Å; A578-F582 HydrophobicContact CB-CE2 3.85Å; A578-F582 WeakPolarHBondContact O-CB 3.38Å; A578-F582 WeakPolarHBondContact O-CD2 3.45Å; A578-F582 WeakPolarHBondContact O-CG 3.32Å; A578-F582 PolarHBondContact O-N 3.02Å; A578-T598 HydrophobicContact CB-CG2 3.98Å
579	M	75.9	Confident	79.5	Confident	39 Å²	39	66.3 Å²	66.3	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-49.5	176.2	-72.9	-169.4	-72.6	0	0	111.8	R575 L576 K581 A583 W594 T598 E683	R575-M579 WeakPolarHBondContact O-CG 3.45Å; R575-M579 PolarHBondContact O-N 3.4Å; L576-M579 HydrophobicContact CD2-CE 3.64Å; M579-K581 PolarHBondContact O-N 3.39Å; M579-A583 VanDerWaalsContact O-CB 3.31Å; M579-A583 WeakPolarHBondContact O-CB 3.21Å; M579-A583 PolarHBondContact O-N 2.8Å; M579-W594 HydrophobicContact CB-CE3 4.34Å; M579-W594 HydrophobicContact CB-CZ3 3.94Å; M579-W594 HydrophobicContact CG-CE3 4.3Å; M579-W594 HydrophobicContact CG-CZ3 3.75Å; M579-W594 HydrophobicContact SD-CZ3 3.9Å; M579-T598 HydrophobicContact CB-CG2 4.41Å; M579-T598 HydrophobicContact CG-CG2 3.41Å; M579-T598 VanDerWaalsContact CG-CG2 3.41Å; M579-E683 HydrophobicContact CE-CB 4.09Å; M579-E683 HydrophobicContact CE-CG 3.88Å; M579-E683 HydrophobicContact SD-CG 4.27Å
580	E	74.2	Confident	79	Confident	81 Å²	81	63 Å²	63	38%	0.379	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-48.1	178	-171.1	-166.2	101.3	0	0	111	I577 A578 A583 S584 W680	I577-E580 PolarHBondContact O-N 3.1Å; A578-E580 PolarHBondContact O-N 3.4Å; E580-A583 PolarHBondContact O-N 2.98Å; E580-S584 PolarHBondContact O-N 3.47Å; E580-S584 VanDerWaalsContact O-N 3.08Å; E580-S584 PolarHBondContact O-OG 2.97Å; E580-W680 HydrophobicContact CB-CZ3 4.38Å; E580-W680 WeakPolarHBondContact OE2-CZ3 3.46Å
581	K	80.3	Confident	78.3	Confident	107 Å²	107	64.7 Å²	64.7	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-76.6	-23.1	-175.3	-62.8	-45.8	-175.4	-153.2	0	115	I577 A578 M579 F585	I577-K581 PolarHBondContact O-N 3.12Å; I577-K581 VanDerWaalsContact O-N 3.16Å; A578-K581 PolarHBondContact O-N 2.82Å; M579-K581 PolarHBondContact O-N 3.39Å; K581-F585 WeakPolarHBondContact O-CB 3.04Å
582	F	78.4	Confident	77.8	Confident	42 Å²	42	72.5 Å²	72.5	18%	0.184	35%	0.347	C	S	.	.	H	α-helix	trans	-84.5	-29.4	171.6	-66.4	-41.5	0	0	0	112.8	A578 F585 I590 W594 A597 T601	A578-F582 HydrophobicContact CB-CD2 4.03Å; A578-F582 HydrophobicContact CB-CE2 3.85Å; A578-F582 WeakPolarHBondContact O-CB 3.38Å; A578-F582 WeakPolarHBondContact O-CD2 3.45Å; A578-F582 WeakPolarHBondContact O-CG 3.32Å; A578-F582 PolarHBondContact O-N 3.02Å; F582-F585 WeakPolarHBondContact O-CB 3.36Å; F582-F585 PolarHBondContact O-N 2.9Å; F582-I590 HydrophobicContact CB-CG2 4.07Å; F582-I590 HydrophobicContact CD1-CG2 3.74Å; F582-I590 HydrophobicContact CG-CG2 4.15Å; F582-W594 HydrophobicContact CB-CB 4.04Å; F582-A597 HydrophobicContact CD2-CB 4.27Å; F582-A597 HydrophobicContact CG-CB 4.48Å; F582-T601 HydrophobicContact CE2-CG2 4.42Å; F582-T601 HydrophobicContact CZ-CG2 4.34Å
583	A	71	Confident	77.4	Confident	11 Å²	11	74.4 Å²	74.4	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-36	169.7	0	0	0	0	0	112.3	M579 E580 F585 Q591	M579-A583 VanDerWaalsContact O-CB 3.31Å; M579-A583 WeakPolarHBondContact O-CB 3.21Å; M579-A583 PolarHBondContact O-N 2.8Å; E580-A583 PolarHBondContact O-N 2.98Å; A583-F585 VanDerWaalsContact C-N 3.34Å; A583-F585 PolarHBondContact O-N 3.44Å; A583-Q591 WeakPolarHBondContact O-CG 3.43Å; A583-Q591 PolarHBondContact O-NE2 3.1Å; A583-Q591 VanDerWaalsContact O-NE2 3.09Å
584	S	72.5	Confident	76.9	Confident	61 Å²	61	75.3 Å²	75.3	43%	0.427	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	19.8	176.4	84.8	0	0	0	0	114.4	E580	E580-S584 PolarHBondContact O-N 3.47Å; E580-S584 VanDerWaalsContact O-N 3.08Å; E580-S584 PolarHBondContact O-OG 2.97Å
585	F	76.9	Confident	76.2	Confident	88 Å²	88	76 Å²	76	39%	0.386	36%	0.361	S	S	.	.			trans	-92.1	132.1	-171.2	-157.6	-101.3	0	0	0	113	K581 F582 A583 W587 I590	K581-F585 WeakPolarHBondContact O-CB 3.04Å; F582-F585 WeakPolarHBondContact O-CB 3.36Å; F582-F585 PolarHBondContact O-N 2.9Å; A583-F585 VanDerWaalsContact C-N 3.34Å; A583-F585 PolarHBondContact O-N 3.44Å; F585-W587 HydrophobicContact CD1-CB 3.78Å; F585-W587 HydrophobicContact CE1-CB 3.81Å; F585-W587 PolarHBondContact O-N 2.83Å; F585-I590 HydrophobicContact CB-CG2 4.21Å; F585-I590 HydrophobicContact CD1-CB 4.07Å; F585-I590 HydrophobicContact CD1-CD1 4.05Å; F585-I590 HydrophobicContact CD1-CG2 4.1Å; F585-I590 HydrophobicContact CE1-CD1 3.92Å; F585-I590 HydrophobicContact CG-CG2 4.31Å
586	N	70.6	Confident	75.8	Confident	158 Å²	158	81.2 Å²	81.2	85%	0.845	38%	0.384	S	S	*	.	S	Bend	trans	-68.6	3.8	-173.7	-65.1	6.8	0	0	0	116
587	W	77.9	Confident	75.7	Confident	157 Å²	157	82.2 Å²	82.2	60%	0.595	39%	0.393	S	S	*	.			trans	-109.6	108.5	178.9	-173.9	18.4	0	0	0	110.1	F585 F589 I590 Q591	F585-W587 HydrophobicContact CD1-CB 3.78Å; F585-W587 HydrophobicContact CE1-CB 3.81Å; F585-W587 PolarHBondContact O-N 2.83Å; W587-F589 PolarHBondContact O-N 2.96Å; W587-I590 HydrophobicContact CD2-CD1 4.46Å; W587-I590 HydrophobicContact CD2-CG1 4.39Å; W587-I590 HydrophobicContact CE3-CD1 3.54Å; W587-I590 HydrophobicContact CE3-CG1 3.86Å; W587-I590 HydrophobicContact CZ3-CD1 4Å; W587-I590 HydrophobicContact CZ3-CG1 4.38Å; W587-I590 PolarHBondContact O-N 3.21Å; W587-Q591 PolarHBondContact O-N 3.4Å
588	D	74.5	Confident	75.5	Confident	124 Å²	124	79.4 Å²	79.4	66%	0.663	38%	0.379	S	S	*	.	H	α-helix	trans	-45.7	-37.1	-174.1	-53.7	-24.5	0	0	0	114.5	Q591 K592	D588-Q591 PolarHBondContact O-N 3.45Å; D588-K592 WeakPolarHBondContact O-CB 3.49Å; D588-K592 PolarHBondContact O-N 3.23Å
589	F	78.4	Confident	75.2	Confident	133 Å²	133	80.5 Å²	80.5	58%	0.583	39%	0.386	S	S	*	.	H	α-helix	trans	-66.3	-41	179	-179	-94.3	0	0	0	112.7	W587 N593	W587-F589 PolarHBondContact O-N 2.96Å; F589-N593 WeakPolarHBondContact O-CB 3.26Å; F589-N593 PolarHBondContact O-N 2.9Å; F589-N593 PolarHBondContact O-ND2 2.94Å
590	I	77	Confident	75.3	Confident	30 Å²	30	80.2 Å²	80.2	15%	0.154	39%	0.394	C	S	.	.	H	α-helix	trans	-74.2	-43.1	175.3	-65.8	-176.6	0	0	0	109.5	F582 F585 W587 K592 N593 W594 A597	F582-I590 HydrophobicContact CB-CG2 4.07Å; F582-I590 HydrophobicContact CD1-CG2 3.74Å; F582-I590 HydrophobicContact CG-CG2 4.15Å; F585-I590 HydrophobicContact CB-CG2 4.21Å; F585-I590 HydrophobicContact CD1-CB 4.07Å; F585-I590 HydrophobicContact CD1-CD1 4.05Å; F585-I590 HydrophobicContact CD1-CG2 4.1Å; F585-I590 HydrophobicContact CE1-CD1 3.92Å; F585-I590 HydrophobicContact CG-CG2 4.31Å; W587-I590 HydrophobicContact CD2-CD1 4.46Å; W587-I590 HydrophobicContact CD2-CG1 4.39Å; W587-I590 HydrophobicContact CE3-CD1 3.54Å; W587-I590 HydrophobicContact CE3-CG1 3.86Å; W587-I590 HydrophobicContact CZ3-CD1 4Å; W587-I590 HydrophobicContact CZ3-CG1 4.38Å; W587-I590 PolarHBondContact O-N 3.21Å; I590-K592 VanDerWaalsContact C-N 3.35Å; I590-K592 PolarHBondContact O-N 3.04Å; I590-N593 CarbonylContact O-C 3.49Å; I590-N593 PolarHBondContact O-N 2.73Å; I590-W594 WeakPolarHBondContact O-CA 3.35Å; I590-W594 PolarHBondContact O-N 3.26Å; I590-A597 HydrophobicContact CG2-CB 4.33Å
591	Q	72.9	Confident	75.7	Confident	92 Å²	92	78.7 Å²	78.7	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-61.3	-42.4	-180	-163.5	178.5	42.4	0	0	112.1	A583 W587 D588 W594	A583-Q591 WeakPolarHBondContact O-CG 3.43Å; A583-Q591 PolarHBondContact O-NE2 3.1Å; A583-Q591 VanDerWaalsContact O-NE2 3.09Å; W587-Q591 PolarHBondContact O-N 3.4Å; D588-Q591 PolarHBondContact O-N 3.45Å; Q591-W594 VanDerWaalsContact O-CD1 3.32Å
592	K	72.8	Confident	75.7	Confident	180 Å²	180	73.7 Å²	73.7	78%	0.783	37%	0.369	S	S	*	.	H	α-helix	trans	-70.4	-29.5	178	-171.4	172.2	-177.6	176.5	0	113.1	D588 I590	D588-K592 WeakPolarHBondContact O-CB 3.49Å; D588-K592 PolarHBondContact O-N 3.23Å; I590-K592 VanDerWaalsContact C-N 3.35Å; I590-K592 PolarHBondContact O-N 3.04Å
593	N	74.8	Confident	75.7	Confident	52 Å²	52	73.8 Å²	73.8	28%	0.278	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	27.2	-176.1	-58.2	-61.5	0	0	0	112.9	F589 I590 Q595 F596 A597	F589-N593 WeakPolarHBondContact O-CB 3.26Å; F589-N593 PolarHBondContact O-N 2.9Å; F589-N593 PolarHBondContact O-ND2 2.94Å; I590-N593 CarbonylContact O-C 3.49Å; I590-N593 PolarHBondContact O-N 2.73Å; N593-Q595 PolarHBondContact O-N 3.42Å; N593-Q595 VanDerWaalsContact O-N 3.1Å; N593-F596 HydrophobicContact CB-CD2 4.39Å; N593-F596 PolarHBondContact O-N 2.75Å; N593-A597 PolarHBondContact O-N 2.89Å
594	W	75.3	Confident	76.1	Confident	52 Å²	52	77.1 Å²	77.1	20%	0.197	39%	0.394	C	S	.	.	H	α-helix	trans	-57.1	-33.6	-167.9	68.4	-93.6	0	0	0	113.6	M579 F582 I590 Q591 A597 T598	M579-W594 HydrophobicContact CB-CE3 4.34Å; M579-W594 HydrophobicContact CB-CZ3 3.94Å; M579-W594 HydrophobicContact CG-CE3 4.3Å; M579-W594 HydrophobicContact CG-CZ3 3.75Å; M579-W594 HydrophobicContact SD-CZ3 3.9Å; F582-W594 HydrophobicContact CB-CB 4.04Å; I590-W594 WeakPolarHBondContact O-CA 3.35Å; I590-W594 PolarHBondContact O-N 3.26Å; Q591-W594 VanDerWaalsContact O-CD1 3.32Å; W594-A597 PolarHBondContact O-N 2.75Å; W594-T598 WeakPolarHBondContact O-CB 3.41Å; W594-T598 PolarHBondContact O-N 2.67Å; W594-T598 PolarHBondContact O-OG1 3.06Å
595	Q	70.4	Confident	76.7	Confident	88 Å²	88	77.3 Å²	77.3	41%	0.411	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-47.1	176	-64.9	178.7	-12.3	0	0	111.8	N593 T598 S599	N593-Q595 PolarHBondContact O-N 3.42Å; N593-Q595 VanDerWaalsContact O-N 3.1Å; Q595-T598 PolarHBondContact O-N 3.29Å; Q595-S599 WeakPolarHBondContact O-CB 3.23Å; Q595-S599 PolarHBondContact O-N 2.71Å
596	F	73	Confident	77	Confident	134 Å²	134	74 Å²	74	59%	0.588	38%	0.376	S	S	*	.	H	α-helix	trans	-66.6	-40.2	177	-65.4	-73.4	0	0	0	111.7	F463 N593 S599 G600	F463-F596 HydrophobicContact CZ-CZ 4.12Å; N593-F596 HydrophobicContact CB-CD2 4.39Å; N593-F596 PolarHBondContact O-N 2.75Å; F596-S599 PolarHBondContact O-N 2.96Å; F596-G600 PolarHBondContact O-N 3.27Å
597	A	77.6	Confident	77.5	Confident	27 Å²	27	68.8 Å²	68.8	22%	0.223	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-46.4	175.9	0	0	0	0	0	112.1	F582 I590 N593 W594 T601	F582-A597 HydrophobicContact CD2-CB 4.27Å; F582-A597 HydrophobicContact CG-CB 4.48Å; I590-A597 HydrophobicContact CG2-CB 4.33Å; N593-A597 PolarHBondContact O-N 2.89Å; W594-A597 PolarHBondContact O-N 2.75Å; A597-T601 WeakPolarHBondContact O-CB 3.48Å; A597-T601 WeakPolarHBondContact O-CG2 3.19Å; A597-T601 PolarHBondContact O-N 3.31Å; A597-T601 PolarHBondContact O-OG1 3.41Å
598	T	78.6	Confident	77.8	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-61.9	-48.3	175.9	-51.6	0	0	0	0	111.1	R575 A578 M579 W594 Q595 T601 G602	R575-T598 HydrophobicContact CB-CG2 4.38Å; A578-T598 HydrophobicContact CB-CG2 3.98Å; M579-T598 HydrophobicContact CB-CG2 4.41Å; M579-T598 HydrophobicContact CG-CG2 3.41Å; M579-T598 VanDerWaalsContact CG-CG2 3.41Å; W594-T598 WeakPolarHBondContact O-CB 3.41Å; W594-T598 PolarHBondContact O-N 2.67Å; W594-T598 PolarHBondContact O-OG1 3.06Å; Q595-T598 PolarHBondContact O-N 3.29Å; T598-T601 PolarHBondContact O-OG1 3.43Å; T598-T601 VanDerWaalsContact O-OG1 3.14Å; T598-G602 PolarHBondContact O-N 3.43Å
599	S	75.8	Confident	78.3	Confident	30 Å²	30	64.9 Å²	64.9	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-46.3	-175.7	-160.3	0	0	0	0	111.5	R575 Q595 F596 G602 V603	R575-S599 PolarHBondContact NH2-OG 2.98Å; R575-S599 VanDerWaalsContact NH2-OG 3.11Å; Q595-S599 WeakPolarHBondContact O-CB 3.23Å; Q595-S599 PolarHBondContact O-N 2.71Å; F596-S599 PolarHBondContact O-N 2.96Å; S599-G602 PolarHBondContact O-N 3.48Å; S599-V603 WeakPolarHBondContact O-CB 3.38Å; S599-V603 VanDerWaalsContact O-CG2 3.3Å; S599-V603 WeakPolarHBondContact O-CG2 3.29Å; S599-V603 PolarHBondContact O-N 2.86Å
600	G	77.4	Confident	78.6	Confident	34 Å²	34	59.1 Å²	59.1	35%	0.351	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-44.7	177.5	0	0	0	0	0	113.5	F596 V603 C604	F596-G600 PolarHBondContact O-N 3.27Å; G600-V603 PolarHBondContact O-N 3.12Å; G600-C604 PolarHBondContact O-N 2.98Å; G600-C604 PolarHBondContact O-SG 3.5Å; G600-C604 VanDerWaalsContact O-SG 3.33Å
601	T	82.7	Confident	78.8	Confident	49 Å²	49	59.7 Å²	59.7	30%	0.301	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-42.6	177	51.1	0	0	0	0	112.1	F582 A597 T598 V603 C604 I605	F582-T601 HydrophobicContact CE2-CG2 4.42Å; F582-T601 HydrophobicContact CZ-CG2 4.34Å; A597-T601 WeakPolarHBondContact O-CB 3.48Å; A597-T601 WeakPolarHBondContact O-CG2 3.19Å; A597-T601 PolarHBondContact O-N 3.31Å; A597-T601 PolarHBondContact O-OG1 3.41Å; T598-T601 PolarHBondContact O-OG1 3.43Å; T598-T601 VanDerWaalsContact O-OG1 3.14Å; T601-V603 PolarHBondContact O-N 3.12Å; T601-C604 PolarHBondContact O-N 3.48Å; T601-I605 WeakPolarHBondContact O-CG1 3.07Å; T601-I605 PolarHBondContact O-N 3.42Å
602	G	82.1	Confident	79.5	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-41.5	174.7	0	0	0	0	0	113.1	T598 S599 I605 N606	T598-G602 PolarHBondContact O-N 3.43Å; S599-G602 PolarHBondContact O-N 3.48Å; G602-I605 PolarHBondContact O-N 3.23Å; G602-N606 VanDerWaalsContact O-CB 3.3Å; G602-N606 WeakPolarHBondContact O-CB 3.35Å; G602-N606 PolarHBondContact O-N 3.24Å
603	V	77	Confident	80.2	Confident	43 Å²	43	51 Å²	51	26%	0.261	28%	0.28	S	S	.	.	H	α-helix	trans	-60.7	-48.5	174.1	159.7	0	0	0	0	111.6	S599 G600 T601 I605 N606 F607 V700	S599-V603 WeakPolarHBondContact O-CB 3.38Å; S599-V603 VanDerWaalsContact O-CG2 3.3Å; S599-V603 WeakPolarHBondContact O-CG2 3.29Å; S599-V603 PolarHBondContact O-N 2.86Å; G600-V603 PolarHBondContact O-N 3.12Å; T601-V603 PolarHBondContact O-N 3.12Å; V603-I605 PolarHBondContact O-N 3.29Å; V603-N606 PolarHBondContact O-N 2.85Å; V603-F607 PolarHBondContact O-N 3.32Å; V603-V700 HydrophobicContact CG1-CG1 3.73Å
604	C	80.5	Confident	80.8	Confident	81 Å²	81	49.3 Å²	49.3	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-42.1	179.8	-71.2	0	0	0	0	112.2	G600 T601 F607 M608	G600-C604 PolarHBondContact O-N 2.98Å; G600-C604 PolarHBondContact O-SG 3.5Å; G600-C604 VanDerWaalsContact O-SG 3.33Å; T601-C604 PolarHBondContact O-N 3.48Å; C604-F607 PolarHBondContact O-N 3.47Å; C604-M608 WeakPolarHBondContact O-CG 3.4Å; C604-M608 PolarHBondContact O-N 3.17Å
605	I	85.3	Confident	81.3	Confident	66 Å²	66	51 Å²	51	34%	0.338	29%	0.288	S	S	.	.	H	α-helix	trans	-66.8	-42.8	177.1	-69.4	163.9	0	0	0	110.8	V571 F574 T601 G602 V603 F607 M608 M609	V571-I605 HydrophobicContact CG2-CG2 4.39Å; F574-I605 HydrophobicContact CD1-CD1 3.96Å; F574-I605 HydrophobicContact CD2-CD1 4.26Å; F574-I605 HydrophobicContact CE1-CD1 3.47Å; F574-I605 VanDerWaalsContact CE1-CD1 3.47Å; F574-I605 HydrophobicContact CE2-CD1 3.78Å; F574-I605 HydrophobicContact CG-CD1 4.35Å; F574-I605 HydrophobicContact CZ-CD1 3.37Å; T601-I605 WeakPolarHBondContact O-CG1 3.07Å; T601-I605 PolarHBondContact O-N 3.42Å; G602-I605 PolarHBondContact O-N 3.23Å; V603-I605 PolarHBondContact O-N 3.29Å; I605-F607 PolarHBondContact O-N 3.45Å; I605-M608 PolarHBondContact O-N 3.33Å; I605-M609 HydrophobicContact CG2-CG 4.5Å; I605-M609 WeakPolarHBondContact O-CB 3.29Å; I605-M609 WeakPolarHBondContact O-CG 3.35Å; I605-M609 PolarHBondContact O-N 3.27Å
606	N	82.6	Confident	82.2	Confident	18 Å²	18	50.8 Å²	50.8	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-57.8	-46.6	174.9	-168.9	45.8	0	0	0	111.5	V571 G602 V603 M609 I610 S655	V571-N606 HydrophobicContact CG1-CB 4.14Å; V571-N606 HydrophobicContact CG2-CB 4.49Å; G602-N606 VanDerWaalsContact O-CB 3.3Å; G602-N606 WeakPolarHBondContact O-CB 3.35Å; G602-N606 PolarHBondContact O-N 3.24Å; V603-N606 PolarHBondContact O-N 2.85Å; N606-M609 PolarHBondContact O-N 2.94Å; N606-I610 WeakPolarHBondContact O-CB 3.42Å; N606-I610 VanDerWaalsContact O-CG1 3.25Å; N606-I610 WeakPolarHBondContact O-CG1 3.33Å; N606-I610 PolarHBondContact O-N 3.44Å; N606-S655 PolarHBondContact ND2-OG 3.44Å; N606-S655 VanDerWaalsContact ND2-OG 3.16Å
607	F	80.5	Confident	83.1	Confident	49 Å²	49	44.4 Å²	44.4	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-46.9	177.2	-177	-97.6	0	0	0	112.4	V603 C604 I605 M609 I610 M611 K705 W708	V603-F607 PolarHBondContact O-N 3.32Å; C604-F607 PolarHBondContact O-N 3.47Å; I605-F607 PolarHBondContact O-N 3.45Å; F607-M609 VanDerWaalsContact C-N 3.32Å; F607-M609 PolarHBondContact O-N 3.49Å; F607-I610 PolarHBondContact O-N 3.02Å; F607-M611 HydrophobicContact CD1-CG 4.24Å; F607-M611 HydrophobicContact CE1-CG 3.86Å; F607-M611 HydrophobicContact CE2-CG 4.23Å; F607-M611 HydrophobicContact CE2-SD 4.43Å; F607-M611 HydrophobicContact CZ-CG 3.85Å; F607-M611 HydrophobicContact CZ-SD 4.24Å; F607-M611 WeakPolarHBondContact O-CG 3.48Å; F607-M611 PolarHBondContact O-N 3.04Å; F607-K705 HydrophobicContact CE2-CB 4.1Å; F607-K705 HydrophobicContact CE2-CG 4.33Å; F607-W708 HydrophobicContact CZ-CB 4.13Å; F607-W708 HydrophobicContact CZ-CD2 4.44Å; F607-W708 AromaticContact CZ-CG 3.95Å; F607-W708 HydrophobicContact CZ-CG 3.95Å
608	M	84.4	Confident	83.6	Confident	122 Å²	122	45 Å²	45	60%	0.601	26%	0.262	S	S	*	.	H	α-helix	trans	-61.8	-38.2	177.5	-72.5	-59.4	-71.1	0	0	112.7	C604 I605 S612	C604-M608 WeakPolarHBondContact O-CG 3.4Å; C604-M608 PolarHBondContact O-N 3.17Å; I605-M608 PolarHBondContact O-N 3.33Å; M608-S612 WeakPolarHBondContact O-CB 3.33Å; M608-S612 PolarHBondContact O-N 2.92Å; M608-S612 VanDerWaalsContact O-N 3.09Å; M608-S612 PolarHBondContact O-OG 2.96Å
609	M	85.4	Confident	84.1	Confident	77 Å²	77	50.4 Å²	50.4	38%	0.379	29%	0.285	S	S	.	.	H	α-helix	trans	-66.5	-49.5	174.4	-74.2	-61.6	-64.6	0	0	111.6	A567 I605 N606 F607 M611 S612 L613	A567-M609 HydrophobicContact CB-CE 3.97Å; I605-M609 HydrophobicContact CG2-CG 4.5Å; I605-M609 WeakPolarHBondContact O-CB 3.29Å; I605-M609 WeakPolarHBondContact O-CG 3.35Å; I605-M609 PolarHBondContact O-N 3.27Å; N606-M609 PolarHBondContact O-N 2.94Å; F607-M609 VanDerWaalsContact C-N 3.32Å; F607-M609 PolarHBondContact O-N 3.49Å; M609-M611 VanDerWaalsContact C-N 3.33Å; M609-M611 PolarHBondContact O-N 3.23Å; M609-S612 PolarHBondContact O-N 3.48Å; M609-L613 HydrophobicContact CE-CD1 4.4Å; M609-L613 WeakPolarHBondContact O-CB 3.18Å; M609-L613 VanDerWaalsContact O-CG 3.29Å; M609-L613 WeakPolarHBondContact O-CG 3.47Å; M609-L613 PolarHBondContact O-N 3.48Å
610	I	84.2	Confident	84.8	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.056	29%	0.288	C	S	.	.	H	α-helix	trans	-55	-49	178.3	-72.9	167.1	0	0	0	110.6	N606 F607 L613 N614 N651	N606-I610 WeakPolarHBondContact O-CB 3.42Å; N606-I610 VanDerWaalsContact O-CG1 3.25Å; N606-I610 WeakPolarHBondContact O-CG1 3.33Å; N606-I610 PolarHBondContact O-N 3.44Å; F607-I610 PolarHBondContact O-N 3.02Å; I610-L613 PolarHBondContact O-N 2.95Å; I610-N614 PolarHBondContact O-N 3.19Å; I610-N614 VanDerWaalsContact O-N 3.09Å; I610-N614 PolarHBondContact O-ND2 3.31Å; I610-N614 VanDerWaalsContact O-ND2 3.14Å; I610-N651 PolarHBondContact O-ND2 3.01Å; I610-N651 VanDerWaalsContact O-ND2 3.08Å
611	M	82.3	Confident	85.5	Confident	43 Å²	43	49.5 Å²	49.5	21%	0.212	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-42.8	179.5	-70.2	-53.3	-54.6	0	0	112.7	F607 M609	F607-M611 HydrophobicContact CD1-CG 4.24Å; F607-M611 HydrophobicContact CE1-CG 3.86Å; F607-M611 HydrophobicContact CE2-CG 4.23Å; F607-M611 HydrophobicContact CE2-SD 4.43Å; F607-M611 HydrophobicContact CZ-CG 3.85Å; F607-M611 HydrophobicContact CZ-SD 4.24Å; F607-M611 WeakPolarHBondContact O-CG 3.48Å; F607-M611 PolarHBondContact O-N 3.04Å; M609-M611 VanDerWaalsContact C-N 3.33Å; M609-M611 PolarHBondContact O-N 3.23Å
612	S	86.5	Confident	85.9	Confident	67 Å²	67	51.9 Å²	51.9	47%	0.469	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-43	178.8	-57.4	0	0	0	0	112.1	M608 M609 N614 V615 V616	M608-S612 WeakPolarHBondContact O-CB 3.33Å; M608-S612 PolarHBondContact O-N 2.92Å; M608-S612 VanDerWaalsContact O-N 3.09Å; M608-S612 PolarHBondContact O-OG 2.96Å; M609-S612 PolarHBondContact O-N 3.48Å; S612-N614 PolarHBondContact O-N 3.44Å; S612-V615 PolarHBondContact O-N 3.26Å; S612-V616 PolarHBondContact O-N 2.83Å
613	L	88.2	Confident	86.2	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-32.4	-179.4	-68.2	177.5	0	0	0	112.7	L563 V564 A567 M609 I610 V616 Y617 F647	L563-L613 HydrophobicContact CD2-CD1 4.3Å; L563-L613 HydrophobicContact CD2-CD2 3.54Å; V564-L613 HydrophobicContact CG2-CD1 4.28Å; A567-L613 HydrophobicContact CB-CD1 4.08Å; M609-L613 HydrophobicContact CE-CD1 4.4Å; M609-L613 WeakPolarHBondContact O-CB 3.18Å; M609-L613 VanDerWaalsContact O-CG 3.29Å; M609-L613 WeakPolarHBondContact O-CG 3.47Å; M609-L613 PolarHBondContact O-N 3.48Å; I610-L613 PolarHBondContact O-N 2.95Å; L613-V616 PolarHBondContact O-N 3.1Å; L613-Y617 WeakPolarHBondContact O-CB 3.28Å; L613-Y617 PolarHBondContact O-N 3.5Å; L613-F647 HydrophobicContact CB-CZ 4.14Å
614	N	86.7	Confident	86.9	Confident	18 Å²	18	55.6 Å²	55.6	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-59.5	-47.4	174.5	-73.5	-29.1	0	0	0	112.2	I610 S612 V616 Y617 E618 N651	I610-N614 PolarHBondContact O-N 3.19Å; I610-N614 VanDerWaalsContact O-N 3.09Å; I610-N614 PolarHBondContact O-ND2 3.31Å; I610-N614 VanDerWaalsContact O-ND2 3.14Å; S612-N614 PolarHBondContact O-N 3.44Å; N614-V616 VanDerWaalsContact C-N 3.33Å; N614-V616 PolarHBondContact O-N 3.43Å; N614-Y617 PolarHBondContact O-N 3.48Å; N614-E618 PolarHBondContact O-N 3.07Å; N614-N651 PolarHBondContact OD1-ND2 2.97Å
615	V	86.4	Confident	87.4	Confident	88 Å²	88	51.8 Å²	51.8	53%	0.533	27%	0.267	S	S	.	.	H	α-helix	trans	-65	-37.3	-178.8	178.6	0	0	0	0	111.7	S612	S612-V615 PolarHBondContact O-N 3.26Å
616	V	89.9	Confident	87.6	Confident	83 Å²	83	50.2 Å²	50.2	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-46.6	174.7	176.4	0	0	0	0	110.7	M560 S612 L613 N614 E618 K619 V620	M560-V616 HydrophobicContact CE-CG1 4.38Å; S612-V616 PolarHBondContact O-N 2.83Å; L613-V616 PolarHBondContact O-N 3.1Å; N614-V616 VanDerWaalsContact C-N 3.33Å; N614-V616 PolarHBondContact O-N 3.43Å; V616-E618 PolarHBondContact O-N 2.87Å; V616-K619 PolarHBondContact O-N 3.42Å; V616-V620 WeakPolarHBondContact O-CG2 3.41Å; V616-V620 PolarHBondContact O-N 2.96Å
617	Y	90.3	Very high	87.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.8	-37.6	-177.2	-172.7	-94.4	0	0	0	113.1	M560 L613 N614 K619 V620 A621 K643 M644 F647	M560-Y617 HydrophobicContact CB-CD2 3.71Å; M560-Y617 HydrophobicContact CB-CE2 3.69Å; M560-Y617 HydrophobicContact CE-CD2 3.92Å; M560-Y617 HydrophobicContact CG-CD2 3.74Å; M560-Y617 HydrophobicContact CG-CE2 3.84Å; L613-Y617 WeakPolarHBondContact O-CB 3.28Å; L613-Y617 PolarHBondContact O-N 3.5Å; N614-Y617 PolarHBondContact O-N 3.48Å; Y617-K619 VanDerWaalsContact C-N 3.26Å; Y617-K619 PolarHBondContact O-N 2.67Å; Y617-V620 CarbonylContact O-C 3.59Å; Y617-V620 PolarHBondContact O-N 3.44Å; Y617-A621 HydrophobicContact CD1-CB 4.09Å; Y617-A621 HydrophobicContact CE1-CB 3.64Å; Y617-A621 WeakPolarHBondContact O-CB 3.43Å; Y617-A621 PolarHBondContact O-N 3.27Å; Y617-K643 PolarHBondContact OH-O 3Å; Y617-M644 HydrophobicContact CD1-SD 3.73Å; Y617-M644 HydrophobicContact CE1-SD 3.87Å; Y617-F647 VanDerWaalsContact CB-CE1 3.4Å; Y617-F647 HydrophobicContact CD1-CB 3.55Å; Y617-F647 AromaticContact CD1-CD1 3.43Å; Y617-F647 HydrophobicContact CD1-CD1 3.43Å; Y617-F647 VanDerWaalsContact CD1-CD1 3.43Å; Y617-F647 HydrophobicContact CD1-CD2 4.11Å; Y617-F647 HydrophobicContact CD1-CE1 4.17Å; Y617-F647 AromaticContact CD1-CG 3.4Å; Y617-F647 HydrophobicContact CD1-CG 3.4Å; Y617-F647 VanDerWaalsContact CD1-CG 3.4Å; Y617-F647 HydrophobicContact CD2-CB 4.01Å; Y617-F647 HydrophobicContact CD2-CD1 4.07Å; Y617-F647 AromaticContact CD2-CD2 3.27Å; Y617-F647 HydrophobicContact CD2-CD2 3.27Å; Y617-F647 HydrophobicContact CD2-CE1 4.42Å; Y617-F647 AromaticContact CD2-CE2 3.66Å; Y617-F647 HydrophobicContact CD2-CE2 3.66Å; Y617-F647 AromaticContact CD2-CG 3.49Å; Y617-F647 HydrophobicContact CD2-CG 3.49Å; Y617-F647 VanDerWaalsContact CD2-CG 3.49Å; Y617-F647 HydrophobicContact CD2-CZ 4.23Å; Y617-F647 HydrophobicContact CE1-CB 3.29Å; Y617-F647 HydrophobicContact CE1-CD1 4.13Å; Y617-F647 HydrophobicContact CE1-CD2 4.42Å; Y617-F647 AromaticContact CE1-CG 3.71Å; Y617-F647 HydrophobicContact CE1-CG 3.71Å; Y617-F647 HydrophobicContact CE2-CB 3.78Å; Y617-F647 AromaticContact CE2-CD2 3.65Å; Y617-F647 HydrophobicContact CE2-CD2 3.65Å; Y617-F647 HydrophobicContact CE2-CE2 4.44Å; Y617-F647 AromaticContact CE2-CG 3.79Å; Y617-F647 HydrophobicContact CE2-CG 3.79Å; Y617-F647 HydrophobicContact CG-CB 3.9Å; Y617-F647 AromaticContact CG-CD1 3.4Å; Y617-F647 HydrophobicContact CG-CD1 3.4Å; Y617-F647 AromaticContact CG-CD2 3.53Å; Y617-F647 HydrophobicContact CG-CD2 3.53Å; Y617-F647 AromaticContact CG-CE1 3.74Å; Y617-F647 HydrophobicContact CG-CE1 3.74Å; Y617-F647 AromaticContact CG-CE2 3.83Å; Y617-F647 HydrophobicContact CG-CE2 3.83Å; Y617-F647 AromaticContact CG-CG 3.29Å; Y617-F647 HydrophobicContact CG-CG 3.29Å; Y617-F647 AromaticContact CG-CZ 3.93Å; Y617-F647 HydrophobicContact CG-CZ 3.93Å; Y617-F647 VanDerWaalsContact CZ-CB 3.42Å; Y617-F647 AromaticContact CZ-CG 3.89Å
618	E	88.4	Confident	88.3	Confident	40 Å²	40	51.7 Å²	51.7	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-50	-46.6	175.9	-169	-145.2	136.4	0	0	111.9	N614 V616 Y622 M644 H762	N614-E618 PolarHBondContact O-N 3.07Å; V616-E618 PolarHBondContact O-N 2.87Å; E618-Y622 PolarHBondContact O-N 2.99Å; E618-Y622 VanDerWaalsContact O-N 3.08Å; E618-M644 HydrophobicContact CB-CE 4.16Å; E618-M644 HydrophobicContact CG-CE 4.14Å; E618-H762 IonicContact OE1-CD2 3.82Å; E618-H762 PolarHBondContact OE1-CD2 3Å; E618-H762 IonicContact OE1-NE2 2.66Å; E618-H762 PolarHBondContact OE1-NE2 2.78Å
619	K	89.3	Confident	88.4	Confident	117 Å²	117	48.3 Å²	48.3	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-73.3	-34.1	179.8	-49	-50.5	172.1	-168.7	0	112.3	V616 Y617 L623	V616-K619 PolarHBondContact O-N 3.42Å; Y617-K619 VanDerWaalsContact C-N 3.26Å; Y617-K619 PolarHBondContact O-N 2.67Å; K619-L623 WeakPolarHBondContact O-CB 3.35Å; K619-L623 PolarHBondContact O-N 3.05Å; K619-L623 VanDerWaalsContact O-N 3.1Å
620	V	91.6	Very high	88.5	Confident	44 Å²	44	45.2 Å²	45.2	27%	0.267	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-46.9	173.3	174.2	0	0	0	0	110.8	M560 V616 Y617 Y622 L623 L624	M560-V620 HydrophobicContact CG-CG1 4.38Å; V616-V620 WeakPolarHBondContact O-CG2 3.41Å; V616-V620 PolarHBondContact O-N 2.96Å; Y617-V620 CarbonylContact O-C 3.59Å; Y617-V620 PolarHBondContact O-N 3.44Å; V620-Y622 VanDerWaalsContact C-N 3.34Å; V620-Y622 PolarHBondContact O-N 2.92Å; V620-L623 PolarHBondContact O-N 2.95Å; V620-L624 HydrophobicContact CG1-CD1 3.87Å; V620-L624 HydrophobicContact CG1-CG 4.14Å; V620-L624 WeakPolarHBondContact O-CB 3.46Å; V620-L624 VanDerWaalsContact O-CG 3.31Å; V620-L624 WeakPolarHBondContact O-CG 3.26Å; V620-L624 PolarHBondContact O-N 3.29Å
621	A	91.8	Very high	88.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-39.9	178.6	0	0	0	0	0	112.4	Y617 L624 T625 F640 K643 M644	Y617-A621 HydrophobicContact CD1-CB 4.09Å; Y617-A621 HydrophobicContact CE1-CB 3.64Å; Y617-A621 WeakPolarHBondContact O-CB 3.43Å; Y617-A621 PolarHBondContact O-N 3.27Å; A621-L624 PolarHBondContact O-N 3.09Å; A621-T625 WeakPolarHBondContact O-CB 2.98Å; A621-T625 PolarHBondContact O-N 2.84Å; A621-T625 PolarHBondContact O-OG1 3.17Å; A621-F640 HydrophobicContact CB-CD2 4.12Å; A621-F640 HydrophobicContact CB-CE2 3.79Å; A621-K643 HydrophobicContact CB-CB 4.4Å; A621-M644 HydrophobicContact CB-CG 4.3Å; A621-M644 HydrophobicContact CB-SD 3.67Å
622	Y	89.5	Confident	88.7	Confident	100 Å²	100	47.5 Å²	47.5	39%	0.392	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-45.3	173	179.7	-106	0	0	0	111.8	E618 V620 N626 W636 H762	E618-Y622 PolarHBondContact O-N 2.99Å; E618-Y622 VanDerWaalsContact O-N 3.08Å; V620-Y622 VanDerWaalsContact C-N 3.34Å; V620-Y622 PolarHBondContact O-N 2.92Å; Y622-N626 VanDerWaalsContact CE1-ND2 3.31Å; Y622-N626 WeakPolarHBondContact CE1-ND2 3.49Å; Y622-N626 VanDerWaalsContact CE2-ND2 3.3Å; Y622-N626 WeakPolarHBondContact CE2-ND2 3.38Å; Y622-N626 WeakPolarHBondContact O-CB 3.43Å; Y622-N626 VanDerWaalsContact O-CG 3.3Å; Y622-N626 PolarHBondContact O-N 2.8Å; Y622-N626 VanDerWaalsContact O-N 3.12Å; Y622-N626 PolarHBondContact O-ND2 2.82Å; Y622-W636 HydrophobicContact CD2-CH2 4.23Å; Y622-W636 AromaticContact CD2-CZ2 3.68Å; Y622-W636 HydrophobicContact CD2-CZ2 3.68Å; Y622-W636 HydrophobicContact CE2-CH2 4.22Å; Y622-W636 AromaticContact CE2-CZ2 3.7Å; Y622-W636 HydrophobicContact CE2-CZ2 3.7Å; Y622-H762 AromaticContact CD2-CE1 3.56Å
623	L	89.9	Confident	88.5	Confident	106 Å²	106	47.4 Å²	47.4	56%	0.555	24%	0.236	S	C	*	.	H	α-helix	trans	-63	-48.7	176.5	-179.7	60.9	0	0	0	111.8	K619 V620 T625 N626 L627	K619-L623 WeakPolarHBondContact O-CB 3.35Å; K619-L623 PolarHBondContact O-N 3.05Å; K619-L623 VanDerWaalsContact O-N 3.1Å; V620-L623 PolarHBondContact O-N 2.95Å; L623-T625 PolarHBondContact O-N 2.9Å; L623-N626 PolarHBondContact O-N 2.78Å; L623-L627 HydrophobicContact CD1-CD1 4.42Å; L623-L627 HydrophobicContact CG-CD1 4.17Å; L623-L627 WeakPolarHBondContact O-CG 3.42Å; L623-L627 PolarHBondContact O-N 2.69Å
624	L	91.4	Very high	88.3	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-45.3	179.6	-69.2	179.5	0	0	0	112.2	V620 A621 N626 L627 E628	V620-L624 HydrophobicContact CG1-CD1 3.87Å; V620-L624 HydrophobicContact CG1-CG 4.14Å; V620-L624 WeakPolarHBondContact O-CB 3.46Å; V620-L624 VanDerWaalsContact O-CG 3.31Å; V620-L624 WeakPolarHBondContact O-CG 3.26Å; V620-L624 PolarHBondContact O-N 3.29Å; A621-L624 PolarHBondContact O-N 3.09Å; L624-N626 VanDerWaalsContact C-N 3.33Å; L624-N626 PolarHBondContact O-N 3.39Å; L624-L627 WeakPolarHBondContact O-CB 3.45Å; L624-L627 PolarHBondContact O-N 3.02Å; L624-L627 VanDerWaalsContact O-N 3.12Å; L624-E628 PolarHBondContact O-N 2.82Å
625	T	91.6	Very high	88.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.2	-33.1	-179.9	-43.2	0	0	0	0	112.1	A621 L623 L627 E628 W636 F640 K643	A621-T625 WeakPolarHBondContact O-CB 2.98Å; A621-T625 PolarHBondContact O-N 2.84Å; A621-T625 PolarHBondContact O-OG1 3.17Å; L623-T625 PolarHBondContact O-N 2.9Å; T625-L627 VanDerWaalsContact C-N 3.35Å; T625-E628 PolarHBondContact O-N 3.35Å; T625-W636 HydrophobicContact CG2-CG 4.21Å; T625-F640 HydrophobicContact CG2-CB 4.1Å; T625-K643 VanDerWaalsContact OG1-CD 3.29Å; T625-K643 WeakPolarHBondContact OG1-CD 3.38Å
626	N	88.5	Confident	88.3	Confident	33 Å²	33	46.7 Å²	46.7	18%	0.176	23%	0.228	C	C	.	.	H	α-helix	trans	-72.4	-27.4	172.6	-70.3	-35.4	0	0	0	112.7	R517 Y622 L623 L624 E628 H629 W636	R517-N626 PolarHBondContact NH1-OD1 2.82Å; Y622-N626 VanDerWaalsContact CE1-ND2 3.31Å; Y622-N626 WeakPolarHBondContact CE1-ND2 3.49Å; Y622-N626 VanDerWaalsContact CE2-ND2 3.3Å; Y622-N626 WeakPolarHBondContact CE2-ND2 3.38Å; Y622-N626 WeakPolarHBondContact O-CB 3.43Å; Y622-N626 VanDerWaalsContact O-CG 3.3Å; Y622-N626 PolarHBondContact O-N 2.8Å; Y622-N626 VanDerWaalsContact O-N 3.12Å; Y622-N626 PolarHBondContact O-ND2 2.82Å; L623-N626 PolarHBondContact O-N 2.78Å; L624-N626 VanDerWaalsContact C-N 3.33Å; L624-N626 PolarHBondContact O-N 3.39Å; N626-E628 VanDerWaalsContact C-N 3.34Å; N626-H629 PolarHBondContact O-CE1 2.8Å; N626-H629 PolarHBondContact O-N 3.39Å; N626-H629 PolarHBondContact O-ND1 3.5Å; N626-W636 PolarHBondContact OD1-NE1 2.76Å
627	L	88.9	Confident	88.2	Confident	79 Å²	79	45.2 Å²	45.2	41%	0.414	22%	0.216	S	C	.	.	H	α-helix	trans	-69.6	-28.1	173.1	-73.5	167.6	0	0	0	113	R549 L623 L624 T625 H629	R549-L627 WeakPolarHBondContact CD-O 3.49Å; L623-L627 HydrophobicContact CD1-CD1 4.42Å; L623-L627 HydrophobicContact CG-CD1 4.17Å; L623-L627 WeakPolarHBondContact O-CG 3.42Å; L623-L627 PolarHBondContact O-N 2.69Å; L624-L627 WeakPolarHBondContact O-CB 3.45Å; L624-L627 PolarHBondContact O-N 3.02Å; L624-L627 VanDerWaalsContact O-N 3.12Å; T625-L627 VanDerWaalsContact C-N 3.35Å; L627-H629 PolarHBondContact O-CE1 3.12Å; L627-H629 PolarHBondContact O-ND1 2.97Å
628	E	88.6	Confident	88.2	Confident	20 Å²	20	47.7 Å²	47.7	9%	0.093	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-33.3	175.5	-69.1	173.4	157.2	0	0	113.2	Q541 S553 L624 T625 N626 S639 K643	Q541-E628 PolarHBondContact NE2-O 3.16Å; S553-E628 VanDerWaalsContact CB-OE1 3.31Å; S553-E628 WeakPolarHBondContact CB-OE1 3.29Å; S553-E628 PolarHBondContact OG-OE1 3.33Å; L624-E628 PolarHBondContact O-N 2.82Å; T625-E628 PolarHBondContact O-N 3.35Å; N626-E628 VanDerWaalsContact C-N 3.34Å; E628-S639 PolarHBondContact OE2-OG 2.94Å; E628-K643 WeakPolarHBondContact OE1-CE 3.39Å; E628-K643 IonicContact OE1-NZ 3.92Å; E628-K643 PolarHBondContact OE1-NZ 3.4Å; E628-K643 IonicContact OE2-NZ 2.73Å; E628-K643 PolarHBondContact OE2-NZ 2.95Å
629	H	87.1	Confident	88.3	Confident	51 Å²	51	47.1 Å²	47.1	24%	0.236	23%	0.23	C	C	.	.			trans	54.4	65.6	-172.1	-57.1	67.4	0	0	0	113.5	F520 K523 Y524 N626 L627	F520-H629 WeakPolarHBondContact CD2-O 3.43Å; K523-H629 WeakPolarHBondContact CD-CD2 3.3Å; K523-H629 PolarHBondContact NZ-CD2 3.16Å; K523-H629 VanDerWaalsContact NZ-CD2 3.3Å; K523-H629 PolarHBondContact NZ-CE1 3.02Å; K523-H629 VanDerWaalsContact NZ-CG 3.27Å; K523-H629 PolarHBondContact NZ-ND1 2.78Å; K523-H629 PolarHBondContact NZ-NE2 3.43Å; Y524-H629 HydrophobicContact CE2-CB 4.44Å; N626-H629 PolarHBondContact O-CE1 2.8Å; N626-H629 PolarHBondContact O-N 3.39Å; N626-H629 PolarHBondContact O-ND1 3.5Å; L627-H629 PolarHBondContact O-CE1 3.12Å; L627-H629 PolarHBondContact O-ND1 2.97Å
630	P	87.5	Confident	88.4	Confident	11 Å²	11	41.6 Å²	41.6	7%	0.071	21%	0.205	C	C	.	.			trans	-61.2	157.4	172.3	25.4	-34	0	0	0	113.1	F520 E635 W636	F520-P630 WeakPolarHBondContact CD2-O 3.44Å; P630-E635 HydrophobicContact CB-CB 3.68Å; P630-W636 HydrophobicContact CB-CB 4.32Å; P630-W636 HydrophobicContact CG-CB 3.55Å; P630-W636 HydrophobicContact CG-CG 3.98Å
631	R	84.3	Confident	88.4	Confident	94 Å²	94	39.6 Å²	39.6	36%	0.355	19%	0.193	S	C	.	.	S	Bend	trans	-73.3	-45.9	-175.1	179.2	-174.9	161.5	125.1	5.1	112.3	L516 R517 F520 E538 E635	L516-R631 HydrophobicContact CD2-CG 3.45Å; L516-R631 VanDerWaalsContact CD2-CG 3.45Å; R517-R631 PolarHBondContact N-O 3.31Å; F520-R631 HydrophobicContact CE1-CG 4.29Å; F520-R631 HydrophobicContact CE2-CB 4.37Å; F520-R631 HydrophobicContact CZ-CB 4.36Å; F520-R631 HydrophobicContact CZ-CG 4.49Å; E538-R631 IonicContact OE2-CZ 3.65Å; E538-R631 IonicContact OE2-NH1 2.68Å; E538-R631 PolarHBondContact OE2-NH1 3.32Å; E538-R631 IonicContact OE2-NH2 2.79Å; E538-R631 PolarHBondContact OE2-NH2 2.82Å; R631-E635 WeakPolarHBondContact CB-OE2 3.31Å; R631-E635 PolarHBondContact N-OE2 2.79Å
632	T	85.3	Confident	88.4	Confident	9 Å²	9	43 Å²	43	6%	0.055	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-121.1	173	-173.6	64.2	0	0	0	0	111.5	E514 S634 E635 W636	E514-T632 HydrophobicContact CG-CG2 3.93Å; E514-T632 WeakPolarHBondContact OE1-CB 3.4Å; E514-T632 VanDerWaalsContact OE2-CB 3.3Å; E514-T632 WeakPolarHBondContact OE2-CB 3.25Å; E514-T632 WeakPolarHBondContact OE2-CG2 3.16Å; E514-T632 PolarHBondContact OE2-OG1 2.97Å; E514-T632 VanDerWaalsContact OE2-OG1 3.1Å; T632-S634 PolarHBondContact OG1-OG 3.2Å; T632-E635 PolarHBondContact OG1-N 3.2Å; T632-E635 VanDerWaalsContact OG1-N 3.14Å; T632-W636 PolarHBondContact O-N 2.93Å
633	E	82.6	Confident	88.5	Confident	65 Å²	65	38.7 Å²	38.7	30%	0.304	20%	0.195	S	C	.	.	H	α-helix	trans	-73.2	-32.8	171.4	-65.8	-68.4	173.2	0	0	111.3	R517 W636 E637	R517-E633 WeakPolarHBondContact CG-OE1 3.44Å; R517-E633 IonicContact CZ-OE1 3.49Å; R517-E633 IonicContact CZ-OE2 2.68Å; R517-E633 VanDerWaalsContact CZ-OE2 3.25Å; R517-E633 IonicContact NE-OE1 2.69Å; R517-E633 PolarHBondContact NE-OE1 3.46Å; R517-E633 IonicContact NE-OE2 3.26Å; R517-E633 PolarHBondContact NE-OE2 3.33Å; R517-E633 IonicContact NH2-OE1 3.38Å; R517-E633 IonicContact NH2-OE2 2.68Å; R517-E633 PolarHBondContact NH2-OE2 3.5Å; E633-W636 PolarHBondContact O-N 3.44Å; E633-E637 PolarHBondContact O-N 2.86Å
634	S	83.8	Confident	88.5	Confident	31 Å²	31	33.8 Å²	33.8	22%	0.217	17%	0.169	C	C	.	.	H	α-helix	trans	-62.1	-45.7	173.2	73.1	0	0	0	0	112.6	E514 T632 W636 E637 N638	E514-S634 VanDerWaalsContact CD-OG 3.24Å; E514-S634 WeakPolarHBondContact OE1-CB 3.3Å; E514-S634 PolarHBondContact OE1-N 3.3Å; E514-S634 PolarHBondContact OE1-OG 3.09Å; E514-S634 VanDerWaalsContact OE1-OG 3.11Å; E514-S634 WeakPolarHBondContact OE2-CB 3.29Å; E514-S634 PolarHBondContact OE2-OG 3.42Å; T632-S634 PolarHBondContact OG1-OG 3.2Å; S634-W636 VanDerWaalsContact C-N 3.27Å; S634-W636 PolarHBondContact O-N 2.63Å; S634-E637 PolarHBondContact O-N 3Å; S634-N638 VanDerWaalsContact O-CB 3.25Å; S634-N638 WeakPolarHBondContact O-CB 3.3Å; S634-N638 VanDerWaalsContact O-CG 3.3Å; S634-N638 PolarHBondContact O-N 2.79Å; S634-N638 PolarHBondContact O-ND2 2.77Å
635	E	85.7	Confident	88.5	Confident	71 Å²	71	34 Å²	34	33%	0.332	17%	0.169	S	C	.	.	H	α-helix	trans	-58.8	-40.9	174.5	-84	-162.4	157.4	0	0	110.9	K546 P630 R631 T632 S639	K546-E635 IonicContact NZ-OE1 3.86Å; P630-E635 HydrophobicContact CB-CB 3.68Å; R631-E635 WeakPolarHBondContact CB-OE2 3.31Å; R631-E635 PolarHBondContact N-OE2 2.79Å; T632-E635 PolarHBondContact OG1-N 3.2Å; T632-E635 VanDerWaalsContact OG1-N 3.14Å; E635-S639 WeakPolarHBondContact O-CB 3.44Å; E635-S639 PolarHBondContact O-N 3.41Å
636	W	88.6	Confident	88.5	Confident	10 Å²	10	37.3 Å²	37.3	4%	0.038	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-49.2	179.4	-175.4	87.6	0	0	0	112.3	Y622 T625 N626 P630 T632 E633 S634 S639 F640	Y622-W636 HydrophobicContact CD2-CH2 4.23Å; Y622-W636 AromaticContact CD2-CZ2 3.68Å; Y622-W636 HydrophobicContact CD2-CZ2 3.68Å; Y622-W636 HydrophobicContact CE2-CH2 4.22Å; Y622-W636 AromaticContact CE2-CZ2 3.7Å; Y622-W636 HydrophobicContact CE2-CZ2 3.7Å; T625-W636 HydrophobicContact CG2-CG 4.21Å; N626-W636 PolarHBondContact OD1-NE1 2.76Å; P630-W636 HydrophobicContact CB-CB 4.32Å; P630-W636 HydrophobicContact CG-CB 3.55Å; P630-W636 HydrophobicContact CG-CG 3.98Å; T632-W636 PolarHBondContact O-N 2.93Å; E633-W636 PolarHBondContact O-N 3.44Å; S634-W636 VanDerWaalsContact C-N 3.27Å; S634-W636 PolarHBondContact O-N 2.63Å; W636-S639 PolarHBondContact O-N 2.8Å; W636-F640 VanDerWaalsContact O-CB 3.29Å; W636-F640 WeakPolarHBondContact O-CB 3.43Å; W636-F640 PolarHBondContact O-N 3.31Å
637	E	87.8	Confident	88.6	Confident	51 Å²	51	35.9 Å²	35.9	24%	0.238	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-43.6	178.9	-73.7	-171.8	178.2	0	0	111.9	K394 E633 S634 S639 F640 A641	K394-E637 WeakPolarHBondContact CE-OE2 3.48Å; K394-E637 IonicContact NZ-OE1 2.8Å; K394-E637 PolarHBondContact NZ-OE1 2.95Å; K394-E637 IonicContact NZ-OE2 2.79Å; K394-E637 PolarHBondContact NZ-OE2 3.23Å; E633-E637 PolarHBondContact O-N 2.86Å; S634-E637 PolarHBondContact O-N 3Å; E637-S639 PolarHBondContact O-N 3.14Å; E637-F640 PolarHBondContact O-N 3.05Å; E637-A641 WeakPolarHBondContact O-CB 3.46Å; E637-A641 PolarHBondContact O-N 2.75Å
638	N	89.9	Confident	88.6	Confident	52 Å²	52	33.5 Å²	33.5	28%	0.278	17%	0.165	S	C	.	.	H	α-helix	trans	-62.2	-42.5	176.7	-76.1	-43.3	0	0	0	111.5	S634 L642 I825	S634-N638 VanDerWaalsContact O-CB 3.25Å; S634-N638 WeakPolarHBondContact O-CB 3.3Å; S634-N638 VanDerWaalsContact O-CG 3.3Å; S634-N638 PolarHBondContact O-N 2.79Å; S634-N638 PolarHBondContact O-ND2 2.77Å; N638-L642 WeakPolarHBondContact O-CB 3.45Å; N638-L642 PolarHBondContact O-N 3.38Å; N638-I825 HydrophobicContact CB-CB 4.23Å; N638-I825 HydrophobicContact CB-CG2 4.3Å; N638-I825 WeakPolarHBondContact OD1-CB 3.44Å; N638-I825 WeakPolarHBondContact OD1-CG2 3.39Å; N638-I825 PolarHBondContact OD1-N 3.25Å
639	S	90.9	Very high	88.7	Confident	29 Å²	29	33.8 Å²	33.8	20%	0.203	17%	0.167	C	C	.	.	H	α-helix	trans	-68.4	-37.5	178.3	-170	0	0	0	0	112.7	E628 E635 W636 E637 K643	E628-S639 PolarHBondContact OE2-OG 2.94Å; E635-S639 WeakPolarHBondContact O-CB 3.44Å; E635-S639 PolarHBondContact O-N 3.41Å; W636-S639 PolarHBondContact O-N 2.8Å; E637-S639 PolarHBondContact O-N 3.14Å; S639-K643 WeakPolarHBondContact O-CD 3.46Å; S639-K643 VanDerWaalsContact O-CG 3.3Å; S639-K643 WeakPolarHBondContact O-CG 3.29Å; S639-K643 PolarHBondContact O-N 3Å; S639-K643 PolarHBondContact O-NZ 2.92Å; S639-K643 PolarHBondContact OG-NZ 3.14Å
640	F	91.4	Very high	88.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.5	-46.3	175	177	-103.7	0	0	0	111.9	A621 T625 W636 E637 L642 K643 M644 H762 V765	A621-F640 HydrophobicContact CB-CD2 4.12Å; A621-F640 HydrophobicContact CB-CE2 3.79Å; T625-F640 HydrophobicContact CG2-CB 4.1Å; W636-F640 VanDerWaalsContact O-CB 3.29Å; W636-F640 WeakPolarHBondContact O-CB 3.43Å; W636-F640 PolarHBondContact O-N 3.31Å; E637-F640 PolarHBondContact O-N 3.05Å; F640-L642 PolarHBondContact O-N 3.47Å; F640-K643 WeakPolarHBondContact O-CB 3.5Å; F640-K643 PolarHBondContact O-N 3.41Å; F640-M644 HydrophobicContact CD1-CG 4.22Å; F640-M644 HydrophobicContact CD2-CG 4.31Å; F640-M644 HydrophobicContact CE1-CG 3.75Å; F640-M644 HydrophobicContact CE2-CG 3.88Å; F640-M644 HydrophobicContact CE2-SD 4.16Å; F640-M644 HydrophobicContact CG-CG 4.47Å; F640-M644 HydrophobicContact CZ-CE 4.49Å; F640-M644 HydrophobicContact CZ-CG 3.56Å; F640-M644 HydrophobicContact CZ-SD 3.96Å; F640-M644 WeakPolarHBondContact O-CG 3.41Å; F640-M644 PolarHBondContact O-N 2.7Å; F640-H762 HydrophobicContact CE1-CB 3.79Å; F640-H762 AromaticContact CE1-CG 3.74Å; F640-H762 AromaticContact CE1-ND1 3.45Å; F640-H762 WeakPolarHBondContact CE1-ND1 3.28Å; F640-H762 AromaticContact CE2-ND1 3.86Å; F640-H762 HydrophobicContact CZ-CB 4.25Å; F640-H762 AromaticContact CZ-CE1 3.79Å; F640-H762 AromaticContact CZ-CG 3.7Å; F640-H762 AromaticContact CZ-ND1 3.21Å; F640-H762 WeakPolarHBondContact CZ-ND1 3.33Å; F640-V765 HydrophobicContact CD1-CB 4.32Å; F640-V765 HydrophobicContact CD1-CG1 3.81Å; F640-V765 HydrophobicContact CD1-CG2 4.27Å; F640-V765 HydrophobicContact CE1-CB 4.26Å; F640-V765 HydrophobicContact CE1-CG1 3.79Å
641	A	91.1	Very high	88.8	Confident	2 Å²	2	32.6 Å²	32.6	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-41.5	179.2	0	0	0	0	0	112	E637 K643 M644 F645 V765 I825 W826	E637-A641 WeakPolarHBondContact O-CB 3.46Å; E637-A641 PolarHBondContact O-N 2.75Å; A641-K643 VanDerWaalsContact C-N 3.35Å; A641-K643 PolarHBondContact O-N 3.35Å; A641-M644 PolarHBondContact O-N 3.2Å; A641-F645 VanDerWaalsContact O-CB 3.26Å; A641-F645 WeakPolarHBondContact O-CB 3.26Å; A641-F645 PolarHBondContact O-N 3.38Å; A641-V765 HydrophobicContact CB-CG1 3.91Å; A641-V765 HydrophobicContact CB-CG2 4.39Å; A641-I825 HydrophobicContact CB-CG2 3.79Å; A641-W826 HydrophobicContact CB-CH2 4.26Å; A641-W826 HydrophobicContact CB-CZ2 3.78Å
642	L	91.1	Very high	88.9	Confident	72 Å²	72	28.3 Å²	28.3	38%	0.377	15%	0.146	S	C	.	.	H	α-helix	trans	-62.6	-39.8	175.9	-174.8	63.6	0	0	0	112.4	N638 F640 L646 I825 I829	N638-L642 WeakPolarHBondContact O-CB 3.45Å; N638-L642 PolarHBondContact O-N 3.38Å; F640-L642 PolarHBondContact O-N 3.47Å; L642-L646 HydrophobicContact CD1-CD1 4.47Å; L642-L646 HydrophobicContact CD1-CG 4.48Å; L642-L646 HydrophobicContact CG-CD1 4.22Å; L642-L646 WeakPolarHBondContact O-CB 3.36Å; L642-L646 VanDerWaalsContact O-CG 3.28Å; L642-L646 WeakPolarHBondContact O-CG 3.32Å; L642-L646 PolarHBondContact O-N 3.04Å; L642-I825 HydrophobicContact CB-CG1 4.43Å; L642-I825 HydrophobicContact CD1-CG1 4.39Å; L642-I829 HydrophobicContact CD1-CD1 4.43Å; L642-I829 HydrophobicContact CD1-CG1 4.42Å
643	K	91.8	Very high	89	Confident	9 Å²	9	27.9 Å²	27.9	4%	0.039	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-52	174.9	-72.8	167.6	177.5	73.2	0	111.6	S553 I557 Y617 A621 T625 E628 S639 F640 A641 F645 L646 F647	S553-K643 WeakPolarHBondContact OG-CE 3.44Å; I557-K643 HydrophobicContact CD1-CG 3.76Å; I557-K643 HydrophobicContact CG1-CG 4.2Å; Y617-K643 PolarHBondContact OH-O 3Å; A621-K643 HydrophobicContact CB-CB 4.4Å; T625-K643 VanDerWaalsContact OG1-CD 3.29Å; T625-K643 WeakPolarHBondContact OG1-CD 3.38Å; E628-K643 WeakPolarHBondContact OE1-CE 3.39Å; E628-K643 IonicContact OE1-NZ 3.92Å; E628-K643 PolarHBondContact OE1-NZ 3.4Å; E628-K643 IonicContact OE2-NZ 2.73Å; E628-K643 PolarHBondContact OE2-NZ 2.95Å; S639-K643 WeakPolarHBondContact O-CD 3.46Å; S639-K643 VanDerWaalsContact O-CG 3.3Å; S639-K643 WeakPolarHBondContact O-CG 3.29Å; S639-K643 PolarHBondContact O-N 3Å; S639-K643 PolarHBondContact O-NZ 2.92Å; S639-K643 PolarHBondContact OG-NZ 3.14Å; F640-K643 WeakPolarHBondContact O-CB 3.5Å; F640-K643 PolarHBondContact O-N 3.41Å; A641-K643 VanDerWaalsContact C-N 3.35Å; A641-K643 PolarHBondContact O-N 3.35Å; K643-F645 VanDerWaalsContact C-N 3.3Å; K643-F645 PolarHBondContact O-N 3.04Å; K643-L646 PolarHBondContact O-N 2.68Å; K643-F647 PolarHBondContact O-N 2.68Å; K643-F647 VanDerWaalsContact O-N 3.08Å
644	M	90.9	Very high	89.3	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.02	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-41.9	178.4	-70.3	-61.5	-72.7	0	0	111.7	Y617 E618 A621 F640 A641 Q648 L769	Y617-M644 HydrophobicContact CD1-SD 3.73Å; Y617-M644 HydrophobicContact CE1-SD 3.87Å; E618-M644 HydrophobicContact CB-CE 4.16Å; E618-M644 HydrophobicContact CG-CE 4.14Å; A621-M644 HydrophobicContact CB-CG 4.3Å; A621-M644 HydrophobicContact CB-SD 3.67Å; F640-M644 HydrophobicContact CD1-CG 4.22Å; F640-M644 HydrophobicContact CD2-CG 4.31Å; F640-M644 HydrophobicContact CE1-CG 3.75Å; F640-M644 HydrophobicContact CE2-CG 3.88Å; F640-M644 HydrophobicContact CE2-SD 4.16Å; F640-M644 HydrophobicContact CG-CG 4.47Å; F640-M644 HydrophobicContact CZ-CE 4.49Å; F640-M644 HydrophobicContact CZ-CG 3.56Å; F640-M644 HydrophobicContact CZ-SD 3.96Å; F640-M644 WeakPolarHBondContact O-CG 3.41Å; F640-M644 PolarHBondContact O-N 2.7Å; A641-M644 PolarHBondContact O-N 3.2Å; M644-Q648 WeakPolarHBondContact O-CB 3.06Å; M644-Q648 WeakPolarHBondContact O-CG 3.47Å; M644-Q648 PolarHBondContact O-N 3.29Å; M644-L769 HydrophobicContact CB-CD1 4.38Å; M644-L769 HydrophobicContact CB-CD2 3.94Å; M644-L769 HydrophobicContact CE-CD2 4.12Å
645	F	91.8	Very high	89.3	Confident	22 Å²	22	24.4 Å²	24.4	10%	0.096	13%	0.126	C	C	.	.	H	α-helix	trans	-59.5	-56.4	173.3	171.3	-105.2	0	0	0	112.1	A641 K643 F647 Q648 F649 L769 V773 W826 I829 I833	A641-F645 VanDerWaalsContact O-CB 3.26Å; A641-F645 WeakPolarHBondContact O-CB 3.26Å; A641-F645 PolarHBondContact O-N 3.38Å; K643-F645 VanDerWaalsContact C-N 3.3Å; K643-F645 PolarHBondContact O-N 3.04Å; F645-F647 VanDerWaalsContact C-N 3.28Å; F645-F647 PolarHBondContact O-N 2.98Å; F645-Q648 PolarHBondContact O-N 3.45Å; F645-F649 HydrophobicContact CE2-CB 4.1Å; F645-F649 HydrophobicContact CE2-CD2 4.02Å; F645-F649 HydrophobicContact CE2-CG 4.41Å; F645-F649 HydrophobicContact CZ-CB 4.1Å; F645-F649 AromaticContact CZ-CD2 3.84Å; F645-F649 HydrophobicContact CZ-CD2 3.84Å; F645-F649 HydrophobicContact CZ-CG 4.12Å; F645-F649 WeakPolarHBondContact O-CB 3.26Å; F645-F649 PolarHBondContact O-N 2.81Å; F645-L769 HydrophobicContact CB-CD1 4.34Å; F645-V773 HydrophobicContact CD2-CG2 3.61Å; F645-V773 HydrophobicContact CE2-CG2 3.97Å; F645-W826 HydrophobicContact CB-CZ3 4.21Å; F645-I829 HydrophobicContact CB-CD1 3.93Å; F645-I829 HydrophobicContact CD1-CD1 4.15Å; F645-I829 HydrophobicContact CD1-CG1 4.05Å; F645-I829 HydrophobicContact CD1-CG2 3.92Å; F645-I829 HydrophobicContact CD2-CG2 3.5Å; F645-I829 HydrophobicContact CE1-CG1 4.47Å; F645-I829 HydrophobicContact CE1-CG2 3.87Å; F645-I829 HydrophobicContact CE2-CG2 3.48Å; F645-I829 VanDerWaalsContact CE2-CG2 3.48Å; F645-I829 HydrophobicContact CG-CD1 3.94Å; F645-I829 HydrophobicContact CG-CG1 4.24Å; F645-I829 HydrophobicContact CG-CG2 3.75Å; F645-I829 HydrophobicContact CZ-CG2 3.67Å; F645-I833 HydrophobicContact CE2-CD1 3.87Å; F645-I833 HydrophobicContact CE2-CG1 4.24Å; F645-I833 HydrophobicContact CZ-CD1 4.16Å; F645-I833 HydrophobicContact CZ-CG1 4.04Å
646	L	91.5	Very high	89.4	Confident	69 Å²	69	21 Å²	21	36%	0.361	11%	0.111	S	C	.	.	H	α-helix	trans	-57.6	-41.3	-176.2	-74.9	170.5	0	0	0	112.2	L642 K643 V650	L642-L646 HydrophobicContact CD1-CD1 4.47Å; L642-L646 HydrophobicContact CD1-CG 4.48Å; L642-L646 HydrophobicContact CG-CD1 4.22Å; L642-L646 WeakPolarHBondContact O-CB 3.36Å; L642-L646 VanDerWaalsContact O-CG 3.28Å; L642-L646 WeakPolarHBondContact O-CG 3.32Å; L642-L646 PolarHBondContact O-N 3.04Å; K643-L646 PolarHBondContact O-N 2.68Å; L646-V650 WeakPolarHBondContact O-CG2 3.18Å; L646-V650 PolarHBondContact O-N 2.85Å
647	F	90.8	Very high	89.4	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-69.7	-52.6	176.3	175	-92	0	0	0	112.7	M560 V564 L613 Y617 K643 F645 F649 V650 N651	M560-F647 HydrophobicContact CB-CD2 4.08Å; M560-F647 HydrophobicContact CB-CE2 4.19Å; M560-F647 HydrophobicContact CE-CE2 4.37Å; V564-F647 HydrophobicContact CG2-CD2 4.2Å; V564-F647 HydrophobicContact CG2-CE2 3.39Å; V564-F647 HydrophobicContact CG2-CZ 3.77Å; L613-F647 HydrophobicContact CB-CZ 4.14Å; Y617-F647 VanDerWaalsContact CB-CE1 3.4Å; Y617-F647 HydrophobicContact CD1-CB 3.55Å; Y617-F647 AromaticContact CD1-CD1 3.43Å; Y617-F647 HydrophobicContact CD1-CD1 3.43Å; Y617-F647 VanDerWaalsContact CD1-CD1 3.43Å; Y617-F647 HydrophobicContact CD1-CD2 4.11Å; Y617-F647 HydrophobicContact CD1-CE1 4.17Å; Y617-F647 AromaticContact CD1-CG 3.4Å; Y617-F647 HydrophobicContact CD1-CG 3.4Å; Y617-F647 VanDerWaalsContact CD1-CG 3.4Å; Y617-F647 HydrophobicContact CD2-CB 4.01Å; Y617-F647 HydrophobicContact CD2-CD1 4.07Å; Y617-F647 AromaticContact CD2-CD2 3.27Å; Y617-F647 HydrophobicContact CD2-CD2 3.27Å; Y617-F647 HydrophobicContact CD2-CE1 4.42Å; Y617-F647 AromaticContact CD2-CE2 3.66Å; Y617-F647 HydrophobicContact CD2-CE2 3.66Å; Y617-F647 AromaticContact CD2-CG 3.49Å; Y617-F647 HydrophobicContact CD2-CG 3.49Å; Y617-F647 VanDerWaalsContact CD2-CG 3.49Å; Y617-F647 HydrophobicContact CD2-CZ 4.23Å; Y617-F647 HydrophobicContact CE1-CB 3.29Å; Y617-F647 HydrophobicContact CE1-CD1 4.13Å; Y617-F647 HydrophobicContact CE1-CD2 4.42Å; Y617-F647 AromaticContact CE1-CG 3.71Å; Y617-F647 HydrophobicContact CE1-CG 3.71Å; Y617-F647 HydrophobicContact CE2-CB 3.78Å; Y617-F647 AromaticContact CE2-CD2 3.65Å; Y617-F647 HydrophobicContact CE2-CD2 3.65Å; Y617-F647 HydrophobicContact CE2-CE2 4.44Å; Y617-F647 AromaticContact CE2-CG 3.79Å; Y617-F647 HydrophobicContact CE2-CG 3.79Å; Y617-F647 HydrophobicContact CG-CB 3.9Å; Y617-F647 AromaticContact CG-CD1 3.4Å; Y617-F647 HydrophobicContact CG-CD1 3.4Å; Y617-F647 AromaticContact CG-CD2 3.53Å; Y617-F647 HydrophobicContact CG-CD2 3.53Å; Y617-F647 AromaticContact CG-CE1 3.74Å; Y617-F647 HydrophobicContact CG-CE1 3.74Å; Y617-F647 AromaticContact CG-CE2 3.83Å; Y617-F647 HydrophobicContact CG-CE2 3.83Å; Y617-F647 AromaticContact CG-CG 3.29Å; Y617-F647 HydrophobicContact CG-CG 3.29Å; Y617-F647 AromaticContact CG-CZ 3.93Å; Y617-F647 HydrophobicContact CG-CZ 3.93Å; Y617-F647 VanDerWaalsContact CZ-CB 3.42Å; Y617-F647 AromaticContact CZ-CG 3.89Å; K643-F647 PolarHBondContact O-N 2.68Å; K643-F647 VanDerWaalsContact O-N 3.08Å; F645-F647 VanDerWaalsContact C-N 3.28Å; F645-F647 PolarHBondContact O-N 2.98Å; F647-F649 VanDerWaalsContact C-N 3.26Å; F647-F649 PolarHBondContact O-N 3.26Å; F647-V650 PolarHBondContact O-N 2.8Å; F647-N651 HydrophobicContact CD1-CB 4.44Å; F647-N651 HydrophobicContact CE1-CB 4.01Å; F647-N651 HydrophobicContact CZ-CB 4.23Å; F647-N651 WeakPolarHBondContact O-CB 3.24Å; F647-N651 PolarHBondContact O-N 3.43Å
648	Q	88.8	Confident	89.4	Confident	29 Å²	29	22.1 Å²	22.1	14%	0.136	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-33.6	-177.6	-74.2	-151.3	17.7	0	0	111.9	M644 F645 V650 N651 L652 L769 V773	M644-Q648 WeakPolarHBondContact O-CB 3.06Å; M644-Q648 WeakPolarHBondContact O-CG 3.47Å; M644-Q648 PolarHBondContact O-N 3.29Å; F645-Q648 PolarHBondContact O-N 3.45Å; Q648-V650 VanDerWaalsContact C-N 3.35Å; Q648-V650 PolarHBondContact O-N 3.1Å; Q648-N651 PolarHBondContact O-N 3.31Å; Q648-L652 WeakPolarHBondContact O-CB 3.21Å; Q648-L652 PolarHBondContact O-N 2.95Å; Q648-L769 HydrophobicContact CB-CD1 4.39Å; Q648-L769 HydrophobicContact CG-CD2 4.2Å; Q648-L769 VanDerWaalsContact NE2-CD2 3.3Å; Q648-V773 HydrophobicContact CB-CG1 4.49Å
649	F	90.2	Very high	89.2	Confident	27 Å²	27	20.4 Å²	20.4	12%	0.118	11%	0.105	C	C	.	.	H	α-helix	trans	-56.1	-48.3	173.5	-179	-89.5	0	0	0	111.6	F645 F647 N653 F657 I781 L836	F645-F649 HydrophobicContact CE2-CB 4.1Å; F645-F649 HydrophobicContact CE2-CD2 4.02Å; F645-F649 HydrophobicContact CE2-CG 4.41Å; F645-F649 HydrophobicContact CZ-CB 4.1Å; F645-F649 AromaticContact CZ-CD2 3.84Å; F645-F649 HydrophobicContact CZ-CD2 3.84Å; F645-F649 HydrophobicContact CZ-CG 4.12Å; F645-F649 WeakPolarHBondContact O-CB 3.26Å; F645-F649 PolarHBondContact O-N 2.81Å; F647-F649 VanDerWaalsContact C-N 3.26Å; F647-F649 PolarHBondContact O-N 3.26Å; F649-N653 WeakPolarHBondContact CD2-ND2 3.37Å; F649-N653 WeakPolarHBondContact CE2-ND2 3.35Å; F649-N653 VanDerWaalsContact O-CB 3.29Å; F649-N653 WeakPolarHBondContact O-CB 3.29Å; F649-N653 PolarHBondContact O-N 3.33Å; F649-N653 PolarHBondContact O-ND2 3.01Å; F649-N653 VanDerWaalsContact O-ND2 3.09Å; F649-F657 HydrophobicContact CE1-CE2 4.01Å; F649-F657 AromaticContact CZ-CE2 3.94Å; F649-F657 HydrophobicContact CZ-CE2 3.94Å; F649-F657 HydrophobicContact CZ-CZ 4.17Å; F649-I781 HydrophobicContact CE2-CD1 3.63Å; F649-I781 HydrophobicContact CZ-CD1 4.2Å; F649-L836 HydrophobicContact CE1-CD2 4.01Å; F649-L836 HydrophobicContact CE2-CD2 4.11Å; F649-L836 HydrophobicContact CZ-CD2 3.39Å
650	V	90.1	Very high	89.1	Confident	31 Å²	31	19.2 Å²	19.2	19%	0.188	10%	0.097	C	C	.	.	H	α-helix	trans	-71.4	-47.6	176.9	-177.1	0	0	0	0	110.6	I561 V564 L565 L646 F647 Q648 L652 N653 S654	I561-V650 HydrophobicContact CD1-CG2 4.49Å; I561-V650 HydrophobicContact CG1-CG2 4.43Å; I561-V650 HydrophobicContact CG2-CG1 4.37Å; I561-V650 HydrophobicContact CG2-CG2 4.44Å; V564-V650 HydrophobicContact CG1-CG1 3.88Å; L565-V650 HydrophobicContact CD2-CG1 4.18Å; L646-V650 WeakPolarHBondContact O-CG2 3.18Å; L646-V650 PolarHBondContact O-N 2.85Å; F647-V650 PolarHBondContact O-N 2.8Å; Q648-V650 VanDerWaalsContact C-N 3.35Å; Q648-V650 PolarHBondContact O-N 3.1Å; V650-L652 VanDerWaalsContact C-N 3.25Å; V650-L652 PolarHBondContact O-N 3.44Å; V650-N653 PolarHBondContact O-N 3.26Å; V650-S654 WeakPolarHBondContact O-CB 3.26Å; V650-S654 PolarHBondContact O-N 3.17Å; V650-S654 PolarHBondContact O-OG 3.17Å
651	N	87.6	Confident	88.9	Confident	5 Å²	5	21.3 Å²	21.3	3%	0.027	11%	0.106	C	C	.	.	H	α-helix	trans	-57.5	-38	-177.6	-165.4	29.8	0	0	0	112.4	V564 I610 N614 F647 Q648	V564-N651 HydrophobicContact CG1-CB 4.24Å; V564-N651 HydrophobicContact CG2-CB 4.2Å; I610-N651 PolarHBondContact O-ND2 3.01Å; I610-N651 VanDerWaalsContact O-ND2 3.08Å; N614-N651 PolarHBondContact OD1-ND2 2.97Å; F647-N651 HydrophobicContact CD1-CB 4.44Å; F647-N651 HydrophobicContact CE1-CB 4.01Å; F647-N651 HydrophobicContact CZ-CB 4.23Å; F647-N651 WeakPolarHBondContact O-CB 3.24Å; F647-N651 PolarHBondContact O-N 3.43Å; Q648-N651 PolarHBondContact O-N 3.31Å
652	L	85.4	Confident	88.7	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-79.6	-54.7	177.5	-172.7	69.2	0	0	0	112.7	Q648 V650 I701 K705 V773 L774 F778	Q648-L652 WeakPolarHBondContact O-CB 3.21Å; Q648-L652 PolarHBondContact O-N 2.95Å; V650-L652 VanDerWaalsContact C-N 3.25Å; V650-L652 PolarHBondContact O-N 3.44Å; L652-I701 HydrophobicContact CD1-CG2 3.86Å; L652-K705 HydrophobicContact CD1-CD 4.25Å; L652-V773 HydrophobicContact CD2-CG1 3.74Å; L652-L774 HydrophobicContact CD1-CD2 4.08Å; L652-L774 HydrophobicContact CD2-CD2 3.57Å; L652-L774 HydrophobicContact CD2-CG 4.39Å; L652-L774 HydrophobicContact CG-CD2 4.49Å; L652-F778 HydrophobicContact CD1-CE2 4.22Å; L652-F778 HydrophobicContact CD1-CZ 3.77Å; L652-F778 HydrophobicContact CD2-CE1 4.19Å; L652-F778 HydrophobicContact CD2-CE2 3.83Å; L652-F778 HydrophobicContact CD2-CZ 3.55Å; L652-F778 HydrophobicContact CG-CE1 4.22Å; L652-F778 HydrophobicContact CG-CE2 4.22Å; L652-F778 HydrophobicContact CG-CZ 3.55Å
653	N	87.1	Confident	88.3	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-86.9	-18.1	-167	-63.5	-60.4	0	0	0	114.3	F649 V650 S655 T656 F657 F778 F782	F649-N653 WeakPolarHBondContact CD2-ND2 3.37Å; F649-N653 WeakPolarHBondContact CE2-ND2 3.35Å; F649-N653 VanDerWaalsContact O-CB 3.29Å; F649-N653 WeakPolarHBondContact O-CB 3.29Å; F649-N653 PolarHBondContact O-N 3.33Å; F649-N653 PolarHBondContact O-ND2 3.01Å; F649-N653 VanDerWaalsContact O-ND2 3.09Å; V650-N653 PolarHBondContact O-N 3.26Å; N653-S655 VanDerWaalsContact C-N 3.34Å; N653-S655 PolarHBondContact O-N 3.49Å; N653-T656 CarbonylContact O-C 3.04Å; N653-T656 WeakPolarHBondContact O-CA 3.17Å; N653-T656 WeakPolarHBondContact O-CB 3.37Å; N653-T656 PolarHBondContact O-N 2.91Å; N653-F657 HydrophobicContact CB-CD2 3.79Å; N653-F657 HydrophobicContact CB-CE2 3.57Å; N653-F657 WeakPolarHBondContact O-CD2 3.29Å; N653-F657 PolarHBondContact O-N 3.48Å; N653-F778 WeakPolarHBondContact OD1-CE1 3.4Å; N653-F782 HydrophobicContact CB-CE2 4.48Å
654	S	88.4	Confident	87.6	Confident	14 Å²	14	24.4 Å²	24.4	10%	0.098	12%	0.124	C	C	.	.	H	α-helix	trans	-56.8	-43.6	-178.3	51	0	0	0	0	113.2	V568 V650 T656 F657 Y658	V568-S654 WeakPolarHBondContact CG2-OG 3.36Å; V650-S654 WeakPolarHBondContact O-CB 3.26Å; V650-S654 PolarHBondContact O-N 3.17Å; V650-S654 PolarHBondContact O-OG 3.17Å; S654-T656 VanDerWaalsContact C-N 3.27Å; S654-T656 PolarHBondContact O-N 3.48Å; S654-F657 PolarHBondContact O-N 3.16Å; S654-Y658 PolarHBondContact O-N 3.13Å
655	S	85	Confident	87.2	Confident	8 Å²	8	29.5 Å²	29.5	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-31.7	176	70.3	0	0	0	0	112.4	N606 N653 I659 Q697	N606-S655 PolarHBondContact ND2-OG 3.44Å; N606-S655 VanDerWaalsContact ND2-OG 3.16Å; N653-S655 VanDerWaalsContact C-N 3.34Å; N653-S655 PolarHBondContact O-N 3.49Å; S655-I659 PolarHBondContact O-N 3.4Å; S655-Q697 PolarHBondContact O-NE2 2.95Å; S655-Q697 PolarHBondContact O-OE1 2.82Å; S655-Q697 PolarHBondContact OG-NE2 2.8Å; S655-Q697 VanDerWaalsContact OG-NE2 3.15Å
656	T	86.4	Confident	86.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-75.6	-42.4	177.1	-44.6	0	0	0	0	111.7	N653 S654 Y658 I659 A660 L694 M698 F782	N653-T656 CarbonylContact O-C 3.04Å; N653-T656 WeakPolarHBondContact O-CA 3.17Å; N653-T656 WeakPolarHBondContact O-CB 3.37Å; N653-T656 PolarHBondContact O-N 2.91Å; S654-T656 VanDerWaalsContact C-N 3.27Å; S654-T656 PolarHBondContact O-N 3.48Å; T656-Y658 VanDerWaalsContact C-N 3.28Å; T656-Y658 PolarHBondContact O-N 3.45Å; T656-I659 PolarHBondContact O-N 2.91Å; T656-A660 WeakPolarHBondContact O-CB 3.35Å; T656-A660 PolarHBondContact O-N 3.35Å; T656-L694 HydrophobicContact CG2-CD1 3.39Å; T656-M698 HydrophobicContact CG2-CG 4.02Å; T656-F782 HydrophobicContact CG2-CD1 4.21Å; T656-F782 HydrophobicContact CG2-CD2 3.96Å; T656-F782 HydrophobicContact CG2-CE1 3.91Å; T656-F782 HydrophobicContact CG2-CE2 3.63Å; T656-F782 HydrophobicContact CG2-CG 4.24Å; T656-F782 HydrophobicContact CG2-CZ 3.61Å
657	F	90.1	Very high	85.9	Confident	39 Å²	39	30.7 Å²	30.7	17%	0.171	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-33.8	172.9	-76.2	-59.4	0	0	0	112.5	F649 N653 S654 F661 I781 F782 T840	F649-F657 HydrophobicContact CE1-CE2 4.01Å; F649-F657 AromaticContact CZ-CE2 3.94Å; F649-F657 HydrophobicContact CZ-CE2 3.94Å; F649-F657 HydrophobicContact CZ-CZ 4.17Å; N653-F657 HydrophobicContact CB-CD2 3.79Å; N653-F657 HydrophobicContact CB-CE2 3.57Å; N653-F657 WeakPolarHBondContact O-CD2 3.29Å; N653-F657 PolarHBondContact O-N 3.48Å; S654-F657 PolarHBondContact O-N 3.16Å; F657-F661 HydrophobicContact CD1-CD2 4.04Å; F657-F661 AromaticContact CD1-CE2 3.68Å; F657-F661 HydrophobicContact CD1-CE2 3.68Å; F657-F661 HydrophobicContact CE1-CE2 4.1Å; F657-F661 PolarHBondContact O-N 2.67Å; F657-F661 VanDerWaalsContact O-N 3.08Å; F657-I781 HydrophobicContact CE1-CG2 4.48Å; F657-I781 HydrophobicContact CZ-CG2 4.24Å; F657-F782 AromaticContact CD1-CE1 3.94Å; F657-F782 HydrophobicContact CD1-CE1 3.94Å; F657-F782 AromaticContact CD1-CZ 3.7Å; F657-F782 HydrophobicContact CD1-CZ 3.7Å; F657-F782 HydrophobicContact CD2-CZ 4.37Å; F657-F782 AromaticContact CE1-CE1 4Å; F657-F782 HydrophobicContact CE1-CE1 4Å; F657-F782 AromaticContact CE1-CZ 3.66Å; F657-F782 HydrophobicContact CE1-CZ 3.66Å; F657-F782 HydrophobicContact CE2-CZ 4.32Å; F657-F782 HydrophobicContact CG-CZ 4.07Å; F657-F782 AromaticContact CZ-CZ 3.97Å; F657-F782 HydrophobicContact CZ-CZ 3.97Å; F657-T840 HydrophobicContact CE1-CG2 3.76Å
658	Y	88.1	Confident	85.5	Confident	46 Å²	46	32.1 Å²	32.1	18%	0.18	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-51.4	173.3	177.2	-97.2	0	0	0	111.7	V572 S654 T656 A660 F662 L663	V572-Y658 HydrophobicContact CG1-CE1 4.23Å; V572-Y658 HydrophobicContact CG1-CE2 4.37Å; V572-Y658 WeakPolarHBondContact CG1-OH 3.39Å; V572-Y658 HydrophobicContact CG2-CD1 3.81Å; V572-Y658 HydrophobicContact CG2-CD2 4.27Å; V572-Y658 HydrophobicContact CG2-CE1 3.52Å; V572-Y658 HydrophobicContact CG2-CE2 4.01Å; V572-Y658 HydrophobicContact CG2-CG 4.19Å; S654-Y658 PolarHBondContact O-N 3.13Å; T656-Y658 VanDerWaalsContact C-N 3.28Å; T656-Y658 PolarHBondContact O-N 3.45Å; Y658-A660 PolarHBondContact O-N 3.09Å; Y658-F662 HydrophobicContact CD2-CB 3.77Å; Y658-F662 HydrophobicContact CD2-CG 4.46Å; Y658-F662 HydrophobicContact CE2-CB 3.89Å; Y658-F662 PolarHBondContact O-N 2.86Å; Y658-L663 HydrophobicContact CE1-CB 4.48Å; Y658-L663 HydrophobicContact CE1-CD1 4.16Å; Y658-L663 PolarHBondContact O-N 3.27Å
659	I	85	Confident	85.2	Confident	15 Å²	15	33.8 Å²	33.8	8%	0.077	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-37.9	178.6	-64.9	-158	0	0	0	111.7	S655 T656 L663 D693 L694	S655-I659 PolarHBondContact O-N 3.4Å; T656-I659 PolarHBondContact O-N 2.91Å; I659-L663 HydrophobicContact CB-CD2 4.38Å; I659-L663 HydrophobicContact CG1-CD2 4.29Å; I659-L663 HydrophobicContact CG2-CD2 3.91Å; I659-D693 HydrophobicContact CG2-CB 3.79Å; I659-L694 HydrophobicContact CG2-CB 4.09Å
660	A	88.1	Confident	84.7	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-42.9	179.2	0	0	0	0	0	113.8	T656 Y658 L694 F782 T848	T656-A660 WeakPolarHBondContact O-CB 3.35Å; T656-A660 PolarHBondContact O-N 3.35Å; Y658-A660 PolarHBondContact O-N 3.09Å; A660-L694 HydrophobicContact CB-CD1 4.17Å; A660-L694 HydrophobicContact CB-CD2 4.03Å; A660-F782 HydrophobicContact CB-CE1 4.32Å; A660-T848 PolarHBondContact O-OG1 3.33Å
661	F	88.7	Confident	84.1	Confident	45 Å²	45	33.2 Å²	33.2	20%	0.197	18%	0.175	C	C	.	.	H	α-helix	trans	-123.6	-18	-163.5	-57.8	-36	0	0	0	116.4	F657 T840 F843 V844	F657-F661 HydrophobicContact CD1-CD2 4.04Å; F657-F661 AromaticContact CD1-CE2 3.68Å; F657-F661 HydrophobicContact CD1-CE2 3.68Å; F657-F661 HydrophobicContact CE1-CE2 4.1Å; F657-F661 PolarHBondContact O-N 2.67Å; F657-F661 VanDerWaalsContact O-N 3.08Å; F661-T840 HydrophobicContact CE2-CG2 4.31Å; F661-T840 HydrophobicContact CZ-CG2 3.97Å; F661-F843 HydrophobicContact CD1-CB 4.4Å; F661-F843 HydrophobicContact CE1-CB 3.52Å; F661-F843 HydrophobicContact CE2-CB 4.46Å; F661-F843 HydrophobicContact CZ-CB 3.55Å; F661-V844 HydrophobicContact CE1-CG2 3.83Å; F661-V844 HydrophobicContact CZ-CG2 3.99Å
662	F	86.3	Confident	83.8	Confident	111 Å²	111	40.5 Å²	40.5	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-31.7	-174.5	-65.4	-91.5	0	0	0	113.5	Y658 F666	Y658-F662 HydrophobicContact CD2-CB 3.77Å; Y658-F662 HydrophobicContact CD2-CG 4.46Å; Y658-F662 HydrophobicContact CE2-CB 3.89Å; Y658-F662 PolarHBondContact O-N 2.86Å; F662-F666 HydrophobicContact CD1-CE2 4.03Å
663	L	82.6	Confident	83.5	Confident	8 Å²	8	41.4 Å²	41.4	4%	0.042	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	138.8	177.2	-172.2	66.4	0	0	0	111.9	Y658 I659 R665 E683	Y658-L663 HydrophobicContact CE1-CB 4.48Å; Y658-L663 HydrophobicContact CE1-CD1 4.16Å; Y658-L663 PolarHBondContact O-N 3.27Å; I659-L663 HydrophobicContact CB-CD2 4.38Å; I659-L663 HydrophobicContact CG1-CD2 4.29Å; I659-L663 HydrophobicContact CG2-CD2 3.91Å; L663-R665 PolarHBondContact O-N 3.08Å; L663-E683 HydrophobicContact CD1-CB 3.73Å; L663-E683 HydrophobicContact CD1-CG 3.72Å
664	G	77.1	Confident	83.3	Confident	28 Å²	28	45.5 Å²	45.5	29%	0.289	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-19.5	179.5	0	0	0	0	0	117	F666 E683	G664-F666 PolarHBondContact O-N 2.81Å; G664-E683 WeakPolarHBondContact CA-O 3.46Å; G664-E683 PolarHBondContact N-O 3.31Å; G664-E683 VanDerWaalsContact N-O 3.07Å
665	R	81.8	Confident	82.8	Confident	112 Å²	112	48.5 Å²	48.5	42%	0.423	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-24.5	-170.9	-162.3	68.1	-169.1	117.7	-2.3	114	L663	L663-R665 PolarHBondContact O-N 3.08Å
666	F	82.3	Confident	82.4	Confident	108 Å²	108	49.9 Å²	49.9	47%	0.474	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	10.3	-174.5	-64.6	-78.2	0	0	0	114.5	F662 G664 G668 N674 L682	F662-F666 HydrophobicContact CD1-CE2 4.03Å; G664-F666 PolarHBondContact O-N 2.81Å; F666-G668 VanDerWaalsContact C-N 3.35Å; F666-G668 PolarHBondContact O-N 3.3Å; F666-N674 WeakPolarHBondContact O-CB 3.25Å; F666-N674 PolarHBondContact O-ND2 3.41Å; F666-L682 HydrophobicContact CB-CD1 4.2Å
667	A	74.9	Confident	81.9	Confident	8 Å²	8	57 Å²	57	7%	0.066	28%	0.281	C	S	.	.			trans	-62.5	-33.3	-173.7	0	0	0	0	0	114.9	Y673 N674 E684	A667-Y673 WeakPolarHBondContact O-CA 3.36Å; A667-N674 PolarHBondContact O-N 2.94Å; A667-E684 HydrophobicContact CB-CG 3.37Å
668	G	81.1	Confident	81.2	Confident	32 Å²	32	62.3 Å²	62.3	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	103.1	-135.5	-178.2	0	0	0	0	0	112.1	F666	F666-G668 VanDerWaalsContact C-N 3.35Å; F666-G668 PolarHBondContact O-N 3.3Å
669	R	83.5	Confident	80.5	Confident	63 Å²	63	68.3 Å²	68.3	24%	0.238	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.5	173.3	64.9	162.6	-140.6	-161.7	8.3	110.9	K672 Y673 E891 Y903	R669-K672 HydrophobicContact CG-CB 4.08Å; R669-K672 PolarHBondContact N-O 3.28Å; R669-K672 CarbonylContact O-C 3.57Å; R669-K672 WeakPolarHBondContact O-CA 3.2Å; R669-K672 PolarHBondContact O-N 3.45Å; R669-Y673 WeakPolarHBondContact O-CD1 3.36Å; R669-Y673 PolarHBondContact O-N 3.42Å; R669-E891 IonicContact NH2-OE2 2.75Å; R669-E891 PolarHBondContact NH2-OE2 3.43Å; R669-Y903 HydrophobicContact CB-CE2 4.36Å
670	P	80.1	Confident	79.9	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.032	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	140.9	162	-27	36.4	0	0	0	112.4	K672 F887 Y903	P670-K672 PolarHBondContact O-N 3.5Å; P670-K672 VanDerWaalsContact O-N 3.1Å; P670-F887 HydrophobicContact CB-CB 4.34Å; P670-F887 HydrophobicContact CB-CD1 3.5Å; P670-F887 VanDerWaalsContact CB-CD1 3.5Å; P670-F887 HydrophobicContact CB-CD2 3.75Å; P670-F887 HydrophobicContact CB-CE1 3.55Å; P670-F887 HydrophobicContact CB-CE2 3.82Å; P670-F887 HydrophobicContact CB-CG 3.59Å; P670-F887 HydrophobicContact CB-CZ 3.71Å; P670-F887 HydrophobicContact CG-CD1 4.4Å; P670-F887 HydrophobicContact CG-CG 4.27Å; P670-F887 WeakPolarHBondContact O-CE2 3.49Å; P670-Y903 VanDerWaalsContact CD-CD2 3.5Å; P670-Y903 VanDerWaalsContact CD-CE2 3.49Å; P670-Y903 HydrophobicContact CG-CD1 3.91Å; P670-Y903 HydrophobicContact CG-CD2 3.97Å; P670-Y903 HydrophobicContact CG-CE1 4.24Å; P670-Y903 HydrophobicContact CG-CE2 4.28Å; P670-Y903 HydrophobicContact CG-CG 3.76Å
671	G	75.9	Confident	79.3	Confident	42 Å²	42	71 Å²	71	43%	0.433	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-15.5	-171.4	0	0	0	0	0	115.8
672	K	81.5	Confident	78.6	Confident	157 Å²	157	70.8 Å²	70.8	68%	0.683	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.2	71.3	174.5	-163.4	175.8	-177.9	177.1	0	111.7	R669 P670	R669-K672 HydrophobicContact CG-CB 4.08Å; R669-K672 PolarHBondContact N-O 3.28Å; R669-K672 CarbonylContact O-C 3.57Å; R669-K672 WeakPolarHBondContact O-CA 3.2Å; R669-K672 PolarHBondContact O-N 3.45Å; P670-K672 PolarHBondContact O-N 3.5Å; P670-K672 VanDerWaalsContact O-N 3.1Å
673	Y	79.7	Confident	77.9	Confident	24 Å²	24	66.8 Å²	66.8	9%	0.094	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	147.9	172.7	-61	-66.9	0	0	0	111.6	A667 R669 K675 R681 E684	A667-Y673 WeakPolarHBondContact O-CA 3.36Å; R669-Y673 WeakPolarHBondContact O-CD1 3.36Å; R669-Y673 PolarHBondContact O-N 3.42Å; Y673-K675 PolarHBondContact O-N 2.84Å; Y673-R681 VanDerWaalsContact CE1-CZ 3.47Å; Y673-R681 HydrophobicContact CG-CG 4.28Å; Y673-R681 VanDerWaalsContact CZ-NH2 3.34Å; Y673-R681 PolarHBondContact OH-NH2 2.77Å; Y673-E684 VanDerWaalsContact CE1-OE1 3.31Å; Y673-E684 WeakPolarHBondContact CE1-OE1 3.29Å
674	N	82	Confident	77.4	Confident	86 Å²	86	68.9 Å²	68.9	46%	0.46	33%	0.334	S	S	.	.			trans	-79.7	113	170.1	-70.1	-30.3	0	0	0	109.1	F666 A667 L682	F666-N674 WeakPolarHBondContact O-CB 3.25Å; F666-N674 PolarHBondContact O-ND2 3.41Å; A667-N674 PolarHBondContact O-N 2.94Å; N674-L682 HydrophobicContact CB-CD1 4.1Å
675	K	79	Confident	77.3	Confident	77 Å²	77	68.6 Å²	68.6	34%	0.335	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.4	-179	-60.3	-165.5	-176.7	-162.4	0	111.9	E449 Y673 F677 N678 W680	E449-K675 WeakPolarHBondContact OE1-CE 3.46Å; E449-K675 IonicContact OE1-NZ 2.6Å; E449-K675 PolarHBondContact OE1-NZ 3.11Å; E449-K675 IonicContact OE2-NZ 3.94Å; E449-K675 PolarHBondContact OE2-NZ 3.4Å; Y673-K675 PolarHBondContact O-N 2.84Å; K675-F677 PolarHBondContact O-N 3.17Å; K675-N678 PolarHBondContact O-N 3.1Å; K675-W680 CarbonylContact C-O 3.51Å; K675-W680 WeakPolarHBondContact CA-O 3.28Å
676	L	76.9	Confident	76.7	Confident	37 Å²	37	65.1 Å²	65.1	19%	0.194	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.6	172.1	-166.1	70.6	0	0	0	109.5	F569 V573 L576 N678 R679 W680	F569-L676 HydrophobicContact CE2-CD1 4.29Å; F569-L676 HydrophobicContact CE2-CD2 4.18Å; F569-L676 HydrophobicContact CZ-CD1 4.2Å; F569-L676 HydrophobicContact CZ-CD2 3.98Å; V573-L676 HydrophobicContact CG2-CD2 3.82Å; L576-L676 HydrophobicContact CD1-CD2 4.04Å; L676-N678 PolarHBondContact O-N 3.22Å; L676-R679 PolarHBondContact O-N 3.46Å; L676-R679 VanDerWaalsContact O-N 3.08Å; L676-W680 PolarHBondContact N-O 2.83Å; L676-W680 PolarHBondContact O-N 3.46Å; L676-W680 VanDerWaalsContact O-N 3.07Å
677	F	76.2	Confident	75.8	Confident	151 Å²	151	60.7 Å²	60.7	66%	0.662	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.8	-170.7	-56.5	-73.2	0	0	0	113.7	F569 K675 R679	F569-F677 HydrophobicContact CE1-CE2 4.24Å; F569-F677 HydrophobicContact CE1-CZ 4.34Å; F569-F677 HydrophobicContact CZ-CE2 4.06Å; F569-F677 HydrophobicContact CZ-CZ 4.29Å; K675-F677 PolarHBondContact O-N 3.17Å; F677-R679 PolarHBondContact O-N 3.08Å
678	N	74.1	Confident	75.2	Confident	150 Å²	150	60.7 Å²	60.7	80%	0.802	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	5.2	-174.4	-64.7	-15.2	0	0	0	116	K675 L676	K675-N678 PolarHBondContact O-N 3.1Å; L676-N678 PolarHBondContact O-N 3.22Å
679	R	73.2	Confident	74.8	Confident	172 Å²	172	59.4 Å²	59.4	65%	0.649	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-49.2	-173.6	-175.1	172.3	-179.7	157.8	4.5	113.6	L676 F677	L676-R679 PolarHBondContact O-N 3.46Å; L676-R679 VanDerWaalsContact O-N 3.08Å; F677-R679 PolarHBondContact O-N 3.08Å
680	W	73.2	Confident	74.6	Confident	43 Å²	43	57.4 Å²	57.4	16%	0.163	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.6	-169.2	-53	96.2	0	0	0	111.3	L576 I577 E580 K675 L676	L576-W680 HydrophobicContact CB-CB 4.44Å; L576-W680 HydrophobicContact CD1-CB 4.08Å; I577-W680 HydrophobicContact CB-CH2 4.31Å; I577-W680 HydrophobicContact CB-CZ3 4.27Å; I577-W680 HydrophobicContact CD1-CZ2 4.44Å; I577-W680 HydrophobicContact CG1-CD2 4.21Å; I577-W680 HydrophobicContact CG1-CE3 4.13Å; I577-W680 HydrophobicContact CG1-CH2 3.76Å; I577-W680 HydrophobicContact CG1-CZ2 3.81Å; I577-W680 HydrophobicContact CG1-CZ3 3.91Å; I577-W680 HydrophobicContact CG2-CH2 4.18Å; I577-W680 HydrophobicContact CG2-CZ3 4.46Å; E580-W680 HydrophobicContact CB-CZ3 4.38Å; E580-W680 WeakPolarHBondContact OE2-CZ3 3.46Å; K675-W680 CarbonylContact C-O 3.51Å; K675-W680 WeakPolarHBondContact CA-O 3.28Å; L676-W680 PolarHBondContact N-O 2.83Å; L676-W680 PolarHBondContact O-N 3.46Å; L676-W680 VanDerWaalsContact O-N 3.07Å
681	R	74.8	Confident	74.7	Confident	33 Å²	33	57.4 Å²	57.4	13%	0.125	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	138	173.5	177.6	172.9	170.2	-170.9	-6.9	109.8	P446 M447 L576 Y673 E684	P446-R681 PolarHBondContact O-NH1 3.08Å; P446-R681 PolarHBondContact O-NH2 3.19Å; M447-R681 VanDerWaalsContact C-NH1 3.25Å; M447-R681 VanDerWaalsContact O-CZ 3.28Å; M447-R681 PolarHBondContact O-NH1 3.31Å; M447-R681 VanDerWaalsContact O-NH1 3.16Å; L576-R681 WeakPolarHBondContact CD2-O 3.24Å; Y673-R681 VanDerWaalsContact CE1-CZ 3.47Å; Y673-R681 HydrophobicContact CG-CG 4.28Å; Y673-R681 VanDerWaalsContact CZ-NH2 3.34Å; Y673-R681 PolarHBondContact OH-NH2 2.77Å; R681-E684 IonicContact CZ-OE1 2.92Å; R681-E684 VanDerWaalsContact CZ-OE1 3.23Å; R681-E684 IonicContact CZ-OE2 3.23Å; R681-E684 IonicContact NE-OE1 2.82Å; R681-E684 PolarHBondContact NE-OE1 3.1Å; R681-E684 IonicContact NH2-OE1 3.4Å; R681-E684 PolarHBondContact NH2-OE1 3Å; R681-E684 IonicContact NH2-OE2 2.77Å; R681-E684 PolarHBondContact NH2-OE2 3.16Å
682	L	75.1	Confident	75	Confident	39 Å²	39	56.2 Å²	56.2	20%	0.204	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-70.4	145.8	174.3	-76.3	165.4	0	0	0	111.3	F666 N674	F666-L682 HydrophobicContact CB-CD1 4.2Å; N674-L682 HydrophobicContact CB-CD1 4.1Å
683	E	71	Confident	74.9	Confident	27 Å²	27	51 Å²	51	13%	0.126	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-68.7	130.7	-175.4	-168.5	177.6	163	0	0	112.3	R575 L576 M579 L663 G664	R575-E683 IonicContact CZ-OE1 2.86Å; R575-E683 IonicContact CZ-OE2 3.95Å; R575-E683 IonicContact NH1-OE1 2.81Å; R575-E683 PolarHBondContact NH1-OE1 2.94Å; R575-E683 IonicContact NH1-OE2 2.71Å; R575-E683 PolarHBondContact NH1-OE2 2.79Å; R575-E683 IonicContact NH2-OE1 3.45Å; L576-E683 HydrophobicContact CD2-CB 3.95Å; M579-E683 HydrophobicContact CE-CB 4.09Å; M579-E683 HydrophobicContact CE-CG 3.88Å; M579-E683 HydrophobicContact SD-CG 4.27Å; L663-E683 HydrophobicContact CD1-CB 3.73Å; L663-E683 HydrophobicContact CD1-CG 3.72Å; G664-E683 WeakPolarHBondContact CA-O 3.46Å; G664-E683 PolarHBondContact N-O 3.31Å; G664-E683 VanDerWaalsContact N-O 3.07Å
684	E	73	Confident	75.1	Confident	52 Å²	52	49.9 Å²	49.9	24%	0.243	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-102.1	139	179.2	-78.7	164.6	-140.4	0	0	110.8	M447 A667 Y673 R681	M447-E684 HydrophobicContact CE-CB 3.76Å; A667-E684 HydrophobicContact CB-CG 3.37Å; Y673-E684 VanDerWaalsContact CE1-OE1 3.31Å; Y673-E684 WeakPolarHBondContact CE1-OE1 3.29Å; R681-E684 IonicContact CZ-OE1 2.92Å; R681-E684 VanDerWaalsContact CZ-OE1 3.23Å; R681-E684 IonicContact CZ-OE2 3.23Å; R681-E684 IonicContact NE-OE1 2.82Å; R681-E684 PolarHBondContact NE-OE1 3.1Å; R681-E684 IonicContact NH2-OE1 3.4Å; R681-E684 PolarHBondContact NH2-OE1 3Å; R681-E684 IonicContact NH2-OE2 2.77Å; R681-E684 PolarHBondContact NH2-OE2 3.16Å
685	C	74.1	Confident	75.3	Confident	23 Å²	23	46.3 Å²	46.3	16%	0.155	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.9	156.2	177.9	-57.7	0	0	0	0	112.2	C690	C685-C690 HydrophobicContact CB-CB 3.9Å; C685-C690 WeakPolarHBondContact CB-SG 3.29Å; C685-C690 WeakPolarHBondContact SG-CB 3.31Å; C685-C690 CovalentContact SG-SG 2.03Å; C685-C690 PolarHBondContact SG-SG 3.36Å
686	H	68.8	Low	75.3	Confident	38 Å²	38	46.8 Å²	46.8	18%	0.176	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-51.8	146.8	169.7	-154.6	-102.9	0	0	0	111.6	S460 F463 S688 G689	S460-H686 PolarHBondContact OG-CE1 3.02Å; S460-H686 VanDerWaalsContact OG-CE1 3.26Å; F463-H686 VanDerWaalsContact CB-CE1 3.41Å; F463-H686 WeakPolarHBondContact CB-CE1 3.08Å; F463-H686 AromaticContact CD2-CE1 3.55Å; F463-H686 AromaticContact CD2-NE2 3.72Å; F463-H686 AromaticContact CG-CE1 3.55Å; F463-H686 AromaticContact CG-ND1 4Å; H686-S688 PolarHBondContact ND1-OG 3.01Å; H686-S688 PolarHBondContact O-N 2.95Å; H686-S688 VanDerWaalsContact O-N 3.07Å; H686-G689 PolarHBondContact O-N 3.49Å
687	P	64.8	Low	75.5	Confident	15 Å²	15	45.9 Å²	45.9	10%	0.097	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.3	179.6	24.3	-39.8	0	0	0	113.7	W455 L457 S460 G689 R904	W455-P687 HydrophobicContact CH2-CB 4.18Å; W455-P687 HydrophobicContact CH2-CG 3.6Å; W455-P687 HydrophobicContact CZ3-CG 3.97Å; L457-P687 HydrophobicContact CD1-CB 4.22Å; L457-P687 HydrophobicContact CD1-CG 4.47Å; S460-P687 VanDerWaalsContact OG-CG 3.27Å; S460-P687 WeakPolarHBondContact OG-CG 3.33Å; P687-G689 PolarHBondContact O-N 2.91Å; P687-R904 PolarHBondContact O-NH1 3.16Å
688	S	62.4	Low	75.9	Confident	8 Å²	8	38.8 Å²	38.8	6%	0.056	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	9.7	176.5	66	0	0	0	0	114.5	T467 H686	T467-S688 VanDerWaalsContact CG2-O 3.24Å; T467-S688 WeakPolarHBondContact CG2-O 3.45Å; T467-S688 WeakPolarHBondContact OG1-CB 3.46Å; T467-S688 PolarHBondContact OG1-O 3.21Å; T467-S688 PolarHBondContact OG1-OG 3.04Å; H686-S688 PolarHBondContact ND1-OG 3.01Å; H686-S688 PolarHBondContact O-N 2.95Å; H686-S688 VanDerWaalsContact O-N 3.07Å
689	G	71.8	Confident	76.3	Confident	5 Å²	5	32.6 Å²	32.6	5%	0.052	16%	0.162	C	C	.	.			trans	92.6	153.2	173.2	0	0	0	0	0	115.1	H686 P687 L691	H686-G689 PolarHBondContact O-N 3.49Å; P687-G689 PolarHBondContact O-N 2.91Å; G689-L691 PolarHBondContact O-N 2.86Å; G689-L691 VanDerWaalsContact O-N 3.13Å
690	C	78.6	Confident	76.6	Confident	22 Å²	22	26.2 Å²	26.2	15%	0.149	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.4	-177	-32.2	0	0	0	0	114.2	C685 I692 D693 L694 T848	C685-C690 HydrophobicContact CB-CB 3.9Å; C685-C690 WeakPolarHBondContact CB-SG 3.29Å; C685-C690 WeakPolarHBondContact SG-CB 3.31Å; C685-C690 CovalentContact SG-SG 2.03Å; C685-C690 PolarHBondContact SG-SG 3.36Å; C690-I692 VanDerWaalsContact C-N 3.28Å; C690-I692 PolarHBondContact O-N 3.48Å; C690-D693 PolarHBondContact O-N 3.28Å; C690-L694 PolarHBondContact O-N 3.06Å; C690-T848 HydrophobicContact CB-CG2 4.18Å
691	L	83.6	Confident	76.9	Confident	5 Å²	5	25 Å²	25	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-28.2	-173.8	-170.7	146.7	0	0	0	112.4	F470 G689 C695 A785 T848	F470-L691 HydrophobicContact CB-CD2 3.9Å; G689-L691 PolarHBondContact O-N 2.86Å; G689-L691 VanDerWaalsContact O-N 3.13Å; L691-C695 VanDerWaalsContact O-CB 3.27Å; L691-C695 WeakPolarHBondContact O-CB 3.42Å; L691-C695 PolarHBondContact O-N 2.86Å; L691-A785 HydrophobicContact CG-CB 4.41Å; L691-T848 HydrophobicContact CB-CG2 4.49Å
692	I	81.3	Confident	77.1	Confident	17 Å²	17	24.6 Å²	24.6	9%	0.087	14%	0.138	C	C	.	.	H	α-helix	trans	-66.8	-44.9	172	-68.5	-177.5	0	0	0	111	F463 V466 T467 C690 L694 C695 L696	F463-I692 HydrophobicContact CB-CD1 4.14Å; F463-I692 HydrophobicContact CD1-CD1 4.05Å; F463-I692 VanDerWaalsContact O-CD1 3.28Å; F463-I692 WeakPolarHBondContact O-CD1 3.17Å; V466-I692 HydrophobicContact CB-CD1 4.13Å; V466-I692 HydrophobicContact CG1-CD1 4.02Å; V466-I692 HydrophobicContact CG1-CG1 4.42Å; T467-I692 VanDerWaalsContact OG1-CD1 3.27Å; T467-I692 WeakPolarHBondContact OG1-CD1 3.45Å; C690-I692 VanDerWaalsContact C-N 3.28Å; C690-I692 PolarHBondContact O-N 3.48Å; I692-L694 VanDerWaalsContact C-N 3.28Å; I692-L694 PolarHBondContact O-N 3.19Å; I692-C695 PolarHBondContact O-N 2.96Å; I692-L696 VanDerWaalsContact O-CB 3.31Å; I692-L696 WeakPolarHBondContact O-CB 3.49Å; I692-L696 PolarHBondContact O-N 3.18Å
693	D	79.5	Confident	77.4	Confident	47 Å²	47	28.4 Å²	28.4	25%	0.251	15%	0.153	S	C	.	.	H	α-helix	trans	-61.5	-41.5	-179.2	-56.3	-63.3	0	0	0	110.8	I659 C690 Q697	I659-D693 HydrophobicContact CG2-CB 3.79Å; C690-D693 PolarHBondContact O-N 3.28Å; D693-Q697 VanDerWaalsContact O-CB 3.25Å; D693-Q697 WeakPolarHBondContact O-CB 3.43Å; D693-Q697 PolarHBondContact O-N 3.48Å
694	L	84.4	Confident	77.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-50.6	172.4	177.2	59.5	0	0	0	111.9	T656 I659 A660 C690 I692 L696 Q697 M698 F782 A785 V844 T848	T656-L694 HydrophobicContact CG2-CD1 3.39Å; I659-L694 HydrophobicContact CG2-CB 4.09Å; A660-L694 HydrophobicContact CB-CD1 4.17Å; A660-L694 HydrophobicContact CB-CD2 4.03Å; C690-L694 PolarHBondContact O-N 3.06Å; I692-L694 VanDerWaalsContact C-N 3.28Å; I692-L694 PolarHBondContact O-N 3.19Å; L694-L696 PolarHBondContact O-N 3.26Å; L694-Q697 PolarHBondContact O-N 2.79Å; L694-M698 HydrophobicContact CD1-CG 4.41Å; L694-M698 HydrophobicContact CD1-SD 4.18Å; L694-M698 HydrophobicContact CG-SD 4.22Å; L694-M698 WeakPolarHBondContact O-CB 3.29Å; L694-M698 VanDerWaalsContact O-CG 3.3Å; L694-M698 WeakPolarHBondContact O-CG 3.2Å; L694-M698 PolarHBondContact O-N 3.15Å; L694-F782 HydrophobicContact CD1-CD1 4.25Å; L694-A785 HydrophobicContact CD2-CB 3.68Å; L694-A785 HydrophobicContact CG-CB 3.99Å; L694-V844 HydrophobicContact CD2-CG1 4.3Å; L694-V844 HydrophobicContact CD2-CG2 4.47Å; L694-T848 HydrophobicContact CD2-CG2 4.24Å
695	C	85.3	Confident	78	Confident	11 Å²	11	30.9 Å²	30.9	7%	0.074	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-41.3	178.8	179.7	0	0	0	0	112.3	L691 I692 G699 F786	L691-C695 VanDerWaalsContact O-CB 3.27Å; L691-C695 WeakPolarHBondContact O-CB 3.42Å; L691-C695 PolarHBondContact O-N 2.86Å; I692-C695 PolarHBondContact O-N 2.96Å; C695-G699 PolarHBondContact O-N 3.02Å; C695-F786 WeakPolarHBondContact SG-CD2 3.5Å
696	L	80.1	Confident	78.4	Confident	88 Å²	88	30.6 Å²	30.6	46%	0.461	16%	0.159	S	C	.	.	H	α-helix	trans	-68.6	-46.3	178.8	-174.8	152	0	0	0	110.5	I692 L694 M698 G699 V700	I692-L696 VanDerWaalsContact O-CB 3.31Å; I692-L696 WeakPolarHBondContact O-CB 3.49Å; I692-L696 PolarHBondContact O-N 3.18Å; L694-L696 PolarHBondContact O-N 3.26Å; L696-M698 PolarHBondContact O-N 3.22Å; L696-G699 PolarHBondContact O-N 3.22Å; L696-V700 HydrophobicContact CD2-CG2 4.04Å; L696-V700 HydrophobicContact CG-CG2 4.47Å; L696-V700 VanDerWaalsContact O-CB 3.3Å; L696-V700 WeakPolarHBondContact O-CB 3.46Å; L696-V700 VanDerWaalsContact O-CG2 3.28Å; L696-V700 WeakPolarHBondContact O-CG2 3.39Å; L696-V700 PolarHBondContact O-N 2.99Å
697	Q	81.4	Confident	79	Confident	17 Å²	17	33 Å²	33	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-47.3	175	-178.6	-178.8	24.1	0	0	111.5	S655 D693 L694 I701	S655-Q697 PolarHBondContact O-NE2 2.95Å; S655-Q697 PolarHBondContact O-OE1 2.82Å; S655-Q697 PolarHBondContact OG-NE2 2.8Å; S655-Q697 VanDerWaalsContact OG-NE2 3.15Å; D693-Q697 VanDerWaalsContact O-CB 3.25Å; D693-Q697 WeakPolarHBondContact O-CB 3.43Å; D693-Q697 PolarHBondContact O-N 3.48Å; L694-Q697 PolarHBondContact O-N 2.79Å; Q697-I701 HydrophobicContact CG-CD1 3.77Å; Q697-I701 WeakPolarHBondContact O-CB 3.28Å; Q697-I701 VanDerWaalsContact O-CG1 3.24Å; Q697-I701 WeakPolarHBondContact O-CG1 3.29Å; Q697-I701 PolarHBondContact O-N 2.86Å
698	M	83.8	Confident	79.9	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-49.8	176.1	-73.8	172.8	60.5	0	0	112.4	T656 L694 L696 V700 I701 M702 F782 A785 F786	T656-M698 HydrophobicContact CG2-CG 4.02Å; L694-M698 HydrophobicContact CD1-CG 4.41Å; L694-M698 HydrophobicContact CD1-SD 4.18Å; L694-M698 HydrophobicContact CG-SD 4.22Å; L694-M698 WeakPolarHBondContact O-CB 3.29Å; L694-M698 VanDerWaalsContact O-CG 3.3Å; L694-M698 WeakPolarHBondContact O-CG 3.2Å; L694-M698 PolarHBondContact O-N 3.15Å; L696-M698 PolarHBondContact O-N 3.22Å; M698-V700 VanDerWaalsContact C-N 3.33Å; M698-V700 PolarHBondContact O-N 3.46Å; M698-I701 PolarHBondContact O-N 3.27Å; M698-M702 VanDerWaalsContact O-CB 3.26Å; M698-M702 WeakPolarHBondContact O-CB 3.36Å; M698-M702 PolarHBondContact O-N 3.43Å; M698-F782 HydrophobicContact CE-CB 3.52Å; M698-F782 HydrophobicContact SD-CB 3.38Å; M698-F782 WeakPolarHBondContact SD-CB 3.3Å; M698-F782 HydrophobicContact SD-CG 4.09Å; M698-A785 HydrophobicContact SD-CB 4.28Å; M698-F786 HydrophobicContact CE-CB 3.99Å
699	G	81.4	Confident	80.8	Confident	20 Å²	20	37.8 Å²	37.8	21%	0.206	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-42.1	-179.2	0	0	0	0	0	112.1	C695 L696 F703	C695-G699 PolarHBondContact O-N 3.02Å; L696-G699 PolarHBondContact O-N 3.22Å; G699-F703 WeakPolarHBondContact O-CB 3.48Å; G699-F703 PolarHBondContact O-N 2.88Å
700	V	79.6	Confident	81.4	Confident	38 Å²	38	38.5 Å²	38.5	23%	0.23	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-50	175	167.3	0	0	0	0	111.5	V603 L696 M698 M702 F703 F704	V603-V700 HydrophobicContact CG1-CG1 3.73Å; L696-V700 HydrophobicContact CD2-CG2 4.04Å; L696-V700 HydrophobicContact CG-CG2 4.47Å; L696-V700 VanDerWaalsContact O-CB 3.3Å; L696-V700 WeakPolarHBondContact O-CB 3.46Å; L696-V700 VanDerWaalsContact O-CG2 3.28Å; L696-V700 WeakPolarHBondContact O-CG2 3.39Å; L696-V700 PolarHBondContact O-N 2.99Å; M698-V700 VanDerWaalsContact C-N 3.33Å; M698-V700 PolarHBondContact O-N 3.46Å; V700-M702 PolarHBondContact O-N 3.47Å; V700-F703 PolarHBondContact O-N 3.08Å; V700-F704 HydrophobicContact CB-CD2 4.44Å; V700-F704 HydrophobicContact CG1-CD2 3.77Å; V700-F704 HydrophobicContact CG1-CE2 4.24Å; V700-F704 WeakPolarHBondContact O-CB 3.45Å; V700-F704 WeakPolarHBondContact O-CD2 3.46Å; V700-F704 PolarHBondContact O-N 3.48Å
701	I	79.3	Confident	81.7	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.092	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-46.6	-179.9	-67.4	168.6	0	0	0	110.4	L652 Q697 M698 F703 K705 F778	L652-I701 HydrophobicContact CD1-CG2 3.86Å; Q697-I701 HydrophobicContact CG-CD1 3.77Å; Q697-I701 WeakPolarHBondContact O-CB 3.28Å; Q697-I701 VanDerWaalsContact O-CG1 3.24Å; Q697-I701 WeakPolarHBondContact O-CG1 3.29Å; Q697-I701 PolarHBondContact O-N 2.86Å; M698-I701 PolarHBondContact O-N 3.27Å; I701-F703 PolarHBondContact O-N 3.4Å; I701-K705 HydrophobicContact CG2-CB 4.48Å; I701-K705 WeakPolarHBondContact O-CA 3.13Å; I701-K705 WeakPolarHBondContact O-CB 3.43Å; I701-K705 PolarHBondContact O-N 3.47Å; I701-F778 HydrophobicContact CB-CZ 4.45Å; I701-F778 HydrophobicContact CG2-CE2 3.76Å; I701-F778 HydrophobicContact CG2-CZ 3.69Å
702	M	79.6	Confident	81.7	Confident	23 Å²	23	46.8 Å²	46.8	11%	0.113	23%	0.227	C	C	.	.	H	α-helix	trans	-67.9	-35	-178.1	-170.3	174.6	58.4	0	0	112.5	M698 V700 Q706 F778 F786 L792	M698-M702 VanDerWaalsContact O-CB 3.26Å; M698-M702 WeakPolarHBondContact O-CB 3.36Å; M698-M702 PolarHBondContact O-N 3.43Å; V700-M702 PolarHBondContact O-N 3.47Å; M702-Q706 WeakPolarHBondContact O-CB 3.21Å; M702-F778 HydrophobicContact CB-CD2 4.46Å; M702-F786 HydrophobicContact CE-CD1 4.29Å; M702-F786 HydrophobicContact CE-CE1 3.82Å; M702-L792 HydrophobicContact CE-CB 3.72Å; M702-L792 HydrophobicContact CE-CD1 3.66Å; M702-L792 HydrophobicContact CE-CG 4.25Å; M702-L792 HydrophobicContact SD-CB 4.49Å
703	F	81.8	Confident	81.7	Confident	120 Å²	120	47.8 Å²	47.8	53%	0.526	23%	0.232	S	C	.	.	H	α-helix	trans	-73.1	-55.8	175	-178	-101	0	0	0	112.1	G699 V700 I701 I707	G699-F703 WeakPolarHBondContact O-CB 3.48Å; G699-F703 PolarHBondContact O-N 2.88Å; V700-F703 PolarHBondContact O-N 3.08Å; I701-F703 PolarHBondContact O-N 3.4Å; F703-I707 HydrophobicContact CD1-CD1 3.89Å; F703-I707 HydrophobicContact CD2-CD1 3.96Å; F703-I707 HydrophobicContact CE1-CD1 3.52Å; F703-I707 HydrophobicContact CE2-CD1 3.6Å; F703-I707 HydrophobicContact CG-CD1 4.11Å; F703-I707 HydrophobicContact CZ-CD1 3.37Å; F703-I707 WeakPolarHBondContact O-CB 3.45Å; F703-I707 WeakPolarHBondContact O-CG1 3.31Å; F703-I707 PolarHBondContact O-N 3.08Å; F703-I707 VanDerWaalsContact O-N 3.09Å
704	F	79.6	Confident	81.8	Confident	119 Å²	119	47.4 Å²	47.4	52%	0.522	23%	0.229	S	C	.	.	H	α-helix	trans	-74.3	-39.1	-173	-76.1	-80.2	0	0	0	113.2	V700 W708	V700-F704 HydrophobicContact CB-CD2 4.44Å; V700-F704 HydrophobicContact CG1-CD2 3.77Å; V700-F704 HydrophobicContact CG1-CE2 4.24Å; V700-F704 WeakPolarHBondContact O-CB 3.45Å; V700-F704 WeakPolarHBondContact O-CD2 3.46Å; V700-F704 PolarHBondContact O-N 3.48Å; F704-W708 VanDerWaalsContact O-CB 3.23Å; F704-W708 WeakPolarHBondContact O-CB 3.28Å; F704-W708 PolarHBondContact O-N 2.88Å
705	K	77.4	Confident	81.7	Confident	11 Å²	11	48.4 Å²	48.4	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-39.7	177.3	-169.8	178.5	169	-159.6	0	111.1	F607 L652 I701 W708 N709 L774	F607-K705 HydrophobicContact CE2-CB 4.1Å; F607-K705 HydrophobicContact CE2-CG 4.33Å; L652-K705 HydrophobicContact CD1-CD 4.25Å; I701-K705 HydrophobicContact CG2-CB 4.48Å; I701-K705 WeakPolarHBondContact O-CA 3.13Å; I701-K705 WeakPolarHBondContact O-CB 3.43Å; I701-K705 PolarHBondContact O-N 3.47Å; K705-W708 PolarHBondContact O-N 3.36Å; K705-N709 WeakPolarHBondContact CE-ND2 3.42Å; K705-N709 WeakPolarHBondContact O-CB 3.39Å; K705-N709 PolarHBondContact O-N 2.71Å; K705-N709 PolarHBondContact O-OD1 2.83Å; K705-L774 HydrophobicContact CD-CD1 4.14Å; K705-L774 HydrophobicContact CD-CD2 3.69Å
706	Q	81.6	Confident	81.6	Confident	17 Å²	17	54.8 Å²	54.8	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-46.6	177.8	-160.1	67.4	67.1	0	0	111.4	M702 W708 N709 N710 E770 N796	M702-Q706 WeakPolarHBondContact O-CB 3.21Å; Q706-W708 VanDerWaalsContact C-N 3.25Å; Q706-W708 PolarHBondContact O-N 3.31Å; Q706-N709 PolarHBondContact O-N 2.94Å; Q706-N710 PolarHBondContact NE2-OD1 2.93Å; Q706-N710 WeakPolarHBondContact O-CB 3.31Å; Q706-N710 VanDerWaalsContact O-CG 3.23Å; Q706-N710 PolarHBondContact O-N 3Å; Q706-N710 PolarHBondContact O-OD1 2.89Å; Q706-E770 PolarHBondContact NE2-OE1 2.96Å; Q706-N796 VanDerWaalsContact CD-CG 3.46Å; Q706-N796 VanDerWaalsContact CD-ND2 3.29Å; Q706-N796 HydrophobicContact CG-CB 4.07Å; Q706-N796 WeakPolarHBondContact CG-OD1 3.46Å; Q706-N796 PolarHBondContact NE2-ND2 3.14Å
707	I	82.6	Confident	81.8	Confident	90 Å²	90	51 Å²	51	46%	0.462	24%	0.244	S	C	.	.	H	α-helix	trans	-57.9	-40.1	174.2	-71.4	169.9	0	0	0	111.5	F703 F711	F703-I707 HydrophobicContact CD1-CD1 3.89Å; F703-I707 HydrophobicContact CD2-CD1 3.96Å; F703-I707 HydrophobicContact CE1-CD1 3.52Å; F703-I707 HydrophobicContact CE2-CD1 3.6Å; F703-I707 HydrophobicContact CG-CD1 4.11Å; F703-I707 HydrophobicContact CZ-CD1 3.37Å; F703-I707 WeakPolarHBondContact O-CB 3.45Å; F703-I707 WeakPolarHBondContact O-CG1 3.31Å; F703-I707 PolarHBondContact O-N 3.08Å; F703-I707 VanDerWaalsContact O-N 3.09Å; I707-F711 WeakPolarHBondContact O-CB 3.3Å; I707-F711 PolarHBondContact O-N 3.16Å
708	W	82.4	Confident	81.9	Confident	102 Å²	102	52.9 Å²	52.9	39%	0.386	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-43	177.4	-179.6	-97	0	0	0	113.2	F607 F704 K705 Q706 F711 M712	F607-W708 HydrophobicContact CZ-CB 4.13Å; F607-W708 HydrophobicContact CZ-CD2 4.44Å; F607-W708 AromaticContact CZ-CG 3.95Å; F607-W708 HydrophobicContact CZ-CG 3.95Å; F704-W708 VanDerWaalsContact O-CB 3.23Å; F704-W708 WeakPolarHBondContact O-CB 3.28Å; F704-W708 PolarHBondContact O-N 2.88Å; K705-W708 PolarHBondContact O-N 3.36Å; Q706-W708 VanDerWaalsContact C-N 3.25Å; Q706-W708 PolarHBondContact O-N 3.31Å; W708-F711 PolarHBondContact O-N 3.16Å; W708-M712 HydrophobicContact CD2-CG 4.48Å; W708-M712 HydrophobicContact CH2-CE 3.41Å; W708-M712 VanDerWaalsContact CH2-CE 3.41Å; W708-M712 HydrophobicContact CZ2-CE 3.3Å; W708-M712 HydrophobicContact CZ2-CG 4.32Å; W708-M712 HydrophobicContact CZ3-CE 4.11Å; W708-M712 PolarHBondContact O-N 2.78Å
709	N	81.4	Confident	82	Confident	20 Å²	20	57.6 Å²	57.6	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-57.7	178.2	-73.9	-2.1	0	0	0	109.8	K705 Q706 F711 M712 E713 E770 L774	K705-N709 WeakPolarHBondContact CE-ND2 3.42Å; K705-N709 WeakPolarHBondContact O-CB 3.39Å; K705-N709 PolarHBondContact O-N 2.71Å; K705-N709 PolarHBondContact O-OD1 2.83Å; Q706-N709 PolarHBondContact O-N 2.94Å; N709-F711 PolarHBondContact O-N 2.67Å; N709-F711 VanDerWaalsContact O-N 3.14Å; N709-M712 PolarHBondContact O-N 2.81Å; N709-E713 WeakPolarHBondContact O-CB 3.33Å; N709-E713 PolarHBondContact O-N 3.45Å; N709-E770 WeakPolarHBondContact CB-OE1 3.36Å; N709-E770 PolarHBondContact ND2-OE1 2.78Å; N709-E770 PolarHBondContact ND2-OE2 2.84Å; N709-L774 WeakPolarHBondContact ND2-CD1 3.49Å
710	N	84.8	Confident	82	Confident	21 Å²	21	59.5 Å²	59.5	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-56.8	-33.9	177.7	-57.6	30.4	0	0	0	111.7	Q706 L714 N796 E800 L803	Q706-N710 PolarHBondContact NE2-OD1 2.93Å; Q706-N710 WeakPolarHBondContact O-CB 3.31Å; Q706-N710 VanDerWaalsContact O-CG 3.23Å; Q706-N710 PolarHBondContact O-N 3Å; Q706-N710 PolarHBondContact O-OD1 2.89Å; N710-L714 VanDerWaalsContact O-CB 3.26Å; N710-L714 WeakPolarHBondContact O-CB 3.05Å; N710-L714 PolarHBondContact O-N 3.29Å; N710-L714 VanDerWaalsContact O-N 3.15Å; N710-N796 PolarHBondContact ND2-OD1 3.43Å; N710-E800 PolarHBondContact ND2-OE2 3.5Å; N710-L803 HydrophobicContact CB-CD1 3.8Å
711	F	85.2	Confident	82.2	Confident	128 Å²	128	57.7 Å²	57.7	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-69.9	-43.2	174.3	175.5	-95.5	0	0	0	113.1	I707 W708 N709 G715	I707-F711 WeakPolarHBondContact O-CB 3.3Å; I707-F711 PolarHBondContact O-N 3.16Å; W708-F711 PolarHBondContact O-N 3.16Å; N709-F711 PolarHBondContact O-N 2.67Å; N709-F711 VanDerWaalsContact O-N 3.14Å; F711-G715 WeakPolarHBondContact O-CA 3.49Å; F711-G715 PolarHBondContact O-N 2.72Å
712	M	82.7	Confident	82.4	Confident	73 Å²	73	64 Å²	64	36%	0.36	29%	0.294	S	S	.	.	H	α-helix	trans	-71.1	-46.8	178	-79	-63.4	173.7	0	0	111.4	W708 N709 L714 G715 Y716	W708-M712 HydrophobicContact CD2-CG 4.48Å; W708-M712 HydrophobicContact CH2-CE 3.41Å; W708-M712 VanDerWaalsContact CH2-CE 3.41Å; W708-M712 HydrophobicContact CZ2-CE 3.3Å; W708-M712 HydrophobicContact CZ2-CG 4.32Å; W708-M712 HydrophobicContact CZ3-CE 4.11Å; W708-M712 PolarHBondContact O-N 2.78Å; N709-M712 PolarHBondContact O-N 2.81Å; M712-L714 PolarHBondContact O-N 2.89Å; M712-G715 PolarHBondContact O-N 3.26Å; M712-Y716 WeakPolarHBondContact O-CB 3.49Å; M712-Y716 PolarHBondContact O-N 2.99Å
713	E	80.9	Confident	82.5	Confident	38 Å²	38	71.1 Å²	71.1	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-40.7	-177.2	-179.2	-110.4	158.6	0	0	112.5	N709 P717 L803 K807	N709-E713 WeakPolarHBondContact O-CB 3.33Å; N709-E713 PolarHBondContact O-N 3.45Å; E713-P717 VanDerWaalsContact O-CD 3.23Å; E713-P717 WeakPolarHBondContact O-CD 3.31Å; E713-P717 WeakPolarHBondContact O-CG 3.43Å; E713-L803 VanDerWaalsContact CD-CD2 3.42Å; E713-L803 VanDerWaalsContact OE1-CD2 3.24Å; E713-L803 WeakPolarHBondContact OE1-CD2 3.49Å; E713-L803 WeakPolarHBondContact OE2-CD1 3.33Å; E713-L803 WeakPolarHBondContact OE2-CD2 3.1Å; E713-K807 HydrophobicContact CG-CD 4.08Å; E713-K807 WeakPolarHBondContact OE1-CD 3.29Å; E713-K807 VanDerWaalsContact OE1-CE 3.26Å; E713-K807 WeakPolarHBondContact OE1-CE 3.34Å; E713-K807 IonicContact OE1-NZ 2.7Å; E713-K807 PolarHBondContact OE1-NZ 2.93Å
714	L	82.5	Confident	82.3	Confident	39 Å²	39	67.2 Å²	67.2	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-83.8	-45	170.8	-173.1	54.5	0	0	0	113.3	W375 N710 M712 L718 L803 Y806	W375-L714 HydrophobicContact CZ2-CD2 4.35Å; N710-L714 VanDerWaalsContact O-CB 3.26Å; N710-L714 WeakPolarHBondContact O-CB 3.05Å; N710-L714 PolarHBondContact O-N 3.29Å; N710-L714 VanDerWaalsContact O-N 3.15Å; M712-L714 PolarHBondContact O-N 2.89Å; L714-L718 HydrophobicContact CD1-CD1 3.77Å; L714-L718 HydrophobicContact CD1-CG 4.24Å; L714-L718 HydrophobicContact CG-CD1 3.76Å; L714-L718 VanDerWaalsContact O-CB 3.31Å; L714-L718 WeakPolarHBondContact O-CB 3.47Å; L714-L718 VanDerWaalsContact O-CG 3.26Å; L714-L718 WeakPolarHBondContact O-CG 3.47Å; L714-L718 PolarHBondContact O-N 3.49Å; L714-L803 HydrophobicContact CB-CD1 4.32Å; L714-L803 HydrophobicContact CB-CD2 3.82Å; L714-L803 HydrophobicContact CB-CG 4.26Å; L714-L803 HydrophobicContact CD1-CD2 4.05Å; L714-L803 HydrophobicContact CD2-CG 4.27Å; L714-L803 HydrophobicContact CG-CD2 4.32Å; L714-Y806 HydrophobicContact CD1-CD1 3.77Å; L714-Y806 HydrophobicContact CD1-CE1 3.95Å
715	G	82.9	Confident	82.1	Confident	21 Å²	21	67.1 Å²	67.1	22%	0.216	30%	0.304	C	S	.	.	H	α-helix	trans	-77.8	-39.1	-166.4	0	0	0	0	0	114	F711 M712 L718 L719	F711-G715 WeakPolarHBondContact O-CA 3.49Å; F711-G715 PolarHBondContact O-N 2.72Å; M712-G715 PolarHBondContact O-N 3.26Å; G715-L718 PolarHBondContact O-N 2.94Å; G715-L719 WeakPolarHBondContact O-CB 3.37Å; G715-L719 PolarHBondContact O-N 3.09Å
716	Y	82.8	Confident	82.2	Confident	144 Å²	144	70.7 Å²	70.7	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-58.7	-56.6	176.5	179.7	-93.4	0	0	0	112	M712 L718 L719 Q720	M712-Y716 WeakPolarHBondContact O-CB 3.49Å; M712-Y716 PolarHBondContact O-N 2.99Å; Y716-L718 PolarHBondContact O-N 3.31Å; Y716-L719 PolarHBondContact O-N 3Å; Y716-Q720 VanDerWaalsContact O-CB 3.27Å; Y716-Q720 WeakPolarHBondContact O-CB 3.26Å; Y716-Q720 PolarHBondContact O-N 2.81Å
717	P	83.8	Confident	81.9	Confident	8 Å²	8	77.5 Å²	77.5	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-34.1	179.8	28	-35.3	0	0	0	112.2	E713 N721 Q757 Q811	E713-P717 VanDerWaalsContact O-CD 3.23Å; E713-P717 WeakPolarHBondContact O-CD 3.31Å; E713-P717 WeakPolarHBondContact O-CG 3.43Å; P717-N721 WeakPolarHBondContact O-CB 3.25Å; P717-N721 PolarHBondContact O-N 3.46Å; P717-N721 PolarHBondContact O-ND2 3.43Å; P717-Q757 HydrophobicContact CB-CG 4.24Å; P717-Q811 HydrophobicContact CB-CB 4.2Å
718	L	84.6	Confident	81	Confident	57 Å²	57	76.6 Å²	76.6	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-47.7	173.4	-83.6	177.4	0	0	0	112	L714 G715 Y716 W722 Y806 Q811	L714-L718 HydrophobicContact CD1-CD1 3.77Å; L714-L718 HydrophobicContact CD1-CG 4.24Å; L714-L718 HydrophobicContact CG-CD1 3.76Å; L714-L718 VanDerWaalsContact O-CB 3.31Å; L714-L718 WeakPolarHBondContact O-CB 3.47Å; L714-L718 VanDerWaalsContact O-CG 3.26Å; L714-L718 WeakPolarHBondContact O-CG 3.47Å; L714-L718 PolarHBondContact O-N 3.49Å; G715-L718 PolarHBondContact O-N 2.94Å; Y716-L718 PolarHBondContact O-N 3.31Å; L718-W722 WeakPolarHBondContact O-CB 3.4Å; L718-W722 PolarHBondContact O-N 3.1Å; L718-Y806 HydrophobicContact CD2-CE1 4.47Å; L718-Q811 HydrophobicContact CD2-CG 4.38Å
719	L	85.5	Confident	80.3	Confident	102 Å²	102	80.4 Å²	80.4	53%	0.534	36%	0.36	S	S	.	.	H	α-helix	trans	-67.5	-43.5	-178.8	-174.2	69	0	0	0	111.2	G715 Y716 W722 W723	G715-L719 WeakPolarHBondContact O-CB 3.37Å; G715-L719 PolarHBondContact O-N 3.09Å; Y716-L719 PolarHBondContact O-N 3Å; L719-W722 HydrophobicContact CD1-CE3 3.48Å; L719-W722 VanDerWaalsContact CD1-CE3 3.48Å; L719-W722 HydrophobicContact CD1-CZ3 3.99Å; L719-W722 HydrophobicContact CG-CE3 4.3Å; L719-W722 CarbonylContact O-C 3.49Å; L719-W722 PolarHBondContact O-N 3.42Å; L719-W723 WeakPolarHBondContact O-CB 3.39Å; L719-W723 PolarHBondContact O-N 3.34Å
720	Q	81.7	Confident	79.3	Confident	60 Å²	60	88.2 Å²	88.2	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-46.9	177.8	-167.9	-175.9	10.8	0	0	111.5	Y716 W722 W723 S724 Q757	Y716-Q720 VanDerWaalsContact O-CB 3.27Å; Y716-Q720 WeakPolarHBondContact O-CB 3.26Å; Y716-Q720 PolarHBondContact O-N 2.81Å; Q720-W722 VanDerWaalsContact C-N 3.31Å; Q720-W722 PolarHBondContact O-N 2.85Å; Q720-W723 PolarHBondContact O-N 2.99Å; Q720-S724 WeakPolarHBondContact O-CB 3.41Å; Q720-S724 PolarHBondContact O-N 3.46Å; Q720-Q757 VanDerWaalsContact NE2-OE1 3.16Å
721	N	82.4	Confident	77.7	Confident	1 Å²	1	90 Å²	90	1%	0.005	42%	0.417	C	S	.	.	H	α-helix	trans	-64	-36.6	174.8	-68	-18.5	0	0	0	111	P717 R725 Q757 Q811	P717-N721 WeakPolarHBondContact O-CB 3.25Å; P717-N721 PolarHBondContact O-N 3.46Å; P717-N721 PolarHBondContact O-ND2 3.43Å; N721-R725 VanDerWaalsContact C-NH2 3.34Å; N721-R725 VanDerWaalsContact CB-NH2 3.34Å; N721-R725 WeakPolarHBondContact O-CB 3.39Å; N721-R725 VanDerWaalsContact O-CG 3.25Å; N721-R725 WeakPolarHBondContact O-CG 3.44Å; N721-R725 PolarHBondContact O-N 3.18Å; N721-R725 VanDerWaalsContact O-N 3.08Å; N721-R725 PolarHBondContact O-NE 3.24Å; N721-Q757 PolarHBondContact OD1-NE2 3.4Å; N721-Q811 PolarHBondContact ND2-O 3.4Å; N721-Q811 VanDerWaalsContact ND2-O 3.16Å; N721-Q811 PolarHBondContact ND2-OE1 3.07Å
722	W	83.6	Confident	75.9	Confident	150 Å²	150	87.6 Å²	87.6	57%	0.568	43%	0.428	S	S	*	.	H	α-helix	trans	-66.8	-37.6	173	168.7	92.5	0	0	0	112.8	L718 L719 Q720 R726	L718-W722 WeakPolarHBondContact O-CB 3.4Å; L718-W722 PolarHBondContact O-N 3.1Å; L719-W722 HydrophobicContact CD1-CE3 3.48Å; L719-W722 VanDerWaalsContact CD1-CE3 3.48Å; L719-W722 HydrophobicContact CD1-CZ3 3.99Å; L719-W722 HydrophobicContact CG-CE3 4.3Å; L719-W722 CarbonylContact O-C 3.49Å; L719-W722 PolarHBondContact O-N 3.42Å; Q720-W722 VanDerWaalsContact C-N 3.31Å; Q720-W722 PolarHBondContact O-N 2.85Å; W722-R726 VanDerWaalsContact CZ2-CD 3.48Å; W722-R726 WeakPolarHBondContact O-CB 3.12Å; W722-R726 VanDerWaalsContact O-CG 3.31Å; W722-R726 WeakPolarHBondContact O-CG 3.22Å; W722-R726 PolarHBondContact O-N 3.35Å; W722-R726 VanDerWaalsContact O-N 3.1Å; W722-R726 PolarHBondContact O-NE 3.08Å; W722-R726 VanDerWaalsContact O-NE 3.16Å
723	W	83.2	Confident	73.9	Confident	173 Å²	173	87.5 Å²	87.5	66%	0.655	45%	0.445	S	S	*	.	H	α-helix	trans	-72.2	-43.4	177.3	-170.2	15.9	0	0	0	111.2	L719 Q720 R725 R726 K727	L719-W723 WeakPolarHBondContact O-CB 3.39Å; L719-W723 PolarHBondContact O-N 3.34Å; Q720-W723 PolarHBondContact O-N 2.99Å; W723-R725 PolarHBondContact O-N 3.27Å; W723-R726 CarbonylContact O-C 3.56Å; W723-R726 WeakPolarHBondContact O-CA 3.07Å; W723-R726 PolarHBondContact O-N 3.37Å; W723-R726 VanDerWaalsContact O-N 3.07Å; W723-K727 PolarHBondContact O-N 3.06Å
724	S	76.1	Confident	71.8	Confident	37 Å²	37	89.3 Å²	89.3	26%	0.259	48%	0.475	S	S	.	.	H	α-helix	trans	-55.5	-51.6	173	-178.8	0	0	0	0	111.4	Q720 R726 K727 M728 N755	Q720-S724 WeakPolarHBondContact O-CB 3.41Å; Q720-S724 PolarHBondContact O-N 3.46Å; S724-R726 VanDerWaalsContact C-N 3.25Å; S724-R726 PolarHBondContact O-N 3.41Å; S724-K727 WeakPolarHBondContact O-CB 3.47Å; S724-K727 PolarHBondContact O-N 3.27Å; S724-M728 PolarHBondContact O-N 3.39Å; S724-N755 PolarHBondContact OG-OD1 3.05Å
725	R	76.3	Confident	69.7	Low	118 Å²	118	90.9 Å²	90.9	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-56.8	-35.3	174.8	-73.7	179.2	-71.3	-115	3.5	113.1	N721 W723 K729	N721-R725 VanDerWaalsContact C-NH2 3.34Å; N721-R725 VanDerWaalsContact CB-NH2 3.34Å; N721-R725 WeakPolarHBondContact O-CB 3.39Å; N721-R725 VanDerWaalsContact O-CG 3.25Å; N721-R725 WeakPolarHBondContact O-CG 3.44Å; N721-R725 PolarHBondContact O-N 3.18Å; N721-R725 VanDerWaalsContact O-N 3.08Å; N721-R725 PolarHBondContact O-NE 3.24Å; W723-R725 PolarHBondContact O-N 3.27Å; R725-K729 PolarHBondContact O-N 3.44Å
726	R	79.9	Confident	67.4	Low	86 Å²	86	93.8 Å²	93.8	33%	0.325	53%	0.53	S	S	.	.	H	α-helix	trans	-76.6	-32.5	175.3	-74.7	-179.4	-70.2	169.7	-71.9	113.2	W722 W723 S724 K729 K730	W722-R726 VanDerWaalsContact CZ2-CD 3.48Å; W722-R726 WeakPolarHBondContact O-CB 3.12Å; W722-R726 VanDerWaalsContact O-CG 3.31Å; W722-R726 WeakPolarHBondContact O-CG 3.22Å; W722-R726 PolarHBondContact O-N 3.35Å; W722-R726 VanDerWaalsContact O-N 3.1Å; W722-R726 PolarHBondContact O-NE 3.08Å; W722-R726 VanDerWaalsContact O-NE 3.16Å; W723-R726 CarbonylContact O-C 3.56Å; W723-R726 WeakPolarHBondContact O-CA 3.07Å; W723-R726 PolarHBondContact O-N 3.37Å; W723-R726 VanDerWaalsContact O-N 3.07Å; S724-R726 VanDerWaalsContact C-N 3.25Å; S724-R726 PolarHBondContact O-N 3.41Å; R726-K729 PolarHBondContact O-N 2.97Å; R726-K730 PolarHBondContact O-N 3.48Å; R726-K730 VanDerWaalsContact O-N 3.1Å
727	K	73.9	Confident	65.2	Low	159 Å²	159	91.3 Å²	91.3	69%	0.691	55%	0.548	S	S	*	.	H	α-helix	trans	-65.9	-44.8	173.7	-172.3	177	179.8	179.8	0	110.7	W723 S724 K729 K730 G731	W723-K727 PolarHBondContact O-N 3.06Å; S724-K727 WeakPolarHBondContact O-CB 3.47Å; S724-K727 PolarHBondContact O-N 3.27Å; K727-K729 PolarHBondContact O-N 3.33Å; K727-K730 PolarHBondContact O-N 3.21Å; K727-G731 PolarHBondContact O-N 3.47Å
728	M	65.1	Low	62.7	Low	71 Å²	71	94.5 Å²	94.5	35%	0.35	58%	0.582	S	S	.	*	H	α-helix	trans	-58.3	-46.8	173.8	-65.5	-57.1	-163.6	0	0	111.8	S724 K730 G731 G732 N755	S724-M728 PolarHBondContact O-N 3.39Å; M728-K730 VanDerWaalsContact C-N 3.35Å; M728-K730 PolarHBondContact O-N 3.24Å; M728-G731 PolarHBondContact O-N 2.93Å; M728-G732 PolarHBondContact O-N 2.94Å; M728-N755 WeakPolarHBondContact CE-OD1 3.33Å
729	K	66	Low	60.1	Low	183 Å²	183	100.6 Å²	100.6	80%	0.796	61%	0.61	S	S	*	*	H	α-helix	trans	-61.3	-35.5	177.2	-78.8	-164.9	172.2	-158.6	0	114.2	R725 R726 K727	R725-K729 PolarHBondContact O-N 3.44Å; R726-K729 PolarHBondContact O-N 2.97Å; K727-K729 PolarHBondContact O-N 3.33Å
730	K	61.5	Low	57.8	Low	183 Å²	183	102.6 Å²	102.6	80%	0.796	62%	0.621	S	S	*	*	H	α-helix	trans	-80.1	-34.6	175	-78.3	-162.6	171.4	-167.1	0	113.1	R726 K727 M728 G732 G733	R726-K730 PolarHBondContact O-N 3.48Å; R726-K730 VanDerWaalsContact O-N 3.1Å; K727-K730 PolarHBondContact O-N 3.21Å; M728-K730 VanDerWaalsContact C-N 3.35Å; M728-K730 PolarHBondContact O-N 3.24Å; K730-G732 VanDerWaalsContact C-N 3.3Å; K730-G732 PolarHBondContact O-N 3.43Å; K730-G733 PolarHBondContact O-N 3.08Å
731	G	50.8	Low	55.8	Low	60 Å²	60	105.4 Å²	105.4	62%	0.619	64%	0.642	S	S	*	*	H	α-helix	trans	-60.8	-36.6	-180	0	0	0	0	0	113.3	K727 M728 G733	K727-G731 PolarHBondContact O-N 3.47Å; M728-G731 PolarHBondContact O-N 2.93Å; G731-G733 PolarHBondContact O-N 3.23Å
732	G	47.8	Very low	53.5	Low	77 Å²	77	113.4 Å²	113.4	79%	0.794	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-5.7	174.4	0	0	0	0	0	115.7	M728 K730	M728-G732 PolarHBondContact O-N 2.94Å; K730-G732 VanDerWaalsContact C-N 3.3Å; K730-G732 PolarHBondContact O-N 3.43Å
733	G	40.1	Very low	51.1	Low	70 Å²	70	112.9 Å²	112.9	72%	0.722	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-4.9	-179.1	0	0	0	0	0	115.2	K730 G731	K730-G733 PolarHBondContact O-N 3.08Å; G731-G733 PolarHBondContact O-N 3.23Å
734	G	38.1	Very low	49	Very low	77 Å²	77	112.4 Å²	112.4	79%	0.794	69%	0.69	S	S	*	*	S	Bend	trans	-105.3	40.8	-169.2	0	0	0	0	0	115.3
735	G	36.8	Very low	47.5	Very low	71 Å²	71	115.3 Å²	115.3	73%	0.732	71%	0.706	S	S	*	*	S	Bend	trans	-171.3	79.2	-174.9	0	0	0	0	0	116.3
736	G	35.5	Very low	46.8	Very low	83 Å²	83	116.2 Å²	116.2	86%	0.856	72%	0.716	S	S	*	*	S	Bend	trans	47.7	90.2	151.4	0	0	0	0	0	119.9
737	G	37.2	Very low	46.4	Very low	91 Å²	91	115.3 Å²	115.3	94%	0.938	72%	0.717	S	S	*	*			trans	72.2	73.9	146	0	0	0	0	0	117.9
738	G	30.3	Very low	46.7	Very low	75 Å²	75	108.9 Å²	108.9	77%	0.773	69%	0.691	S	S	*	*			trans	-150.7	133.1	169.6	0	0	0	0	0	112.2
739	Q	31.2	Very low	47.5	Very low	186 Å²	186	106 Å²	106	87%	0.869	68%	0.677	S	S	*	*			trans	-55.3	149.1	-172	-65.8	168	-11.8	0	0	114.8	V741	Q739-V741 WeakPolarHBondContact O-CG2 3.26Å; Q739-V741 PolarHBondContact O-N 3.28Å
740	N	35.7	Very low	48.4	Very low	143 Å²	143	98.3 Å²	98.3	77%	0.765	64%	0.643	S	S	*	*			trans	-35.2	98.5	179.4	-61.6	-2.6	0	0	0	115.5	E742	N740-E742 PolarHBondContact O-N 3.45Å
741	V	39.2	Very low	49.5	Very low	119 Å²	119	89.7 Å²	89.7	72%	0.721	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	53.8	174.3	-164.2	0	0	0	0	111.4	Q739	Q739-V741 WeakPolarHBondContact O-CG2 3.26Å; Q739-V741 PolarHBondContact O-N 3.28Å
742	E	35.1	Very low	51	Low	169 Å²	169	90.9 Å²	90.9	79%	0.79	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-15.9	171.7	-62.7	-161.2	113.1	0	0	112.2	N740 K744	N740-E742 PolarHBondContact O-N 3.45Å; E742-K744 PolarHBondContact O-N 2.96Å
743	N	33.8	Very low	52.9	Low	140 Å²	140	87.3 Å²	87.3	75%	0.749	56%	0.557	S	S	*	*	S	Bend	trans	-88	80.1	179	-86.3	-39.8	0	0	0	113.7	T745	N743-T745 PolarHBondContact O-N 3.07Å
744	K	37.8	Very low	55.1	Low	162 Å²	162	85.5 Å²	85.5	70%	0.704	53%	0.528	S	S	*	.			trans	37.2	52.5	146.6	-52.8	176.8	-166.3	131.8	0	118.4	E742 Q746	E742-K744 PolarHBondContact O-N 2.96Å; K744-Q746 VanDerWaalsContact C-N 3.28Å; K744-Q746 PolarHBondContact O-N 3.3Å
745	T	45.5	Very low	57.3	Low	99 Å²	99	83.1 Å²	83.1	61%	0.607	50%	0.497	S	S	*	.			trans	-65	98.3	146.4	23.4	0	0	0	0	107.3	N743 L747	N743-T745 PolarHBondContact O-N 3.07Å; T745-L747 PolarHBondContact O-N 3.19Å
746	Q	62.3	Low	59.6	Low	137 Å²	137	80.5 Å²	80.5	64%	0.64	47%	0.466	S	S	*	.			trans	-65.2	108.2	174.7	-64.1	-166.3	41.4	0	0	108.1	K744	K744-Q746 VanDerWaalsContact C-N 3.28Å; K744-Q746 PolarHBondContact O-N 3.3Å
747	L	70.3	Confident	61.9	Low	66 Å²	66	78.4 Å²	78.4	35%	0.346	43%	0.434	S	S	.	.			trans	-51.6	135.6	174.6	-82	75.1	0	0	0	109.1	T204 T745 K752	T204-L747 HydrophobicContact CG2-CD2 3.88Å; T745-L747 PolarHBondContact O-N 3.19Å; L747-K752 HydrophobicContact CB-CG 4.08Å; L747-K752 WeakPolarHBondContact O-CE 3.2Å; L747-K752 PolarHBondContact O-NZ 3.1Å
748	P	79.9	Confident	64.1	Low	24 Å²	24	77.3 Å²	77.3	16%	0.156	41%	0.411	C	S	.	.			trans	-65.8	162	-179.1	28.6	-35.3	0	0	0	111.1	W750 D751 K752	P748-W750 VanDerWaalsContact C-N 3.31Å; P748-W750 HydrophobicContact CB-CD2 3.79Å; P748-W750 HydrophobicContact CB-CE3 4.07Å; P748-W750 HydrophobicContact CB-CG 4.5Å; P748-W750 HydrophobicContact CB-CH2 3.6Å; P748-W750 HydrophobicContact CB-CZ2 3.27Å; P748-W750 HydrophobicContact CB-CZ3 4Å; P748-W750 HydrophobicContact CG-CD2 4.2Å; P748-W750 HydrophobicContact CG-CH2 4.45Å; P748-W750 HydrophobicContact CG-CZ2 3.64Å; P748-W750 PolarHBondContact O-N 2.92Å; P748-D751 HydrophobicContact CG-CB 3.92Å; P748-D751 PolarHBondContact O-N 3.13Å; P748-K752 PolarHBondContact O-N 3.44Å; P748-K752 VanDerWaalsContact O-N 3.08Å
749	Q	83.3	Confident	66.5	Low	12 Å²	12	76.4 Å²	76.4	6%	0.056	39%	0.387	C	S	.	.	H	α-helix	trans	-63.6	-37.5	-169.6	-171.7	52.7	37.7	0	0	112.4	G157 L158 H346 G348 K752 D753	G157-Q749 WeakPolarHBondContact O-CB 3.31Å; L158-Q749 HydrophobicContact CD2-CG 4.32Å; H346-Q749 VanDerWaalsContact O-CG 3.22Å; H346-Q749 WeakPolarHBondContact O-CG 3.43Å; G348-Q749 PolarHBondContact O-NE2 2.95Å; Q749-K752 WeakPolarHBondContact O-CB 3.34Å; Q749-K752 PolarHBondContact O-N 3.16Å; Q749-D753 PolarHBondContact NE2-OD1 3.02Å; Q749-D753 PolarHBondContact NE2-OD2 3.13Å; Q749-D753 WeakPolarHBondContact O-CB 3.47Å; Q749-D753 PolarHBondContact O-N 3.47Å
750	W	84	Confident	68.4	Low	21 Å²	21	71.2 Å²	71.2	8%	0.08	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-39.2	176.4	53.6	88.8	0	0	0	113.6	G157 I167 I170 E200 F210 K212 P748 D753 W754	G157-W750 VanDerWaalsContact O-CZ3 3.24Å; G157-W750 WeakPolarHBondContact O-CZ3 3.42Å; I167-W750 HydrophobicContact CD1-CE3 3.55Å; I167-W750 HydrophobicContact CD1-CZ3 3.49Å; I167-W750 VanDerWaalsContact CD1-CZ3 3.49Å; I170-W750 HydrophobicContact CD1-CB 3.45Å; I170-W750 VanDerWaalsContact CD1-CB 3.45Å; I170-W750 HydrophobicContact CG1-CB 4.15Å; E200-W750 WeakPolarHBondContact OE2-CZ2 3.08Å; F210-W750 AromaticContact CD2-CD1 3.56Å; F210-W750 AromaticContact CD2-NE1 3.89Å; F210-W750 AromaticContact CE2-CD1 3.87Å; F210-W750 AromaticContact CG-CD1 3.71Å; K212-W750 VanDerWaalsContact CE-CH2 3.42Å; K212-W750 VanDerWaalsContact CE-CZ2 3.47Å; K212-W750 VanDerWaalsContact NZ-CH2 3.28Å; P748-W750 VanDerWaalsContact C-N 3.31Å; P748-W750 HydrophobicContact CB-CD2 3.79Å; P748-W750 HydrophobicContact CB-CE3 4.07Å; P748-W750 HydrophobicContact CB-CG 4.5Å; P748-W750 HydrophobicContact CB-CH2 3.6Å; P748-W750 HydrophobicContact CB-CZ2 3.27Å; P748-W750 HydrophobicContact CB-CZ3 4Å; P748-W750 HydrophobicContact CG-CD2 4.2Å; P748-W750 HydrophobicContact CG-CH2 4.45Å; P748-W750 HydrophobicContact CG-CZ2 3.64Å; P748-W750 PolarHBondContact O-N 2.92Å; W750-D753 PolarHBondContact O-N 3.21Å; W750-W754 VanDerWaalsContact O-CB 3.24Å; W750-W754 WeakPolarHBondContact O-CB 3.14Å; W750-W754 PolarHBondContact O-N 3.3Å
751	D	84.1	Confident	69.6	Low	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-75.4	-29.1	178.7	-161.2	38.2	0	0	0	111.2	S202 F210 P748 N755	S202-D751 PolarHBondContact OG-OD1 2.74Å; F210-D751 HydrophobicContact CE2-CB 4.03Å; F210-D751 WeakPolarHBondContact CE2-OD1 3.49Å; F210-D751 HydrophobicContact CZ-CB 4.15Å; F210-D751 VanDerWaalsContact CZ-OD1 3.29Å; F210-D751 WeakPolarHBondContact CZ-OD1 3.34Å; P748-D751 HydrophobicContact CG-CB 3.92Å; P748-D751 PolarHBondContact O-N 3.13Å; D751-N755 PolarHBondContact O-N 3.3Å; D751-N755 PolarHBondContact O-ND2 3.27Å
752	K	83	Confident	70.9	Confident	86 Å²	86	63.1 Å²	63.1	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-65.9	-49.9	167.9	-71	169.4	176.9	136.9	0	111.8	L747 P748 Q749 N755	L747-K752 HydrophobicContact CB-CG 4.08Å; L747-K752 WeakPolarHBondContact O-CE 3.2Å; L747-K752 PolarHBondContact O-NZ 3.1Å; P748-K752 PolarHBondContact O-N 3.44Å; P748-K752 VanDerWaalsContact O-N 3.08Å; Q749-K752 WeakPolarHBondContact O-CB 3.34Å; Q749-K752 PolarHBondContact O-N 3.16Å; K752-N755 PolarHBondContact O-N 3.1Å; K752-N755 VanDerWaalsContact O-N 3.16Å
753	D	87.3	Confident	72.8	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.011	30%	0.296	C	S	.	.	H	α-helix	trans	-70.9	-32.1	-177	-68.4	-26.7	0	0	0	111.5	F343 H346 R365 Q749 W750 N755 L756 R813	F343-D753 HydrophobicContact CE2-CB 4.04Å; H346-D753 WeakPolarHBondContact CB-OD2 3.27Å; H346-D753 IonicContact CD2-OD1 3.63Å; H346-D753 PolarHBondContact CD2-OD1 3.27Å; H346-D753 IonicContact CD2-OD2 2.89Å; H346-D753 IonicContact CG-OD2 2.73Å; H346-D753 PolarHBondContact N-OD2 3.47Å; R365-D753 IonicContact NH1-OD1 3.7Å; R365-D753 PolarHBondContact NH1-OD1 3.47Å; Q749-D753 PolarHBondContact NE2-OD1 3.02Å; Q749-D753 PolarHBondContact NE2-OD2 3.13Å; Q749-D753 WeakPolarHBondContact O-CB 3.47Å; Q749-D753 PolarHBondContact O-N 3.47Å; W750-D753 PolarHBondContact O-N 3.21Å; D753-N755 PolarHBondContact O-N 3.07Å; D753-L756 WeakPolarHBondContact O-CB 3.15Å; D753-L756 PolarHBondContact O-N 3.3Å; D753-R813 VanDerWaalsContact O-CG 3.29Å; D753-R813 WeakPolarHBondContact O-CG 3.38Å; D753-R813 PolarHBondContact O-NE 3.38Å
754	W	86	Confident	75.2	Confident	31 Å²	31	49.5 Å²	49.5	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-55.2	-35.9	168.5	172.1	-124.7	0	0	0	112.9	V172 I208 F210 E340 A341 F343 W750 L756 R813	V172-W754 HydrophobicContact CB-CZ3 4.38Å; V172-W754 HydrophobicContact CG1-CD2 4.33Å; V172-W754 HydrophobicContact CG1-CE3 4.32Å; V172-W754 HydrophobicContact CG1-CH2 4.16Å; V172-W754 HydrophobicContact CG1-CZ2 4.14Å; V172-W754 HydrophobicContact CG1-CZ3 4.25Å; V172-W754 HydrophobicContact CG2-CD2 4.43Å; V172-W754 HydrophobicContact CG2-CE3 3.95Å; V172-W754 HydrophobicContact CG2-CZ3 4.23Å; I208-W754 HydrophobicContact CD1-CZ2 4.27Å; F210-W754 HydrophobicContact CE1-CB 3.89Å; F210-W754 HydrophobicContact CE1-CD2 4.49Å; F210-W754 AromaticContact CE1-CG 3.9Å; F210-W754 HydrophobicContact CE1-CG 3.9Å; F210-W754 HydrophobicContact CZ-CB 4.02Å; F210-W754 AromaticContact CZ-CD1 3.78Å; F210-W754 AromaticContact CZ-CG 3.96Å; F210-W754 HydrophobicContact CZ-CG 3.96Å; E340-W754 HydrophobicContact CB-CH2 4.39Å; E340-W754 HydrophobicContact CG-CH2 3.87Å; A341-W754 HydrophobicContact CB-CE3 4.32Å; A341-W754 HydrophobicContact CB-CZ3 3.61Å; F343-W754 HydrophobicContact CE1-CE3 4.04Å; F343-W754 HydrophobicContact CZ-CB 4.17Å; W750-W754 VanDerWaalsContact O-CB 3.24Å; W750-W754 WeakPolarHBondContact O-CB 3.14Å; W750-W754 PolarHBondContact O-N 3.3Å; W754-L756 VanDerWaalsContact C-N 3.27Å; W754-L756 PolarHBondContact O-N 3.37Å; W754-R813 VanDerWaalsContact CZ3-NH2 3.31Å; W754-R813 PolarHBondContact O-NH2 2.89Å
755	N	84.3	Confident	77.4	Confident	28 Å²	28	42 Å²	42	15%	0.15	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.9	177.8	-78.5	-78.7	0	0	0	114.5	S724 M728 D751 K752 D753	S724-N755 PolarHBondContact OG-OD1 3.05Å; M728-N755 WeakPolarHBondContact CE-OD1 3.33Å; D751-N755 PolarHBondContact O-N 3.3Å; D751-N755 PolarHBondContact O-ND2 3.27Å; K752-N755 PolarHBondContact O-N 3.1Å; K752-N755 VanDerWaalsContact O-N 3.16Å; D753-N755 PolarHBondContact O-N 3.07Å
756	L	86.1	Confident	79.2	Confident	16 Å²	16	39 Å²	39	8%	0.084	21%	0.212	C	C	.	.	S	Bend	trans	-91.1	160	167.7	-58.8	176.7	0	0	0	110.7	D753 W754 W812 R813	D753-L756 WeakPolarHBondContact O-CB 3.15Å; D753-L756 PolarHBondContact O-N 3.3Å; W754-L756 VanDerWaalsContact C-N 3.27Å; W754-L756 PolarHBondContact O-N 3.37Å; L756-W812 WeakPolarHBondContact CD1-O 3.48Å; L756-R813 HydrophobicContact CB-CG 3.97Å; L756-R813 PolarHBondContact O-NE 3.37Å; L756-R813 PolarHBondContact O-NH2 3.02Å
757	Q	83.8	Confident	80.3	Confident	38 Å²	38	33.2 Å²	33.2	18%	0.178	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-71.6	143.3	175.7	-62	-44.3	-53.1	0	0	111.2	P717 Q720 N721 Q811 W812 R813	P717-Q757 HydrophobicContact CB-CG 4.24Å; Q720-Q757 VanDerWaalsContact NE2-OE1 3.16Å; N721-Q757 PolarHBondContact OD1-NE2 3.4Å; Q757-Q811 PolarHBondContact N-O 3.44Å; Q757-W812 CarbonylContact O-C 3.52Å; Q757-W812 WeakPolarHBondContact O-CA 3.27Å; Q757-R813 WeakPolarHBondContact O-CG 3.41Å; Q757-R813 PolarHBondContact O-N 2.87Å
758	P	83.3	Confident	81.1	Confident	69 Å²	69	30.7 Å²	30.7	45%	0.448	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-61.7	154.8	161.1	31.4	-34.7	0	0	0	109.9
759	M	79.9	Confident	81.4	Confident	56 Å²	56	29.7 Å²	29.7	28%	0.276	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-63.3	152.7	164	-176.1	171.9	70	0	0	109.5	F808 W812 P815	M759-F808 HydrophobicContact SD-CE1 4.3Å; M759-W812 HydrophobicContact CB-CD2 4.47Å; M759-W812 HydrophobicContact CB-CE3 4.17Å; M759-W812 HydrophobicContact CB-CZ3 4.37Å; M759-W812 HydrophobicContact CG-CE3 3.89Å; M759-W812 HydrophobicContact CG-CH2 3.98Å; M759-W812 HydrophobicContact CG-CZ3 3.61Å; M759-W812 HydrophobicContact SD-CE3 4.3Å; M759-W812 HydrophobicContact SD-CZ3 3.9Å; M759-P815 HydrophobicContact CE-CB 3.64Å; M759-P815 HydrophobicContact SD-CB 3.73Å; M759-P815 HydrophobicContact SD-CG 4.47Å
760	N	72.3	Confident	81.4	Confident	77 Å²	77	30.7 Å²	30.7	41%	0.412	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-52.1	145.5	176.3	-70.7	3.6	0	0	0	111.4	H762 G763 D766	N760-H762 PolarHBondContact O-N 3.38Å; N760-G763 PolarHBondContact O-N 3.09Å; N760-D766 PolarHBondContact ND2-OD2 2.89Å
761	A	61.1	Low	81.4	Confident	80 Å²	80	29.7 Å²	29.7	66%	0.661	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.8	176.1	0	0	0	0	0	113.5
762	H	66.7	Low	81.3	Confident	12 Å²	12	29.7 Å²	29.7	6%	0.056	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2	178.3	-51.7	-63.5	0	0	0	112.6	E618 Y622 F640 N760 L764 V765	E618-H762 IonicContact OE1-CD2 3.82Å; E618-H762 PolarHBondContact OE1-CD2 3Å; E618-H762 IonicContact OE1-NE2 2.66Å; E618-H762 PolarHBondContact OE1-NE2 2.78Å; Y622-H762 AromaticContact CD2-CE1 3.56Å; F640-H762 HydrophobicContact CE1-CB 3.79Å; F640-H762 AromaticContact CE1-CG 3.74Å; F640-H762 AromaticContact CE1-ND1 3.45Å; F640-H762 WeakPolarHBondContact CE1-ND1 3.28Å; F640-H762 AromaticContact CE2-ND1 3.86Å; F640-H762 HydrophobicContact CZ-CB 4.25Å; F640-H762 AromaticContact CZ-CE1 3.79Å; F640-H762 AromaticContact CZ-CG 3.7Å; F640-H762 AromaticContact CZ-ND1 3.21Å; F640-H762 WeakPolarHBondContact CZ-ND1 3.33Å; N760-H762 PolarHBondContact O-N 3.38Å; H762-L764 PolarHBondContact O-N 3.14Å; H762-V765 WeakPolarHBondContact O-CB 3.16Å; H762-V765 WeakPolarHBondContact O-CG2 3.05Å; H762-V765 PolarHBondContact O-N 3.46Å; H762-V765 VanDerWaalsContact O-N 3.12Å
763	G	74.8	Confident	80.8	Confident	11 Å²	11	25.7 Å²	25.7	11%	0.113	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-124	172.9	0	0	0	0	0	113.5	N760	N760-G763 PolarHBondContact O-N 3.09Å
764	L	82.8	Confident	79.8	Confident	11 Å²	11	25.9 Å²	25.9	6%	0.058	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.9	179	-70.9	165.4	0	0	0	113.4	K394 I395 Y398 H762 D766 E767 Y768 F808	K394-L764 HydrophobicContact CG-CD1 3.99Å; I395-L764 HydrophobicContact CG1-CD1 4Å; Y398-L764 HydrophobicContact CD1-CD2 4.16Å; Y398-L764 HydrophobicContact CD2-CD2 4.47Å; Y398-L764 HydrophobicContact CG-CD2 4.04Å; H762-L764 PolarHBondContact O-N 3.14Å; L764-D766 VanDerWaalsContact C-N 3.32Å; L764-D766 PolarHBondContact O-N 3.42Å; L764-E767 HydrophobicContact CD2-CG 4.26Å; L764-E767 PolarHBondContact O-N 2.85Å; L764-Y768 HydrophobicContact CB-CD2 3.97Å; L764-Y768 HydrophobicContact CB-CE2 4.06Å; L764-Y768 HydrophobicContact CD1-CE2 4.42Å; L764-Y768 WeakPolarHBondContact O-CD2 3.37Å; L764-Y768 PolarHBondContact O-N 3.34Å; L764-F808 HydrophobicContact CD2-CZ 3.78Å
765	V	84.6	Confident	79.6	Confident	5 Å²	5	24.6 Å²	24.6	3%	0.03	14%	0.144	C	C	.	.	H	α-helix	trans	-61.6	-43.1	-175.9	174.9	0	0	0	0	110.5	F640 A641 H762 E767 L769 W826	F640-V765 HydrophobicContact CD1-CB 4.32Å; F640-V765 HydrophobicContact CD1-CG1 3.81Å; F640-V765 HydrophobicContact CD1-CG2 4.27Å; F640-V765 HydrophobicContact CE1-CB 4.26Å; F640-V765 HydrophobicContact CE1-CG1 3.79Å; A641-V765 HydrophobicContact CB-CG1 3.91Å; A641-V765 HydrophobicContact CB-CG2 4.39Å; H762-V765 WeakPolarHBondContact O-CB 3.16Å; H762-V765 WeakPolarHBondContact O-CG2 3.05Å; H762-V765 PolarHBondContact O-N 3.46Å; H762-V765 VanDerWaalsContact O-N 3.12Å; V765-E767 VanDerWaalsContact C-N 3.33Å; V765-E767 PolarHBondContact O-N 2.79Å; V765-L769 WeakPolarHBondContact O-CB 3.23Å; V765-L769 PolarHBondContact O-N 2.86Å; V765-W826 HydrophobicContact CG1-CZ2 4Å
766	D	82.4	Confident	79.7	Confident	37 Å²	37	23.2 Å²	23.2	20%	0.198	14%	0.137	C	C	.	.	H	α-helix	trans	-61.8	-42	179.1	-54.4	-31.8	0	0	0	111.5	N760 L764 L769 E770	N760-D766 PolarHBondContact ND2-OD2 2.89Å; L764-D766 VanDerWaalsContact C-N 3.32Å; L764-D766 PolarHBondContact O-N 3.42Å; D766-L769 PolarHBondContact O-N 3.19Å; D766-E770 PolarHBondContact O-N 2.96Å
767	E	86.3	Confident	79.8	Confident	15 Å²	15	22.5 Å²	22.5	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-52.9	180	-44.8	-65.2	174.6	0	0	111.1	Y398 L764 V765 L769 E770 M771 K807 W812	Y398-E767 HydrophobicContact CE2-CB 3.91Å; L764-E767 HydrophobicContact CD2-CG 4.26Å; L764-E767 PolarHBondContact O-N 2.85Å; V765-E767 VanDerWaalsContact C-N 3.33Å; V765-E767 PolarHBondContact O-N 2.79Å; E767-L769 VanDerWaalsContact C-N 3.3Å; E767-L769 PolarHBondContact O-N 3.42Å; E767-E770 WeakPolarHBondContact O-CB 3.38Å; E767-E770 PolarHBondContact O-N 3.04Å; E767-M771 WeakPolarHBondContact O-CG 3.4Å; E767-M771 PolarHBondContact O-N 2.03Å; E767-M771 VanDerWaalsContact O-N 3.14Å; E767-K807 WeakPolarHBondContact OE1-CE 3.46Å; E767-K807 IonicContact OE1-NZ 2.86Å; E767-K807 PolarHBondContact OE1-NZ 3.41Å; E767-K807 IonicContact OE2-NZ 2.92Å; E767-K807 PolarHBondContact OE2-NZ 2.82Å; E767-W812 VanDerWaalsContact OE1-CH2 3.25Å; E767-W812 WeakPolarHBondContact OE1-CH2 3.42Å
768	Y	88	Confident	79.8	Confident	13 Å²	13	20.8 Å²	20.8	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-37.1	175.5	-80.4	-71.3	0	0	0	112.1	Y398 W401 L764 E770 M771 V772 I823 W826	Y398-Y768 VanDerWaalsContact CA-OH 3.32Å; Y398-Y768 WeakPolarHBondContact CA-OH 3.28Å; Y398-Y768 AromaticContact CD2-CD1 3.96Å; Y398-Y768 HydrophobicContact CD2-CD1 3.96Å; Y398-Y768 HydrophobicContact CD2-CD2 4.14Å; Y398-Y768 AromaticContact CD2-CE1 3.73Å; Y398-Y768 HydrophobicContact CD2-CE1 3.73Å; Y398-Y768 AromaticContact CD2-CE2 3.92Å; Y398-Y768 HydrophobicContact CD2-CE2 3.92Å; Y398-Y768 HydrophobicContact CD2-CG 4.17Å; Y398-Y768 AromaticContact CD2-CZ 3.73Å; Y398-Y768 HydrophobicContact CE2-CD1 4.37Å; Y398-Y768 HydrophobicContact CE2-CG 4.49Å; W401-Y768 HydrophobicContact CD2-CE1 4.33Å; W401-Y768 HydrophobicContact CE3-CD1 4.25Å; W401-Y768 HydrophobicContact CE3-CE1 4.11Å; W401-Y768 HydrophobicContact CZ3-CD1 4.46Å; L764-Y768 HydrophobicContact CB-CD2 3.97Å; L764-Y768 HydrophobicContact CB-CE2 4.06Å; L764-Y768 HydrophobicContact CD1-CE2 4.42Å; L764-Y768 WeakPolarHBondContact O-CD2 3.37Å; L764-Y768 PolarHBondContact O-N 3.34Å; Y768-E770 VanDerWaalsContact C-N 3.34Å; Y768-E770 PolarHBondContact O-N 3.31Å; Y768-M771 PolarHBondContact O-N 2.84Å; Y768-V772 VanDerWaalsContact O-CB 3.23Å; Y768-V772 WeakPolarHBondContact O-CB 3.47Å; Y768-V772 WeakPolarHBondContact O-CG2 3.49Å; Y768-V772 PolarHBondContact O-N 3.41Å; Y768-I823 HydrophobicContact CE1-CB 4.24Å; Y768-I823 HydrophobicContact CE1-CG2 4.15Å; Y768-I823 WeakPolarHBondContact OH-CG2 3.3Å; Y768-W826 VanDerWaalsContact CB-NE1 3.25Å; Y768-W826 AromaticContact CD1-CD1 3.99Å; Y768-W826 HydrophobicContact CD1-CG 4.38Å; Y768-W826 AromaticContact CD2-CD1 3.75Å; Y768-W826 AromaticContact CD2-NE1 3.64Å; Y768-W826 AromaticContact CG-CD1 3.57Å; Y768-W826 HydrophobicContact CG-CG 4.22Å; Y768-W826 AromaticContact CG-NE1 3.57Å
769	L	85.3	Confident	80	Confident	3 Å²	3	17.5 Å²	17.5	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-41.5	178	-178.4	68.8	0	0	0	111.3	M644 F645 Q648 V765 D766 E767 V773 W826	M644-L769 HydrophobicContact CB-CD1 4.38Å; M644-L769 HydrophobicContact CB-CD2 3.94Å; M644-L769 HydrophobicContact CE-CD2 4.12Å; F645-L769 HydrophobicContact CB-CD1 4.34Å; Q648-L769 HydrophobicContact CB-CD1 4.39Å; Q648-L769 HydrophobicContact CG-CD2 4.2Å; Q648-L769 VanDerWaalsContact NE2-CD2 3.3Å; V765-L769 WeakPolarHBondContact O-CB 3.23Å; V765-L769 PolarHBondContact O-N 2.86Å; D766-L769 PolarHBondContact O-N 3.19Å; E767-L769 VanDerWaalsContact C-N 3.3Å; E767-L769 PolarHBondContact O-N 3.42Å; L769-V773 HydrophobicContact CD1-CG2 3.63Å; L769-V773 HydrophobicContact CG-CG2 4.37Å; L769-V773 WeakPolarHBondContact O-CB 3.3Å; L769-V773 VanDerWaalsContact O-CG2 3.29Å; L769-V773 WeakPolarHBondContact O-CG2 3.45Å; L769-V773 PolarHBondContact O-N 3.16Å; L769-W826 HydrophobicContact CB-CH2 3.69Å; L769-W826 HydrophobicContact CB-CZ2 4.16Å; L769-W826 HydrophobicContact CD1-CH2 3.72Å; L769-W826 HydrophobicContact CD1-CZ3 4.24Å; L769-W826 HydrophobicContact CG-CH2 4.31Å
770	E	83.4	Confident	80.5	Confident	33 Å²	33	15.1 Å²	15.1	15%	0.154	9%	0.092	C	C	.	.	H	α-helix	trans	-58.4	-58	170.7	176.6	106.9	-159.1	0	0	111	Q706 N709 D766 E767 Y768 V772 L774	Q706-E770 PolarHBondContact NE2-OE1 2.96Å; N709-E770 WeakPolarHBondContact CB-OE1 3.36Å; N709-E770 PolarHBondContact ND2-OE1 2.78Å; N709-E770 PolarHBondContact ND2-OE2 2.84Å; D766-E770 PolarHBondContact O-N 2.96Å; E767-E770 WeakPolarHBondContact O-CB 3.38Å; E767-E770 PolarHBondContact O-N 3.04Å; Y768-E770 VanDerWaalsContact C-N 3.34Å; Y768-E770 PolarHBondContact O-N 3.31Å; E770-V772 VanDerWaalsContact C-N 3.33Å; E770-V772 PolarHBondContact O-N 3.16Å; E770-L774 HydrophobicContact CG-CD1 4.05Å; E770-L774 VanDerWaalsContact O-CB 3.31Å; E770-L774 WeakPolarHBondContact O-CB 3.31Å; E770-L774 PolarHBondContact O-N 2.79Å; E770-L774 VanDerWaalsContact OE1-CD1 3.27Å; E770-L774 WeakPolarHBondContact OE1-CD1 3.36Å
771	M	84.1	Confident	81.4	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-60.9	-40.3	-176.1	-51.3	-55.4	127.3	0	0	112.6	Y398 W401 L402 E767 Y768 Q775 F776 E800	Y398-M771 HydrophobicContact CE2-CG 4.39Å; W401-M771 HydrophobicContact CH2-CB 3.57Å; W401-M771 HydrophobicContact CH2-CG 4.45Å; W401-M771 HydrophobicContact CZ3-CB 3.45Å; W401-M771 VanDerWaalsContact CZ3-CB 3.45Å; W401-M771 HydrophobicContact CZ3-CG 3.85Å; L402-M771 HydrophobicContact CD1-CG 4.1Å; L402-M771 HydrophobicContact CD1-SD 3.72Å; E767-M771 WeakPolarHBondContact O-CG 3.4Å; E767-M771 PolarHBondContact O-N 2.03Å; E767-M771 VanDerWaalsContact O-N 3.14Å; Y768-M771 PolarHBondContact O-N 2.84Å; M771-Q775 WeakPolarHBondContact O-CB 3.26Å; M771-Q775 PolarHBondContact O-N 3.09Å; M771-Q775 VanDerWaalsContact SD-CD 3.53Å; M771-Q775 PolarHBondContact SD-NE2 2.91Å; M771-Q775 PolarHBondContact SD-OE1 2.95Å; M771-F776 PolarHBondContact O-N 3.42Å; M771-E800 HydrophobicContact CE-CG 3.53Å; M771-E800 WeakPolarHBondContact CE-OE1 3.42Å; M771-E800 HydrophobicContact SD-CG 3.95Å
772	V	81.9	Confident	82.8	Confident	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-77.5	-46.2	-176.8	173.6	0	0	0	0	111.6	W401 Y768 E770 G777 W826 I829 L830 I833	W401-V772 HydrophobicContact CH2-CG2 4.28Å; W401-V772 HydrophobicContact CZ2-CG2 4.44Å; Y768-V772 VanDerWaalsContact O-CB 3.23Å; Y768-V772 WeakPolarHBondContact O-CB 3.47Å; Y768-V772 WeakPolarHBondContact O-CG2 3.49Å; Y768-V772 PolarHBondContact O-N 3.41Å; E770-V772 VanDerWaalsContact C-N 3.33Å; E770-V772 PolarHBondContact O-N 3.16Å; V772-G777 PolarHBondContact O-N 3.49Å; V772-W826 HydrophobicContact CB-CE3 4.14Å; V772-W826 HydrophobicContact CB-CZ3 4.31Å; V772-W826 HydrophobicContact CG1-CE3 4.1Å; V772-W826 HydrophobicContact CG1-CZ3 4.32Å; V772-W826 HydrophobicContact CG2-CD2 4.42Å; V772-W826 HydrophobicContact CG2-CE3 3.95Å; V772-I829 HydrophobicContact CG1-CG2 3.7Å; V772-L830 HydrophobicContact CB-CD2 4.43Å; V772-L830 HydrophobicContact CG1-CD2 3.95Å; V772-L830 HydrophobicContact CG1-CG 4.24Å; V772-L830 HydrophobicContact CG2-CD1 4.48Å; V772-L830 HydrophobicContact CG2-CD2 4.05Å; V772-L830 HydrophobicContact CG2-CG 4.19Å; V772-I833 HydrophobicContact CG1-CD1 3.61Å
773	V	71.5	Confident	83.9	Confident	3 Å²	3	7.1 Å²	7.1	2%	0.018	4%	0.039	C	C	.	.	I	π-helix	trans	-82.4	-40.1	-173.6	-178.6	0	0	0	0	112.3	F645 Q648 L652 L769	F645-V773 HydrophobicContact CD2-CG2 3.61Å; F645-V773 HydrophobicContact CE2-CG2 3.97Å; Q648-V773 HydrophobicContact CB-CG1 4.49Å; L652-V773 HydrophobicContact CD2-CG1 3.74Å; L769-V773 HydrophobicContact CD1-CG2 3.63Å; L769-V773 HydrophobicContact CG-CG2 4.37Å; L769-V773 WeakPolarHBondContact O-CB 3.3Å; L769-V773 VanDerWaalsContact O-CG2 3.29Å; L769-V773 WeakPolarHBondContact O-CG2 3.45Å; L769-V773 PolarHBondContact O-N 3.16Å
774	L	67.6	Low	84.5	Confident	5 Å²	5	6.7 Å²	6.7	3%	0.026	3%	0.034	C	C	.	.	I	π-helix	trans	-84.6	-61.4	179.8	-68.9	165.5	0	0	0	111.5	L652 K705 N709 E770 F778	L652-L774 HydrophobicContact CD1-CD2 4.08Å; L652-L774 HydrophobicContact CD2-CD2 3.57Å; L652-L774 HydrophobicContact CD2-CG 4.39Å; L652-L774 HydrophobicContact CG-CD2 4.49Å; K705-L774 HydrophobicContact CD-CD1 4.14Å; K705-L774 HydrophobicContact CD-CD2 3.69Å; N709-L774 WeakPolarHBondContact ND2-CD1 3.49Å; E770-L774 HydrophobicContact CG-CD1 4.05Å; E770-L774 VanDerWaalsContact O-CB 3.31Å; E770-L774 WeakPolarHBondContact O-CB 3.31Å; E770-L774 PolarHBondContact O-N 2.79Å; E770-L774 VanDerWaalsContact OE1-CD1 3.27Å; E770-L774 WeakPolarHBondContact OE1-CD1 3.36Å; L774-F778 HydrophobicContact CD2-CD2 4.27Å; L774-F778 HydrophobicContact CD2-CE2 3.72Å; L774-F778 VanDerWaalsContact O-CB 3.31Å; L774-F778 WeakPolarHBondContact O-CB 3.37Å; L774-F778 WeakPolarHBondContact O-CD2 3.3Å; L774-F778 PolarHBondContact O-N 2.87Å
775	Q	80.8	Confident	84.7	Confident	4 Å²	4	6.2 Å²	6.2	2%	0.019	3%	0.032	C	C	.	.	I	π-helix	trans	-74.5	-58.4	-168.9	-56.3	163.5	2.4	0	0	110.2	Y405 M771 T779 A793 N796 N797	Y405-Q775 HydrophobicContact CE1-CB 4.02Å; Y405-Q775 WeakPolarHBondContact OH-CB 3.32Å; M771-Q775 WeakPolarHBondContact O-CB 3.26Å; M771-Q775 PolarHBondContact O-N 3.09Å; M771-Q775 VanDerWaalsContact SD-CD 3.53Å; M771-Q775 PolarHBondContact SD-NE2 2.91Å; M771-Q775 PolarHBondContact SD-OE1 2.95Å; Q775-T779 VanDerWaalsContact O-CB 3.29Å; Q775-T779 WeakPolarHBondContact O-CB 3.45Å; Q775-T779 WeakPolarHBondContact O-CG2 3.16Å; Q775-T779 PolarHBondContact O-N 3.34Å; Q775-T779 VanDerWaalsContact O-N 3.09Å; Q775-T779 PolarHBondContact O-OG1 3.44Å; Q775-A793 HydrophobicContact CB-CB 4.48Å; Q775-N796 PolarHBondContact NE2-ND2 3.39Å; Q775-N796 VanDerWaalsContact NE2-ND2 3.17Å; Q775-N797 PolarHBondContact OE1-OD1 3.03Å
776	F	88.1	Confident	84.8	Confident	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.034	C	C	.	.	I	π-helix	trans	-67.8	-40.4	179.7	-170.1	-96.4	0	0	0	112.2	Y405 W485 A486 F489 M771 T779 T780 L830 I833	Y405-F776 AromaticContact CE2-CD2 3.95Å; Y405-F776 HydrophobicContact CE2-CD2 3.95Å; Y405-F776 WeakPolarHBondContact OH-CA 3.4Å; Y405-F776 PolarHBondContact OH-N 2.9Å; Y405-F776 VanDerWaalsContact OH-N 3.17Å; W485-F776 HydrophobicContact CH2-CE2 4.47Å; W485-F776 HydrophobicContact CZ3-CE2 4.14Å; A486-F776 HydrophobicContact CB-CZ 4.22Å; F489-F776 HydrophobicContact CD1-CD2 4.47Å; F489-F776 AromaticContact CD1-CE2 3.73Å; F489-F776 HydrophobicContact CD1-CE2 3.73Å; F489-F776 HydrophobicContact CD1-CZ 4.44Å; F489-F776 HydrophobicContact CE1-CD2 4.1Å; F489-F776 AromaticContact CE1-CE2 3.74Å; F489-F776 HydrophobicContact CE1-CE2 3.74Å; M771-F776 PolarHBondContact O-N 3.42Å; F776-T779 PolarHBondContact O-OG1 3.35Å; F776-T780 HydrophobicContact CD1-CG2 4.39Å; F776-T780 HydrophobicContact CD2-CG2 4.26Å; F776-T780 HydrophobicContact CE1-CG2 4.13Å; F776-T780 HydrophobicContact CE2-CG2 3.97Å; F776-T780 HydrophobicContact CG-CG2 4.47Å; F776-T780 HydrophobicContact CZ-CG2 3.91Å; F776-T780 WeakPolarHBondContact O-CB 3.36Å; F776-T780 WeakPolarHBondContact O-CG2 3.47Å; F776-T780 PolarHBondContact O-N 2.89Å; F776-T780 PolarHBondContact O-OG1 2.81Å; F776-L830 HydrophobicContact CB-CD2 3.91Å; F776-L830 HydrophobicContact CD1-CD2 3.31Å; F776-L830 HydrophobicContact CD2-CD2 4.05Å; F776-L830 HydrophobicContact CE1-CB 4.47Å; F776-L830 HydrophobicContact CE1-CD2 3.73Å; F776-L830 HydrophobicContact CE2-CD2 4.42Å; F776-L830 HydrophobicContact CG-CD2 3.48Å; F776-L830 VanDerWaalsContact CG-CD2 3.48Å; F776-L830 HydrophobicContact CZ-CD2 4.27Å; F776-I833 HydrophobicContact CD1-CB 4.21Å; F776-I833 HydrophobicContact CD1-CD1 4.35Å; F776-I833 HydrophobicContact CD1-CG2 3.69Å; F776-I833 HydrophobicContact CE1-CB 4.08Å; F776-I833 HydrophobicContact CE1-CG2 3.73Å
777	G	87.6	Confident	85.1	Confident	1 Å²	1	5.1 Å²	5.1	1%	0.01	3%	0.025	C	C	.	.	H	α-helix	trans	-55.6	-60.5	175.5	0	0	0	0	0	113.4	V772 T779 T780 I781	V772-G777 PolarHBondContact O-N 3.49Å; G777-T779 PolarHBondContact O-N 3.46Å; G777-T780 PolarHBondContact O-N 2.95Å; G777-T780 PolarHBondContact O-OG1 2.89Å; G777-I781 WeakPolarHBondContact O-CB 3.37Å; G777-I781 VanDerWaalsContact O-CG1 3.29Å; G777-I781 WeakPolarHBondContact O-CG1 3.3Å; G777-I781 PolarHBondContact O-N 3.28Å
778	F	83.2	Confident	85.2	Confident	2 Å²	2	5.8 Å²	5.8	1%	0.009	3%	0.029	C	C	.	.	H	α-helix	trans	-70.2	-31	-177.8	-69.8	-43.3	0	0	0	113.7	L652 N653 I701 M702 L774 T780	L652-F778 HydrophobicContact CD1-CE2 4.22Å; L652-F778 HydrophobicContact CD1-CZ 3.77Å; L652-F778 HydrophobicContact CD2-CE1 4.19Å; L652-F778 HydrophobicContact CD2-CE2 3.83Å; L652-F778 HydrophobicContact CD2-CZ 3.55Å; L652-F778 HydrophobicContact CG-CE1 4.22Å; L652-F778 HydrophobicContact CG-CE2 4.22Å; L652-F778 HydrophobicContact CG-CZ 3.55Å; N653-F778 WeakPolarHBondContact OD1-CE1 3.4Å; I701-F778 HydrophobicContact CB-CZ 4.45Å; I701-F778 HydrophobicContact CG2-CE2 3.76Å; I701-F778 HydrophobicContact CG2-CZ 3.69Å; M702-F778 HydrophobicContact CB-CD2 4.46Å; L774-F778 HydrophobicContact CD2-CD2 4.27Å; L774-F778 HydrophobicContact CD2-CE2 3.72Å; L774-F778 VanDerWaalsContact O-CB 3.31Å; L774-F778 WeakPolarHBondContact O-CB 3.37Å; L774-F778 WeakPolarHBondContact O-CD2 3.3Å; L774-F778 PolarHBondContact O-N 2.87Å; F778-T780 VanDerWaalsContact C-N 3.26Å; F778-T780 PolarHBondContact O-N 2.89Å
779	T	87.4	Confident	85.3	Confident	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-73.5	-13.2	177.3	56.8	0	0	0	0	114.4	M482 Q775 F776 G777 V783 A789 P790 A793	M482-T779 WeakPolarHBondContact CE-O 3.41Å; Q775-T779 VanDerWaalsContact O-CB 3.29Å; Q775-T779 WeakPolarHBondContact O-CB 3.45Å; Q775-T779 WeakPolarHBondContact O-CG2 3.16Å; Q775-T779 PolarHBondContact O-N 3.34Å; Q775-T779 VanDerWaalsContact O-N 3.09Å; Q775-T779 PolarHBondContact O-OG1 3.44Å; F776-T779 PolarHBondContact O-OG1 3.35Å; G777-T779 PolarHBondContact O-N 3.46Å; T779-V783 WeakPolarHBondContact O-CB 3.29Å; T779-V783 WeakPolarHBondContact O-CG2 3.33Å; T779-A789 HydrophobicContact CG2-CB 4.13Å; T779-P790 HydrophobicContact CG2-CG 4.46Å; T779-A793 HydrophobicContact CG2-CB 3.5Å; T779-A793 VanDerWaalsContact CG2-CB 3.5Å
780	T	91.3	Very high	85.6	Confident	5 Å²	5	5 Å²	5	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-113.8	-49.3	179.5	58.4	0	0	0	0	113.1	W485 A486 F776 G777 F778 F782 N841	W485-T780 HydrophobicContact CZ3-CG2 4.32Å; A486-T780 HydrophobicContact CB-CG2 4.41Å; F776-T780 HydrophobicContact CD1-CG2 4.39Å; F776-T780 HydrophobicContact CD2-CG2 4.26Å; F776-T780 HydrophobicContact CE1-CG2 4.13Å; F776-T780 HydrophobicContact CE2-CG2 3.97Å; F776-T780 HydrophobicContact CG-CG2 4.47Å; F776-T780 HydrophobicContact CZ-CG2 3.91Å; F776-T780 WeakPolarHBondContact O-CB 3.36Å; F776-T780 WeakPolarHBondContact O-CG2 3.47Å; F776-T780 PolarHBondContact O-N 2.89Å; F776-T780 PolarHBondContact O-OG1 2.81Å; G777-T780 PolarHBondContact O-N 2.95Å; G777-T780 PolarHBondContact O-OG1 2.89Å; F778-T780 VanDerWaalsContact C-N 3.26Å; F778-T780 PolarHBondContact O-N 2.89Å; T780-F782 PolarHBondContact O-N 3.22Å; T780-N841 PolarHBondContact O-ND2 2.03Å
781	I	91.5	Very high	86.1	Confident	0 Å²	0	6 Å²	6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.9	-39.8	-166.1	-64.7	170.2	0	0	0	113.2	F649 F657 G777 I833 A837 T840 N841	F649-I781 HydrophobicContact CE2-CD1 3.63Å; F649-I781 HydrophobicContact CZ-CD1 4.2Å; F657-I781 HydrophobicContact CE1-CG2 4.48Å; F657-I781 HydrophobicContact CZ-CG2 4.24Å; G777-I781 WeakPolarHBondContact O-CB 3.37Å; G777-I781 VanDerWaalsContact O-CG1 3.29Å; G777-I781 WeakPolarHBondContact O-CG1 3.3Å; G777-I781 PolarHBondContact O-N 3.28Å; I781-I833 HydrophobicContact CD1-CG2 4.03Å; I781-I833 HydrophobicContact CG1-CG2 4Å; I781-A837 HydrophobicContact CG1-CB 4.25Å; I781-T840 HydrophobicContact CG2-CG2 3.63Å; I781-T840 WeakPolarHBondContact O-CB 3.2Å; I781-T840 VanDerWaalsContact O-CG2 3.3Å; I781-T840 WeakPolarHBondContact O-CG2 3.03Å; I781-N841 PolarHBondContact O-ND2 3.46Å
782	F	88.9	Confident	86.3	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	21.6	-174.8	-60.3	-78.4	0	0	0	112.6	N653 T656 F657 A660 L694 M698 T780 A784 A785 T840 V844	N653-F782 HydrophobicContact CB-CE2 4.48Å; T656-F782 HydrophobicContact CG2-CD1 4.21Å; T656-F782 HydrophobicContact CG2-CD2 3.96Å; T656-F782 HydrophobicContact CG2-CE1 3.91Å; T656-F782 HydrophobicContact CG2-CE2 3.63Å; T656-F782 HydrophobicContact CG2-CG 4.24Å; T656-F782 HydrophobicContact CG2-CZ 3.61Å; F657-F782 AromaticContact CD1-CE1 3.94Å; F657-F782 HydrophobicContact CD1-CE1 3.94Å; F657-F782 AromaticContact CD1-CZ 3.7Å; F657-F782 HydrophobicContact CD1-CZ 3.7Å; F657-F782 HydrophobicContact CD2-CZ 4.37Å; F657-F782 AromaticContact CE1-CE1 4Å; F657-F782 HydrophobicContact CE1-CE1 4Å; F657-F782 AromaticContact CE1-CZ 3.66Å; F657-F782 HydrophobicContact CE1-CZ 3.66Å; F657-F782 HydrophobicContact CE2-CZ 4.32Å; F657-F782 HydrophobicContact CG-CZ 4.07Å; F657-F782 AromaticContact CZ-CZ 3.97Å; F657-F782 HydrophobicContact CZ-CZ 3.97Å; A660-F782 HydrophobicContact CB-CE1 4.32Å; L694-F782 HydrophobicContact CD1-CD1 4.25Å; M698-F782 HydrophobicContact CE-CB 3.52Å; M698-F782 HydrophobicContact SD-CB 3.38Å; M698-F782 WeakPolarHBondContact SD-CB 3.3Å; M698-F782 HydrophobicContact SD-CG 4.09Å; T780-F782 PolarHBondContact O-N 3.22Å; F782-A784 PolarHBondContact O-N 3.39Å; F782-A784 VanDerWaalsContact O-N 3.16Å; F782-A785 WeakPolarHBondContact O-CB 3.43Å; F782-A785 PolarHBondContact O-N 3.04Å; F782-T840 HydrophobicContact CD1-CG2 4.02Å; F782-T840 HydrophobicContact CE1-CG2 3.84Å; F782-T840 HydrophobicContact CZ-CG2 4.45Å; F782-V844 HydrophobicContact CD1-CG2 4.32Å
783	V	90.3	Very high	86.7	Confident	1 Å²	1	9.6 Å²	9.6	1%	0.006	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.2	-170.4	75.5	0	0	0	0	113.8	F478 M482 T779 A785 F786 N841	F478-V783 HydrophobicContact CD1-CG2 3.96Å; F478-V783 HydrophobicContact CE1-CG2 3.54Å; F478-V783 HydrophobicContact CZ-CG2 4.47Å; M482-V783 HydrophobicContact CB-CG1 3.84Å; M482-V783 HydrophobicContact CE-CG2 4.45Å; M482-V783 HydrophobicContact CG-CG1 4.07Å; M482-V783 HydrophobicContact CG-CG2 3.96Å; T779-V783 WeakPolarHBondContact O-CB 3.29Å; T779-V783 WeakPolarHBondContact O-CG2 3.33Å; V783-A785 PolarHBondContact O-N 3.29Å; V783-F786 CarbonylContact O-C 3.58Å; V783-F786 PolarHBondContact O-N 2.93Å; V783-N841 PolarHBondContact N-OD1 3.15Å
784	A	87.8	Confident	87.6	Confident	3 Å²	3	10.4 Å²	10.4	3%	0.025	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.8	170.7	0	0	0	0	0	113.9	A479 F782 N841 V844 I845	A479-A784 HydrophobicContact CB-CB 4.22Å; F782-A784 PolarHBondContact O-N 3.39Å; F782-A784 VanDerWaalsContact O-N 3.16Å; A784-N841 HydrophobicContact CB-CB 4.31Å; A784-N841 VanDerWaalsContact CB-OD1 3.28Å; A784-N841 WeakPolarHBondContact CB-OD1 3.31Å; A784-N841 PolarHBondContact N-OD1 3.44Å; A784-V844 HydrophobicContact CB-CG1 4.22Å; A784-I845 HydrophobicContact CB-CD1 3.96Å; A784-I845 HydrophobicContact CB-CG1 3.73Å
785	A	86.7	Confident	88.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-28.2	178	0	0	0	0	0	113.3	L691 L694 M698 F782 V783 V844	L691-A785 HydrophobicContact CG-CB 4.41Å; L694-A785 HydrophobicContact CD2-CB 3.68Å; L694-A785 HydrophobicContact CG-CB 3.99Å; M698-A785 HydrophobicContact SD-CB 4.28Å; F782-A785 WeakPolarHBondContact O-CB 3.43Å; F782-A785 PolarHBondContact O-N 3.04Å; V783-A785 PolarHBondContact O-N 3.29Å; A785-V844 HydrophobicContact CB-CG1 4.42Å
786	F	86.6	Confident	89	Confident	20 Å²	20	15.2 Å²	15.2	9%	0.088	8%	0.08	C	C	.	.			trans	-143.9	91.4	-176.3	-173.6	-119.7	0	0	0	112.5	F470 C695 M698 M702 V783 L788 A789 L792	F470-F786 HydrophobicContact CD1-CD2 4.45Å; F470-F786 AromaticContact CE1-CD2 3.88Å; F470-F786 HydrophobicContact CE1-CD2 3.88Å; F470-F786 HydrophobicContact CE1-CE2 4.1Å; F470-F786 HydrophobicContact CZ-CD2 4.38Å; F470-F786 HydrophobicContact CZ-CE2 4.4Å; C695-F786 WeakPolarHBondContact SG-CD2 3.5Å; M698-F786 HydrophobicContact CE-CB 3.99Å; M702-F786 HydrophobicContact CE-CD1 4.29Å; M702-F786 HydrophobicContact CE-CE1 3.82Å; V783-F786 CarbonylContact O-C 3.58Å; V783-F786 PolarHBondContact O-N 2.93Å; F786-L788 HydrophobicContact CE1-CB 3.95Å; F786-L788 HydrophobicContact CE2-CB 3.93Å; F786-L788 HydrophobicContact CE2-CD1 4.39Å; F786-L788 HydrophobicContact CZ-CB 3.6Å; F786-L788 HydrophobicContact CZ-CD1 4.47Å; F786-L788 PolarHBondContact O-N 3.19Å; F786-A789 HydrophobicContact CD1-CB 3.89Å; F786-A789 HydrophobicContact CE1-CB 4.47Å; F786-A789 WeakPolarHBondContact O-CB 3.41Å; F786-A789 PolarHBondContact O-N 3.1Å; F786-A789 VanDerWaalsContact O-N 3.16Å; F786-L792 HydrophobicContact CE1-CD1 3.99Å; F786-L792 HydrophobicContact CZ-CD1 4.08Å
787	P	89.3	Confident	89	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.4	-173.8	28.9	-35.7	0	0	0	114.4	G416 V419 F470 T475 F478 A789 P790	G416-P787 WeakPolarHBondContact CA-O 3.41Å; V419-P787 HydrophobicContact CG1-CB 4.34Å; F470-P787 HydrophobicContact CD1-CG 4.42Å; T475-P787 HydrophobicContact CG2-CB 4.04Å; T475-P787 HydrophobicContact CG2-CG 3.81Å; F478-P787 HydrophobicContact CD1-CB 3.72Å; F478-P787 HydrophobicContact CE1-CB 3.86Å; F478-P787 WeakPolarHBondContact CE1-O 3.32Å; P787-A789 VanDerWaalsContact C-N 3.31Å; P787-P790 WeakPolarHBondContact O-CD 3.17Å
788	L	88.9	Confident	89.1	Confident	28 Å²	28	17.7 Å²	17.7	15%	0.147	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.7	175	-67.9	178.2	0	0	0	113.5	V417 F420 F786 L791 L792	V417-L788 HydrophobicContact CG2-CD2 4Å; F420-L788 HydrophobicContact CB-CD2 3.81Å; F420-L788 HydrophobicContact CB-CG 4.09Å; F420-L788 HydrophobicContact CD1-CD1 3.9Å; F420-L788 HydrophobicContact CD1-CD2 4.06Å; F420-L788 HydrophobicContact CD1-CG 4.27Å; F420-L788 HydrophobicContact CD2-CD1 3.72Å; F420-L788 HydrophobicContact CD2-CD2 4.44Å; F420-L788 HydrophobicContact CD2-CG 3.89Å; F420-L788 HydrophobicContact CE1-CD1 3.9Å; F420-L788 HydrophobicContact CE2-CD1 3.72Å; F420-L788 HydrophobicContact CE2-CG 4.39Å; F420-L788 HydrophobicContact CG-CD1 3.81Å; F420-L788 HydrophobicContact CG-CD2 3.85Å; F420-L788 HydrophobicContact CG-CG 3.82Å; F420-L788 HydrophobicContact CZ-CD1 3.81Å; F786-L788 HydrophobicContact CE1-CB 3.95Å; F786-L788 HydrophobicContact CE2-CB 3.93Å; F786-L788 HydrophobicContact CE2-CD1 4.39Å; F786-L788 HydrophobicContact CZ-CB 3.6Å; F786-L788 HydrophobicContact CZ-CD1 4.47Å; F786-L788 PolarHBondContact O-N 3.19Å; L788-L791 HydrophobicContact CD2-CD2 4.31Å; L788-L791 WeakPolarHBondContact O-CB 3.47Å; L788-L791 PolarHBondContact O-N 3.49Å; L788-L791 VanDerWaalsContact O-N 3.09Å; L788-L792 PolarHBondContact O-N 3.44Å
789	A	89.7	Confident	89.3	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-52.8	-46.9	178.9	0	0	0	0	0	113.1	T779 F786 P787 L791 L792 A793	T779-A789 HydrophobicContact CG2-CB 4.13Å; F786-A789 HydrophobicContact CD1-CB 3.89Å; F786-A789 HydrophobicContact CE1-CB 4.47Å; F786-A789 WeakPolarHBondContact O-CB 3.41Å; F786-A789 PolarHBondContact O-N 3.1Å; F786-A789 VanDerWaalsContact O-N 3.16Å; P787-A789 VanDerWaalsContact C-N 3.31Å; A789-L791 VanDerWaalsContact C-N 3.26Å; A789-L791 PolarHBondContact O-N 3.26Å; A789-L792 PolarHBondContact O-N 2.69Å; A789-A793 PolarHBondContact O-N 3.3Å
790	P	92.1	Very high	89.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66	-25.1	-179.8	-23.8	37.9	0	0	0	113.9	L409 A412 A413 F478 M482 T779 P787 L794	L409-P790 HydrophobicContact CD1-CB 3.96Å; L409-P790 HydrophobicContact CG-CB 4.32Å; A412-P790 HydrophobicContact CB-CB 4.01Å; A412-P790 HydrophobicContact CB-CG 4.42Å; A413-P790 HydrophobicContact CB-CB 4.5Å; F478-P790 HydrophobicContact CE1-CG 4.46Å; F478-P790 HydrophobicContact CZ-CG 4.12Å; M482-P790 HydrophobicContact CE-CG 3.8Å; M482-P790 HydrophobicContact SD-CG 4.21Å; T779-P790 HydrophobicContact CG2-CG 4.46Å; P787-P790 WeakPolarHBondContact O-CD 3.17Å; P790-L794 WeakPolarHBondContact O-CB 3.41Å; P790-L794 PolarHBondContact O-N 2.94Å
791	L	91.9	Very high	89.3	Confident	55 Å²	55	21.8 Å²	21.8	29%	0.288	11%	0.113	S	C	.	.	H	α-helix	trans	-71.6	-45.9	174.5	-180	69.6	0	0	0	111.3	A413 V417 L788 A789 L794 L795	A413-L791 HydrophobicContact CB-CB 4.24Å; A413-L791 HydrophobicContact CB-CD1 4.24Å; V417-L791 HydrophobicContact CG2-CB 4.49Å; V417-L791 HydrophobicContact CG2-CD1 4.4Å; V417-L791 HydrophobicContact CG2-CD2 3.82Å; V417-L791 HydrophobicContact CG2-CG 4.46Å; L788-L791 HydrophobicContact CD2-CD2 4.31Å; L788-L791 WeakPolarHBondContact O-CB 3.47Å; L788-L791 PolarHBondContact O-N 3.49Å; L788-L791 VanDerWaalsContact O-N 3.09Å; A789-L791 VanDerWaalsContact C-N 3.26Å; A789-L791 PolarHBondContact O-N 3.26Å; L791-L794 PolarHBondContact O-N 2.98Å; L791-L795 HydrophobicContact CG-CD1 4.46Å; L791-L795 WeakPolarHBondContact O-CG 3.33Å; L791-L795 PolarHBondContact O-N 2.55Å
792	L	89.1	Confident	89.2	Confident	71 Å²	71	22.3 Å²	22.3	37%	0.372	12%	0.115	S	C	.	.	H	α-helix	trans	-69	-37.3	179.9	-64.7	-174.1	0	0	0	111.5	M702 F786 L788 A789 L795 N796	M702-L792 HydrophobicContact CE-CB 3.72Å; M702-L792 HydrophobicContact CE-CD1 3.66Å; M702-L792 HydrophobicContact CE-CG 4.25Å; M702-L792 HydrophobicContact SD-CB 4.49Å; F786-L792 HydrophobicContact CE1-CD1 3.99Å; F786-L792 HydrophobicContact CZ-CD1 4.08Å; L788-L792 PolarHBondContact O-N 3.44Å; A789-L792 PolarHBondContact O-N 2.69Å; L792-L795 HydrophobicContact CD2-CD1 4.35Å; L792-L795 PolarHBondContact O-N 2.75Å; L792-N796 PolarHBondContact O-N 3.42Å
793	A	89.6	Confident	89.2	Confident	4 Å²	4	22.5 Å²	22.5	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-45.7	168.9	0	0	0	0	0	111.8	L409 Q775 T779 A789 L795 N796 N797	L409-A793 HydrophobicContact CD2-CB 3.81Å; Q775-A793 HydrophobicContact CB-CB 4.48Å; T779-A793 HydrophobicContact CG2-CB 3.5Å; T779-A793 VanDerWaalsContact CG2-CB 3.5Å; A789-A793 PolarHBondContact O-N 3.3Å; A793-L795 VanDerWaalsContact C-N 3.31Å; A793-L795 PolarHBondContact O-N 2.95Å; A793-N796 PolarHBondContact O-N 2.86Å; A793-N797 PolarHBondContact O-N 3.46Å; A793-N797 PolarHBondContact O-OD1 2.98Å
794	L	90.9	Very high	89.1	Confident	20 Å²	20	22.4 Å²	22.4	11%	0.105	12%	0.116	C	C	.	.	H	α-helix	trans	-57.2	-42.8	176.6	177.4	65.7	0	0	0	112.4	T406 L409 I410 A413 P790 L791 I798	T406-L794 HydrophobicContact CG2-CD1 3.88Å; T406-L794 WeakPolarHBondContact O-CD1 3.45Å; L409-L794 HydrophobicContact CB-CD1 4.4Å; L409-L794 HydrophobicContact CD2-CB 4.01Å; L409-L794 HydrophobicContact CG-CB 4.34Å; I410-L794 HydrophobicContact CG1-CD1 3.91Å; I410-L794 HydrophobicContact CG1-CD2 4.19Å; A413-L794 HydrophobicContact CB-CD2 3.82Å; P790-L794 WeakPolarHBondContact O-CB 3.41Å; P790-L794 PolarHBondContact O-N 2.94Å; L791-L794 PolarHBondContact O-N 2.98Å; L794-I798 HydrophobicContact CD1-CD1 4.15Å; L794-I798 HydrophobicContact CG-CD1 4.15Å; L794-I798 WeakPolarHBondContact O-CD1 3.47Å; L794-I798 VanDerWaalsContact O-CG1 3.28Å; L794-I798 WeakPolarHBondContact O-CG1 3.48Å; L794-I798 PolarHBondContact O-N 3.11Å
795	L	89.8	Confident	89.2	Confident	95 Å²	95	22.3 Å²	22.3	50%	0.497	12%	0.115	S	C	.	.	H	α-helix	trans	-63.9	-40.1	175.2	-71	173	0	0	0	112	L791 L792 A793	L791-L795 HydrophobicContact CG-CD1 4.46Å; L791-L795 WeakPolarHBondContact O-CG 3.33Å; L791-L795 PolarHBondContact O-N 2.55Å; L792-L795 HydrophobicContact CD2-CD1 4.35Å; L792-L795 PolarHBondContact O-N 2.75Å; A793-L795 VanDerWaalsContact C-N 3.31Å; A793-L795 PolarHBondContact O-N 2.95Å
796	N	88	Confident	89.4	Confident	15 Å²	15	24 Å²	24	8%	0.08	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-51.7	174.2	-169.1	68.7	0	0	0	111.8	Q706 N710 Q775 L792 A793 I798 I799 E800	Q706-N796 VanDerWaalsContact CD-CG 3.46Å; Q706-N796 VanDerWaalsContact CD-ND2 3.29Å; Q706-N796 HydrophobicContact CG-CB 4.07Å; Q706-N796 WeakPolarHBondContact CG-OD1 3.46Å; Q706-N796 PolarHBondContact NE2-ND2 3.14Å; N710-N796 PolarHBondContact ND2-OD1 3.43Å; Q775-N796 PolarHBondContact NE2-ND2 3.39Å; Q775-N796 VanDerWaalsContact NE2-ND2 3.17Å; L792-N796 PolarHBondContact O-N 3.42Å; A793-N796 PolarHBondContact O-N 2.86Å; N796-I798 PolarHBondContact O-N 3.44Å; N796-I799 CarbonylContact O-C 3.59Å; N796-I799 WeakPolarHBondContact O-CA 3.47Å; N796-I799 VanDerWaalsContact O-CB 3.28Å; N796-I799 WeakPolarHBondContact O-CB 3.49Å; N796-I799 PolarHBondContact O-N 2.7Å; N796-E800 PolarHBondContact ND2-OE2 2.94Å; N796-E800 PolarHBondContact O-N 3.2Å
797	N	88.8	Confident	89.5	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.9	-33.5	-176.1	-65.6	26.5	0	0	0	113.1	Y405 T406 Q775 A793 I799 E800 I801	Y405-N797 VanDerWaalsContact CD1-ND2 3.25Å; Y405-N797 WeakPolarHBondContact CD1-ND2 3.45Å; Y405-N797 WeakPolarHBondContact CE1-ND2 3.45Å; T406-N797 HydrophobicContact CG2-CB 3.9Å; T406-N797 VanDerWaalsContact OG1-CB 3.29Å; T406-N797 WeakPolarHBondContact OG1-CB 3.28Å; T406-N797 PolarHBondContact OG1-ND2 2.95Å; Q775-N797 PolarHBondContact OE1-OD1 3.03Å; A793-N797 PolarHBondContact O-N 3.46Å; A793-N797 PolarHBondContact O-OD1 2.98Å; N797-I799 VanDerWaalsContact C-N 3.34Å; N797-E800 PolarHBondContact O-N 2.92Å; N797-I801 WeakPolarHBondContact O-CB 3.44Å; N797-I801 WeakPolarHBondContact O-CD1 3.31Å; N797-I801 VanDerWaalsContact O-CG1 3.26Å; N797-I801 WeakPolarHBondContact O-CG1 3.46Å; N797-I801 PolarHBondContact O-N 3.44Å
798	I	89.4	Confident	89.5	Confident	52 Å²	52	23.1 Å²	23.1	27%	0.267	12%	0.118	S	C	.	.	H	α-helix	trans	-67.2	-34.5	175.6	-68.8	166.4	0	0	0	111.9	W378 T406 L794 N796 R802	W378-I798 HydrophobicContact CB-CG2 4.32Å; W378-I798 HydrophobicContact CE3-CG2 3.96Å; T406-I798 HydrophobicContact CG2-CG1 4.11Å; L794-I798 HydrophobicContact CD1-CD1 4.15Å; L794-I798 HydrophobicContact CG-CD1 4.15Å; L794-I798 WeakPolarHBondContact O-CD1 3.47Å; L794-I798 VanDerWaalsContact O-CG1 3.28Å; L794-I798 WeakPolarHBondContact O-CG1 3.48Å; L794-I798 PolarHBondContact O-N 3.11Å; N796-I798 PolarHBondContact O-N 3.44Å; I798-R802 WeakPolarHBondContact O-CG 3.49Å
799	I	88.4	Confident	89.5	Confident	78 Å²	78	21.8 Å²	21.8	40%	0.4	11%	0.111	S	C	.	.	H	α-helix	trans	-71.1	-51.5	170.3	-65.8	168.8	0	0	0	109	W375 N796 N797 I801 R802 L803	W375-I799 HydrophobicContact CH2-CG2 4.49Å; W375-I799 HydrophobicContact CZ3-CG2 4.15Å; N796-I799 CarbonylContact O-C 3.59Å; N796-I799 WeakPolarHBondContact O-CA 3.47Å; N796-I799 VanDerWaalsContact O-CB 3.28Å; N796-I799 WeakPolarHBondContact O-CB 3.49Å; N796-I799 PolarHBondContact O-N 2.7Å; N797-I799 VanDerWaalsContact C-N 3.34Å; I799-I801 PolarHBondContact O-N 2.72Å; I799-R802 WeakPolarHBondContact O-CA 3.47Å; I799-R802 PolarHBondContact O-N 3.41Å; I799-L803 PolarHBondContact O-N 3.46Å
800	E	88.3	Confident	89.3	Confident	4 Å²	4	22 Å²	22	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-50.9	-56.5	-175.8	-147.2	73.1	-179.6	0	0	112.1	N710 M771 N796 N797 R802 L803 D804	N710-E800 PolarHBondContact ND2-OE2 3.5Å; M771-E800 HydrophobicContact CE-CG 3.53Å; M771-E800 WeakPolarHBondContact CE-OE1 3.42Å; M771-E800 HydrophobicContact SD-CG 3.95Å; N796-E800 PolarHBondContact ND2-OE2 2.94Å; N796-E800 PolarHBondContact O-N 3.2Å; N797-E800 PolarHBondContact O-N 2.92Å; E800-R802 PolarHBondContact O-N 3.31Å; E800-L803 PolarHBondContact O-N 3.03Å; E800-D804 WeakPolarHBondContact O-CB 3.08Å; E800-D804 PolarHBondContact O-N 3.07Å
801	I	88.9	Confident	89.1	Confident	11 Å²	11	22.3 Å²	22.3	6%	0.056	11%	0.114	C	C	.	.	H	α-helix	trans	-51.1	-30	179.1	-72.7	165.1	0	0	0	112.3	Q382 L402 T406 N797 I799 A805	Q382-I801 HydrophobicContact CG-CG2 4.31Å; L402-I801 HydrophobicContact CD2-CG1 3.55Å; L402-I801 HydrophobicContact CG-CD1 4.18Å; L402-I801 HydrophobicContact CG-CG1 3.63Å; T406-I801 HydrophobicContact CG2-CD1 4.2Å; T406-I801 WeakPolarHBondContact OG1-CD1 3.07Å; N797-I801 WeakPolarHBondContact O-CB 3.44Å; N797-I801 WeakPolarHBondContact O-CD1 3.31Å; N797-I801 VanDerWaalsContact O-CG1 3.26Å; N797-I801 WeakPolarHBondContact O-CG1 3.46Å; N797-I801 PolarHBondContact O-N 3.44Å; I799-I801 PolarHBondContact O-N 2.72Å; I801-A805 WeakPolarHBondContact O-CB 3.38Å; I801-A805 PolarHBondContact O-N 2.93Å
802	R	89.9	Confident	88.9	Confident	11 Å²	11	20.4 Å²	20.4	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-95.2	-31.9	-178.4	-53	-56.2	171	164.5	1	112.6	W372 W375 I377 W378 K380 I798 I799 E800 Y806	W372-R802 PolarHBondContact O-NH1 3.39Å; W375-R802 HydrophobicContact CE3-CB 4.16Å; W375-R802 HydrophobicContact CZ3-CB 4.28Å; I377-R802 PolarHBondContact O-NH2 3.01Å; W378-R802 PolarHBondContact O-NH2 3.1Å; K380-R802 PolarHBondContact O-NH2 3.47Å; I798-R802 WeakPolarHBondContact O-CG 3.49Å; I799-R802 WeakPolarHBondContact O-CA 3.47Å; I799-R802 PolarHBondContact O-N 3.41Å; E800-R802 PolarHBondContact O-N 3.31Å; R802-Y806 VanDerWaalsContact O-CB 3.26Å; R802-Y806 WeakPolarHBondContact O-CB 3.05Å; R802-Y806 PolarHBondContact O-N 2.94Å
803	L	89.3	Confident	88.9	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-65.7	-52.1	172.5	-157.5	176.9	0	0	0	109.5	W375 N710 E713 L714 I799 E800 A805 Y806 K807	W375-L803 HydrophobicContact CH2-CB 3.81Å; W375-L803 HydrophobicContact CH2-CG 3.98Å; W375-L803 HydrophobicContact CZ2-CB 4.46Å; W375-L803 HydrophobicContact CZ2-CG 4.44Å; N710-L803 HydrophobicContact CB-CD1 3.8Å; E713-L803 VanDerWaalsContact CD-CD2 3.42Å; E713-L803 VanDerWaalsContact OE1-CD2 3.24Å; E713-L803 WeakPolarHBondContact OE1-CD2 3.49Å; E713-L803 WeakPolarHBondContact OE2-CD1 3.33Å; E713-L803 WeakPolarHBondContact OE2-CD2 3.1Å; L714-L803 HydrophobicContact CB-CD1 4.32Å; L714-L803 HydrophobicContact CB-CD2 3.82Å; L714-L803 HydrophobicContact CB-CG 4.26Å; L714-L803 HydrophobicContact CD1-CD2 4.05Å; L714-L803 HydrophobicContact CD2-CG 4.27Å; L714-L803 HydrophobicContact CG-CD2 4.32Å; I799-L803 PolarHBondContact O-N 3.46Å; E800-L803 PolarHBondContact O-N 3.03Å; L803-A805 PolarHBondContact O-N 3.08Å; L803-Y806 CarbonylContact O-C 3.55Å; L803-Y806 WeakPolarHBondContact O-CA 3.34Å; L803-Y806 WeakPolarHBondContact O-CB 3.26Å; L803-Y806 PolarHBondContact O-N 3.46Å; L803-Y806 VanDerWaalsContact O-N 3.08Å; L803-K807 WeakPolarHBondContact O-CB 3.17Å; L803-K807 PolarHBondContact O-N 2.89Å
804	D	88.3	Confident	88.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-52.1	-55.1	171.7	-109.8	-38.4	0	0	0	111.7	Y398 F399 E800 Y806 K807 F808	Y398-D804 WeakPolarHBondContact CE1-OD2 3Å; Y398-D804 VanDerWaalsContact CZ-OD2 3.32Å; Y398-D804 PolarHBondContact OH-OD2 3.46Å; F399-D804 HydrophobicContact CE1-CB 3.64Å; F399-D804 HydrophobicContact CZ-CB 3.79Å; E800-D804 WeakPolarHBondContact O-CB 3.08Å; E800-D804 PolarHBondContact O-N 3.07Å; D804-Y806 PolarHBondContact O-N 3.48Å; D804-Y806 VanDerWaalsContact O-N 3.16Å; D804-K807 WeakPolarHBondContact O-CA 3.16Å; D804-K807 WeakPolarHBondContact O-CB 3.37Å; D804-K807 PolarHBondContact O-N 3.23Å; D804-K807 WeakPolarHBondContact OD1-CE 3.49Å; D804-K807 IonicContact OD1-NZ 3.68Å; D804-K807 PolarHBondContact OD1-NZ 3.14Å; D804-F808 WeakPolarHBondContact O-CD2 3.26Å; D804-F808 PolarHBondContact O-N 2.81Å
805	A	90.4	Very high	88.8	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.5	-36.4	179.7	0	0	0	0	0	111.7	W372 A373 I801 L803 V809	W372-A805 HydrophobicContact CD2-CB 3.6Å; W372-A805 VanDerWaalsContact CE2-CB 3.45Å; W372-A805 HydrophobicContact CE3-CB 3.78Å; W372-A805 HydrophobicContact CG-CB 4.29Å; W372-A805 HydrophobicContact CH2-CB 3.74Å; W372-A805 HydrophobicContact CZ2-CB 3.54Å; W372-A805 HydrophobicContact CZ3-CB 3.85Å; A373-A805 VanDerWaalsContact CB-C 3.49Å; A373-A805 HydrophobicContact CB-CB 3.78Å; A373-A805 VanDerWaalsContact CB-O 3.31Å; A373-A805 WeakPolarHBondContact CB-O 3.49Å; I801-A805 WeakPolarHBondContact O-CB 3.38Å; I801-A805 PolarHBondContact O-N 2.93Å; L803-A805 PolarHBondContact O-N 3.08Å; A805-V809 VanDerWaalsContact O-CB 3.25Å; A805-V809 WeakPolarHBondContact O-CB 3.49Å; A805-V809 WeakPolarHBondContact O-CG2 3.23Å; A805-V809 PolarHBondContact O-N 3.09Å; A805-V809 VanDerWaalsContact O-N 3.15Å
806	Y	89.7	Confident	88.7	Confident	35 Å²	35	16 Å²	16	14%	0.137	8%	0.076	C	C	.	.	H	α-helix	trans	-71	-42.3	175	-177	-93.1	0	0	0	112.6	Y369 L714 L718 R802 L803 D804 T810 Q811	Y369-Y806 HydrophobicContact CE2-CD2 4.01Å; Y369-Y806 HydrophobicContact CE2-CE2 4Å; L714-Y806 HydrophobicContact CD1-CD1 3.77Å; L714-Y806 HydrophobicContact CD1-CE1 3.95Å; L718-Y806 HydrophobicContact CD2-CE1 4.47Å; R802-Y806 VanDerWaalsContact O-CB 3.26Å; R802-Y806 WeakPolarHBondContact O-CB 3.05Å; R802-Y806 PolarHBondContact O-N 2.94Å; L803-Y806 CarbonylContact O-C 3.55Å; L803-Y806 WeakPolarHBondContact O-CA 3.34Å; L803-Y806 WeakPolarHBondContact O-CB 3.26Å; L803-Y806 PolarHBondContact O-N 3.46Å; L803-Y806 VanDerWaalsContact O-N 3.08Å; D804-Y806 PolarHBondContact O-N 3.48Å; D804-Y806 VanDerWaalsContact O-N 3.16Å; Y806-T810 HydrophobicContact CD2-CG2 4.09Å; Y806-T810 VanDerWaalsContact CE1-OG1 3.32Å; Y806-T810 WeakPolarHBondContact CE1-OG1 3.09Å; Y806-T810 HydrophobicContact CE2-CG2 3.97Å; Y806-T810 VanDerWaalsContact CZ-OG1 3.32Å; Y806-T810 WeakPolarHBondContact O-CB 3.22Å; Y806-T810 PolarHBondContact O-N 3.49Å; Y806-T810 PolarHBondContact O-OG1 3.44Å; Y806-Q811 HydrophobicContact CE1-CG 4.22Å
807	K	88.6	Confident	88.6	Confident	2 Å²	2	15.3 Å²	15.3	1%	0.009	7%	0.073	C	C	.	.	I	π-helix	trans	-56.6	-58.1	174.9	176.2	179.1	69.9	-164.6	0	110.9	E713 E767 L803 D804 V809 T810 Q811 W812	E713-K807 HydrophobicContact CG-CD 4.08Å; E713-K807 WeakPolarHBondContact OE1-CD 3.29Å; E713-K807 VanDerWaalsContact OE1-CE 3.26Å; E713-K807 WeakPolarHBondContact OE1-CE 3.34Å; E713-K807 IonicContact OE1-NZ 2.7Å; E713-K807 PolarHBondContact OE1-NZ 2.93Å; E767-K807 WeakPolarHBondContact OE1-CE 3.46Å; E767-K807 IonicContact OE1-NZ 2.86Å; E767-K807 PolarHBondContact OE1-NZ 3.41Å; E767-K807 IonicContact OE2-NZ 2.92Å; E767-K807 PolarHBondContact OE2-NZ 2.82Å; L803-K807 WeakPolarHBondContact O-CB 3.17Å; L803-K807 PolarHBondContact O-N 2.89Å; D804-K807 WeakPolarHBondContact O-CA 3.16Å; D804-K807 WeakPolarHBondContact O-CB 3.37Å; D804-K807 PolarHBondContact O-N 3.23Å; D804-K807 WeakPolarHBondContact OD1-CE 3.49Å; D804-K807 IonicContact OD1-NZ 3.68Å; D804-K807 PolarHBondContact OD1-NZ 3.14Å; K807-V809 PolarHBondContact O-N 3.35Å; K807-T810 PolarHBondContact O-N 2.95Å; K807-Q811 PolarHBondContact O-N 3.08Å; K807-W812 HydrophobicContact CD-CD2 4.36Å; K807-W812 HydrophobicContact CD-CH2 3.89Å; K807-W812 HydrophobicContact CD-CZ2 3.48Å; K807-W812 VanDerWaalsContact CD-CZ2 3.48Å; K807-W812 HydrophobicContact CD-CZ3 4.45Å; K807-W812 HydrophobicContact CG-CD2 3.81Å; K807-W812 HydrophobicContact CG-CE3 4.28Å; K807-W812 HydrophobicContact CG-CG 4.28Å; K807-W812 HydrophobicContact CG-CH2 4.36Å; K807-W812 HydrophobicContact CG-CZ2 3.88Å; K807-W812 PolarHBondContact O-N 2.99Å
808	F	89.1	Confident	88.3	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-60.2	-39	178.8	-84.2	-83	0	0	0	113.9	F391 I395 F399 M759 L764 D804 W812 P815	F391-F808 HydrophobicContact CE1-CB 4.37Å; F391-F808 HydrophobicContact CE1-CD1 4.46Å; F391-F808 HydrophobicContact CE2-CB 4.48Å; F391-F808 HydrophobicContact CZ-CB 4.01Å; I395-F808 HydrophobicContact CD1-CD1 4.43Å; I395-F808 HydrophobicContact CD1-CE1 3.82Å; I395-F808 HydrophobicContact CG1-CE1 4.26Å; I395-F808 HydrophobicContact CG2-CE1 4.23Å; F399-F808 HydrophobicContact CE2-CD2 4.1Å; F399-F808 HydrophobicContact CE2-CE2 4.17Å; F399-F808 AromaticContact CZ-CD2 3.8Å; F399-F808 HydrophobicContact CZ-CD2 3.8Å; F399-F808 AromaticContact CZ-CE2 3.93Å; F399-F808 HydrophobicContact CZ-CE2 3.93Å; M759-F808 HydrophobicContact SD-CE1 4.3Å; L764-F808 HydrophobicContact CD2-CZ 3.78Å; D804-F808 WeakPolarHBondContact O-CD2 3.26Å; D804-F808 PolarHBondContact O-N 2.81Å; F808-W812 AromaticContact CD1-CE3 3.9Å; F808-W812 HydrophobicContact CD1-CE3 3.9Å; F808-W812 HydrophobicContact CD1-CZ3 4.06Å; F808-W812 HydrophobicContact CD2-CZ3 4.33Å; F808-W812 AromaticContact CE1-CE3 3.88Å; F808-W812 HydrophobicContact CE1-CE3 3.88Å; F808-W812 AromaticContact CE1-CZ3 3.6Å; F808-W812 HydrophobicContact CE1-CZ3 3.6Å; F808-W812 AromaticContact CE2-CZ3 3.91Å; F808-W812 HydrophobicContact CE2-CZ3 3.91Å; F808-W812 HydrophobicContact CG-CE3 4.24Å; F808-W812 HydrophobicContact CG-CZ3 4.4Å; F808-W812 HydrophobicContact CZ-CE3 4.21Å; F808-W812 HydrophobicContact CZ-CH2 4.45Å; F808-W812 AromaticContact CZ-CZ3 3.52Å; F808-W812 HydrophobicContact CZ-CZ3 3.52Å; F808-P815 HydrophobicContact CD1-CG 4.36Å; F808-P815 HydrophobicContact CE1-CG 4.37Å
809	V	89.4	Confident	88	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.006	8%	0.08	C	C	.	.	I	π-helix	trans	-83.4	-28.8	-176.5	175.2	0	0	0	0	112.7	R365 L368 Y369 W372 A373 F391 A805 K807	R365-V809 HydrophobicContact CG-CG1 4.13Å; R365-V809 PolarHBondContact NE-O 2.61Å; R365-V809 PolarHBondContact NH2-O 2.94Å; L368-V809 HydrophobicContact CB-CG2 4.33Å; Y369-V809 HydrophobicContact CD2-CG1 4.14Å; W372-V809 HydrophobicContact CE3-CG2 4.2Å; W372-V809 HydrophobicContact CZ3-CG2 3.83Å; A373-V809 HydrophobicContact CB-CB 4.29Å; A373-V809 HydrophobicContact CB-CG2 4.2Å; F391-V809 HydrophobicContact CE2-CG2 4.1Å; F391-V809 HydrophobicContact CZ-CG2 4.05Å; A805-V809 VanDerWaalsContact O-CB 3.25Å; A805-V809 WeakPolarHBondContact O-CB 3.49Å; A805-V809 WeakPolarHBondContact O-CG2 3.23Å; A805-V809 PolarHBondContact O-N 3.09Å; A805-V809 VanDerWaalsContact O-N 3.15Å; K807-V809 PolarHBondContact O-N 3.35Å
810	T	86.6	Confident	87.7	Confident	5 Å²	5	13.2 Å²	13.2	3%	0.031	7%	0.068	C	C	.	.	I	π-helix	trans	-126.3	-26.7	-166.4	75.5	0	0	0	0	117.6	Y350 Y369 Y806 K807	Y350-T810 HydrophobicContact CD1-CG2 4.49Å; Y350-T810 HydrophobicContact CD2-CG2 3.69Å; Y350-T810 HydrophobicContact CE2-CG2 3.87Å; Y350-T810 HydrophobicContact CG-CG2 4.03Å; Y369-T810 HydrophobicContact CD2-CG2 3.75Å; Y369-T810 HydrophobicContact CE2-CG2 3.73Å; Y806-T810 HydrophobicContact CD2-CG2 4.09Å; Y806-T810 VanDerWaalsContact CE1-OG1 3.32Å; Y806-T810 WeakPolarHBondContact CE1-OG1 3.09Å; Y806-T810 HydrophobicContact CE2-CG2 3.97Å; Y806-T810 VanDerWaalsContact CZ-OG1 3.32Å; Y806-T810 WeakPolarHBondContact O-CB 3.22Å; Y806-T810 PolarHBondContact O-N 3.49Å; Y806-T810 PolarHBondContact O-OG1 3.44Å; K807-T810 PolarHBondContact O-N 2.95Å
811	Q	87.3	Confident	87.4	Confident	6 Å²	6	14 Å²	14	3%	0.028	7%	0.074	C	C	.	.	I	π-helix	trans	-108.5	-31.1	-173.3	-59.1	-46.5	-49.5	0	0	114.3	P717 L718 N721 Q757 Y806 K807	P717-Q811 HydrophobicContact CB-CB 4.2Å; L718-Q811 HydrophobicContact CD2-CG 4.38Å; N721-Q811 PolarHBondContact ND2-O 3.4Å; N721-Q811 VanDerWaalsContact ND2-O 3.16Å; N721-Q811 PolarHBondContact ND2-OE1 3.07Å; Q757-Q811 PolarHBondContact N-O 3.44Å; Y806-Q811 HydrophobicContact CE1-CG 4.22Å; K807-Q811 PolarHBondContact O-N 3.08Å
812	W	87.8	Confident	87.2	Confident	15 Å²	15	15.5 Å²	15.5	6%	0.057	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-91.3	155.8	176.1	-68.7	-8.4	0	0	0	112.3	H346 L756 Q757 M759 E767 K807 F808	H346-W812 PolarHBondContact NE2-O 2.98Å; L756-W812 WeakPolarHBondContact CD1-O 3.48Å; Q757-W812 CarbonylContact O-C 3.52Å; Q757-W812 WeakPolarHBondContact O-CA 3.27Å; M759-W812 HydrophobicContact CB-CD2 4.47Å; M759-W812 HydrophobicContact CB-CE3 4.17Å; M759-W812 HydrophobicContact CB-CZ3 4.37Å; M759-W812 HydrophobicContact CG-CE3 3.89Å; M759-W812 HydrophobicContact CG-CH2 3.98Å; M759-W812 HydrophobicContact CG-CZ3 3.61Å; M759-W812 HydrophobicContact SD-CE3 4.3Å; M759-W812 HydrophobicContact SD-CZ3 3.9Å; E767-W812 VanDerWaalsContact OE1-CH2 3.25Å; E767-W812 WeakPolarHBondContact OE1-CH2 3.42Å; K807-W812 HydrophobicContact CD-CD2 4.36Å; K807-W812 HydrophobicContact CD-CH2 3.89Å; K807-W812 HydrophobicContact CD-CZ2 3.48Å; K807-W812 VanDerWaalsContact CD-CZ2 3.48Å; K807-W812 HydrophobicContact CD-CZ3 4.45Å; K807-W812 HydrophobicContact CG-CD2 3.81Å; K807-W812 HydrophobicContact CG-CE3 4.28Å; K807-W812 HydrophobicContact CG-CG 4.28Å; K807-W812 HydrophobicContact CG-CH2 4.36Å; K807-W812 HydrophobicContact CG-CZ2 3.88Å; K807-W812 PolarHBondContact O-N 2.99Å; F808-W812 AromaticContact CD1-CE3 3.9Å; F808-W812 HydrophobicContact CD1-CE3 3.9Å; F808-W812 HydrophobicContact CD1-CZ3 4.06Å; F808-W812 HydrophobicContact CD2-CZ3 4.33Å; F808-W812 AromaticContact CE1-CE3 3.88Å; F808-W812 HydrophobicContact CE1-CE3 3.88Å; F808-W812 AromaticContact CE1-CZ3 3.6Å; F808-W812 HydrophobicContact CE1-CZ3 3.6Å; F808-W812 AromaticContact CE2-CZ3 3.91Å; F808-W812 HydrophobicContact CE2-CZ3 3.91Å; F808-W812 HydrophobicContact CG-CE3 4.24Å; F808-W812 HydrophobicContact CG-CZ3 4.4Å; F808-W812 HydrophobicContact CZ-CE3 4.21Å; F808-W812 HydrophobicContact CZ-CH2 4.45Å; F808-W812 AromaticContact CZ-CZ3 3.52Å; F808-W812 HydrophobicContact CZ-CZ3 3.52Å
813	R	89.1	Confident	86.9	Confident	31 Å²	31	15.4 Å²	15.4	12%	0.117	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-64.9	155.3	160.3	-66.5	174	-167.2	172.1	0.8	109.6	D753 W754 L756 Q757 P815	D753-R813 VanDerWaalsContact O-CG 3.29Å; D753-R813 WeakPolarHBondContact O-CG 3.38Å; D753-R813 PolarHBondContact O-NE 3.38Å; W754-R813 VanDerWaalsContact CZ3-NH2 3.31Å; W754-R813 PolarHBondContact O-NH2 2.89Å; L756-R813 HydrophobicContact CB-CG 3.97Å; L756-R813 PolarHBondContact O-NE 3.37Å; L756-R813 PolarHBondContact O-NH2 3.02Å; Q757-R813 WeakPolarHBondContact O-CG 3.41Å; Q757-R813 PolarHBondContact O-N 2.87Å; R813-P815 VanDerWaalsContact O-CD 3.28Å; R813-P815 WeakPolarHBondContact O-CD 3.43Å; R813-P815 VanDerWaalsContact O-N 3.12Å
814	R	89.9	Confident	86.7	Confident	9 Å²	9	16.1 Å²	16.1	3%	0.034	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-58.5	117	175.9	-169.2	-178.9	-168.4	156.4	8.6	109	P344 P345 H346 E347 Y390	P344-R814 HydrophobicContact CG-CB 4.26Å; P344-R814 HydrophobicContact CG-CG 4.28Å; P345-R814 WeakPolarHBondContact O-CD 3.5Å; P345-R814 PolarHBondContact O-NH1 3.26Å; P345-R814 VanDerWaalsContact O-NH1 3.13Å; H346-R814 PolarHBondContact NE2-N 3.13Å; E347-R814 IonicContact OE1-CZ 3.98Å; E347-R814 IonicContact OE1-NH1 2.77Å; E347-R814 PolarHBondContact OE1-NH1 3.08Å; E347-R814 IonicContact OE1-NH2 2.73Å; E347-R814 PolarHBondContact OE1-NH2 3.45Å; Y390-R814 PolarHBondContact O-NE 3.34Å; Y390-R814 PolarHBondContact O-NH2 3.39Å
815	P	88.8	Confident	86.7	Confident	8 Å²	8	18.7 Å²	18.7	5%	0.052	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-67.3	162.7	173.4	30.2	-35.3	0	0	0	109.9	F391 I395 M759 F808 R813 P817	F391-P815 HydrophobicContact CD1-CG 3.88Å; F391-P815 HydrophobicContact CE1-CG 4.4Å; I395-P815 HydrophobicContact CD1-CB 4.02Å; I395-P815 HydrophobicContact CD1-CG 3.4Å; I395-P815 VanDerWaalsContact CD1-CG 3.4Å; M759-P815 HydrophobicContact CE-CB 3.64Å; M759-P815 HydrophobicContact SD-CB 3.73Å; M759-P815 HydrophobicContact SD-CG 4.47Å; F808-P815 HydrophobicContact CD1-CG 4.36Å; F808-P815 HydrophobicContact CE1-CG 4.37Å; R813-P815 VanDerWaalsContact O-CD 3.28Å; R813-P815 WeakPolarHBondContact O-CD 3.43Å; R813-P815 VanDerWaalsContact O-N 3.12Å; P815-P817 WeakPolarHBondContact O-CD 3.26Å
816	M	86.5	Confident	86.7	Confident	48 Å²	48	19.1 Å²	19.1	24%	0.236	11%	0.105	C	C	.	.			trans	-77.8	111.6	179.6	-165.4	54.9	-112.5	0	0	109.6	Y169 R310 H313 P344 A818	Y169-M816 HydrophobicContact CE2-SD 3.85Å; R310-M816 HydrophobicContact CB-CE 3.97Å; H313-M816 HydrophobicContact CB-CE 4.29Å; H313-M816 HydrophobicContact CB-CG 4.34Å; H313-M816 HydrophobicContact CB-SD 3.73Å; P344-M816 HydrophobicContact CG-SD 4.3Å; M816-A818 PolarHBondContact O-N 3.02Å
817	P	86.7	Confident	86.7	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.013	10%	0.104	C	C	.	.			trans	-53.6	111.8	174.5	14.1	-29.7	0	0	0	112.9	R310 F391 P815	R310-P817 WeakPolarHBondContact CD-O 3.43Å; F391-P817 VanDerWaalsContact O-CA 3.31Å; F391-P817 WeakPolarHBondContact O-CA 3.25Å; P815-P817 WeakPolarHBondContact O-CD 3.26Å
818	A	82.6	Confident	86.9	Confident	39 Å²	39	20.6 Å²	20.6	32%	0.322	12%	0.124	S	C	.	.			trans	-114.8	151.7	177.6	0	0	0	0	0	110.8	E393 K394 M816	E393-A818 PolarHBondContact N-O 3.08Å; K394-A818 HydrophobicContact CB-CB 4.47Å; K394-A818 WeakPolarHBondContact CB-O 3.48Å; K394-A818 HydrophobicContact CD-CB 4.09Å; K394-A818 PolarHBondContact N-O 2.89Å; M816-A818 PolarHBondContact O-N 3.02Å
819	R	82.6	Confident	87	Confident	29 Å²	29	21 Å²	21	11%	0.109	13%	0.126	C	C	.	.			trans	-83	154.2	170.3	-79.8	176.5	169.4	-179.2	-21.2	110.9	E393 L506 W509 E513	E393-R819 HydrophobicContact CG-CG 4.23Å; E393-R819 WeakPolarHBondContact OE1-CG 3.44Å; E393-R819 IonicContact OE1-CZ 2.72Å; E393-R819 IonicContact OE1-NE 3.25Å; E393-R819 PolarHBondContact OE1-NE 3.43Å; E393-R819 IonicContact OE1-NH2 2.69Å; L506-R819 HydrophobicContact CD2-CB 4.14Å; L506-R819 HydrophobicContact CD2-CG 3.87Å; W509-R819 HydrophobicContact CD2-CB 4.1Å; W509-R819 HydrophobicContact CE3-CB 4.46Å; W509-R819 HydrophobicContact CH2-CB 4.02Å; W509-R819 HydrophobicContact CZ2-CB 3.61Å; W509-R819 HydrophobicContact CZ3-CB 4.42Å; E513-R819 IonicContact OE1-CZ 2.83Å; E513-R819 IonicContact OE1-NH1 2.6Å; E513-R819 PolarHBondContact OE1-NH1 2.78Å; E513-R819 IonicContact OE2-CZ 2.97Å; E513-R819 IonicContact OE2-NH1 2.98Å; E513-R819 PolarHBondContact OE2-NH1 3.24Å
820	A	82.4	Confident	87.2	Confident	17 Å²	17	20.9 Å²	20.9	14%	0.14	13%	0.126	C	C	.	.			trans	-157.7	128.1	167.9	0	0	0	0	0	107.8	K394 L506	K394-A820 HydrophobicContact CB-CB 3.88Å; K394-A820 HydrophobicContact CD-CB 4.4Å; K394-A820 HydrophobicContact CG-CB 3.87Å; L506-A820 WeakPolarHBondContact CD1-O 3.44Å
821	T	81.8	Confident	87.3	Confident	22 Å²	22	24.4 Å²	24.4	14%	0.135	14%	0.142	C	C	.	.	S	Bend	trans	-67	-39.3	174.2	37.3	0	0	0	0	111.7	T501 W509 E510	T501-T821 PolarHBondContact OG1-O 3.39Å; T501-T821 VanDerWaalsContact OG1-O 3.11Å; W509-T821 HydrophobicContact CB-CG2 4.22Å; W509-T821 HydrophobicContact CE3-CG2 4.18Å; E510-T821 HydrophobicContact CB-CG2 4.06Å; E510-T821 WeakPolarHBondContact OE2-CB 3.4Å; E510-T821 PolarHBondContact OE2-OG1 2.86Å
822	D	84.3	Confident	87.6	Confident	41 Å²	41	26.1 Å²	26.1	22%	0.219	16%	0.161	C	C	.	.	S	Bend	trans	-144.2	-167.5	179.6	86.5	-22.4	0	0	0	114	L397 R497 G824	L397-D822 VanDerWaalsContact CD2-O 3.25Å; L397-D822 WeakPolarHBondContact CD2-O 3.45Å; R497-D822 VanDerWaalsContact CD-CB 3.41Å; R497-D822 VanDerWaalsContact NH1-CB 3.33Å; R497-D822 IonicContact NH1-OD2 3.5Å; R497-D822 PolarHBondContact NH1-OD2 3.49Å; D822-G824 VanDerWaalsContact CG-N 3.34Å; D822-G824 PolarHBondContact O-N 2.79Å; D822-G824 VanDerWaalsContact OD1-CA 3.28Å; D822-G824 WeakPolarHBondContact OD1-CA 3.47Å; D822-G824 PolarHBondContact OD1-N 3.35Å
823	I	83.8	Confident	87.8	Confident	9 Å²	9	25.5 Å²	25.5	5%	0.046	16%	0.159	C	C	.	.			trans	-85.1	10.6	178.1	65.6	173.2	0	0	0	112.7	L397 W401 W493 Y768 W826 H827 L830	L397-I823 HydrophobicContact CD2-CG2 3.91Å; L397-I823 HydrophobicContact CG-CG2 4.09Å; W401-I823 HydrophobicContact CB-CG2 4.44Å; W493-I823 HydrophobicContact CZ2-CG2 4Å; Y768-I823 HydrophobicContact CE1-CB 4.24Å; Y768-I823 HydrophobicContact CE1-CG2 4.15Å; Y768-I823 WeakPolarHBondContact OH-CG2 3.3Å; I823-W826 HydrophobicContact CD1-CB 4.01Å; I823-W826 HydrophobicContact CG1-CB 4.16Å; I823-H827 HydrophobicContact CD1-CB 4.13Å; I823-H827 HydrophobicContact CG1-CB 4.1Å; I823-L830 HydrophobicContact CD1-CD1 4.31Å
824	G	84.4	Confident	87.9	Confident	20 Å²	20	24.8 Å²	24.8	21%	0.206	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-149.5	-173.6	0	0	0	0	0	113.7	D822 W826 H827	D822-G824 VanDerWaalsContact CG-N 3.34Å; D822-G824 PolarHBondContact O-N 2.79Å; D822-G824 VanDerWaalsContact OD1-CA 3.28Å; D822-G824 WeakPolarHBondContact OD1-CA 3.47Å; D822-G824 PolarHBondContact OD1-N 3.35Å; G824-W826 PolarHBondContact O-N 3.44Å; G824-H827 PolarHBondContact O-N 3.25Å; G824-H827 VanDerWaalsContact O-N 3.17Å
825	I	88.9	Confident	87.9	Confident	53 Å²	53	26.8 Å²	26.8	27%	0.272	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-21.3	-176.7	-168.1	58.3	0	0	0	114.3	N638 A641 L642 H827 G828 I829	N638-I825 HydrophobicContact CB-CB 4.23Å; N638-I825 HydrophobicContact CB-CG2 4.3Å; N638-I825 WeakPolarHBondContact OD1-CB 3.44Å; N638-I825 WeakPolarHBondContact OD1-CG2 3.39Å; N638-I825 PolarHBondContact OD1-N 3.25Å; A641-I825 HydrophobicContact CB-CG2 3.79Å; L642-I825 HydrophobicContact CB-CG1 4.43Å; L642-I825 HydrophobicContact CD1-CG1 4.39Å; I825-H827 PolarHBondContact O-N 2.85Å; I825-G828 PolarHBondContact O-N 3.16Å; I825-G828 VanDerWaalsContact O-N 3.11Å; I825-I829 HydrophobicContact CB-CD1 4.49Å; I825-I829 HydrophobicContact CG1-CD1 3.97Å; I825-I829 HydrophobicContact CG1-CG1 4.2Å; I825-I829 HydrophobicContact CG2-CD1 4.02Å; I825-I829 WeakPolarHBondContact O-CG1 3.31Å; I825-I829 PolarHBondContact O-N 3.23Å
826	W	91	Very high	88.1	Confident	9 Å²	9	29.1 Å²	29.1	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-56.2	-30.9	177.1	-63.8	124	0	0	0	113.8	A641 F645 V765 Y768 L769 V772 I823 G824 I829 L830	A641-W826 HydrophobicContact CB-CH2 4.26Å; A641-W826 HydrophobicContact CB-CZ2 3.78Å; F645-W826 HydrophobicContact CB-CZ3 4.21Å; V765-W826 HydrophobicContact CG1-CZ2 4Å; Y768-W826 VanDerWaalsContact CB-NE1 3.25Å; Y768-W826 AromaticContact CD1-CD1 3.99Å; Y768-W826 HydrophobicContact CD1-CG 4.38Å; Y768-W826 AromaticContact CD2-CD1 3.75Å; Y768-W826 AromaticContact CD2-NE1 3.64Å; Y768-W826 AromaticContact CG-CD1 3.57Å; Y768-W826 HydrophobicContact CG-CG 4.22Å; Y768-W826 AromaticContact CG-NE1 3.57Å; L769-W826 HydrophobicContact CB-CH2 3.69Å; L769-W826 HydrophobicContact CB-CZ2 4.16Å; L769-W826 HydrophobicContact CD1-CH2 3.72Å; L769-W826 HydrophobicContact CD1-CZ3 4.24Å; L769-W826 HydrophobicContact CG-CH2 4.31Å; V772-W826 HydrophobicContact CB-CE3 4.14Å; V772-W826 HydrophobicContact CB-CZ3 4.31Å; V772-W826 HydrophobicContact CG1-CE3 4.1Å; V772-W826 HydrophobicContact CG1-CZ3 4.32Å; V772-W826 HydrophobicContact CG2-CD2 4.42Å; V772-W826 HydrophobicContact CG2-CE3 3.95Å; I823-W826 HydrophobicContact CD1-CB 4.01Å; I823-W826 HydrophobicContact CG1-CB 4.16Å; G824-W826 PolarHBondContact O-N 3.44Å; W826-I829 HydrophobicContact CD2-CD1 4.38Å; W826-I829 HydrophobicContact CE3-CB 4.35Å; W826-I829 HydrophobicContact CE3-CD1 3.6Å; W826-I829 HydrophobicContact CE3-CG2 4.25Å; W826-I829 HydrophobicContact CZ3-CD1 3.78Å; W826-I829 HydrophobicContact CZ3-CG2 4.47Å; W826-I829 PolarHBondContact O-N 3.06Å; W826-L830 WeakPolarHBondContact O-CB 3.49Å; W826-L830 WeakPolarHBondContact O-CD1 3.36Å; W826-L830 VanDerWaalsContact O-CG 3.23Å; W826-L830 WeakPolarHBondContact O-CG 3.43Å; W826-L830 PolarHBondContact O-N 3.48Å
827	H	90	Very high	88.4	Confident	26 Å²	26	27.2 Å²	27.2	12%	0.12	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-46.3	175.3	-174.5	60.9	0	0	0	112.1	L490 W493 K494 I823 G824 I825 L830 E831	L490-H827 PolarHBondContact O-NE2 2.93Å; W493-H827 AromaticContact CD1-CE1 3.75Å; K494-H827 WeakPolarHBondContact CG-NE2 3.37Å; I823-H827 HydrophobicContact CD1-CB 4.13Å; I823-H827 HydrophobicContact CG1-CB 4.1Å; G824-H827 PolarHBondContact O-N 3.25Å; G824-H827 VanDerWaalsContact O-N 3.17Å; I825-H827 PolarHBondContact O-N 2.85Å; H827-L830 PolarHBondContact O-N 3.29Å; H827-E831 PolarHBondContact O-N 3.3Å
828	G	91.4	Very high	88.7	Confident	42 Å²	42	27.5 Å²	27.5	43%	0.433	18%	0.179	S	C	.	.	H	α-helix	trans	-67.8	-34.4	176.6	0	0	0	0	0	112.9	I825 E831 G832	I825-G828 PolarHBondContact O-N 3.16Å; I825-G828 VanDerWaalsContact O-N 3.11Å; G828-E831 PolarHBondContact O-N 3.11Å; G828-G832 PolarHBondContact O-N 3.3Å
829	I	92.8	Very high	89.2	Confident	8 Å²	8	27.9 Å²	27.9	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-47	172.8	-70.5	167.1	0	0	0	110.7	L642 F645 V772 I825 W826 E831 G832 I833	L642-I829 HydrophobicContact CD1-CD1 4.43Å; L642-I829 HydrophobicContact CD1-CG1 4.42Å; F645-I829 HydrophobicContact CB-CD1 3.93Å; F645-I829 HydrophobicContact CD1-CD1 4.15Å; F645-I829 HydrophobicContact CD1-CG1 4.05Å; F645-I829 HydrophobicContact CD1-CG2 3.92Å; F645-I829 HydrophobicContact CD2-CG2 3.5Å; F645-I829 HydrophobicContact CE1-CG1 4.47Å; F645-I829 HydrophobicContact CE1-CG2 3.87Å; F645-I829 HydrophobicContact CE2-CG2 3.48Å; F645-I829 VanDerWaalsContact CE2-CG2 3.48Å; F645-I829 HydrophobicContact CG-CD1 3.94Å; F645-I829 HydrophobicContact CG-CG1 4.24Å; F645-I829 HydrophobicContact CG-CG2 3.75Å; F645-I829 HydrophobicContact CZ-CG2 3.67Å; V772-I829 HydrophobicContact CG1-CG2 3.7Å; I825-I829 HydrophobicContact CB-CD1 4.49Å; I825-I829 HydrophobicContact CG1-CD1 3.97Å; I825-I829 HydrophobicContact CG1-CG1 4.2Å; I825-I829 HydrophobicContact CG2-CD1 4.02Å; I825-I829 WeakPolarHBondContact O-CG1 3.31Å; I825-I829 PolarHBondContact O-N 3.23Å; W826-I829 HydrophobicContact CD2-CD1 4.38Å; W826-I829 HydrophobicContact CE3-CB 4.35Å; W826-I829 HydrophobicContact CE3-CD1 3.6Å; W826-I829 HydrophobicContact CE3-CG2 4.25Å; W826-I829 HydrophobicContact CZ3-CD1 3.78Å; W826-I829 HydrophobicContact CZ3-CG2 4.47Å; W826-I829 PolarHBondContact O-N 3.06Å; I829-E831 VanDerWaalsContact C-N 3.35Å; I829-E831 PolarHBondContact O-N 3.25Å; I829-G832 PolarHBondContact O-N 3.15Å; I829-I833 HydrophobicContact CG2-CD1 3.94Å; I829-I833 WeakPolarHBondContact O-CG1 3.46Å; I829-I833 PolarHBondContact O-N 2.77Å
830	L	91.8	Very high	89.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-40.3	177.1	-74.9	165.5	0	0	0	112.3	W401 L490 V772 F776 I823 W826 H827 I833 G834	W401-L830 HydrophobicContact CZ2-CD1 3.91Å; W401-L830 HydrophobicContact CZ2-CD2 4.5Å; L490-L830 HydrophobicContact CD2-CB 3.79Å; L490-L830 HydrophobicContact CD2-CD1 4.23Å; V772-L830 HydrophobicContact CB-CD2 4.43Å; V772-L830 HydrophobicContact CG1-CD2 3.95Å; V772-L830 HydrophobicContact CG1-CG 4.24Å; V772-L830 HydrophobicContact CG2-CD1 4.48Å; V772-L830 HydrophobicContact CG2-CD2 4.05Å; V772-L830 HydrophobicContact CG2-CG 4.19Å; F776-L830 HydrophobicContact CB-CD2 3.91Å; F776-L830 HydrophobicContact CD1-CD2 3.31Å; F776-L830 HydrophobicContact CD2-CD2 4.05Å; F776-L830 HydrophobicContact CE1-CB 4.47Å; F776-L830 HydrophobicContact CE1-CD2 3.73Å; F776-L830 HydrophobicContact CE2-CD2 4.42Å; F776-L830 HydrophobicContact CG-CD2 3.48Å; F776-L830 VanDerWaalsContact CG-CD2 3.48Å; F776-L830 HydrophobicContact CZ-CD2 4.27Å; I823-L830 HydrophobicContact CD1-CD1 4.31Å; W826-L830 WeakPolarHBondContact O-CB 3.49Å; W826-L830 WeakPolarHBondContact O-CD1 3.36Å; W826-L830 VanDerWaalsContact O-CG 3.23Å; W826-L830 WeakPolarHBondContact O-CG 3.43Å; W826-L830 PolarHBondContact O-N 3.48Å; H827-L830 PolarHBondContact O-N 3.29Å; L830-I833 PolarHBondContact O-N 2.8Å; L830-G834 PolarHBondContact O-N 2.87Å
831	E	90.6	Very high	90.2	Very high	79 Å²	79	26.2 Å²	26.2	37%	0.369	17%	0.166	S	C	.	.	H	α-helix	trans	-64.3	-42.9	173.6	177	163.4	-153.5	0	0	112	L490 H827 G828 I829 I833 G834 V835 K944	L490-E831 HydrophobicContact CD1-CB 4.35Å; H827-E831 PolarHBondContact O-N 3.3Å; G828-E831 PolarHBondContact O-N 3.11Å; I829-E831 VanDerWaalsContact C-N 3.35Å; I829-E831 PolarHBondContact O-N 3.25Å; E831-I833 PolarHBondContact O-N 3.29Å; E831-G834 WeakPolarHBondContact O-CA 3.38Å; E831-G834 PolarHBondContact O-N 3.34Å; E831-G834 VanDerWaalsContact O-N 3.11Å; E831-V835 PolarHBondContact O-N 2.83Å; E831-K944 IonicContact OE1-NZ 3.54Å; E831-K944 PolarHBondContact OE1-NZ 3.14Å
832	G	91.8	Very high	90.7	Very high	41 Å²	41	25.1 Å²	25.1	42%	0.423	16%	0.16	S	C	.	.	H	α-helix	trans	-60.7	-42.2	175.8	0	0	0	0	0	112.9	G828 I829 G834 V835 L836	G828-G832 PolarHBondContact O-N 3.3Å; I829-G832 PolarHBondContact O-N 3.15Å; G832-G834 VanDerWaalsContact C-N 3.34Å; G832-V835 PolarHBondContact O-N 3.31Å; G832-L836 WeakPolarHBondContact O-CB 3.41Å; G832-L836 PolarHBondContact O-N 3.21Å
833	I	92.1	Very high	91.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-44.6	171.2	-67.7	164.3	0	0	0	110.3	F645 V772 F776 I781 I829 L830 E831 V835 L836 A837	F645-I833 HydrophobicContact CE2-CD1 3.87Å; F645-I833 HydrophobicContact CE2-CG1 4.24Å; F645-I833 HydrophobicContact CZ-CD1 4.16Å; F645-I833 HydrophobicContact CZ-CG1 4.04Å; V772-I833 HydrophobicContact CG1-CD1 3.61Å; F776-I833 HydrophobicContact CD1-CB 4.21Å; F776-I833 HydrophobicContact CD1-CD1 4.35Å; F776-I833 HydrophobicContact CD1-CG2 3.69Å; F776-I833 HydrophobicContact CE1-CB 4.08Å; F776-I833 HydrophobicContact CE1-CG2 3.73Å; I781-I833 HydrophobicContact CD1-CG2 4.03Å; I781-I833 HydrophobicContact CG1-CG2 4Å; I829-I833 HydrophobicContact CG2-CD1 3.94Å; I829-I833 WeakPolarHBondContact O-CG1 3.46Å; I829-I833 PolarHBondContact O-N 2.77Å; L830-I833 PolarHBondContact O-N 2.8Å; E831-I833 PolarHBondContact O-N 3.29Å; I833-V835 VanDerWaalsContact C-N 3.31Å; I833-V835 PolarHBondContact O-N 2.78Å; I833-L836 CarbonylContact O-C 3.54Å; I833-L836 PolarHBondContact O-N 3.46Å; I833-A837 VanDerWaalsContact O-CB 3.29Å; I833-A837 WeakPolarHBondContact O-CB 3.37Å; I833-A837 PolarHBondContact O-N 3.45Å
834	G	91	Very high	91.5	Very high	15 Å²	15	26.4 Å²	26.4	16%	0.155	16%	0.163	C	C	.	.	H	α-helix	trans	-58.6	-39.2	177.3	0	0	0	0	0	113.5	L830 E831 G832 V838	L830-G834 PolarHBondContact O-N 2.87Å; E831-G834 WeakPolarHBondContact O-CA 3.38Å; E831-G834 PolarHBondContact O-N 3.34Å; E831-G834 VanDerWaalsContact O-N 3.11Å; G832-G834 VanDerWaalsContact C-N 3.34Å; G834-V838 PolarHBondContact O-N 3.19Å
835	V	91.4	Very high	91.8	Very high	51 Å²	51	25.7 Å²	25.7	31%	0.309	16%	0.155	S	C	.	.	H	α-helix	trans	-67.7	-47.7	173.7	173.1	0	0	0	0	111.2	E831 G832 I833 A837 V838 I839 F941	E831-V835 PolarHBondContact O-N 2.83Å; G832-V835 PolarHBondContact O-N 3.31Å; I833-V835 VanDerWaalsContact C-N 3.31Å; I833-V835 PolarHBondContact O-N 2.78Å; V835-A837 PolarHBondContact O-N 3.37Å; V835-V838 PolarHBondContact O-N 2.95Å; V835-I839 HydrophobicContact CG1-CD1 4.36Å; V835-I839 PolarHBondContact O-N 2.74Å; V835-F941 HydrophobicContact CB-CE1 4.43Å; V835-F941 HydrophobicContact CG1-CE1 4.03Å; V835-F941 HydrophobicContact CG1-CZ 3.86Å; V835-F941 HydrophobicContact CG2-CE1 4.44Å
836	L	92.1	Very high	91.9	Very high	58 Å²	58	23.1 Å²	23.1	30%	0.304	14%	0.142	S	C	.	.	H	α-helix	trans	-64.9	-29.1	179.5	-176.5	57.3	0	0	0	112.4	F649 G832 I833 T840	F649-L836 HydrophobicContact CE1-CD2 4.01Å; F649-L836 HydrophobicContact CE2-CD2 4.11Å; F649-L836 HydrophobicContact CZ-CD2 3.39Å; G832-L836 WeakPolarHBondContact O-CB 3.41Å; G832-L836 PolarHBondContact O-N 3.21Å; I833-L836 CarbonylContact O-C 3.54Å; I833-L836 PolarHBondContact O-N 3.46Å; L836-T840 VanDerWaalsContact O-CB 3.3Å; L836-T840 WeakPolarHBondContact O-CB 3.35Å; L836-T840 PolarHBondContact O-N 3.18Å; L836-T840 PolarHBondContact O-OG1 3.2Å
837	A	92.6	Very high	91.8	Very high	7 Å²	7	25.5 Å²	25.5	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-68	-39.1	176.7	0	0	0	0	0	112.5	I781 I833 V835 T840 N841	I781-A837 HydrophobicContact CG1-CB 4.25Å; I833-A837 VanDerWaalsContact O-CB 3.29Å; I833-A837 WeakPolarHBondContact O-CB 3.37Å; I833-A837 PolarHBondContact O-N 3.45Å; V835-A837 PolarHBondContact O-N 3.37Å; A837-T840 PolarHBondContact O-N 3.13Å; A837-N841 WeakPolarHBondContact O-CB 3.43Å; A837-N841 PolarHBondContact O-N 2.91Å; A837-N841 PolarHBondContact O-ND2 2.96Å
838	V	92.7	Very high	91.7	Very high	8 Å²	8	24.7 Å²	24.7	5%	0.048	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-50.9	175.1	176	0	0	0	0	110.4	A483 G834 V835 A842 V940 F941	A483-V838 HydrophobicContact CB-CG2 4.04Å; G834-V838 PolarHBondContact O-N 3.19Å; V835-V838 PolarHBondContact O-N 2.95Å; V838-A842 WeakPolarHBondContact O-CB 3.31Å; V838-A842 PolarHBondContact O-N 3.16Å; V838-A842 VanDerWaalsContact O-N 3.1Å; V838-V940 HydrophobicContact CB-CG1 4.29Å; V838-V940 HydrophobicContact CG1-CB 3.85Å; V838-V940 HydrophobicContact CG1-CG1 3.67Å; V838-V940 HydrophobicContact CG2-CG1 3.59Å; V838-F941 HydrophobicContact CB-CE1 3.9Å; V838-F941 HydrophobicContact CB-CZ 3.98Å; V838-F941 HydrophobicContact CG1-CD1 4.43Å; V838-F941 HydrophobicContact CG1-CE1 4.06Å; V838-F941 HydrophobicContact CG1-CE2 4.35Å; V838-F941 HydrophobicContact CG1-CZ 4.01Å; V838-F941 HydrophobicContact CG2-CE1 4.01Å
839	I	93.5	Very high	91.5	Very high	48 Å²	48	22.9 Å²	22.9	25%	0.246	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-48.8	179	-60.8	169.5	0	0	0	110.3	V835 A842 F843 F941	V835-I839 HydrophobicContact CG1-CD1 4.36Å; V835-I839 PolarHBondContact O-N 2.74Å; I839-A842 WeakPolarHBondContact O-CB 3.43Å; I839-A842 PolarHBondContact O-N 3.45Å; I839-F843 HydrophobicContact CG2-CD2 3.8Å; I839-F843 HydrophobicContact CG2-CE2 3.69Å; I839-F843 VanDerWaalsContact O-CD2 3.28Å; I839-F843 WeakPolarHBondContact O-CD2 3.41Å; I839-F843 PolarHBondContact O-N 3.39Å; I839-F843 VanDerWaalsContact O-N 3.09Å; I839-F941 HydrophobicContact CD1-CZ 4.34Å; I839-F941 HydrophobicContact CG1-CE2 4.32Å; I839-F941 HydrophobicContact CG1-CZ 4.05Å
840	T	93.2	Very high	91.2	Very high	4 Å²	4	23 Å²	23	3%	0.025	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-46.1	-177.1	-53	0	0	0	0	112.1	F657 F661 I781 F782 L836 A837 A842 F843 V844	F657-T840 HydrophobicContact CE1-CG2 3.76Å; F661-T840 HydrophobicContact CE2-CG2 4.31Å; F661-T840 HydrophobicContact CZ-CG2 3.97Å; I781-T840 HydrophobicContact CG2-CG2 3.63Å; I781-T840 WeakPolarHBondContact O-CB 3.2Å; I781-T840 VanDerWaalsContact O-CG2 3.3Å; I781-T840 WeakPolarHBondContact O-CG2 3.03Å; F782-T840 HydrophobicContact CD1-CG2 4.02Å; F782-T840 HydrophobicContact CE1-CG2 3.84Å; F782-T840 HydrophobicContact CZ-CG2 4.45Å; L836-T840 VanDerWaalsContact O-CB 3.3Å; L836-T840 WeakPolarHBondContact O-CB 3.35Å; L836-T840 PolarHBondContact O-N 3.18Å; L836-T840 PolarHBondContact O-OG1 3.2Å; A837-T840 PolarHBondContact O-N 3.13Å; T840-A842 VanDerWaalsContact C-N 3.33Å; T840-A842 PolarHBondContact O-N 3.43Å; T840-F843 PolarHBondContact O-N 2.92Å; T840-V844 HydrophobicContact CG2-CG2 4.35Å; T840-V844 WeakPolarHBondContact O-CG2 3.44Å; T840-V844 PolarHBondContact O-N 3.33Å
841	N	92.5	Very high	91	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.032	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-36.5	178.1	-73.4	-71.9	0	0	0	112	A479 T780 I781 V783 A784 A837 F843 V844 I845	A479-N841 HydrophobicContact CB-CB 4.29Å; T780-N841 PolarHBondContact O-ND2 2.03Å; I781-N841 PolarHBondContact O-ND2 3.46Å; V783-N841 PolarHBondContact N-OD1 3.15Å; A784-N841 HydrophobicContact CB-CB 4.31Å; A784-N841 VanDerWaalsContact CB-OD1 3.28Å; A784-N841 WeakPolarHBondContact CB-OD1 3.31Å; A784-N841 PolarHBondContact N-OD1 3.44Å; A837-N841 WeakPolarHBondContact O-CB 3.43Å; A837-N841 PolarHBondContact O-N 2.91Å; A837-N841 PolarHBondContact O-ND2 2.96Å; N841-F843 PolarHBondContact O-N 2.7Å; N841-V844 PolarHBondContact O-N 3.09Å; N841-I845 WeakPolarHBondContact O-CB 3.16Å; N841-I845 VanDerWaalsContact O-CG1 3.3Å; N841-I845 WeakPolarHBondContact O-CG1 3.42Å; N841-I845 PolarHBondContact O-N 3.22Å
842	A	93.2	Very high	91	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-46.5	174	0	0	0	0	0	111.5	V838 I839 T840 A846 I933 F936	V838-A842 WeakPolarHBondContact O-CB 3.31Å; V838-A842 PolarHBondContact O-N 3.16Å; V838-A842 VanDerWaalsContact O-N 3.1Å; I839-A842 WeakPolarHBondContact O-CB 3.43Å; I839-A842 PolarHBondContact O-N 3.45Å; T840-A842 VanDerWaalsContact C-N 3.33Å; T840-A842 PolarHBondContact O-N 3.43Å; A842-A846 VanDerWaalsContact O-CB 3.26Å; A842-A846 WeakPolarHBondContact O-CB 3.48Å; A842-A846 PolarHBondContact O-N 2.97Å; A842-I933 HydrophobicContact CB-CG2 4.35Å; A842-F936 HydrophobicContact CB-CD1 3.62Å; A842-F936 HydrophobicContact CB-CE1 4.11Å; A842-F936 HydrophobicContact CB-CG 4.3Å
843	F	92.7	Very high	90.9	Very high	75 Å²	75	21.2 Å²	21.2	33%	0.329	11%	0.111	S	C	.	.	H	α-helix	trans	-66.9	-37.5	175.4	-79.5	-67.5	0	0	0	113.3	F661 I839 T840 N841 A846 I847 I933	F661-F843 HydrophobicContact CD1-CB 4.4Å; F661-F843 HydrophobicContact CE1-CB 3.52Å; F661-F843 HydrophobicContact CE2-CB 4.46Å; F661-F843 HydrophobicContact CZ-CB 3.55Å; I839-F843 HydrophobicContact CG2-CD2 3.8Å; I839-F843 HydrophobicContact CG2-CE2 3.69Å; I839-F843 VanDerWaalsContact O-CD2 3.28Å; I839-F843 WeakPolarHBondContact O-CD2 3.41Å; I839-F843 PolarHBondContact O-N 3.39Å; I839-F843 VanDerWaalsContact O-N 3.09Å; T840-F843 PolarHBondContact O-N 2.92Å; N841-F843 PolarHBondContact O-N 2.7Å; F843-A846 PolarHBondContact O-N 3.37Å; F843-I847 HydrophobicContact CD1-CD1 3.74Å; F843-I847 HydrophobicContact CD1-CG1 4.45Å; F843-I847 HydrophobicContact CE1-CD1 4.41Å; F843-I847 WeakPolarHBondContact O-CB 3.43Å; F843-I847 PolarHBondContact O-N 2.91Å; F843-I933 HydrophobicContact CD1-CD1 3.65Å; F843-I933 HydrophobicContact CD1-CG1 4.41Å; F843-I933 HydrophobicContact CE1-CD1 3.65Å; F843-I933 HydrophobicContact CE1-CG2 4.47Å; F843-I933 HydrophobicContact CZ-CG2 4.36Å
844	V	91.8	Very high	90.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.115	C	C	.	.	I	π-helix	trans	-64.7	-45.3	176.7	168.5	0	0	0	0	111.3	F661 L694 F782 A784 A785 T840 N841 T848 S849	F661-V844 HydrophobicContact CE1-CG2 3.83Å; F661-V844 HydrophobicContact CZ-CG2 3.99Å; L694-V844 HydrophobicContact CD2-CG1 4.3Å; L694-V844 HydrophobicContact CD2-CG2 4.47Å; F782-V844 HydrophobicContact CD1-CG2 4.32Å; A784-V844 HydrophobicContact CB-CG1 4.22Å; A785-V844 HydrophobicContact CB-CG1 4.42Å; T840-V844 HydrophobicContact CG2-CG2 4.35Å; T840-V844 WeakPolarHBondContact O-CG2 3.44Å; T840-V844 PolarHBondContact O-N 3.33Å; N841-V844 PolarHBondContact O-N 3.09Å; V844-T848 WeakPolarHBondContact O-CB 3.39Å; V844-T848 PolarHBondContact O-N 2.74Å; V844-T848 VanDerWaalsContact O-N 3.07Å; V844-S849 PolarHBondContact O-N 3.02Å
845	I	90.8	Very high	90.5	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	13%	0.13	C	C	.	.	I	π-helix	trans	-68	-35.7	178.1	-64.6	165	0	0	0	111.2	V476 A479 A784 N841 S849 Y851 F932 F936	V476-I845 HydrophobicContact CG1-CD1 4.38Å; V476-I845 HydrophobicContact CG2-CD1 4.39Å; V476-I845 HydrophobicContact CG2-CG2 3.91Å; A479-I845 HydrophobicContact CB-CD1 3.83Å; A784-I845 HydrophobicContact CB-CD1 3.96Å; A784-I845 HydrophobicContact CB-CG1 3.73Å; N841-I845 WeakPolarHBondContact O-CB 3.16Å; N841-I845 VanDerWaalsContact O-CG1 3.3Å; N841-I845 WeakPolarHBondContact O-CG1 3.42Å; N841-I845 PolarHBondContact O-N 3.22Å; I845-S849 WeakPolarHBondContact O-CB 3.49Å; I845-Y851 HydrophobicContact CG2-CD1 4.42Å; I845-F932 HydrophobicContact CB-CE1 3.95Å; I845-F932 HydrophobicContact CB-CZ 4.39Å; I845-F932 HydrophobicContact CG2-CD1 4.47Å; I845-F932 HydrophobicContact CG2-CE1 3.52Å; I845-F932 HydrophobicContact CG2-CZ 3.61Å; I845-F936 HydrophobicContact CD1-CE2 4.16Å; I845-F936 HydrophobicContact CD1-CZ 4.34Å
846	A	90.9	Very high	90.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	I	π-helix	trans	-76.9	-49.9	179	0	0	0	0	0	113.1	A842 F843 R929 F932 I933	A842-A846 VanDerWaalsContact O-CB 3.26Å; A842-A846 WeakPolarHBondContact O-CB 3.48Å; A842-A846 PolarHBondContact O-N 2.97Å; F843-A846 PolarHBondContact O-N 3.37Å; A846-R929 HydrophobicContact CB-CB 4.4Å; A846-R929 WeakPolarHBondContact O-CD 3.39Å; A846-R929 WeakPolarHBondContact O-CG 3.16Å; A846-R929 PolarHBondContact O-NE 3.32Å; A846-R929 PolarHBondContact O-NH2 3.41Å; A846-F932 HydrophobicContact CB-CD1 4.24Å; A846-I933 HydrophobicContact CB-CD1 3.7Å; A846-I933 HydrophobicContact CB-CG1 3.53Å
847	I	88.7	Confident	90.4	Very high	59 Å²	59	23.5 Å²	23.5	30%	0.303	11%	0.11	S	C	.	.	I	π-helix	trans	-94.9	-50	-168.1	-59.2	-177.8	0	0	0	112	F843 R929	F843-I847 HydrophobicContact CD1-CD1 3.74Å; F843-I847 HydrophobicContact CD1-CG1 4.45Å; F843-I847 HydrophobicContact CE1-CD1 4.41Å; F843-I847 WeakPolarHBondContact O-CB 3.43Å; F843-I847 PolarHBondContact O-N 2.91Å; I847-R929 PolarHBondContact O-NH2 2.96Å
848	T	87.9	Confident	90.1	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.049	11%	0.111	C	C	.	.	I	π-helix	trans	-84.4	-34.7	-169.7	-34.9	0	0	0	0	112.6	A660 C690 L691 L694 V844	A660-T848 PolarHBondContact O-OG1 3.33Å; C690-T848 HydrophobicContact CB-CG2 4.18Å; L691-T848 HydrophobicContact CB-CG2 4.49Å; L694-T848 HydrophobicContact CD2-CG2 4.24Å; V844-T848 WeakPolarHBondContact O-CB 3.39Å; V844-T848 PolarHBondContact O-N 2.74Å; V844-T848 VanDerWaalsContact O-N 3.07Å
849	S	87.8	Confident	89.7	Confident	5 Å²	5	29.4 Å²	29.4	4%	0.035	14%	0.136	C	C	.	.	S	Bend	trans	-80	153.3	173.7	161.8	0	0	0	0	112.4	D471 V844 I845 Y851	D471-S849 WeakPolarHBondContact OD1-CB 3.49Å; D471-S849 PolarHBondContact OD1-OG 2.89Å; V844-S849 PolarHBondContact O-N 3.02Å; I845-S849 WeakPolarHBondContact O-CB 3.49Å; S849-Y851 VanDerWaalsContact OG-CB 3.25Å; S849-Y851 WeakPolarHBondContact OG-CB 3.21Å; S849-Y851 PolarHBondContact OG-N 2.95Å
850	D	85.8	Confident	89.4	Confident	9 Å²	9	33.3 Å²	33.3	5%	0.048	15%	0.151	C	C	.	.	S	Bend	trans	-93.3	9.3	173.2	-97.7	-14.4	0	0	0	113.2	P853 R854 R904	D850-P853 WeakPolarHBondContact O-CD 3.44Å; D850-R854 WeakPolarHBondContact O-CB 3.27Å; D850-R854 VanDerWaalsContact O-CG 3.26Å; D850-R854 WeakPolarHBondContact O-CG 3.32Å; D850-R854 PolarHBondContact O-N 3.39Å; D850-R854 VanDerWaalsContact O-N 3.11Å; D850-R904 VanDerWaalsContact CG-NH2 3.3Å; D850-R904 IonicContact OD1-CZ 3.24Å; D850-R904 IonicContact OD1-NH1 2.72Å; D850-R904 IonicContact OD1-NH2 3.98Å; D850-R904 PolarHBondContact OD1-NH2 3.42Å; D850-R904 IonicContact OD2-CZ 2.79Å; D850-R904 IonicContact OD2-NH1 2.67Å; D850-R904 PolarHBondContact OD2-NH1 2.8Å; D850-R904 IonicContact OD2-NH2 3.38Å; D850-R904 PolarHBondContact OD2-NH2 3.05Å
851	Y	87.9	Confident	89	Confident	74 Å²	74	36.9 Å²	36.9	29%	0.29	16%	0.164	S	C	.	.	H	α-helix	trans	-57.7	-50.7	177.7	-176.5	-101.3	0	0	0	112.5	V476 I845 S849 R854 F855	V476-Y851 HydrophobicContact CG2-CD1 4.18Å; V476-Y851 HydrophobicContact CG2-CD2 4.25Å; V476-Y851 HydrophobicContact CG2-CE1 4.31Å; V476-Y851 HydrophobicContact CG2-CE2 4.38Å; V476-Y851 HydrophobicContact CG2-CG 4.16Å; I845-Y851 HydrophobicContact CG2-CD1 4.42Å; S849-Y851 VanDerWaalsContact OG-CB 3.25Å; S849-Y851 WeakPolarHBondContact OG-CB 3.21Å; S849-Y851 PolarHBondContact OG-N 2.95Å; Y851-R854 PolarHBondContact O-N 2.92Å; Y851-F855 WeakPolarHBondContact O-CB 3.24Å; Y851-F855 PolarHBondContact O-N 3.03Å
852	I	90.1	Very high	88.6	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-46.6	-178.6	-54.6	-62.1	0	0	0	112.7	R854 F855 V856 A928 R929 F932	I852-R854 PolarHBondContact O-N 3.36Å; I852-F855 PolarHBondContact O-N 3.48Å; I852-V856 HydrophobicContact CG2-CG2 4.29Å; I852-V856 WeakPolarHBondContact O-CG2 3.3Å; I852-V856 PolarHBondContact O-N 3.39Å; I852-A928 HydrophobicContact CG2-CB 3.83Å; I852-R929 HydrophobicContact CB-CG 4.15Å; I852-R929 HydrophobicContact CG2-CG 3.83Å; I852-F932 HydrophobicContact CD1-CB 3.85Å; I852-F932 HydrophobicContact CD1-CD1 4.1Å; I852-F932 HydrophobicContact CD1-CD2 3.62Å; I852-F932 HydrophobicContact CD1-CE2 4.2Å; I852-F932 HydrophobicContact CD1-CG 3.56Å; I852-F932 HydrophobicContact CG1-CG 4.37Å
853	P	89.5	Confident	87.9	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-57	-43.9	173.4	-26.7	34.2	0	0	0	114.3	D850 F855 V856 Y857 V925	D850-P853 WeakPolarHBondContact O-CD 3.44Å; P853-F855 PolarHBondContact O-N 3.01Å; P853-V856 PolarHBondContact O-N 3.46Å; P853-Y857 WeakPolarHBondContact O-CB 3.37Å; P853-Y857 PolarHBondContact O-N 2.97Å; P853-V925 HydrophobicContact CB-CG1 4.38Å; P853-V925 HydrophobicContact CG-CG1 3.97Å
854	R	87.9	Confident	87.1	Confident	28 Å²	28	37.1 Å²	37.1	11%	0.106	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-40.2	176	-70.2	178.1	-155.9	132	7.4	112.1	D471 D850 Y851 I852 Y857 A858 L876 Y879	D471-R854 IonicContact OD2-CZ 3.67Å; D471-R854 IonicContact OD2-NH1 3.46Å; D471-R854 PolarHBondContact OD2-NH1 3.38Å; D471-R854 IonicContact OD2-NH2 3.91Å; D471-R854 PolarHBondContact OD2-NH2 2.96Å; D850-R854 WeakPolarHBondContact O-CB 3.27Å; D850-R854 VanDerWaalsContact O-CG 3.26Å; D850-R854 WeakPolarHBondContact O-CG 3.32Å; D850-R854 PolarHBondContact O-N 3.39Å; D850-R854 VanDerWaalsContact O-N 3.11Å; Y851-R854 PolarHBondContact O-N 2.92Å; I852-R854 PolarHBondContact O-N 3.36Å; R854-Y857 PolarHBondContact O-N 3.16Å; R854-A858 WeakPolarHBondContact O-CB 3.3Å; R854-A858 PolarHBondContact O-N 2.94Å; R854-L876 HydrophobicContact CB-CD2 3.93Å; R854-L876 HydrophobicContact CG-CD2 4.45Å; R854-L876 WeakPolarHBondContact O-CD2 3.07Å; R854-Y879 HydrophobicContact CB-CE2 4.36Å; R854-Y879 HydrophobicContact CG-CD1 4.44Å; R854-Y879 HydrophobicContact CG-CD2 4.32Å; R854-Y879 HydrophobicContact CG-CE1 3.95Å; R854-Y879 HydrophobicContact CG-CE2 3.81Å
855	F	88.1	Confident	86.2	Confident	104 Å²	104	39.3 Å²	39.3	46%	0.456	19%	0.194	S	C	.	.	H	α-helix	trans	-63.3	-49.1	176	-175.8	-85.4	0	0	0	111.7	Y851 I852 P853 Y857 A858 F859	Y851-F855 WeakPolarHBondContact O-CB 3.24Å; Y851-F855 PolarHBondContact O-N 3.03Å; I852-F855 PolarHBondContact O-N 3.48Å; P853-F855 PolarHBondContact O-N 3.01Å; F855-Y857 VanDerWaalsContact C-N 3.3Å; F855-Y857 PolarHBondContact O-N 3.09Å; F855-A858 PolarHBondContact O-N 3.32Å; F855-F859 HydrophobicContact CD1-CD2 4.12Å; F855-F859 AromaticContact CD2-CD2 3.96Å; F855-F859 HydrophobicContact CD2-CD2 3.96Å; F855-F859 AromaticContact CD2-CE2 3.75Å; F855-F859 HydrophobicContact CD2-CE2 3.75Å; F855-F859 AromaticContact CE1-CD2 3.92Å; F855-F859 HydrophobicContact CE1-CD2 3.92Å; F855-F859 HydrophobicContact CE1-CE2 4.39Å; F855-F859 AromaticContact CE2-CD2 3.77Å; F855-F859 HydrophobicContact CE2-CD2 3.77Å; F855-F859 AromaticContact CE2-CE2 3.4Å; F855-F859 HydrophobicContact CE2-CE2 3.4Å; F855-F859 VanDerWaalsContact CE2-CE2 3.4Å; F855-F859 HydrophobicContact CE2-CZ 4.4Å; F855-F859 HydrophobicContact CG-CD2 4.13Å; F855-F859 HydrophobicContact CG-CE2 4.38Å; F855-F859 AromaticContact CZ-CD2 3.74Å; F855-F859 HydrophobicContact CZ-CD2 3.74Å; F855-F859 AromaticContact CZ-CE2 3.76Å; F855-F859 HydrophobicContact CZ-CE2 3.76Å; F855-F859 WeakPolarHBondContact O-CD2 3.31Å; F855-F859 PolarHBondContact O-N 3.38Å
856	V	90.7	Very high	85.2	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-39.4	177.1	172.7	0	0	0	0	111.2	I852 P853 K860 Y861 H924 V925 A928	I852-V856 HydrophobicContact CG2-CG2 4.29Å; I852-V856 WeakPolarHBondContact O-CG2 3.3Å; I852-V856 PolarHBondContact O-N 3.39Å; P853-V856 PolarHBondContact O-N 3.46Å; V856-K860 VanDerWaalsContact O-CB 3.31Å; V856-K860 WeakPolarHBondContact O-CB 3.38Å; V856-K860 PolarHBondContact O-N 2.66Å; V856-K860 VanDerWaalsContact O-N 3.14Å; V856-Y861 HydrophobicContact CG1-CE2 4.5Å; V856-H924 HydrophobicContact CG1-CB 4.26Å; V856-V925 HydrophobicContact CB-CG2 4.15Å; V856-V925 HydrophobicContact CG1-CG2 3.92Å; V856-A928 HydrophobicContact CG2-CB 3.41Å; V856-A928 VanDerWaalsContact CG2-CB 3.41Å
857	Y	89.3	Confident	83.9	Confident	27 Å²	27	53.8 Å²	53.8	11%	0.106	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-58.7	172.7	-178.9	-101.6	0	0	0	111.3	P853 R854 F855 F859 K860 Y861 G862 L876 K877 Y879 S882	P853-Y857 WeakPolarHBondContact O-CB 3.37Å; P853-Y857 PolarHBondContact O-N 2.97Å; R854-Y857 PolarHBondContact O-N 3.16Å; F855-Y857 VanDerWaalsContact C-N 3.3Å; F855-Y857 PolarHBondContact O-N 3.09Å; Y857-F859 PolarHBondContact O-N 2.92Å; Y857-F859 VanDerWaalsContact O-N 3.1Å; Y857-K860 PolarHBondContact O-N 2.81Å; Y857-Y861 CarbonylContact O-C 3.56Å; Y857-Y861 PolarHBondContact O-N 2.97Å; Y857-G862 PolarHBondContact O-N 3.39Å; Y857-L876 HydrophobicContact CD1-CD2 4.46Å; Y857-K877 PolarHBondContact OH-O 3.47Å; Y857-Y879 AromaticContact CD1-CD2 3.83Å; Y857-Y879 HydrophobicContact CD1-CD2 3.83Å; Y857-Y879 HydrophobicContact CD1-CG 4.43Å; Y857-Y879 HydrophobicContact CD2-CD2 4.4Å; Y857-Y879 AromaticContact CG-CD2 3.73Å; Y857-Y879 HydrophobicContact CG-CD2 3.73Å; Y857-S882 WeakPolarHBondContact CD2-OG 3.27Å; Y857-S882 WeakPolarHBondContact CE2-OG 3.28Å
858	A	86.3	Confident	82.3	Confident	9 Å²	9	63 Å²	63	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-53.6	-37.3	-173.7	0	0	0	0	0	114.1	R854 F855 C875 L876	R854-A858 WeakPolarHBondContact O-CB 3.3Å; R854-A858 PolarHBondContact O-N 2.94Å; F855-A858 PolarHBondContact O-N 3.32Å; A858-C875 HydrophobicContact CB-CB 4.1Å; A858-L876 HydrophobicContact CB-CD2 4.07Å
859	F	85.6	Confident	80.8	Confident	130 Å²	130	65.8 Å²	65.8	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-97.4	-11.4	-176.6	-71.8	-72.9	0	0	0	115.6	F855 Y857	F855-F859 HydrophobicContact CD1-CD2 4.12Å; F855-F859 AromaticContact CD2-CD2 3.96Å; F855-F859 HydrophobicContact CD2-CD2 3.96Å; F855-F859 AromaticContact CD2-CE2 3.75Å; F855-F859 HydrophobicContact CD2-CE2 3.75Å; F855-F859 AromaticContact CE1-CD2 3.92Å; F855-F859 HydrophobicContact CE1-CD2 3.92Å; F855-F859 HydrophobicContact CE1-CE2 4.39Å; F855-F859 AromaticContact CE2-CD2 3.77Å; F855-F859 HydrophobicContact CE2-CD2 3.77Å; F855-F859 AromaticContact CE2-CE2 3.4Å; F855-F859 HydrophobicContact CE2-CE2 3.4Å; F855-F859 VanDerWaalsContact CE2-CE2 3.4Å; F855-F859 HydrophobicContact CE2-CZ 4.4Å; F855-F859 HydrophobicContact CG-CD2 4.13Å; F855-F859 HydrophobicContact CG-CE2 4.38Å; F855-F859 AromaticContact CZ-CD2 3.74Å; F855-F859 HydrophobicContact CZ-CD2 3.74Å; F855-F859 AromaticContact CZ-CE2 3.76Å; F855-F859 HydrophobicContact CZ-CE2 3.76Å; F855-F859 WeakPolarHBondContact O-CD2 3.31Å; F855-F859 PolarHBondContact O-N 3.38Å; Y857-F859 PolarHBondContact O-N 2.92Å; Y857-F859 VanDerWaalsContact O-N 3.1Å
860	K	87.2	Confident	79.1	Confident	130 Å²	130	76.9 Å²	76.9	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-129	-20	-176.8	-172.2	54.3	-179.2	171.3	0	115.8	V856 Y857	V856-K860 VanDerWaalsContact O-CB 3.31Å; V856-K860 WeakPolarHBondContact O-CB 3.38Å; V856-K860 PolarHBondContact O-N 2.66Å; V856-K860 VanDerWaalsContact O-N 3.14Å; Y857-K860 PolarHBondContact O-N 2.81Å
861	Y	84.9	Confident	77.7	Confident	78 Å²	78	83.1 Å²	83.1	31%	0.306	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-18.1	-172.9	-66.5	-77.5	0	0	0	114.7	V856 Y857 Q921 H924	V856-Y861 HydrophobicContact CG1-CE2 4.5Å; Y857-Y861 CarbonylContact O-C 3.56Å; Y857-Y861 PolarHBondContact O-N 2.97Å; Y861-Q921 HydrophobicContact CD1-CG 4.26Å; Y861-Q921 HydrophobicContact CD2-CG 4.23Å; Y861-Q921 HydrophobicContact CE1-CG 3.71Å; Y861-Q921 HydrophobicContact CE2-CG 3.69Å; Y861-Q921 HydrophobicContact CG-CG 4.48Å; Y861-H924 AromaticContact CZ-ND1 3.91Å; Y861-H924 PolarHBondContact OH-ND1 3.44Å
862	G	83	Confident	76.3	Confident	5 Å²	5	84.8 Å²	84.8	5%	0.052	40%	0.4	C	S	.	.	S	Bend	trans	-92.8	177.5	178.1	0	0	0	0	0	113.4	Y857 C864 A865	Y857-G862 PolarHBondContact O-N 3.39Å; G862-C864 PolarHBondContact O-N 3.15Å; G862-A865 WeakPolarHBondContact O-CB 3.42Å; G862-A865 PolarHBondContact O-N 3.39Å
863	P	78.9	Confident	74.9	Confident	60 Å²	60	88.9 Å²	88.9	39%	0.39	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.4	-172.3	-27.3	36	0	0	0	116.4
864	C	75.9	Confident	73.9	Confident	22 Å²	22	94.7 Å²	94.7	15%	0.149	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.5	-178.9	-62.7	0	0	0	0	114.2	G862 C875	G862-C864 PolarHBondContact O-N 3.15Å; C864-C875 HydrophobicContact CB-CB 3.69Å; C864-C875 WeakPolarHBondContact CB-SG 3.36Å; C864-C875 WeakPolarHBondContact SG-CA 3.25Å; C864-C875 WeakPolarHBondContact SG-CB 3.24Å; C864-C875 CovalentContact SG-SG 2.03Å; C864-C875 PolarHBondContact SG-SG 3.04Å
865	A	73.8	Confident	73.4	Confident	47 Å²	47	94 Å²	94	39%	0.388	45%	0.449	S	S	.	.	S	Bend	trans	-71.9	-40	164.2	0	0	0	0	0	111.5	G862	G862-A865 WeakPolarHBondContact O-CB 3.42Å; G862-A865 PolarHBondContact O-N 3.39Å
866	D	68.8	Low	73.1	Confident	148 Å²	148	90.9 Å²	90.9	79%	0.791	44%	0.436	S	S	*	.	S	Bend	trans	-96.8	-12	-172.6	-59.8	-39.4	0	0	0	114.3
867	K	63.3	Low	72.8	Confident	161 Å²	161	96.6 Å²	96.6	70%	0.7	46%	0.46	S	S	*	.	S	Bend	trans	-142.2	140.6	-173.5	-64.8	-179.7	-177.3	174.3	0	112	P869	K867-P869 WeakPolarHBondContact O-CD 3.37Å
868	R	56.4	Low	72.6	Confident	252 Å²	252	96.6 Å²	96.6	95%	0.951	47%	0.468	S	S	*	.			trans	-68.1	118.1	162.7	-75.2	-172.5	179.1	-177.4	1.1	108.8
869	P	54.9	Low	72.7	Confident	67 Å²	67	96.3 Å²	96.3	44%	0.435	47%	0.465	S	S	.	.			trans	-78.8	161.6	-177.2	31.8	-35.5	0	0	0	112.8	K867	K867-P869 WeakPolarHBondContact O-CD 3.37Å
870	R	52.5	Low	72.8	Confident	237 Å²	237	90.9 Å²	90.9	89%	0.894	44%	0.442	S	S	*	.	S	Bend	trans	-90.9	-30.3	163.5	-77	-175.7	175.8	173	-0.8	112.7
871	H	56.1	Low	72.8	Confident	140 Å²	140	89.9 Å²	89.9	65%	0.648	44%	0.442	S	S	*	.	S	Bend	trans	-137	148.6	173.6	-74.4	-66.9	0	0	0	111.5
872	T	59.3	Low	72.8	Confident	109 Å²	109	88 Å²	88	67%	0.669	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-73.9	-26.6	-174.4	43.7	0	0	0	0	114.5	E874 C875	T872-E874 VanDerWaalsContact C-N 3.29Å; T872-E874 PolarHBondContact O-N 3.43Å; T872-C875 VanDerWaalsContact O-CB 3.26Å; T872-C875 WeakPolarHBondContact O-CB 3.11Å; T872-C875 PolarHBondContact O-N 3.26Å; T872-C875 VanDerWaalsContact O-N 3.16Å; T872-C875 PolarHBondContact O-SG 3.29Å; T872-C875 VanDerWaalsContact O-SG 3.41Å
873	D	60.5	Low	73	Confident	93 Å²	93	88.1 Å²	88.1	50%	0.497	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-73	-22.5	-173.2	-62.9	-35.7	0	0	0	113	C875	D873-C875 PolarHBondContact O-N 3.06Å
874	E	68.6	Low	73.5	Confident	126 Å²	126	85.8 Å²	85.8	59%	0.589	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-67	-22.5	172.6	-60	-172.9	132.8	0	0	112.4	T872 L876 K877	T872-E874 VanDerWaalsContact C-N 3.29Å; T872-E874 PolarHBondContact O-N 3.43Å; E874-L876 PolarHBondContact O-N 3.01Å; E874-K877 WeakPolarHBondContact O-CB 3.45Å; E874-K877 PolarHBondContact O-N 2.78Å
875	C	77.4	Confident	74.2	Confident	14 Å²	14	85.2 Å²	85.2	10%	0.095	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-69.3	-16.8	-176.7	-58.3	0	0	0	0	114.6	A858 C864 T872 D873	A858-C875 HydrophobicContact CB-CB 4.1Å; C864-C875 HydrophobicContact CB-CB 3.69Å; C864-C875 WeakPolarHBondContact CB-SG 3.36Å; C864-C875 WeakPolarHBondContact SG-CA 3.25Å; C864-C875 WeakPolarHBondContact SG-CB 3.24Å; C864-C875 CovalentContact SG-SG 2.03Å; C864-C875 PolarHBondContact SG-SG 3.04Å; T872-C875 VanDerWaalsContact O-CB 3.26Å; T872-C875 WeakPolarHBondContact O-CB 3.11Å; T872-C875 PolarHBondContact O-N 3.26Å; T872-C875 VanDerWaalsContact O-N 3.16Å; T872-C875 PolarHBondContact O-SG 3.29Å; T872-C875 VanDerWaalsContact O-SG 3.41Å; D873-C875 PolarHBondContact O-N 3.06Å
876	L	82	Confident	75	Confident	38 Å²	38	84.6 Å²	84.6	20%	0.199	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-100.5	3.2	179.6	-67.3	174.9	0	0	0	113.3	V432 R854 Y857 A858 E874 G878 Y879	V432-L876 HydrophobicContact CG2-CB 4.17Å; V432-L876 HydrophobicContact CG2-CD1 4.12Å; R854-L876 HydrophobicContact CB-CD2 3.93Å; R854-L876 HydrophobicContact CG-CD2 4.45Å; R854-L876 WeakPolarHBondContact O-CD2 3.07Å; Y857-L876 HydrophobicContact CD1-CD2 4.46Å; A858-L876 HydrophobicContact CB-CD2 4.07Å; E874-L876 PolarHBondContact O-N 3.01Å; L876-G878 PolarHBondContact O-N 3.23Å; L876-Y879 WeakPolarHBondContact O-CB 3.03Å; L876-Y879 PolarHBondContact O-N 3.43Å; L876-Y879 VanDerWaalsContact O-N 3.11Å
877	K	84.9	Confident	75.9	Confident	136 Å²	136	77.6 Å²	77.6	59%	0.591	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	122.2	-178.3	-171.4	172	-173.8	173.4	0	111.3	Q431 E435 Y857 E874	Q431-K877 HydrophobicContact CG-CB 4.4Å; E435-K877 WeakPolarHBondContact OE1-CA 3.25Å; Y857-K877 PolarHBondContact OH-O 3.47Å; E874-K877 WeakPolarHBondContact O-CB 3.45Å; E874-K877 PolarHBondContact O-N 2.78Å
878	G	85.1	Confident	77.1	Confident	26 Å²	26	71.1 Å²	71.1	27%	0.268	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	2.3	-176.4	0	0	0	0	0	114.6	E435 L876 M880 N881 S882	E435-G878 PolarHBondContact OE1-N 3.24Å; E435-G878 PolarHBondContact OE2-N 3.32Å; L876-G878 PolarHBondContact O-N 3.23Å; G878-M880 VanDerWaalsContact C-N 3.33Å; G878-M880 PolarHBondContact O-N 3.14Å; G878-N881 PolarHBondContact O-N 2.89Å; G878-S882 PolarHBondContact O-N 3.15Å
879	Y	87.9	Confident	78.2	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.016	30%	0.304	C	S	.	.	H	α-helix	trans	-52.5	-48.9	-179.1	173.6	-101.4	0	0	0	111.7	V432 E435 R854 Y857 L876 N881 S882 S883	V432-Y879 HydrophobicContact CG1-CD1 4Å; V432-Y879 HydrophobicContact CG1-CE1 4.38Å; V432-Y879 HydrophobicContact CG2-CD1 4.06Å; V432-Y879 HydrophobicContact CG2-CG 4.47Å; E435-Y879 PolarHBondContact OE2-N 2.76Å; R854-Y879 HydrophobicContact CB-CE2 4.36Å; R854-Y879 HydrophobicContact CG-CD1 4.44Å; R854-Y879 HydrophobicContact CG-CD2 4.32Å; R854-Y879 HydrophobicContact CG-CE1 3.95Å; R854-Y879 HydrophobicContact CG-CE2 3.81Å; Y857-Y879 AromaticContact CD1-CD2 3.83Å; Y857-Y879 HydrophobicContact CD1-CD2 3.83Å; Y857-Y879 HydrophobicContact CD1-CG 4.43Å; Y857-Y879 HydrophobicContact CD2-CD2 4.4Å; Y857-Y879 AromaticContact CG-CD2 3.73Å; Y857-Y879 HydrophobicContact CG-CD2 3.73Å; L876-Y879 WeakPolarHBondContact O-CB 3.03Å; L876-Y879 PolarHBondContact O-N 3.43Å; L876-Y879 VanDerWaalsContact O-N 3.11Å; Y879-N881 VanDerWaalsContact C-N 3.34Å; Y879-N881 PolarHBondContact O-N 3.27Å; Y879-S882 PolarHBondContact O-N 3.28Å; Y879-S882 PolarHBondContact O-OG 3.27Å; Y879-S883 PolarHBondContact O-N 3.32Å; Y879-S883 PolarHBondContact O-OG 3.34Å
880	M	87.2	Confident	79.1	Confident	16 Å²	16	67 Å²	67	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-37.2	-174.8	-68.5	-53.5	-52.8	0	0	113.1	V432 E435 I436 L457 G878 S882 S883 L884	V432-M880 HydrophobicContact CG1-CG 4.26Å; V432-M880 HydrophobicContact CG1-SD 3.78Å; E435-M880 HydrophobicContact CB-CB 4.3Å; E435-M880 HydrophobicContact CB-CG 3.89Å; E435-M880 PolarHBondContact OE2-N 3.32Å; I436-M880 HydrophobicContact CD1-CE 3.99Å; I436-M880 HydrophobicContact CD1-CG 4.47Å; I436-M880 HydrophobicContact CD1-SD 3.82Å; I436-M880 HydrophobicContact CG1-CE 3.86Å; I436-M880 HydrophobicContact CG1-CG 3.9Å; I436-M880 HydrophobicContact CG1-SD 3.85Å; L457-M880 HydrophobicContact CD2-CE 4.22Å; G878-M880 VanDerWaalsContact C-N 3.33Å; G878-M880 PolarHBondContact O-N 3.14Å; M880-S882 PolarHBondContact O-N 3.41Å; M880-S883 PolarHBondContact O-OG 3.4Å; M880-L884 HydrophobicContact CE-CD1 4.02Å; M880-L884 HydrophobicContact CE-CG 4.41Å; M880-L884 WeakPolarHBondContact O-CD1 3.38Å; M880-L884 VanDerWaalsContact O-CG 3.31Å; M880-L884 WeakPolarHBondContact O-CG 3.3Å
881	N	86.8	Confident	80	Confident	109 Å²	109	60 Å²	60	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-70.3	-23.3	177.5	-169.1	39.2	0	0	0	112.3	G878 Y879 R902	G878-N881 PolarHBondContact O-N 2.89Å; Y879-N881 VanDerWaalsContact C-N 3.34Å; Y879-N881 PolarHBondContact O-N 3.27Å; N881-R902 PolarHBondContact OD1-NH2 2.97Å
882	S	85.6	Confident	80.6	Confident	38 Å²	38	55.3 Å²	55.3	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-88.3	-31.4	177	76.6	0	0	0	0	114	Y857 G878 Y879 M880 L884	Y857-S882 WeakPolarHBondContact CD2-OG 3.27Å; Y857-S882 WeakPolarHBondContact CE2-OG 3.28Å; G878-S882 PolarHBondContact O-N 3.15Å; Y879-S882 PolarHBondContact O-N 3.28Å; Y879-S882 PolarHBondContact O-OG 3.27Å; M880-S882 PolarHBondContact O-N 3.41Å; S882-L884 VanDerWaalsContact C-N 3.32Å; S882-L884 PolarHBondContact O-N 2.73Å
883	S	87.9	Confident	80.7	Confident	7 Å²	7	59.4 Å²	59.4	5%	0.049	29%	0.29	C	S	.	.	S	Bend	trans	-85.3	-1.4	-176.3	63.3	0	0	0	0	114.4	Y879 M880	Y879-S883 PolarHBondContact O-N 3.32Å; Y879-S883 PolarHBondContact O-OG 3.34Å; M880-S883 PolarHBondContact O-OG 3.4Å
884	L	89.1	Confident	80.5	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.063	29%	0.289	C	S	.	.			trans	-117.4	99.2	-175	-69.1	173.2	0	0	0	110.9	M444 L457 M880 S882 R902 R904	M444-L884 HydrophobicContact CE-CD1 3.8Å; M444-L884 HydrophobicContact SD-CD1 4.42Å; M444-L884 HydrophobicContact SD-CD2 4.34Å; L457-L884 HydrophobicContact CD2-CD1 4.02Å; M880-L884 HydrophobicContact CE-CD1 4.02Å; M880-L884 HydrophobicContact CE-CG 4.41Å; M880-L884 WeakPolarHBondContact O-CD1 3.38Å; M880-L884 VanDerWaalsContact O-CG 3.31Å; M880-L884 WeakPolarHBondContact O-CG 3.3Å; S882-L884 VanDerWaalsContact C-N 3.32Å; S882-L884 PolarHBondContact O-N 2.73Å; L884-R902 HydrophobicContact CB-CB 4.26Å; L884-R902 HydrophobicContact CB-CG 4.31Å; L884-R904 HydrophobicContact CD2-CB 4.25Å
885	S	90	Very high	79.6	Confident	10 Å²	10	59.6 Å²	59.6	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	154	172.3	61.2	0	0	0	0	112.8	R902 Y903 D905	S885-R902 VanDerWaalsContact O-CA 3.3Å; S885-R902 WeakPolarHBondContact O-CA 3.45Å; S885-Y903 PolarHBondContact N-O 3.03Å; S885-Y903 PolarHBondContact O-N 3.48Å; S885-Y903 WeakPolarHBondContact OG-CD1 3.41Å; S885-Y903 WeakPolarHBondContact OG-CE1 3.35Å; S885-Y903 WeakPolarHBondContact OG-CE2 3.31Å; S885-Y903 PolarHBondContact OG-O 2.94Å; S885-D905 VanDerWaalsContact CB-O 3.22Å; S885-D905 WeakPolarHBondContact CB-O 3.3Å; S885-D905 PolarHBondContact OG-O 3.03Å; S885-D905 VanDerWaalsContact OG-O 3.12Å
886	V	90.5	Very high	78.6	Confident	34 Å²	34	61 Å²	61	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.9	-177	-178.7	0	0	0	0	110.3	Y900 R902 P910	V886-Y900 HydrophobicContact CG1-CD1 4.46Å; V886-Y900 HydrophobicContact CG1-CG 4.47Å; V886-R902 HydrophobicContact CG2-CG 4.29Å; V886-P910 HydrophobicContact CG1-CG 4.47Å
887	F	88.8	Confident	77.8	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.7	173.6	-176.4	-114.4	0	0	0	110.5	P670 E891 L892 Y900 C901 Y903 Y916	P670-F887 HydrophobicContact CB-CB 4.34Å; P670-F887 HydrophobicContact CB-CD1 3.5Å; P670-F887 VanDerWaalsContact CB-CD1 3.5Å; P670-F887 HydrophobicContact CB-CD2 3.75Å; P670-F887 HydrophobicContact CB-CE1 3.55Å; P670-F887 HydrophobicContact CB-CE2 3.82Å; P670-F887 HydrophobicContact CB-CG 3.59Å; P670-F887 HydrophobicContact CB-CZ 3.71Å; P670-F887 HydrophobicContact CG-CD1 4.4Å; P670-F887 HydrophobicContact CG-CG 4.27Å; P670-F887 WeakPolarHBondContact O-CE2 3.49Å; F887-E891 HydrophobicContact CE2-CB 4.19Å; F887-E891 HydrophobicContact CZ-CB 3.71Å; F887-L892 HydrophobicContact CE1-CB 4.38Å; F887-Y900 WeakPolarHBondContact O-CA 3.46Å; F887-C901 PolarHBondContact N-O 3.38Å; F887-C901 PolarHBondContact O-N 2.87Å; F887-Y903 HydrophobicContact CB-CD1 3.91Å; F887-Y903 HydrophobicContact CB-CE1 3.76Å; F887-Y916 AromaticContact CD2-CE1 3.8Å; F887-Y916 HydrophobicContact CD2-CE1 3.8Å; F887-Y916 AromaticContact CD2-CZ 3.89Å
888	D	87.1	Confident	77.1	Confident	25 Å²	25	65.8 Å²	65.8	13%	0.134	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.3	169.8	-166.1	-43.6	0	0	0	109.4	W890 E891 R899 Y900 P910	D888-W890 PolarHBondContact O-N 2.92Å; D888-W890 WeakPolarHBondContact OD1-CB 3.47Å; D888-W890 PolarHBondContact OD1-N 2.88Å; D888-E891 PolarHBondContact O-N 3.07Å; D888-R899 IonicContact OD2-NE 3.91Å; D888-Y900 HydrophobicContact CB-CD1 4.2Å; D888-Y900 HydrophobicContact CB-CE1 4.2Å; D888-Y900 WeakPolarHBondContact OD2-CE1 3.35Å; D888-P910 HydrophobicContact CB-CG 4.47Å
889	M	79.8	Confident	76.9	Confident	6 Å²	6	72.6 Å²	72.6	3%	0.03	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-68.9	-18.1	-174.7	-161.6	70.8	83.4	0	0	112.4	P454 E891 L892 S896 R899 C901	P454-M889 HydrophobicContact CG-CE 4.47Å; M889-E891 PolarHBondContact O-N 3.41Å; M889-L892 WeakPolarHBondContact O-CB 3.29Å; M889-L892 PolarHBondContact O-N 2.92Å; M889-L892 HydrophobicContact SD-CB 4.33Å; M889-L892 HydrophobicContact SD-CD2 3.76Å; M889-S896 WeakPolarHBondContact CG-OG 3.3Å; M889-R899 PolarHBondContact N-O 2.94Å; M889-C901 HydrophobicContact CE-CB 3.68Å; M889-C901 WeakPolarHBondContact CE-SG 3.41Å
890	W	73.8	Confident	76.8	Confident	226 Å²	226	76.3 Å²	76.3	86%	0.856	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-59.8	-31.9	179.1	-168.8	-98.4	0	0	0	112.8	D888 L892 K893	D888-W890 PolarHBondContact O-N 2.92Å; D888-W890 WeakPolarHBondContact OD1-CB 3.47Å; D888-W890 PolarHBondContact OD1-N 2.88Å; W890-L892 PolarHBondContact O-N 3.33Å; W890-K893 PolarHBondContact O-N 3.11Å
891	E	71.7	Confident	76.8	Confident	90 Å²	90	75.7 Å²	75.7	42%	0.421	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.7	173.5	-80.3	-178.8	-128.1	0	0	113.3	R669 F887 D888 M889 K893 Y916	R669-E891 IonicContact NH2-OE2 2.75Å; R669-E891 PolarHBondContact NH2-OE2 3.43Å; F887-E891 HydrophobicContact CE2-CB 4.19Å; F887-E891 HydrophobicContact CZ-CB 3.71Å; D888-E891 PolarHBondContact O-N 3.07Å; M889-E891 PolarHBondContact O-N 3.41Å; E891-K893 VanDerWaalsContact C-N 3.35Å; E891-Y916 WeakPolarHBondContact OE1-CE2 3.46Å; E891-Y916 VanDerWaalsContact OE1-CZ 3.23Å; E891-Y916 PolarHBondContact OE1-OH 2.95Å
892	L	68.6	Low	76.9	Confident	43 Å²	43	73.6 Å²	73.6	23%	0.225	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-86.3	-2.9	-176.6	-154.2	66.8	0	0	0	113.5	P446 F887 M889 W890 N894	P446-L892 HydrophobicContact CG-CD2 4.4Å; F887-L892 HydrophobicContact CE1-CB 4.38Å; M889-L892 WeakPolarHBondContact O-CB 3.29Å; M889-L892 PolarHBondContact O-N 2.92Å; M889-L892 HydrophobicContact SD-CB 4.33Å; M889-L892 HydrophobicContact SD-CD2 3.76Å; W890-L892 PolarHBondContact O-N 3.33Å; L892-N894 PolarHBondContact O-N 3.33Å
893	K	61	Low	77	Confident	195 Å²	195	72.9 Å²	72.9	85%	0.848	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	9.1	-177.5	-65	-173.4	174.8	-176.4	0	116.5	W890 E891	W890-K893 PolarHBondContact O-N 3.11Å; E891-K893 VanDerWaalsContact C-N 3.35Å
894	N	56.2	Low	76.8	Confident	89 Å²	89	77.5 Å²	77.5	48%	0.476	36%	0.359	S	S	.	.			trans	-89.3	121.6	173.6	-86	-27.6	0	0	0	110.3	L892 S896	L892-N894 PolarHBondContact O-N 3.33Å; N894-S896 PolarHBondContact O-N 3.01Å
895	S	51.3	Low	76.6	Confident	134 Å²	134	78 Å²	78	94%	0.937	36%	0.361	S	S	*	.			trans	-72.2	72.5	174.5	-59.7	0	0	0	0	111.5
896	S	56.5	Low	76.5	Confident	43 Å²	43	79.3 Å²	79.3	30%	0.301	37%	0.365	S	S	.	.			trans	-93.1	149.7	172.6	62.1	0	0	0	0	112.2	M889 N894 F898	M889-S896 WeakPolarHBondContact CG-OG 3.3Å; N894-S896 PolarHBondContact O-N 3.01Å; S896-F898 PolarHBondContact O-N 3.31Å; S896-F898 PolarHBondContact OG-O 3.46Å
897	E	64.9	Low	76.5	Confident	186 Å²	186	79.9 Å²	79.9	87%	0.869	36%	0.363	S	S	*	.	S	Bend	trans	-59.7	-14.7	179.5	-161.5	166.8	-155.9	0	0	114.6
898	F	68.9	Low	76.5	Confident	89 Å²	89	80.8 Å²	80.8	39%	0.39	37%	0.371	S	S	.	.			trans	-114.7	129.2	-177.5	-53.2	-67.9	0	0	0	112.1	I443 S896	I443-F898 HydrophobicContact CD1-CB 4.18Å; I443-F898 HydrophobicContact CD1-CD1 3.39Å; I443-F898 HydrophobicContact CD1-CD2 3.97Å; I443-F898 HydrophobicContact CD1-CE1 3.65Å; I443-F898 HydrophobicContact CD1-CE2 4.2Å; I443-F898 HydrophobicContact CD1-CG 3.56Å; I443-F898 HydrophobicContact CD1-CZ 4.05Å; S896-F898 PolarHBondContact O-N 3.31Å; S896-F898 PolarHBondContact OG-O 3.46Å
899	R	80.8	Confident	76.5	Confident	169 Å²	169	81.4 Å²	81.4	64%	0.638	38%	0.377	S	S	*	.	S	Bend	trans	-75	-32.8	-178.1	-170.9	173.9	175.6	177.9	-3.2	114	D888 M889	D888-R899 IonicContact OD2-NE 3.91Å; M889-R899 PolarHBondContact N-O 2.94Å
900	Y	86.4	Confident	76.9	Confident	82 Å²	82	82.5 Å²	82.5	32%	0.322	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.5	-175.6	-52.4	-63.1	0	0	0	111.3	V886 F887 D888 W911	V886-Y900 HydrophobicContact CG1-CD1 4.46Å; V886-Y900 HydrophobicContact CG1-CG 4.47Å; F887-Y900 WeakPolarHBondContact O-CA 3.46Å; D888-Y900 HydrophobicContact CB-CD1 4.2Å; D888-Y900 HydrophobicContact CB-CE1 4.2Å; D888-Y900 WeakPolarHBondContact OD2-CE1 3.35Å; Y900-W911 AromaticContact CD1-CH2 3.96Å; Y900-W911 HydrophobicContact CD1-CH2 3.96Å; Y900-W911 HydrophobicContact CD1-CZ3 4.32Å; Y900-W911 AromaticContact CE1-CH2 3.45Å; Y900-W911 HydrophobicContact CE1-CH2 3.45Å; Y900-W911 VanDerWaalsContact CE1-CH2 3.45Å; Y900-W911 AromaticContact CE1-CZ3 3.45Å; Y900-W911 HydrophobicContact CE1-CZ3 3.45Å; Y900-W911 VanDerWaalsContact CE1-CZ3 3.45Å; Y900-W911 HydrophobicContact CE2-CH2 4.05Å; Y900-W911 HydrophobicContact CG-CH2 4.48Å; Y900-W911 AromaticContact CZ-CH2 3.49Å; Y900-W911 VanDerWaalsContact CZ-CH2 3.49Å; Y900-W911 AromaticContact CZ-CZ3 3.57Å; Y900-W911 WeakPolarHBondContact OH-CZ3 3.22Å
901	C	87.9	Confident	77.5	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.3	168.1	67.9	0	0	0	0	110.9	C445 F887 M889	C445-C901 VanDerWaalsContact CA-SG 3.51Å; C445-C901 HydrophobicContact CB-CB 3.95Å; C445-C901 WeakPolarHBondContact CB-SG 3.31Å; C445-C901 VanDerWaalsContact SG-C 3.56Å; C445-C901 WeakPolarHBondContact SG-CB 3.49Å; C445-C901 CovalentContact SG-SG 2.04Å; C445-C901 PolarHBondContact SG-SG 2.94Å; F887-C901 PolarHBondContact N-O 3.38Å; F887-C901 PolarHBondContact O-N 2.87Å; M889-C901 HydrophobicContact CE-CB 3.68Å; M889-C901 WeakPolarHBondContact CE-SG 3.41Å
902	R	88.6	Confident	78.2	Confident	64 Å²	64	76.9 Å²	76.9	24%	0.242	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.1	175.6	-82.4	179	170.2	123.1	-5.1	112.1	I443 M444 C445 N881 L884 S885 V886	I443-R902 PolarHBondContact O-N 3.49Å; M444-R902 WeakPolarHBondContact CA-O 3.28Å; M444-R902 HydrophobicContact CE-CB 3.69Å; M444-R902 HydrophobicContact SD-CB 3.8Å; C445-R902 PolarHBondContact N-O 2.79Å; C445-R902 PolarHBondContact SG-O 2.67Å; N881-R902 PolarHBondContact OD1-NH2 2.97Å; L884-R902 HydrophobicContact CB-CB 4.26Å; L884-R902 HydrophobicContact CB-CG 4.31Å; S885-R902 VanDerWaalsContact O-CA 3.3Å; S885-R902 WeakPolarHBondContact O-CA 3.45Å; V886-R902 HydrophobicContact CG2-CG 4.29Å
903	Y	87	Confident	79	Confident	23 Å²	23	81.4 Å²	81.4	9%	0.09	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.9	175	70.8	-73.3	0	0	0	111.6	R669 P670 S885 F887 D905 R907	R669-Y903 HydrophobicContact CB-CE2 4.36Å; P670-Y903 VanDerWaalsContact CD-CD2 3.5Å; P670-Y903 VanDerWaalsContact CD-CE2 3.49Å; P670-Y903 HydrophobicContact CG-CD1 3.91Å; P670-Y903 HydrophobicContact CG-CD2 3.97Å; P670-Y903 HydrophobicContact CG-CE1 4.24Å; P670-Y903 HydrophobicContact CG-CE2 4.28Å; P670-Y903 HydrophobicContact CG-CG 3.76Å; S885-Y903 PolarHBondContact N-O 3.03Å; S885-Y903 PolarHBondContact O-N 3.48Å; S885-Y903 WeakPolarHBondContact OG-CD1 3.41Å; S885-Y903 WeakPolarHBondContact OG-CE1 3.35Å; S885-Y903 WeakPolarHBondContact OG-CE2 3.31Å; S885-Y903 PolarHBondContact OG-O 2.94Å; F887-Y903 HydrophobicContact CB-CD1 3.91Å; F887-Y903 HydrophobicContact CB-CE1 3.76Å; Y903-D905 HydrophobicContact CD2-CB 4.2Å; Y903-D905 HydrophobicContact CE2-CB 3.93Å; Y903-D905 PolarHBondContact O-N 3.49Å; Y903-D905 VanDerWaalsContact O-N 3.16Å; Y903-R907 WeakPolarHBondContact OH-CD 3.5Å
904	R	84.2	Confident	80.2	Confident	104 Å²	104	75.4 Å²	75.4	39%	0.392	38%	0.376	S	S	.	.	S	Bend	trans	-88.2	76	-169.1	-174.4	-177.7	153.7	101.9	14.5	112.1	P687 D850 L884	P687-R904 PolarHBondContact O-NH1 3.16Å; D850-R904 VanDerWaalsContact CG-NH2 3.3Å; D850-R904 IonicContact OD1-CZ 3.24Å; D850-R904 IonicContact OD1-NH1 2.72Å; D850-R904 IonicContact OD1-NH2 3.98Å; D850-R904 PolarHBondContact OD1-NH2 3.42Å; D850-R904 IonicContact OD2-CZ 2.79Å; D850-R904 IonicContact OD2-NH1 2.67Å; D850-R904 PolarHBondContact OD2-NH1 2.8Å; D850-R904 IonicContact OD2-NH2 3.38Å; D850-R904 PolarHBondContact OD2-NH2 3.05Å; L884-R904 HydrophobicContact CD2-CB 4.25Å
905	D	85.2	Confident	81.6	Confident	23 Å²	23	74.1 Å²	74.1	12%	0.123	37%	0.373	C	S	.	.	S	Bend	trans	-145	161.1	165	-159.4	-1.4	0	0	0	110	S885 Y903 R907	S885-D905 VanDerWaalsContact CB-O 3.22Å; S885-D905 WeakPolarHBondContact CB-O 3.3Å; S885-D905 PolarHBondContact OG-O 3.03Å; S885-D905 VanDerWaalsContact OG-O 3.12Å; Y903-D905 HydrophobicContact CD2-CB 4.2Å; Y903-D905 HydrophobicContact CE2-CB 3.93Å; Y903-D905 PolarHBondContact O-N 3.49Å; Y903-D905 VanDerWaalsContact O-N 3.16Å; D905-R907 VanDerWaalsContact C-N 3.26Å; D905-R907 HydrophobicContact CB-CG 4.2Å; D905-R907 PolarHBondContact O-N 3.12Å; D905-R907 VanDerWaalsContact O-N 3.15Å; D905-R907 IonicContact OD2-CZ 2.98Å; D905-R907 IonicContact OD2-NE 2.89Å; D905-R907 PolarHBondContact OD2-NE 3.15Å; D905-R907 IonicContact OD2-NH2 2.85Å; D905-R907 PolarHBondContact OD2-NH2 3.16Å
906	Y	87.9	Confident	83.2	Confident	37 Å²	37	68.2 Å²	68.2	15%	0.145	33%	0.33	C	S	.	.			trans	-91.3	54.6	-178.5	-70	-80.1	0	0	0	111.5	T919 Q921	Y906-T919 WeakPolarHBondContact O-CB 3.45Å; Y906-T919 WeakPolarHBondContact O-CG2 3.47Å; Y906-T919 PolarHBondContact O-N 3.42Å; Y906-T919 PolarHBondContact O-OG1 2.85Å; Y906-Q921 HydrophobicContact CD1-CB 3.97Å
907	R	89.8	Confident	84.8	Confident	46 Å²	46	71.7 Å²	71.7	17%	0.174	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-101.8	150.3	-174.2	-73.7	177.1	-174.1	-81.1	-7.7	114.1	Y903 D905 Y916 E917 F918	Y903-R907 WeakPolarHBondContact OH-CD 3.5Å; D905-R907 VanDerWaalsContact C-N 3.26Å; D905-R907 HydrophobicContact CB-CG 4.2Å; D905-R907 PolarHBondContact O-N 3.12Å; D905-R907 VanDerWaalsContact O-N 3.15Å; D905-R907 IonicContact OD2-CZ 2.98Å; D905-R907 IonicContact OD2-NE 2.89Å; D905-R907 PolarHBondContact OD2-NE 3.15Å; D905-R907 IonicContact OD2-NH2 2.85Å; D905-R907 PolarHBondContact OD2-NH2 3.16Å; R907-Y916 WeakPolarHBondContact CD-O 3.37Å; R907-Y916 WeakPolarHBondContact CG-O 3.4Å; R907-Y916 PolarHBondContact NH1-O 3.17Å; R907-E917 CarbonylContact C-O 3.57Å; R907-E917 VanDerWaalsContact CA-O 3.29Å; R907-E917 WeakPolarHBondContact CA-O 3.49Å; R907-F918 HydrophobicContact CG-CD1 4.37Å; R907-F918 VanDerWaalsContact NH2-CE1 3.3Å
908	A	88.4	Confident	85.9	Confident	20 Å²	20	66.9 Å²	66.9	17%	0.165	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-65.4	153.5	174.7	0	0	0	0	0	110.9	S912 Y916 E917 T919	A908-S912 VanDerWaalsContact CB-OG 3.26Å; A908-S912 WeakPolarHBondContact CB-OG 3.32Å; A908-Y916 WeakPolarHBondContact O-CA 3.36Å; A908-Y916 PolarHBondContact O-N 3.45Å; A908-E917 PolarHBondContact N-O 2.76Å; A908-T919 HydrophobicContact CB-CG2 4.23Å
909	S	88.3	Confident	86.9	Confident	37 Å²	37	64.3 Å²	64.3	26%	0.259	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-75.6	167.7	-173.2	56.4	0	0	0	0	112.6	W911 S912	S909-W911 PolarHBondContact O-N 3.07Å; S909-W911 VanDerWaalsContact O-N 3.15Å; S909-W911 VanDerWaalsContact OG-CD1 3.29Å; S909-S912 PolarHBondContact N-OG 3.28Å; S909-S912 VanDerWaalsContact N-OG 3.12Å; S909-S912 PolarHBondContact O-N 2.96Å; S909-S912 PolarHBondContact O-OG 2.98Å; S909-S912 PolarHBondContact OG-OG 3.38Å
910	P	87.3	Confident	87.3	Confident	29 Å²	29	62.4 Å²	62.4	19%	0.188	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.7	178.4	-23.4	33.5	0	0	0	114.1	V886 D888 Y916	V886-P910 HydrophobicContact CG1-CG 4.47Å; D888-P910 HydrophobicContact CB-CG 4.47Å; P910-Y916 HydrophobicContact CB-CE1 4.31Å; P910-Y916 HydrophobicContact CG-CE1 3.88Å
911	W	85.9	Confident	87.5	Confident	160 Å²	160	60.7 Å²	60.7	61%	0.606	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-6.3	-176.5	22.1	85.5	0	0	0	114.9	Y900 S909	Y900-W911 AromaticContact CD1-CH2 3.96Å; Y900-W911 HydrophobicContact CD1-CH2 3.96Å; Y900-W911 HydrophobicContact CD1-CZ3 4.32Å; Y900-W911 AromaticContact CE1-CH2 3.45Å; Y900-W911 HydrophobicContact CE1-CH2 3.45Å; Y900-W911 VanDerWaalsContact CE1-CH2 3.45Å; Y900-W911 AromaticContact CE1-CZ3 3.45Å; Y900-W911 HydrophobicContact CE1-CZ3 3.45Å; Y900-W911 VanDerWaalsContact CE1-CZ3 3.45Å; Y900-W911 HydrophobicContact CE2-CH2 4.05Å; Y900-W911 HydrophobicContact CG-CH2 4.48Å; Y900-W911 AromaticContact CZ-CH2 3.49Å; Y900-W911 VanDerWaalsContact CZ-CH2 3.49Å; Y900-W911 AromaticContact CZ-CZ3 3.57Å; Y900-W911 WeakPolarHBondContact OH-CZ3 3.22Å; S909-W911 PolarHBondContact O-N 3.07Å; S909-W911 VanDerWaalsContact O-N 3.15Å; S909-W911 VanDerWaalsContact OG-CD1 3.29Å
912	S	87.1	Confident	87.6	Confident	38 Å²	38	61.6 Å²	61.6	27%	0.266	31%	0.31	S	S	.	.	S	Bend	trans	-80.8	145	171.1	51.6	0	0	0	0	111.1	A908 S909 P914 P915	A908-S912 VanDerWaalsContact CB-OG 3.26Å; A908-S912 WeakPolarHBondContact CB-OG 3.32Å; S909-S912 PolarHBondContact N-OG 3.28Å; S909-S912 VanDerWaalsContact N-OG 3.12Å; S909-S912 PolarHBondContact O-N 2.96Å; S909-S912 PolarHBondContact O-OG 2.98Å; S909-S912 PolarHBondContact OG-OG 3.38Å; S912-P914 CarbonylContact O-C 2.96Å; S912-P915 WeakPolarHBondContact O-CA 3.38Å
913	T	86.2	Confident	87.8	Confident	139 Å²	139	65.5 Å²	65.5	85%	0.853	33%	0.325	S	S	*	.	S	Bend	trans	-102.7	117.9	174.8	45.4	0	0	0	0	110.4
914	P	85.1	Confident	88.1	Confident	68 Å²	68	68.3 Å²	68.3	44%	0.442	34%	0.338	S	S	.	.	S	Bend	cis	-77.1	149.2	-6.3	32.5	-35.5	0	0	0	113.7	S912 E917	S912-P914 CarbonylContact O-C 2.96Å; P914-E917 HydrophobicContact CB-CG 4.08Å; P914-E917 HydrophobicContact CG-CB 4.22Å; P914-E917 HydrophobicContact CG-CG 3.7Å; P914-E917 VanDerWaalsContact CG-OE2 3.28Å; P914-E917 WeakPolarHBondContact CG-OE2 3.46Å
915	P	85.6	Confident	88.4	Confident	62 Å²	62	63.7 Å²	63.7	40%	0.403	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	145	-176.7	31.3	-35.4	0	0	0	112.5	S912 E917	S912-P915 WeakPolarHBondContact O-CA 3.38Å; P915-E917 PolarHBondContact O-N 3.41Å; P915-E917 VanDerWaalsContact O-N 3.14Å
916	Y	86.1	Confident	88.7	Confident	10 Å²	10	65.1 Å²	65.1	4%	0.039	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	10.2	176.5	-45.2	-68.7	0	0	0	117.6	F887 E891 R907 A908 P910	F887-Y916 AromaticContact CD2-CE1 3.8Å; F887-Y916 HydrophobicContact CD2-CE1 3.8Å; F887-Y916 AromaticContact CD2-CZ 3.89Å; E891-Y916 WeakPolarHBondContact OE1-CE2 3.46Å; E891-Y916 VanDerWaalsContact OE1-CZ 3.23Å; E891-Y916 PolarHBondContact OE1-OH 2.95Å; R907-Y916 WeakPolarHBondContact CD-O 3.37Å; R907-Y916 WeakPolarHBondContact CG-O 3.4Å; R907-Y916 PolarHBondContact NH1-O 3.17Å; A908-Y916 WeakPolarHBondContact O-CA 3.36Å; A908-Y916 PolarHBondContact O-N 3.45Å; P910-Y916 HydrophobicContact CB-CE1 4.31Å; P910-Y916 HydrophobicContact CG-CE1 3.88Å
917	E	88.4	Confident	89	Confident	117 Å²	117	66.1 Å²	66.1	55%	0.547	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.8	166.3	170.7	-72.2	-156	167.7	0	0	112.5	R907 A908 P914 P915 T919	R907-E917 CarbonylContact C-O 3.57Å; R907-E917 VanDerWaalsContact CA-O 3.29Å; R907-E917 WeakPolarHBondContact CA-O 3.49Å; A908-E917 PolarHBondContact N-O 2.76Å; P914-E917 HydrophobicContact CB-CG 4.08Å; P914-E917 HydrophobicContact CG-CB 4.22Å; P914-E917 HydrophobicContact CG-CG 3.7Å; P914-E917 VanDerWaalsContact CG-OE2 3.28Å; P914-E917 WeakPolarHBondContact CG-OE2 3.46Å; P915-E917 PolarHBondContact O-N 3.41Å; P915-E917 VanDerWaalsContact O-N 3.14Å; E917-T919 PolarHBondContact O-N 2.98Å
918	F	89.1	Confident	89.3	Confident	84 Å²	84	65.3 Å²	65.3	37%	0.368	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-72.7	122.6	178.2	-68.4	-64.2	0	0	0	111.1	R907 F922	R907-F918 HydrophobicContact CG-CD1 4.37Å; R907-F918 VanDerWaalsContact NH2-CE1 3.3Å; F918-F922 HydrophobicContact CB-CB 4.13Å; F918-F922 HydrophobicContact CB-CD1 4.08Å; F918-F922 HydrophobicContact CB-CG 4.09Å; F918-F922 HydrophobicContact CD1-CB 4.28Å; F918-F922 HydrophobicContact CD1-CD1 4.03Å; F918-F922 AromaticContact CD1-CD2 3.48Å; F918-F922 HydrophobicContact CD1-CD2 3.48Å; F918-F922 VanDerWaalsContact CD1-CD2 3.48Å; F918-F922 HydrophobicContact CD1-CE1 4.2Å; F918-F922 AromaticContact CD1-CE2 3.66Å; F918-F922 HydrophobicContact CD1-CE2 3.66Å; F918-F922 AromaticContact CD1-CG 3.67Å; F918-F922 HydrophobicContact CD1-CG 3.67Å; F918-F922 HydrophobicContact CD1-CZ 4.02Å; F918-F922 AromaticContact CE1-CD2 3.79Å; F918-F922 HydrophobicContact CE1-CD2 3.79Å; F918-F922 HydrophobicContact CE1-CE1 4.43Å; F918-F922 AromaticContact CE1-CE2 3.49Å; F918-F922 HydrophobicContact CE1-CE2 3.49Å; F918-F922 VanDerWaalsContact CE1-CE2 3.49Å; F918-F922 HydrophobicContact CE1-CG 4.37Å; F918-F922 AromaticContact CE1-CZ 3.85Å; F918-F922 HydrophobicContact CE1-CZ 3.85Å; F918-F922 HydrophobicContact CG-CD1 4.07Å; F918-F922 HydrophobicContact CG-CD2 4.32Å; F918-F922 HydrophobicContact CG-CE1 4.28Å; F918-F922 HydrophobicContact CG-CG 4.09Å; F918-F922 HydrophobicContact CG-CZ 4.5Å; F918-F922 HydrophobicContact CZ-CE2 4.23Å; F918-F922 HydrophobicContact CZ-CZ 4.17Å
919	T	89.5	Confident	89.5	Confident	35 Å²	35	65.9 Å²	65.9	22%	0.215	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.7	165.3	177.9	62.3	0	0	0	0	112.2	Y906 A908 E917 Q921 F922	Y906-T919 WeakPolarHBondContact O-CB 3.45Å; Y906-T919 WeakPolarHBondContact O-CG2 3.47Å; Y906-T919 PolarHBondContact O-N 3.42Å; Y906-T919 PolarHBondContact O-OG1 2.85Å; A908-T919 HydrophobicContact CB-CG2 4.23Å; E917-T919 PolarHBondContact O-N 2.98Å; T919-Q921 PolarHBondContact O-N 2.72Å; T919-Q921 VanDerWaalsContact O-N 3.16Å; T919-Q921 WeakPolarHBondContact OG1-CB 3.29Å; T919-Q921 PolarHBondContact OG1-N 2.81Å; T919-F922 VanDerWaalsContact O-CB 3.3Å; T919-F922 WeakPolarHBondContact O-CB 3.49Å; T919-F922 PolarHBondContact O-N 2.95Å; T919-F922 PolarHBondContact OG1-N 2.93Å
920	L	89.6	Confident	89.8	Confident	129 Å²	129	68.7 Å²	68.7	68%	0.675	36%	0.358	S	S	*	.	H	α-helix	trans	-58.1	-24.6	169	-65.8	174.2	0	0	0	113	W923 H924	L920-W923 PolarHBondContact O-N 3.24Å; L920-H924 PolarHBondContact O-N 3.49Å; L920-H924 PolarHBondContact O-ND1 3.25Å; L920-H924 VanDerWaalsContact O-ND1 3.07Å
921	Q	89.4	Confident	90.1	Very high	47 Å²	47	69.8 Å²	69.8	22%	0.22	37%	0.369	C	S	.	.	H	α-helix	trans	-64	-40.4	173.2	-72.4	174.6	-16.4	0	0	111.9	Y861 Y906 T919 W923 H924 V925	Y861-Q921 HydrophobicContact CD1-CG 4.26Å; Y861-Q921 HydrophobicContact CD2-CG 4.23Å; Y861-Q921 HydrophobicContact CE1-CG 3.71Å; Y861-Q921 HydrophobicContact CE2-CG 3.69Å; Y861-Q921 HydrophobicContact CG-CG 4.48Å; Y906-Q921 HydrophobicContact CD1-CB 3.97Å; T919-Q921 PolarHBondContact O-N 2.72Å; T919-Q921 VanDerWaalsContact O-N 3.16Å; T919-Q921 WeakPolarHBondContact OG1-CB 3.29Å; T919-Q921 PolarHBondContact OG1-N 2.81Å; Q921-W923 VanDerWaalsContact C-N 3.31Å; Q921-W923 PolarHBondContact O-N 3.32Å; Q921-H924 PolarHBondContact O-N 3.22Å; Q921-V925 WeakPolarHBondContact O-CB 3.38Å; Q921-V925 VanDerWaalsContact O-CG2 3.31Å; Q921-V925 WeakPolarHBondContact O-CG2 3.46Å; Q921-V925 PolarHBondContact O-N 3.44Å
922	F	90.9	Very high	90.5	Very high	21 Å²	21	64.2 Å²	64.2	9%	0.092	35%	0.349	C	S	.	.	H	α-helix	trans	-55.6	-48.2	174.9	-178.9	-91.9	0	0	0	111.1	F918 T919 V925 L926	F918-F922 HydrophobicContact CB-CB 4.13Å; F918-F922 HydrophobicContact CB-CD1 4.08Å; F918-F922 HydrophobicContact CB-CG 4.09Å; F918-F922 HydrophobicContact CD1-CB 4.28Å; F918-F922 HydrophobicContact CD1-CD1 4.03Å; F918-F922 AromaticContact CD1-CD2 3.48Å; F918-F922 HydrophobicContact CD1-CD2 3.48Å; F918-F922 VanDerWaalsContact CD1-CD2 3.48Å; F918-F922 HydrophobicContact CD1-CE1 4.2Å; F918-F922 AromaticContact CD1-CE2 3.66Å; F918-F922 HydrophobicContact CD1-CE2 3.66Å; F918-F922 AromaticContact CD1-CG 3.67Å; F918-F922 HydrophobicContact CD1-CG 3.67Å; F918-F922 HydrophobicContact CD1-CZ 4.02Å; F918-F922 AromaticContact CE1-CD2 3.79Å; F918-F922 HydrophobicContact CE1-CD2 3.79Å; F918-F922 HydrophobicContact CE1-CE1 4.43Å; F918-F922 AromaticContact CE1-CE2 3.49Å; F918-F922 HydrophobicContact CE1-CE2 3.49Å; F918-F922 VanDerWaalsContact CE1-CE2 3.49Å; F918-F922 HydrophobicContact CE1-CG 4.37Å; F918-F922 AromaticContact CE1-CZ 3.85Å; F918-F922 HydrophobicContact CE1-CZ 3.85Å; F918-F922 HydrophobicContact CG-CD1 4.07Å; F918-F922 HydrophobicContact CG-CD2 4.32Å; F918-F922 HydrophobicContact CG-CE1 4.28Å; F918-F922 HydrophobicContact CG-CG 4.09Å; F918-F922 HydrophobicContact CG-CZ 4.5Å; F918-F922 HydrophobicContact CZ-CE2 4.23Å; F918-F922 HydrophobicContact CZ-CZ 4.17Å; T919-F922 VanDerWaalsContact O-CB 3.3Å; T919-F922 WeakPolarHBondContact O-CB 3.49Å; T919-F922 PolarHBondContact O-N 2.95Å; T919-F922 PolarHBondContact OG1-N 2.93Å; F922-V925 PolarHBondContact O-N 3Å; F922-L926 HydrophobicContact CE1-CD2 4.08Å; F922-L926 VanDerWaalsContact O-CB 3.31Å; F922-L926 WeakPolarHBondContact O-CB 3.41Å; F922-L926 PolarHBondContact O-N 3.21Å
923	W	92.8	Very high	90.9	Very high	146 Å²	146	62.9 Å²	62.9	55%	0.553	34%	0.339	S	S	*	.	H	α-helix	trans	-70.3	-40.4	-177.4	-66.6	106.7	0	0	0	112.8	L920 Q921 L926 A927	L920-W923 PolarHBondContact O-N 3.24Å; Q921-W923 VanDerWaalsContact C-N 3.31Å; Q921-W923 PolarHBondContact O-N 3.32Å; W923-L926 HydrophobicContact CE3-CD2 4.04Å; W923-L926 HydrophobicContact CZ3-CD2 3.95Å; W923-L926 PolarHBondContact O-N 2.89Å; W923-A927 WeakPolarHBondContact O-CB 3.28Å; W923-A927 PolarHBondContact O-N 3.04Å
924	H	92.6	Very high	91.3	Very high	82 Å²	82	61 Å²	61	38%	0.38	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-43.3	172.8	-70.3	133.2	0	0	0	112.3	V856 Y861 L920 Q921 A927 A928	V856-H924 HydrophobicContact CG1-CB 4.26Å; Y861-H924 AromaticContact CZ-ND1 3.91Å; Y861-H924 PolarHBondContact OH-ND1 3.44Å; L920-H924 PolarHBondContact O-N 3.49Å; L920-H924 PolarHBondContact O-ND1 3.25Å; L920-H924 VanDerWaalsContact O-ND1 3.07Å; Q921-H924 PolarHBondContact O-N 3.22Å; H924-A927 PolarHBondContact O-N 2.04Å; H924-A928 VanDerWaalsContact O-CB 3.3Å; H924-A928 WeakPolarHBondContact O-CB 3.41Å; H924-A928 PolarHBondContact O-N 3.04Å
925	V	91.8	Very high	91.7	Very high	7 Å²	7	62.4 Å²	62.4	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-39.9	176.4	171	0	0	0	0	111.1	P853 V856 Q921 F922 R929	P853-V925 HydrophobicContact CB-CG1 4.38Å; P853-V925 HydrophobicContact CG-CG1 3.97Å; V856-V925 HydrophobicContact CB-CG2 4.15Å; V856-V925 HydrophobicContact CG1-CG2 3.92Å; Q921-V925 WeakPolarHBondContact O-CB 3.38Å; Q921-V925 VanDerWaalsContact O-CG2 3.31Å; Q921-V925 WeakPolarHBondContact O-CG2 3.46Å; Q921-V925 PolarHBondContact O-N 3.44Å; F922-V925 PolarHBondContact O-N 3Å; V925-R929 WeakPolarHBondContact O-CB 3.46Å; V925-R929 WeakPolarHBondContact O-CG 3.14Å; V925-R929 PolarHBondContact O-N 3.13Å
926	L	91.8	Very high	92	Very high	54 Å²	54	59.9 Å²	59.9	28%	0.283	31%	0.313	S	S	.	.	H	α-helix	trans	-65.7	-44.5	176.3	-177.2	60.9	0	0	0	112.2	F922 W923 R929 L930	F922-L926 HydrophobicContact CE1-CD2 4.08Å; F922-L926 VanDerWaalsContact O-CB 3.31Å; F922-L926 WeakPolarHBondContact O-CB 3.41Å; F922-L926 PolarHBondContact O-N 3.21Å; W923-L926 HydrophobicContact CE3-CD2 4.04Å; W923-L926 HydrophobicContact CZ3-CD2 3.95Å; W923-L926 PolarHBondContact O-N 2.89Å; L926-R929 WeakPolarHBondContact O-CB 3.08Å; L926-R929 PolarHBondContact O-N 3.32Å; L926-L930 WeakPolarHBondContact O-CG 3.33Å; L926-L930 PolarHBondContact O-N 3.26Å; L926-L930 VanDerWaalsContact O-N 3.1Å
927	A	94.4	Very high	92.3	Very high	57 Å²	57	61.8 Å²	61.8	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-45	176.5	0	0	0	0	0	111.7	W923 H924 R929 L930 A931	W923-A927 WeakPolarHBondContact O-CB 3.28Å; W923-A927 PolarHBondContact O-N 3.04Å; H924-A927 PolarHBondContact O-N 2.04Å; A927-R929 VanDerWaalsContact C-N 3.32Å; A927-R929 PolarHBondContact O-N 2.81Å; A927-L930 PolarHBondContact O-N 3.48Å; A927-A931 WeakPolarHBondContact O-CB 3.27Å; A927-A931 PolarHBondContact O-N 2.91Å
928	A	94.4	Very high	92.6	Very high	30 Å²	30	62.4 Å²	62.4	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-37.5	176.5	0	0	0	0	0	112.6	I852 V856 H924 F932	I852-A928 HydrophobicContact CG2-CB 3.83Å; V856-A928 HydrophobicContact CG2-CB 3.41Å; V856-A928 VanDerWaalsContact CG2-CB 3.41Å; H924-A928 VanDerWaalsContact O-CB 3.3Å; H924-A928 WeakPolarHBondContact O-CB 3.41Å; H924-A928 PolarHBondContact O-N 3.04Å; A928-F932 VanDerWaalsContact O-CB 3.29Å; A928-F932 WeakPolarHBondContact O-CB 3.33Å; A928-F932 PolarHBondContact O-N 3.48Å
929	R	93.7	Very high	92.8	Very high	31 Å²	31	62.9 Å²	62.9	12%	0.117	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-48.2	174.2	-78.5	171.7	152.8	164.8	-10.9	112.1	A846 I847 I852 V925 L926 A927 F932 I933	A846-R929 HydrophobicContact CB-CB 4.4Å; A846-R929 WeakPolarHBondContact O-CD 3.39Å; A846-R929 WeakPolarHBondContact O-CG 3.16Å; A846-R929 PolarHBondContact O-NE 3.32Å; A846-R929 PolarHBondContact O-NH2 3.41Å; I847-R929 PolarHBondContact O-NH2 2.96Å; I852-R929 HydrophobicContact CB-CG 4.15Å; I852-R929 HydrophobicContact CG2-CG 3.83Å; V925-R929 WeakPolarHBondContact O-CB 3.46Å; V925-R929 WeakPolarHBondContact O-CG 3.14Å; V925-R929 PolarHBondContact O-N 3.13Å; L926-R929 WeakPolarHBondContact O-CB 3.08Å; L926-R929 PolarHBondContact O-N 3.32Å; A927-R929 VanDerWaalsContact C-N 3.32Å; A927-R929 PolarHBondContact O-N 2.81Å; R929-F932 PolarHBondContact O-N 3.05Å; R929-I933 WeakPolarHBondContact O-CD1 3.17Å; R929-I933 WeakPolarHBondContact O-CG1 3.07Å; R929-I933 PolarHBondContact O-N 2.73Å; R929-I933 VanDerWaalsContact O-N 3.13Å
930	L	93.8	Very high	92.8	Very high	97 Å²	97	61.5 Å²	61.5	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-43.5	178.9	-66.8	172.6	0	0	0	111.8	L926 A927 F932 I933 I934	L926-L930 WeakPolarHBondContact O-CG 3.33Å; L926-L930 PolarHBondContact O-N 3.26Å; L926-L930 VanDerWaalsContact O-N 3.1Å; A927-L930 PolarHBondContact O-N 3.48Å; L930-F932 PolarHBondContact O-N 3.4Å; L930-I933 PolarHBondContact O-N 2.96Å; L930-I934 WeakPolarHBondContact O-CG1 3.45Å; L930-I934 PolarHBondContact O-N 3Å; L930-I934 VanDerWaalsContact O-N 3.16Å
931	A	95.1	Very high	92.9	Very high	52 Å²	52	57.6 Å²	57.6	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-41.8	175.9	0	0	0	0	0	112.2	A927 I934 V935	A927-A931 WeakPolarHBondContact O-CB 3.27Å; A927-A931 PolarHBondContact O-N 2.91Å; A931-I934 PolarHBondContact O-N 2.91Å; A931-V935 WeakPolarHBondContact O-CB 3.42Å; A931-V935 WeakPolarHBondContact O-CG2 3.34Å; A931-V935 PolarHBondContact O-N 2.93Å
932	F	93.9	Very high	93	Very high	42 Å²	42	57.3 Å²	57.3	18%	0.184	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-45.6	176.2	177.9	-92.1	0	0	0	112.2	V476 I845 A846 I852 A928 R929 L930 I934 V935 F936	V476-F932 HydrophobicContact CG1-CZ 4.32Å; I845-F932 HydrophobicContact CB-CE1 3.95Å; I845-F932 HydrophobicContact CB-CZ 4.39Å; I845-F932 HydrophobicContact CG2-CD1 4.47Å; I845-F932 HydrophobicContact CG2-CE1 3.52Å; I845-F932 HydrophobicContact CG2-CZ 3.61Å; A846-F932 HydrophobicContact CB-CD1 4.24Å; I852-F932 HydrophobicContact CD1-CB 3.85Å; I852-F932 HydrophobicContact CD1-CD1 4.1Å; I852-F932 HydrophobicContact CD1-CD2 3.62Å; I852-F932 HydrophobicContact CD1-CE2 4.2Å; I852-F932 HydrophobicContact CD1-CG 3.56Å; I852-F932 HydrophobicContact CG1-CG 4.37Å; A928-F932 VanDerWaalsContact O-CB 3.29Å; A928-F932 WeakPolarHBondContact O-CB 3.33Å; A928-F932 PolarHBondContact O-N 3.48Å; R929-F932 PolarHBondContact O-N 3.05Å; L930-F932 PolarHBondContact O-N 3.4Å; F932-I934 PolarHBondContact O-N 3.14Å; F932-V935 PolarHBondContact O-N 2.89Å; F932-F936 HydrophobicContact CE1-CB 4.18Å; F932-F936 HydrophobicContact CE1-CD2 4.06Å; F932-F936 HydrophobicContact CE1-CG 4.3Å; F932-F936 HydrophobicContact CE2-CD2 4.45Å; F932-F936 HydrophobicContact CZ-CB 4.31Å; F932-F936 AromaticContact CZ-CD2 3.67Å; F932-F936 HydrophobicContact CZ-CD2 3.67Å; F932-F936 HydrophobicContact CZ-CE2 4.38Å; F932-F936 HydrophobicContact CZ-CG 4.3Å; F932-F936 WeakPolarHBondContact O-CB 3.49Å; F932-F936 PolarHBondContact O-N 2.92Å
933	I	94.4	Very high	93	Very high	11 Å²	11	58.6 Å²	58.6	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-57.2	-52.3	178	-66.7	157.9	0	0	0	110	A842 F843 A846 R929 L930 V935 F936 E937	A842-I933 HydrophobicContact CB-CG2 4.35Å; F843-I933 HydrophobicContact CD1-CD1 3.65Å; F843-I933 HydrophobicContact CD1-CG1 4.41Å; F843-I933 HydrophobicContact CE1-CD1 3.65Å; F843-I933 HydrophobicContact CE1-CG2 4.47Å; F843-I933 HydrophobicContact CZ-CG2 4.36Å; A846-I933 HydrophobicContact CB-CD1 3.7Å; A846-I933 HydrophobicContact CB-CG1 3.53Å; R929-I933 WeakPolarHBondContact O-CD1 3.17Å; R929-I933 WeakPolarHBondContact O-CG1 3.07Å; R929-I933 PolarHBondContact O-N 2.73Å; R929-I933 VanDerWaalsContact O-N 3.13Å; L930-I933 PolarHBondContact O-N 2.96Å; I933-V935 PolarHBondContact O-N 2.77Å; I933-F936 PolarHBondContact O-N 3.04Å; I933-E937 WeakPolarHBondContact O-CB 3.41Å; I933-E937 PolarHBondContact O-N 3.32Å
934	I	94.3	Very high	92.7	Very high	98 Å²	98	53.4 Å²	53.4	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-47.7	-178.7	-65.9	166	0	0	0	111.1	L930 A931 F932 H938	L930-I934 WeakPolarHBondContact O-CG1 3.45Å; L930-I934 PolarHBondContact O-N 3Å; L930-I934 VanDerWaalsContact O-N 3.16Å; A931-I934 PolarHBondContact O-N 2.91Å; F932-I934 PolarHBondContact O-N 3.14Å; I934-H938 WeakPolarHBondContact O-CB 3.18Å; I934-H938 PolarHBondContact O-N 3.43Å; I934-H938 VanDerWaalsContact O-N 3.1Å; I934-H938 PolarHBondContact O-ND1 3.01Å
935	V	94	Very high	92.5	Very high	98 Å²	98	53.2 Å²	53.2	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-66.6	-44.8	-178.9	171	0	0	0	0	111.7	A931 F932 I933 L939	A931-V935 WeakPolarHBondContact O-CB 3.42Å; A931-V935 WeakPolarHBondContact O-CG2 3.34Å; A931-V935 PolarHBondContact O-N 2.93Å; F932-V935 PolarHBondContact O-N 2.89Å; I933-V935 PolarHBondContact O-N 2.77Å; V935-L939 WeakPolarHBondContact O-CB 3.46Å; V935-L939 PolarHBondContact O-N 3.44Å
936	F	92.3	Very high	92.5	Very high	9 Å²	9	59 Å²	59	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-47	178.8	-175.9	-80.2	0	0	0	111.3	A479 I480 A842 I845 F932 I933 L939 V940	A479-F936 HydrophobicContact CB-CZ 4.17Å; I480-F936 HydrophobicContact CD1-CD2 4.48Å; I480-F936 HydrophobicContact CD1-CE2 4.08Å; I480-F936 HydrophobicContact CG1-CD2 4.3Å; I480-F936 HydrophobicContact CG1-CE2 3.52Å; I480-F936 HydrophobicContact CG1-CZ 3.97Å; A842-F936 HydrophobicContact CB-CD1 3.62Å; A842-F936 HydrophobicContact CB-CE1 4.11Å; A842-F936 HydrophobicContact CB-CG 4.3Å; I845-F936 HydrophobicContact CD1-CE2 4.16Å; I845-F936 HydrophobicContact CD1-CZ 4.34Å; F932-F936 HydrophobicContact CE1-CB 4.18Å; F932-F936 HydrophobicContact CE1-CD2 4.06Å; F932-F936 HydrophobicContact CE1-CG 4.3Å; F932-F936 HydrophobicContact CE2-CD2 4.45Å; F932-F936 HydrophobicContact CZ-CB 4.31Å; F932-F936 AromaticContact CZ-CD2 3.67Å; F932-F936 HydrophobicContact CZ-CD2 3.67Å; F932-F936 HydrophobicContact CZ-CE2 4.38Å; F932-F936 HydrophobicContact CZ-CG 4.3Å; F932-F936 WeakPolarHBondContact O-CB 3.49Å; F932-F936 PolarHBondContact O-N 2.92Å; I933-F936 PolarHBondContact O-N 3.04Å; F936-L939 PolarHBondContact O-N 3.28Å; F936-V940 HydrophobicContact CD1-CG2 4.17Å; F936-V940 HydrophobicContact CE1-CG2 4.01Å; F936-V940 HydrophobicContact CZ-CG2 4.29Å; F936-V940 WeakPolarHBondContact O-CB 3.42Å; F936-V940 VanDerWaalsContact O-CG2 3.29Å; F936-V940 WeakPolarHBondContact O-CG2 3.31Å; F936-V940 PolarHBondContact O-N 3.36Å
937	E	93.1	Very high	92.4	Very high	51 Å²	51	57.5 Å²	57.5	24%	0.238	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-51.5	-179.6	-175.2	176.4	-173.7	0	0	111.8	I933 L939 V940 F941	I933-E937 WeakPolarHBondContact O-CB 3.41Å; I933-E937 PolarHBondContact O-N 3.32Å; E937-L939 PolarHBondContact O-N 3.07Å; E937-V940 PolarHBondContact O-N 2.85Å; E937-F941 HydrophobicContact CG-CD2 3.62Å; E937-F941 HydrophobicContact CG-CE2 3.43Å; E937-F941 VanDerWaalsContact CG-CE2 3.43Å; E937-F941 WeakPolarHBondContact O-CB 3.49Å; E937-F941 WeakPolarHBondContact O-CD2 3.42Å; E937-F941 PolarHBondContact O-N 3.25Å
938	H	93.4	Very high	92	Very high	129 Å²	129	56.8 Å²	56.8	60%	0.597	32%	0.317	S	S	*	.	H	α-helix	trans	-67.2	-37.6	-179.6	-72.3	74.9	0	0	0	112.4	I934 G942	I934-H938 WeakPolarHBondContact O-CB 3.18Å; I934-H938 PolarHBondContact O-N 3.43Å; I934-H938 VanDerWaalsContact O-N 3.1Å; I934-H938 PolarHBondContact O-ND1 3.01Å; H938-G942 PolarHBondContact O-N 3.5Å
939	L	92.7	Very high	91.8	Very high	94 Å²	94	64.7 Å²	64.7	49%	0.492	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-49.8	175.5	178	63	0	0	0	111.2	V935 F936 E937 G942 I943	V935-L939 WeakPolarHBondContact O-CB 3.46Å; V935-L939 PolarHBondContact O-N 3.44Å; F936-L939 PolarHBondContact O-N 3.28Å; E937-L939 PolarHBondContact O-N 3.07Å; L939-G942 PolarHBondContact O-N 3.12Å; L939-I943 HydrophobicContact CD1-CD1 4.02Å; L939-I943 HydrophobicContact CG-CD1 4.03Å; L939-I943 VanDerWaalsContact O-CG1 3.29Å; L939-I943 WeakPolarHBondContact O-CG1 3.26Å; L939-I943 PolarHBondContact O-N 2.89Å
940	V	90.3	Very high	91.6	Very high	6 Å²	6	68.1 Å²	68.1	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-71.3	-38.2	-176.1	175.5	0	0	0	0	111.6	I480 A483 V838 F936 E937 I943 K944	I480-V940 HydrophobicContact CG1-CG2 4.39Å; I480-V940 HydrophobicContact CG2-CG2 4.5Å; A483-V940 HydrophobicContact CB-CG1 3.48Å; A483-V940 VanDerWaalsContact CB-CG1 3.48Å; V838-V940 HydrophobicContact CB-CG1 4.29Å; V838-V940 HydrophobicContact CG1-CB 3.85Å; V838-V940 HydrophobicContact CG1-CG1 3.67Å; V838-V940 HydrophobicContact CG2-CG1 3.59Å; F936-V940 HydrophobicContact CD1-CG2 4.17Å; F936-V940 HydrophobicContact CE1-CG2 4.01Å; F936-V940 HydrophobicContact CZ-CG2 4.29Å; F936-V940 WeakPolarHBondContact O-CB 3.42Å; F936-V940 VanDerWaalsContact O-CG2 3.29Å; F936-V940 WeakPolarHBondContact O-CG2 3.31Å; F936-V940 PolarHBondContact O-N 3.36Å; E937-V940 PolarHBondContact O-N 2.85Å; V940-I943 PolarHBondContact O-N 3.32Å; V940-K944 PolarHBondContact O-N 3.2Å
941	F	91.6	Very high	91.4	Very high	47 Å²	47	64.6 Å²	64.6	21%	0.206	34%	0.343	C	S	.	.	H	α-helix	trans	-69.1	-33.5	172.2	-71.8	-42.5	0	0	0	113.2	V835 V838 I839 E937 K944 S945	V835-F941 HydrophobicContact CB-CE1 4.43Å; V835-F941 HydrophobicContact CG1-CE1 4.03Å; V835-F941 HydrophobicContact CG1-CZ 3.86Å; V835-F941 HydrophobicContact CG2-CE1 4.44Å; V838-F941 HydrophobicContact CB-CE1 3.9Å; V838-F941 HydrophobicContact CB-CZ 3.98Å; V838-F941 HydrophobicContact CG1-CD1 4.43Å; V838-F941 HydrophobicContact CG1-CE1 4.06Å; V838-F941 HydrophobicContact CG1-CE2 4.35Å; V838-F941 HydrophobicContact CG1-CZ 4.01Å; V838-F941 HydrophobicContact CG2-CE1 4.01Å; I839-F941 HydrophobicContact CD1-CZ 4.34Å; I839-F941 HydrophobicContact CG1-CE2 4.32Å; I839-F941 HydrophobicContact CG1-CZ 4.05Å; E937-F941 HydrophobicContact CG-CD2 3.62Å; E937-F941 HydrophobicContact CG-CE2 3.43Å; E937-F941 VanDerWaalsContact CG-CE2 3.43Å; E937-F941 WeakPolarHBondContact O-CB 3.49Å; E937-F941 WeakPolarHBondContact O-CD2 3.42Å; E937-F941 PolarHBondContact O-N 3.25Å; F941-K944 PolarHBondContact O-N 2.86Å; F941-S945 WeakPolarHBondContact O-CB 3.48Å; F941-S945 PolarHBondContact O-N 2.86Å; F941-S945 PolarHBondContact O-OG 2.86Å
942	G	92.3	Very high	91.1	Very high	41 Å²	41	65.5 Å²	65.5	42%	0.423	34%	0.344	S	S	.	.	H	α-helix	trans	-59.3	-47.2	169.5	0	0	0	0	0	111.7	H938 L939 S945 F946	H938-G942 PolarHBondContact O-N 3.5Å; L939-G942 PolarHBondContact O-N 3.12Å; G942-S945 PolarHBondContact O-N 3.19Å; G942-F946 WeakPolarHBondContact O-CB 3.36Å; G942-F946 PolarHBondContact O-N 2.93Å
943	I	89.8	Confident	90.8	Very high	49 Å²	49	67.5 Å²	67.5	25%	0.251	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-43.3	177.1	-64.2	162.7	0	0	0	111.6	I484 L939 V940 S945 F946 I947	I484-I943 HydrophobicContact CD1-CG2 3.98Å; I484-I943 HydrophobicContact CG1-CG2 3.75Å; L939-I943 HydrophobicContact CD1-CD1 4.02Å; L939-I943 HydrophobicContact CG-CD1 4.03Å; L939-I943 VanDerWaalsContact O-CG1 3.29Å; L939-I943 WeakPolarHBondContact O-CG1 3.26Å; L939-I943 PolarHBondContact O-N 2.89Å; V940-I943 PolarHBondContact O-N 3.32Å; I943-S945 VanDerWaalsContact C-N 3.31Å; I943-S945 PolarHBondContact O-N 3.45Å; I943-F946 PolarHBondContact O-N 3.36Å; I943-I947 HydrophobicContact CG2-CD1 3.72Å; I943-I947 HydrophobicContact CG2-CG1 4.35Å; I943-I947 WeakPolarHBondContact O-CG1 3.17Å; I943-I947 PolarHBondContact O-N 3.28Å
944	K	87.1	Confident	90.4	Very high	36 Å²	36	70.4 Å²	70.4	16%	0.157	37%	0.372	C	S	.	.	H	α-helix	trans	-52.4	-51.4	172.2	169.6	170.7	-179.4	-171.4	0	110.9	T487 E831 V940 F941 F946 I947 A948	T487-K944 HydrophobicContact CG2-CB 3.8Å; T487-K944 HydrophobicContact CG2-CD 3.74Å; T487-K944 HydrophobicContact CG2-CG 3.51Å; E831-K944 IonicContact OE1-NZ 3.54Å; E831-K944 PolarHBondContact OE1-NZ 3.14Å; V940-K944 PolarHBondContact O-N 3.2Å; F941-K944 PolarHBondContact O-N 2.86Å; K944-F946 VanDerWaalsContact C-N 3.32Å; K944-F946 PolarHBondContact O-N 3.04Å; K944-I947 PolarHBondContact O-N 2.99Å; K944-A948 PolarHBondContact O-N 3.42Å
945	S	88.1	Confident	90.1	Very high	79 Å²	79	66.1 Å²	66.1	55%	0.552	35%	0.35	S	S	*	.	H	α-helix	trans	-65.4	-37.3	-175.2	-53.5	0	0	0	0	111.7	F941 G942 I943 Y949	F941-S945 WeakPolarHBondContact O-CB 3.48Å; F941-S945 PolarHBondContact O-N 2.86Å; F941-S945 PolarHBondContact O-OG 2.86Å; G942-S945 PolarHBondContact O-N 3.19Å; I943-S945 VanDerWaalsContact C-N 3.31Å; I943-S945 PolarHBondContact O-N 3.45Å; S945-Y949 WeakPolarHBondContact O-CB 3.42Å; S945-Y949 PolarHBondContact O-N 3.43Å; S945-Y949 VanDerWaalsContact O-N 3.09Å
946	F	92.6	Very high	89.7	Confident	127 Å²	127	69.1 Å²	69.1	56%	0.557	36%	0.355	S	S	*	.	H	α-helix	trans	-67.6	-42	175.5	-177.1	-112.1	0	0	0	112.6	G942 I943 K944 Y949 L950	G942-F946 WeakPolarHBondContact O-CB 3.36Å; G942-F946 PolarHBondContact O-N 2.93Å; I943-F946 PolarHBondContact O-N 3.36Å; K944-F946 VanDerWaalsContact C-N 3.32Å; K944-F946 PolarHBondContact O-N 3.04Å; F946-Y949 PolarHBondContact O-N 2.8Å; F946-L950 HydrophobicContact CD1-CD1 3.96Å; F946-L950 HydrophobicContact CE1-CD1 3.49Å; F946-L950 VanDerWaalsContact CE1-CD1 3.49Å; F946-L950 HydrophobicContact CE1-CG 4.39Å; F946-L950 HydrophobicContact CE2-CD1 4.34Å; F946-L950 HydrophobicContact CE2-CG 4.46Å; F946-L950 HydrophobicContact CZ-CD1 3.71Å; F946-L950 HydrophobicContact CZ-CG 4.29Å; F946-L950 WeakPolarHBondContact O-CG 3.39Å; F946-L950 PolarHBondContact O-N 2.63Å; F946-L950 VanDerWaalsContact O-N 3.08Å
947	I	90	Very high	89.1	Confident	24 Å²	24	73 Å²	73	12%	0.123	38%	0.376	C	S	.	.	H	α-helix	trans	-64.7	-46.2	176.9	-69.7	169.2	0	0	0	111	I484 V488 I943 K944 Y949 L950 I951	I484-I947 HydrophobicContact CG1-CD1 4.49Å; I484-I947 HydrophobicContact CG2-CD1 3.86Å; V488-I947 HydrophobicContact CG2-CD1 4.24Å; V488-I947 HydrophobicContact CG2-CG2 3.91Å; I943-I947 HydrophobicContact CG2-CD1 3.72Å; I943-I947 HydrophobicContact CG2-CG1 4.35Å; I943-I947 WeakPolarHBondContact O-CG1 3.17Å; I943-I947 PolarHBondContact O-N 3.28Å; K944-I947 PolarHBondContact O-N 2.99Å; I947-Y949 PolarHBondContact O-N 2.97Å; I947-L950 PolarHBondContact O-N 2.93Å; I947-L950 VanDerWaalsContact O-N 3.09Å; I947-I951 HydrophobicContact CG2-CD1 3.84Å; I947-I951 PolarHBondContact O-N 3.49Å; I947-I951 VanDerWaalsContact O-N 3.09Å
948	A	84.9	Confident	88.7	Confident	41 Å²	41	70.7 Å²	70.7	34%	0.339	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-27.4	176.4	0	0	0	0	0	113	K944	K944-A948 PolarHBondContact O-N 3.42Å
949	Y	89.6	Confident	88.3	Confident	196 Å²	196	66.5 Å²	66.5	77%	0.769	35%	0.35	S	S	*	.	H	α-helix	trans	-75.7	-31.2	172.2	-179.5	-101.3	0	0	0	113.4	S945 F946 I947	S945-Y949 WeakPolarHBondContact O-CB 3.42Å; S945-Y949 PolarHBondContact O-N 3.43Å; S945-Y949 VanDerWaalsContact O-N 3.09Å; F946-Y949 PolarHBondContact O-N 2.8Å; I947-Y949 PolarHBondContact O-N 2.97Å
950	L	90.8	Very high	87.9	Confident	103 Å²	103	66.1 Å²	66.1	54%	0.539	35%	0.348	S	S	.	.	H	α-helix	trans	-81.3	-31	-178.7	-74.8	178.7	0	0	0	114.1	F946 I947 P952	F946-L950 HydrophobicContact CD1-CD1 3.96Å; F946-L950 HydrophobicContact CE1-CD1 3.49Å; F946-L950 VanDerWaalsContact CE1-CD1 3.49Å; F946-L950 HydrophobicContact CE1-CG 4.39Å; F946-L950 HydrophobicContact CE2-CD1 4.34Å; F946-L950 HydrophobicContact CE2-CG 4.46Å; F946-L950 HydrophobicContact CZ-CD1 3.71Å; F946-L950 HydrophobicContact CZ-CG 4.29Å; F946-L950 WeakPolarHBondContact O-CG 3.39Å; F946-L950 PolarHBondContact O-N 2.63Å; F946-L950 VanDerWaalsContact O-N 3.08Å; I947-L950 PolarHBondContact O-N 2.93Å; I947-L950 VanDerWaalsContact O-N 3.09Å; L950-P952 WeakPolarHBondContact O-CD 3.34Å
951	I	88.9	Confident	87.5	Confident	24 Å²	24	70.5 Å²	70.5	12%	0.123	36%	0.364	C	S	.	.	S	Bend	trans	-97.7	109.6	-177	-57.2	176.6	0	0	0	109.1	E491 F492 I947	E491-I951 HydrophobicContact CB-CB 4.2Å; E491-I951 HydrophobicContact CB-CD1 4.04Å; E491-I951 HydrophobicContact CB-CG2 4.02Å; F492-I951 HydrophobicContact CD1-CG2 4.36Å; F492-I951 HydrophobicContact CE1-CD1 4.35Å; F492-I951 HydrophobicContact CE1-CG2 4.37Å; F492-I951 HydrophobicContact CZ-CD1 4.25Å; I947-I951 HydrophobicContact CG2-CD1 3.84Å; I947-I951 PolarHBondContact O-N 3.49Å; I947-I951 VanDerWaalsContact O-N 3.09Å
952	P	88.8	Confident	87.1	Confident	70 Å²	70	70 Å²	70	46%	0.455	36%	0.363	S	S	.	.			trans	-71.5	138.9	174.2	29.7	-34.2	0	0	0	110.9	L950 M954	L950-P952 WeakPolarHBondContact O-CD 3.34Å; P952-M954 PolarHBondContact O-N 3.18Å
953	D	88.1	Confident	86.7	Confident	85 Å²	85	76 Å²	76	46%	0.455	37%	0.373	S	S	.	.	S	Bend	trans	-59.6	-21.8	-178.4	-50.5	-93	0	0	0	113.4	K494 R495	K494-D953 HydrophobicContact CD-CB 4.44Å; K494-D953 WeakPolarHBondContact CD-OD1 3.21Å; K494-D953 WeakPolarHBondContact CE-OD1 3.24Å; K494-D953 IonicContact NZ-OD1 3.64Å; K494-D953 PolarHBondContact NZ-OD1 3.45Å; R495-D953 VanDerWaalsContact CA-O 3.25Å; R495-D953 WeakPolarHBondContact CA-O 3.13Å
954	M	85.1	Confident	86.4	Confident	72 Å²	72	79.4 Å²	79.4	36%	0.355	38%	0.383	S	S	.	.	S	Bend	trans	-120.7	142.5	177.7	-67	-177	73.7	0	0	112.8	A498 P952 L958 M962	A498-M954 HydrophobicContact CB-CG 4.26Å; P952-M954 PolarHBondContact O-N 3.18Å; M954-L958 HydrophobicContact CE-CD2 4.07Å; M954-L958 HydrophobicContact CE-CG 4.31Å; M954-M962 HydrophobicContact CE-CE 4.29Å; M954-M962 HydrophobicContact CE-SD 3.5Å; M954-M962 WeakPolarHBondContact CE-SD 3.43Å
955	P	88.3	Confident	85.8	Confident	7 Å²	7	79.6 Å²	79.6	5%	0.045	38%	0.384	C	S	.	.			trans	-69.3	140.1	169.8	-3.6	17.5	0	0	0	111.7	R495 E499 D957 L958 C959	R495-P955 HydrophobicContact CG-CG 3.79Å; E499-P955 HydrophobicContact CG-CG 3.64Å; E499-P955 VanDerWaalsContact OE1-CG 3.3Å; E499-P955 WeakPolarHBondContact OE1-CG 3.15Å; P955-D957 PolarHBondContact O-N 3.06Å; P955-L958 HydrophobicContact CB-CB 4.08Å; P955-L958 HydrophobicContact CG-CB 3.91Å; P955-L958 HydrophobicContact CG-CD2 4.28Å; P955-L958 WeakPolarHBondContact O-CB 3.42Å; P955-L958 PolarHBondContact O-N 2.99Å; P955-C959 PolarHBondContact O-N 3.1Å; P955-C959 VanDerWaalsContact O-N 3.08Å; P955-C959 PolarHBondContact O-SG 3.06Å
956	K	84.9	Confident	85.5	Confident	162 Å²	162	80.6 Å²	80.6	70%	0.704	38%	0.378	S	S	*	.	H	α-helix	trans	-59.2	-47.8	177.9	-65.5	-174.8	179.6	-178.4	0	112.7	L958 C959 D960	K956-L958 PolarHBondContact O-N 2.87Å; K956-L958 VanDerWaalsContact O-N 3.12Å; K956-C959 PolarHBondContact O-N 3.43Å; K956-C959 VanDerWaalsContact O-N 3.08Å; K956-D960 PolarHBondContact O-N 2.9Å
957	D	80.7	Confident	85	Confident	90 Å²	90	81.5 Å²	81.5	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-59.8	-24.4	177.3	-51.1	-102.6	0	0	0	112.5	R243 P955 R961	R243-D957 IonicContact CZ-OD1 3.04Å; R243-D957 IonicContact NH1-OD1 3.85Å; R243-D957 PolarHBondContact NH1-OD1 3.01Å; R243-D957 IonicContact NH2-OD1 3.34Å; P955-D957 PolarHBondContact O-N 3.06Å; D957-R961 WeakPolarHBondContact O-CG 3.37Å; D957-R961 PolarHBondContact O-N 2.9Å; D957-R961 VanDerWaalsContact O-N 3.16Å
958	L	83.8	Confident	84.4	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.016	38%	0.383	C	S	.	.	H	α-helix	trans	-77.8	-45.9	172.9	174.5	63.9	0	0	0	111.9	A498 Y502 M954 P955 K956 D960 R961 M962	A498-L958 HydrophobicContact CB-CD2 4.08Å; A498-L958 WeakPolarHBondContact O-CD2 3.39Å; Y502-L958 VanDerWaalsContact CB-CD1 3.45Å; Y502-L958 HydrophobicContact CD1-CD1 3.61Å; Y502-L958 HydrophobicContact CD2-CD1 3.69Å; Y502-L958 HydrophobicContact CE1-CD1 4.29Å; Y502-L958 HydrophobicContact CE2-CD1 4.38Å; Y502-L958 HydrophobicContact CG-CD1 3.27Å; M954-L958 HydrophobicContact CE-CD2 4.07Å; M954-L958 HydrophobicContact CE-CG 4.31Å; P955-L958 HydrophobicContact CB-CB 4.08Å; P955-L958 HydrophobicContact CG-CB 3.91Å; P955-L958 HydrophobicContact CG-CD2 4.28Å; P955-L958 WeakPolarHBondContact O-CB 3.42Å; P955-L958 PolarHBondContact O-N 2.99Å; K956-L958 PolarHBondContact O-N 2.87Å; K956-L958 VanDerWaalsContact O-N 3.12Å; L958-D960 PolarHBondContact O-N 3.3Å; L958-R961 WeakPolarHBondContact O-CB 3.39Å; L958-R961 PolarHBondContact O-N 3.06Å; L958-R961 VanDerWaalsContact O-N 3.14Å; L958-M962 HydrophobicContact CD1-CG 4.24Å; L958-M962 HydrophobicContact CD1-SD 4.32Å; L958-M962 HydrophobicContact CG-SD 4.19Å; L958-M962 WeakPolarHBondContact O-CG 3.45Å; L958-M962 PolarHBondContact O-N 3.5Å
959	C	86.4	Confident	83.8	Confident	41 Å²	41	83.6 Å²	83.6	28%	0.277	38%	0.383	S	S	.	.	H	α-helix	trans	-56.6	-37.8	175.4	-60.8	0	0	0	0	111.7	P955 K956 R963	P955-C959 PolarHBondContact O-N 3.1Å; P955-C959 VanDerWaalsContact O-N 3.08Å; P955-C959 PolarHBondContact O-SG 3.06Å; K956-C959 PolarHBondContact O-N 3.43Å; K956-C959 VanDerWaalsContact O-N 3.08Å; C959-R963 WeakPolarHBondContact O-CB 3.21Å; C959-R963 PolarHBondContact O-N 2.69Å
960	D	84.4	Confident	83.3	Confident	85 Å²	85	80.4 Å²	80.4	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-76	-33.4	177.9	-64.6	-33	0	0	0	112.7	K956 L958 R963 R964	K956-D960 PolarHBondContact O-N 2.9Å; L958-D960 PolarHBondContact O-N 3.3Å; D960-R963 IonicContact OD1-CZ 2.69Å; D960-R963 IonicContact OD1-NH1 3.92Å; D960-R963 PolarHBondContact OD1-NH1 2.99Å; D960-R964 WeakPolarHBondContact O-CB 3.43Å; D960-R964 PolarHBondContact O-N 2.86Å; D960-R964 VanDerWaalsContact O-N 3.09Å
961	R	81.8	Confident	82.8	Confident	98 Å²	98	79.3 Å²	79.3	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-56.9	-54.8	166.1	-81.6	-164.7	-68.5	165.6	3.9	110.7	Y502 D503 D957 L958 R963 R964 E965	Y502-R961 HydrophobicContact CE1-CB 4.44Å; Y502-R961 VanDerWaalsContact CE1-NH1 3.35Å; D503-R961 IonicContact OD1-CZ 2.67Å; D503-R961 IonicContact OD1-NH1 3.68Å; D503-R961 PolarHBondContact OD1-NH1 2.84Å; D503-R961 IonicContact OD1-NH2 3.7Å; D503-R961 PolarHBondContact OD1-NH2 3.35Å; D957-R961 WeakPolarHBondContact O-CG 3.37Å; D957-R961 PolarHBondContact O-N 2.9Å; D957-R961 VanDerWaalsContact O-N 3.16Å; L958-R961 WeakPolarHBondContact O-CB 3.39Å; L958-R961 PolarHBondContact O-N 3.06Å; L958-R961 VanDerWaalsContact O-N 3.14Å; R961-R963 PolarHBondContact O-N 2.95Å; R961-R964 PolarHBondContact O-N 2.04Å; R961-E965 WeakPolarHBondContact O-CB 3.11Å; R961-E965 PolarHBondContact O-N 3.16Å
962	M	82.2	Confident	82	Confident	36 Å²	36	79.2 Å²	79.2	18%	0.177	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-42.2	-178.8	-71.8	174.8	62.3	0	0	113.2	Y502 I507 M954 L958 E965 K966	Y502-M962 HydrophobicContact CD2-CG 3.47Å; Y502-M962 VanDerWaalsContact CD2-CG 3.47Å; Y502-M962 HydrophobicContact CD2-SD 4.21Å; Y502-M962 HydrophobicContact CE2-CG 3.53Å; I507-M962 HydrophobicContact CD1-CE 3.59Å; I507-M962 HydrophobicContact CD1-CG 4.33Å; I507-M962 HydrophobicContact CD1-SD 3.62Å; I507-M962 HydrophobicContact CG2-CE 4.14Å; M954-M962 HydrophobicContact CE-CE 4.29Å; M954-M962 HydrophobicContact CE-SD 3.5Å; M954-M962 WeakPolarHBondContact CE-SD 3.43Å; L958-M962 HydrophobicContact CD1-CG 4.24Å; L958-M962 HydrophobicContact CD1-SD 4.32Å; L958-M962 HydrophobicContact CG-SD 4.19Å; L958-M962 WeakPolarHBondContact O-CG 3.45Å; L958-M962 PolarHBondContact O-N 3.5Å; M962-E965 PolarHBondContact O-N 2.95Å; M962-K966 PolarHBondContact O-N 3.47Å
963	R	84.9	Confident	81	Confident	167 Å²	167	80.4 Å²	80.4	63%	0.63	37%	0.368	S	S	*	.	H	α-helix	trans	-63.4	-42.9	177.2	-171.2	-174.7	-63	116.2	4.1	111.2	C959 D960 R961 Y967	C959-R963 WeakPolarHBondContact O-CB 3.21Å; C959-R963 PolarHBondContact O-N 2.69Å; D960-R963 IonicContact OD1-CZ 2.69Å; D960-R963 IonicContact OD1-NH1 3.92Å; D960-R963 PolarHBondContact OD1-NH1 2.99Å; R961-R963 PolarHBondContact O-N 2.95Å; R963-Y967 WeakPolarHBondContact O-CB 3.36Å; R963-Y967 PolarHBondContact O-N 3.16Å; R963-Y967 VanDerWaalsContact O-N 3.1Å
964	R	82.4	Confident	80.5	Confident	121 Å²	121	82.1 Å²	82.1	46%	0.457	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-39.9	177.1	-176.3	179.4	-179.7	-176.4	0.5	111.9	D960 R961 Y967 L968	D960-R964 WeakPolarHBondContact O-CB 3.43Å; D960-R964 PolarHBondContact O-N 2.86Å; D960-R964 VanDerWaalsContact O-N 3.09Å; R961-R964 PolarHBondContact O-N 2.04Å; R964-Y967 PolarHBondContact O-N 3.19Å; R964-L968 HydrophobicContact CG-CD1 3.96Å; R964-L968 HydrophobicContact CG-CG 4.4Å; R964-L968 WeakPolarHBondContact O-CB 3.3Å; R964-L968 VanDerWaalsContact O-CG 3.28Å; R964-L968 WeakPolarHBondContact O-CG 3.37Å; R964-L968 PolarHBondContact O-N 3.3Å
965	E	76.3	Confident	80.3	Confident	41 Å²	41	82.6 Å²	82.6	19%	0.192	37%	0.37	C	S	.	.	H	α-helix	trans	-66.8	-47.3	177.3	179.2	166.4	-157.5	0	0	112.6	Y282 Y502 R961 M962 Y967 L968 M969	Y282-E965 HydrophobicContact CD1-CB 4.42Å; Y282-E965 HydrophobicContact CD1-CG 3.81Å; Y282-E965 HydrophobicContact CE1-CB 4.26Å; Y282-E965 HydrophobicContact CE1-CG 4.14Å; Y502-E965 WeakPolarHBondContact CE2-OE2 3.34Å; Y502-E965 PolarHBondContact OH-OE2 3.43Å; R961-E965 WeakPolarHBondContact O-CB 3.11Å; R961-E965 PolarHBondContact O-N 3.16Å; M962-E965 PolarHBondContact O-N 2.95Å; E965-Y967 PolarHBondContact O-N 3.34Å; E965-L968 PolarHBondContact O-N 2.61Å; E965-M969 WeakPolarHBondContact O-CB 3.43Å; E965-M969 PolarHBondContact O-N 3.19Å
966	K	80.6	Confident	79.5	Confident	99 Å²	99	83.9 Å²	83.9	43%	0.43	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-34.4	175.7	-68.8	-165.5	175.2	-167.1	0	111.6	D508 M962 Q970	D508-K966 IonicContact OD2-NZ 2.62Å; D508-K966 PolarHBondContact OD2-NZ 3.13Å; M962-K966 PolarHBondContact O-N 3.47Å; K966-Q970 VanDerWaalsContact O-CG 3.31Å; K966-Q970 WeakPolarHBondContact O-CG 3.19Å; K966-Q970 PolarHBondContact O-N 2.94Å
967	Y	82.4	Confident	79.1	Confident	146 Å²	146	82.2 Å²	82.2	57%	0.573	38%	0.376	S	S	*	.	H	α-helix	trans	-65.6	-51.2	171.2	175.9	-96.9	0	0	0	113.3	R963 R964 E965 M969 Q970 E971	R963-Y967 WeakPolarHBondContact O-CB 3.36Å; R963-Y967 PolarHBondContact O-N 3.16Å; R963-Y967 VanDerWaalsContact O-N 3.1Å; R964-Y967 PolarHBondContact O-N 3.19Å; E965-Y967 PolarHBondContact O-N 3.34Å; Y967-M969 VanDerWaalsContact C-N 3.27Å; Y967-M969 PolarHBondContact O-N 3.15Å; Y967-Q970 WeakPolarHBondContact O-CB 3.48Å; Y967-Q970 PolarHBondContact O-N 2.78Å; Y967-Q970 VanDerWaalsContact O-N 3.16Å; Y967-E971 PolarHBondContact O-N 3.4Å
968	L	77.5	Confident	79.2	Confident	37 Å²	37	81.5 Å²	81.5	19%	0.194	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-33.4	179.1	-71.7	170.3	0	0	0	112.3	Y282 R964 E965 E971 M972	Y282-L968 HydrophobicContact CE1-CD1 4.48Å; Y282-L968 HydrophobicContact CE2-CD1 3.99Å; Y282-L968 WeakPolarHBondContact OH-CD1 3.23Å; R964-L968 HydrophobicContact CG-CD1 3.96Å; R964-L968 HydrophobicContact CG-CG 4.4Å; R964-L968 WeakPolarHBondContact O-CB 3.3Å; R964-L968 VanDerWaalsContact O-CG 3.28Å; R964-L968 WeakPolarHBondContact O-CG 3.37Å; R964-L968 PolarHBondContact O-N 3.3Å; E965-L968 PolarHBondContact O-N 2.61Å; L968-E971 WeakPolarHBondContact CD2-OE2 3.41Å; L968-M972 WeakPolarHBondContact O-CB 3.27Å; L968-M972 WeakPolarHBondContact O-CG 3.09Å; L968-M972 PolarHBondContact O-N 3.1Å
969	M	72.9	Confident	78.9	Confident	72 Å²	72	86.1 Å²	86.1	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-67.1	-41.4	174.3	-174.3	175.6	68.7	0	0	111.7	E965 Y967 M972 M973	E965-M969 WeakPolarHBondContact O-CB 3.43Å; E965-M969 PolarHBondContact O-N 3.19Å; Y967-M969 VanDerWaalsContact C-N 3.27Å; Y967-M969 PolarHBondContact O-N 3.15Å; M969-M972 PolarHBondContact O-N 2.96Å; M969-M973 HydrophobicContact CE-CE 4.32Å; M969-M973 HydrophobicContact CG-CE 3.8Å; M969-M973 HydrophobicContact CG-SD 4.47Å; M969-M973 VanDerWaalsContact O-CG 3.32Å; M969-M973 WeakPolarHBondContact O-CG 3.09Å; M969-M973 PolarHBondContact O-N 3.07Å; M969-M973 HydrophobicContact SD-CE 3.92Å
970	Q	77.6	Confident	78.3	Confident	130 Å²	130	89.2 Å²	89.2	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-63.5	-44.4	174.3	-74	171.4	-26	0	0	111.6	K966 Y967 M972 M973 Y974	K966-Q970 VanDerWaalsContact O-CG 3.31Å; K966-Q970 WeakPolarHBondContact O-CG 3.19Å; K966-Q970 PolarHBondContact O-N 2.94Å; Y967-Q970 WeakPolarHBondContact O-CB 3.48Å; Y967-Q970 PolarHBondContact O-N 2.78Å; Y967-Q970 VanDerWaalsContact O-N 3.16Å; Q970-M972 PolarHBondContact O-N 3.08Å; Q970-M973 PolarHBondContact O-N 3.17Å; Q970-Y974 PolarHBondContact O-N 3.31Å
971	E	81.7	Confident	77.9	Confident	79 Å²	79	88.8 Å²	88.8	37%	0.369	40%	0.401	S	S	.	.	H	α-helix	trans	-57.1	-47.9	174.1	-174.9	-176.9	-139.1	0	0	111.5	Y967 L968 M973 Y974 E975	Y967-E971 PolarHBondContact O-N 3.4Å; L968-E971 WeakPolarHBondContact CD2-OE2 3.41Å; E971-M973 PolarHBondContact O-N 2.88Å; E971-Y974 PolarHBondContact O-N 3.2Å; E971-E975 WeakPolarHBondContact O-CG 3.14Å; E971-E975 PolarHBondContact O-N 2.89Å
972	M	70.4	Confident	77.8	Confident	22 Å²	22	88.3 Å²	88.3	11%	0.108	40%	0.403	C	S	.	.	H	α-helix	trans	-68	-32.5	177.9	-72.5	-166.3	-53.5	0	0	114.1	F233 K235 L968 M969 Q970 A976	F233-M972 HydrophobicContact CD1-CE 3.77Å; F233-M972 HydrophobicContact CD1-SD 3.88Å; F233-M972 HydrophobicContact CE1-CE 3.82Å; F233-M972 HydrophobicContact CE1-SD 3.64Å; K235-M972 HydrophobicContact CB-SD 3.92Å; K235-M972 HydrophobicContact CD-CG 3.82Å; K235-M972 HydrophobicContact CD-SD 3.45Å; K235-M972 WeakPolarHBondContact CD-SD 3.39Å; K235-M972 HydrophobicContact CG-SD 4.29Å; L968-M972 WeakPolarHBondContact O-CB 3.27Å; L968-M972 WeakPolarHBondContact O-CG 3.09Å; L968-M972 PolarHBondContact O-N 3.1Å; M969-M972 PolarHBondContact O-N 2.96Å; Q970-M972 PolarHBondContact O-N 3.08Å; M972-A976 VanDerWaalsContact O-CB 3.27Å; M972-A976 WeakPolarHBondContact O-CB 3.34Å; M972-A976 PolarHBondContact O-N 2.03Å
973	M	67.9	Low	77.5	Confident	96 Å²	96	91.6 Å²	91.6	47%	0.473	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-44.2	173.4	-75.6	179.7	-179.1	0	0	110.6	M969 Q970 E971 A976 E977	M969-M973 HydrophobicContact CE-CE 4.32Å; M969-M973 HydrophobicContact CG-CE 3.8Å; M969-M973 HydrophobicContact CG-SD 4.47Å; M969-M973 VanDerWaalsContact O-CG 3.32Å; M969-M973 WeakPolarHBondContact O-CG 3.09Å; M969-M973 PolarHBondContact O-N 3.07Å; M969-M973 HydrophobicContact SD-CE 3.92Å; Q970-M973 PolarHBondContact O-N 3.17Å; E971-M973 PolarHBondContact O-N 2.88Å; M973-A976 PolarHBondContact O-N 3.01Å; M973-E977 WeakPolarHBondContact O-CB 3.16Å; M973-E977 PolarHBondContact O-N 3.48Å
974	Y	78.3	Confident	77	Confident	121 Å²	121	87.6 Å²	87.6	48%	0.475	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-45.8	176.3	-177.7	-96.4	0	0	0	112.5	Q970 E971 A976 E977 L978	Q970-Y974 PolarHBondContact O-N 3.31Å; E971-Y974 PolarHBondContact O-N 3.2Å; Y974-A976 VanDerWaalsContact C-N 3.33Å; Y974-A976 PolarHBondContact O-N 2.85Å; Y974-E977 PolarHBondContact O-N 3.41Å; Y974-L978 VanDerWaalsContact O-CB 3.32Å; Y974-L978 WeakPolarHBondContact O-CB 3.46Å; Y974-L978 PolarHBondContact O-N 2.87Å
975	E	80	Confident	76.3	Confident	81 Å²	81	89.9 Å²	89.9	38%	0.379	41%	0.413	S	S	.	.	H	α-helix	trans	-54.7	-46.8	172.7	-76.9	176.3	155.5	0	0	112	K235 E971 L978 E979	K235-E975 IonicContact NZ-OE1 2.93Å; K235-E975 PolarHBondContact NZ-OE1 3.48Å; K235-E975 IonicContact NZ-OE2 3.37Å; K235-E975 PolarHBondContact NZ-OE2 3.3Å; E971-E975 WeakPolarHBondContact O-CG 3.14Å; E971-E975 PolarHBondContact O-N 2.89Å; E975-L978 PolarHBondContact O-N 2.94Å; E975-E979 PolarHBondContact O-N 3.11Å
976	A	72.7	Confident	76.1	Confident	35 Å²	35	96 Å²	96	29%	0.289	44%	0.439	S	S	.	.	H	α-helix	trans	-68.9	-37	-176.9	0	0	0	0	0	112.8	M972 M973 Y974 H980	M972-A976 VanDerWaalsContact O-CB 3.27Å; M972-A976 WeakPolarHBondContact O-CB 3.34Å; M972-A976 PolarHBondContact O-N 2.03Å; M973-A976 PolarHBondContact O-N 3.01Å; Y974-A976 VanDerWaalsContact C-N 3.33Å; Y974-A976 PolarHBondContact O-N 2.85Å; A976-H980 PolarHBondContact O-N 3.47Å
977	E	77	Confident	75.6	Confident	127 Å²	127	100 Å²	100	59%	0.593	46%	0.457	S	S	*	.	H	α-helix	trans	-69.1	-42.2	173.9	-174.5	164.8	-152	0	0	111.3	M973 Y974 E979 H980 L981	M973-E977 WeakPolarHBondContact O-CB 3.16Å; M973-E977 PolarHBondContact O-N 3.48Å; Y974-E977 PolarHBondContact O-N 3.41Å; E977-E979 VanDerWaalsContact C-N 3.33Å; E977-E979 PolarHBondContact O-N 3.22Å; E977-H980 WeakPolarHBondContact O-CB 3.02Å; E977-H980 PolarHBondContact O-N 2.94Å; E977-H980 VanDerWaalsContact O-N 3.11Å; E977-L981 HydrophobicContact CG-CD1 4.26Å; E977-L981 WeakPolarHBondContact O-CG 3.42Å; E977-L981 PolarHBondContact O-N 3.23Å
978	L	81.2	Confident	75	Confident	75 Å²	75	98.7 Å²	98.7	39%	0.393	46%	0.46	S	S	.	.	H	α-helix	trans	-59	-43.6	172.7	-164.3	86.9	0	0	0	111.4	Y974 E975 Q982	Y974-L978 VanDerWaalsContact O-CB 3.32Å; Y974-L978 WeakPolarHBondContact O-CB 3.46Å; Y974-L978 PolarHBondContact O-N 2.87Å; E975-L978 PolarHBondContact O-N 2.94Å; L978-Q982 WeakPolarHBondContact O-CB 3.08Å; L978-Q982 VanDerWaalsContact O-CG 3.26Å; L978-Q982 WeakPolarHBondContact O-CG 3.48Å; L978-Q982 PolarHBondContact O-N 3.05Å
979	E	77.4	Confident	74.1	Confident	99 Å²	99	100.2 Å²	100.2	46%	0.463	48%	0.484	S	S	.	.	H	α-helix	trans	-62.8	-38.7	173.3	-92.4	-155.8	-149.2	0	0	112.8	E975 E977 Q982 K983	E975-E979 PolarHBondContact O-N 3.11Å; E977-E979 VanDerWaalsContact C-N 3.33Å; E977-E979 PolarHBondContact O-N 3.22Å; E979-Q982 PolarHBondContact O-N 2.82Å; E979-K983 WeakPolarHBondContact O-CD 3.1Å; E979-K983 VanDerWaalsContact O-CG 3.22Å; E979-K983 WeakPolarHBondContact O-CG 3.04Å; E979-K983 PolarHBondContact O-N 3.49Å; E979-K983 VanDerWaalsContact OE2-CE 3.29Å; E979-K983 WeakPolarHBondContact OE2-CE 3.44Å; E979-K983 IonicContact OE2-NZ 3.39Å; E979-K983 PolarHBondContact OE2-NZ 3.09Å
980	H	74.6	Confident	73.2	Confident	107 Å²	107	105.8 Å²	105.8	50%	0.495	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-52.2	176.2	-167.8	-85.4	0	0	0	110.8	A976 E977 Q982 K983 E984	A976-H980 PolarHBondContact O-N 3.47Å; E977-H980 WeakPolarHBondContact O-CB 3.02Å; E977-H980 PolarHBondContact O-N 2.94Å; E977-H980 VanDerWaalsContact O-N 3.11Å; H980-Q982 VanDerWaalsContact C-N 3.26Å; H980-Q982 PolarHBondContact O-N 2.6Å; H980-K983 WeakPolarHBondContact O-CA 3.35Å; H980-K983 WeakPolarHBondContact O-CB 3.31Å; H980-K983 PolarHBondContact O-N 2.96Å; H980-E984 IonicContact CE1-OE1 3.18Å; H980-E984 PolarHBondContact CE1-OE1 2.96Å; H980-E984 IonicContact CE1-OE2 3.15Å; H980-E984 PolarHBondContact CE1-OE2 3.41Å; H980-E984 IonicContact ND1-OE1 3.06Å; H980-E984 IonicContact ND1-OE2 2.65Å; H980-E984 PolarHBondContact ND1-OE2 3.03Å; H980-E984 PolarHBondContact O-N 3.45Å
981	L	75.3	Confident	71.8	Confident	76 Å²	76	111.4 Å²	111.4	40%	0.398	52%	0.517	S	S	.	.	H	α-helix	trans	-58.9	-36.5	176.8	-67.3	170.1	0	0	0	111.7	E977 R985	E977-L981 HydrophobicContact CG-CD1 4.26Å; E977-L981 WeakPolarHBondContact O-CG 3.42Å; E977-L981 PolarHBondContact O-N 3.23Å; L981-R985 VanDerWaalsContact O-CB 3.31Å; L981-R985 WeakPolarHBondContact O-CB 3.44Å; L981-R985 WeakPolarHBondContact O-CG 3.42Å; L981-R985 PolarHBondContact O-N 2.97Å
982	Q	80.2	Confident	70.2	Confident	87 Å²	87	116.3 Å²	116.3	41%	0.407	53%	0.533	S	S	.	.	H	α-helix	trans	-67.6	-37.3	172.8	-75.7	-179.1	35.9	0	0	113.2	L978 E979 H980 K986	L978-Q982 WeakPolarHBondContact O-CB 3.08Å; L978-Q982 VanDerWaalsContact O-CG 3.26Å; L978-Q982 WeakPolarHBondContact O-CG 3.48Å; L978-Q982 PolarHBondContact O-N 3.05Å; E979-Q982 PolarHBondContact O-N 2.82Å; H980-Q982 VanDerWaalsContact C-N 3.26Å; H980-Q982 PolarHBondContact O-N 2.6Å; Q982-K986 WeakPolarHBondContact O-CB 3.33Å; Q982-K986 WeakPolarHBondContact O-CG 3.34Å; Q982-K986 PolarHBondContact O-N 2.98Å
983	K	76.6	Confident	68.9	Low	105 Å²	105	124.2 Å²	124.2	46%	0.457	57%	0.569	S	S	.	*	H	α-helix	trans	-68.7	-37	175.9	-70.9	158.6	-168.4	164	0	111.2	E979 H980 K986 K987	E979-K983 WeakPolarHBondContact O-CD 3.1Å; E979-K983 VanDerWaalsContact O-CG 3.22Å; E979-K983 WeakPolarHBondContact O-CG 3.04Å; E979-K983 PolarHBondContact O-N 3.49Å; E979-K983 VanDerWaalsContact OE2-CE 3.29Å; E979-K983 WeakPolarHBondContact OE2-CE 3.44Å; E979-K983 IonicContact OE2-NZ 3.39Å; E979-K983 PolarHBondContact OE2-NZ 3.09Å; H980-K983 WeakPolarHBondContact O-CA 3.35Å; H980-K983 WeakPolarHBondContact O-CB 3.31Å; H980-K983 PolarHBondContact O-N 2.96Å; K983-K986 PolarHBondContact O-N 3.49Å; K983-K987 PolarHBondContact O-N 3.08Å
984	E	73.7	Confident	67.9	Low	84 Å²	84	127.9 Å²	127.9	39%	0.393	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-44.5	173	-69	-177.5	128.1	0	0	112.5	H980 K986 K987 N988	H980-E984 IonicContact CE1-OE1 3.18Å; H980-E984 PolarHBondContact CE1-OE1 2.96Å; H980-E984 IonicContact CE1-OE2 3.15Å; H980-E984 PolarHBondContact CE1-OE2 3.41Å; H980-E984 IonicContact ND1-OE1 3.06Å; H980-E984 IonicContact ND1-OE2 2.65Å; H980-E984 PolarHBondContact ND1-OE2 3.03Å; H980-E984 PolarHBondContact O-N 3.45Å; E984-K986 PolarHBondContact O-N 3.43Å; E984-K987 PolarHBondContact O-N 3.28Å; E984-K987 VanDerWaalsContact O-N 3.08Å; E984-N988 WeakPolarHBondContact O-CB 3.15Å; E984-N988 VanDerWaalsContact O-CG 3.31Å; E984-N988 PolarHBondContact O-N 2.85Å
985	R	67.6	Low	66	Low	169 Å²	169	130.7 Å²	130.7	64%	0.638	60%	0.602	S	S	*	*	H	α-helix	trans	-54.8	-39.4	171.2	-74.9	168.8	-173.7	-160.6	2.4	111.6	L981	L981-R985 VanDerWaalsContact O-CB 3.31Å; L981-R985 WeakPolarHBondContact O-CB 3.44Å; L981-R985 WeakPolarHBondContact O-CG 3.42Å; L981-R985 PolarHBondContact O-N 2.97Å
986	K	72	Confident	63.7	Low	169 Å²	169	137.1 Å²	137.1	74%	0.735	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-39.8	174.3	-76.6	174.9	-179.5	175.5	0	113.3	Q982 K983 E984	Q982-K986 WeakPolarHBondContact O-CB 3.33Å; Q982-K986 WeakPolarHBondContact O-CG 3.34Å; Q982-K986 PolarHBondContact O-N 2.98Å; K983-K986 PolarHBondContact O-N 3.49Å; E984-K986 PolarHBondContact O-N 3.43Å
987	K	71	Confident	62.1	Low	183 Å²	183	143.6 Å²	143.6	80%	0.796	66%	0.662	S	S	*	*	H	α-helix	trans	-65.1	-39.2	174.4	-88.2	-173.9	170.4	-176.6	0	112.9	K983 E984 G989	K983-K987 PolarHBondContact O-N 3.08Å; E984-K987 PolarHBondContact O-N 3.28Å; E984-K987 VanDerWaalsContact O-N 3.08Å; K987-G989 VanDerWaalsContact C-N 3.26Å; K987-G989 PolarHBondContact O-N 2.94Å
988	N	68.6	Low	61.4	Low	119 Å²	119	144.4 Å²	144.4	64%	0.636	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	6	-170.6	-65.5	-8	0	0	0	114	E984 R990	E984-N988 WeakPolarHBondContact O-CB 3.15Å; E984-N988 VanDerWaalsContact O-CG 3.31Å; E984-N988 PolarHBondContact O-N 2.85Å; N988-R990 PolarHBondContact O-N 3.25Å
989	G	59	Low	60.3	Low	69 Å²	69	148.1 Å²	148.1	71%	0.711	68%	0.68	S	S	*	*			trans	66.1	-10.2	166.5	0	0	0	0	0	117.5	K987	K987-G989 VanDerWaalsContact C-N 3.26Å; K987-G989 PolarHBondContact O-N 2.94Å
990	R	54.3	Low	59.4	Low	189 Å²	189	150.8 Å²	150.8	71%	0.713	69%	0.692	S	S	*	*			trans	-94.7	108.5	-171.8	-79.2	171.9	163.7	-150.2	-1.6	111.9	N988 Y992	N988-R990 PolarHBondContact O-N 3.25Å; R990-Y992 HydrophobicContact CB-CD2 3.97Å; R990-Y992 HydrophobicContact CB-CE2 3.83Å; R990-Y992 HydrophobicContact CG-CE2 4.18Å; R990-Y992 PolarHBondContact O-N 3.28Å
991	R	47.9	Very low	58.5	Low	247 Å²	247	153.4 Å²	153.4	93%	0.932	70%	0.704	S	S	*	*			trans	-69	112	161.2	-76.2	-176	176.3	179	-1	109.2
992	Y	48.8	Very low	57.4	Low	183 Å²	183	158.2 Å²	158.2	72%	0.718	72%	0.723	S	S	*	*			trans	-117.9	154.8	156.3	-74.6	-81.9	0	0	0	108.5	R990	R990-Y992 HydrophobicContact CB-CD2 3.97Å; R990-Y992 HydrophobicContact CB-CE2 3.83Å; R990-Y992 HydrophobicContact CG-CE2 4.18Å; R990-Y992 PolarHBondContact O-N 3.28Å
993	H	43.5	Very low	55.9	Low	187 Å²	187	162.9 Å²	162.9	87%	0.866	74%	0.744	S	S	*	*			trans	-71.1	163.2	-166.4	-85.1	-108.4	0	0	0	113.6	E995	H993-E995 PolarHBondContact O-N 3Å
994	H	46.8	Very low	54.4	Low	174 Å²	174	167.1 Å²	167.1	81%	0.806	77%	0.765	S	S	*	*			trans	-70.2	106.8	175.7	-80.3	-77	0	0	0	111.1
995	E	37.1	Very low	53	Low	179 Å²	179	173.5 Å²	173.5	84%	0.836	79%	0.793	S	S	*	*			trans	-113.1	134	149.3	-68.8	-177.3	150.1	0	0	108.1	H993	H993-E995 PolarHBondContact O-N 3Å
996	W	31.6	Very low	51.7	Low	217 Å²	217	173.8 Å²	173.8	82%	0.822	81%	0.806	S	S	*	*			trans	-87.3	145.8	168	-86.3	70.5	0	0	0	108.5
997	P	40.3	Very low	49.9	Very low	170 Å²	170	174.3 Å²	174.3	100%	1.104	81%	0.813	S	S	*	*			trans	-73.8	0	164.2	35.2	-34.7	0	0	0	111.8

Retrieved 997 of 997 residues in 344.8 ms (Link to these results)

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