A0A3Q0KSC1_SCHMA Loading...

General transcription and DNA repair factor IIH helicase/translocase subunit XPB

AlphaFold DB , UniProt , Accession A0A3Q0KSC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 946 aa.

						>A0A3Q0KSC1_SCHMA|A0A3Q0KSC1
MGRPDSRKRGRNTKYVKESDSKRTRTTIYRPEDEDSTMSGSLDFDNESNEDVYDNSEVNDSNIKKISKVGSEIDDDVDDNVDNDGDDDADIDEYESGIMDADELRVASRAQITKTRQQHNSSVNKPTETTVVCTPKDEFGAKDMRNILKLRLDHPSRPLWIGPDGHIFLETFNPLARQAQDFLIAISEPVCRPLHIHEYKLTSYSLYAAVSVGLRTGEIIGCLRRLCKTNLPEGIVAYIRSCTLSYGKAKLVLKGGRYFVESPHRQFLHQLANDKTVQQCLNKTKIITEDDDIKQQVVEVVKLYNAASLVIQPQHQQEDNREIPTDKETGIQDEMLRLYARLDADEEVGETNSIVVDTTKKSGNSFWEQPSDTVNINAIGIESDVADREGELMDIKDNGNIAGIKLVFDSSVPNDPKTPAVLALEVNQDQIEILQRRCIELEVPLLTEYDFRLDRANKDILIDLKASTTLRPYQEKSLRKMFGNGRARSGVIVLPCGAGKTLVGVTAACTIRKPTFVLCTSGVAVEQWRAQFKLWSTIEDGQILRFTSDAKDRPNINSHICISTYSMIAHSAKRSYEADRMMNWIRSQEWGLMILDEVHTIPAKMFRRVLTLVQAHCKLGLTATLVREDDKITDLNFLIGPKLYEANWLELQQRGFIARVQCAEVWCPVTPEFYREYLNMKSMKKLLLTAMNPNKFRVCEYLIRYHERRNDKIIIFSDNVFALKYYATKMGRPFLYGPTGQAERMQILQNFQHNPNVPAIFVSKVADNSFDLPEATVLIQISAHGGSRRQEAQRLGRILRAKRGMDAEAYNAFFYSLVSQDTMEMQYALKRQRFLVNQGYSYKVITRLAGMETESLKLSTKQEQAELLNRVLASTDEDAMEEKLPADPDSFNYTNISTGISGLIRKSSKMSSLSGADDAIYVDTSSSAARKDKLKERHPLFRLFRR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	39.4	Very low	250 Å²	250	176.9 Å²	176.9	100%	1.232	88%	0.878	S	S	*	*				0	106.5	0	-81.3	-89.1	-152.7	0	0	108.1
2	G	46.3	Very low	38.7	Very low	80 Å²	80	175.4 Å²	175.4	83%	0.825	88%	0.876	S	S	*	*			trans	62.5	131.4	165	0	0	0	0	0	120.5
3	R	42.4	Very low	38.6	Very low	247 Å²	247	172.4 Å²	172.4	93%	0.932	87%	0.873	S	S	*	*			cis	-167.8	161.3	-33.9	-115.8	-163.8	174.2	176	-1.4	105.8
4	P	50.9	Low	38.4	Very low	101 Å²	101	173.9 Å²	173.9	66%	0.656	87%	0.87	S	S	*	*			trans	-121.1	-169.7	-157.2	36.9	-18.4	0	0	0	115.2
5	D	37	Very low	37.8	Very low	148 Å²	148	177.1 Å²	177.1	79%	0.791	87%	0.87	S	S	*	*			trans	74.1	125.9	155.3	-72.3	-35.5	0	0	0	121.4
6	S	39.6	Very low	37.6	Very low	121 Å²	121	174.4 Å²	174.4	85%	0.846	87%	0.867	S	S	*	*				178.4	144.6	102.4	49.9	0	0	0	0	115.3
7	R	34.6	Very low	37.2	Very low	236 Å²	236	175.6 Å²	175.6	89%	0.891	87%	0.866	S	S	*	*			trans	-62.8	156.6	179.1	-62.6	158.6	164.8	170.5	-5.7	114.9
8	K	39	Very low	37	Very low	194 Å²	194	176.2 Å²	176.2	84%	0.843	87%	0.866	S	S	*	*				175.3	121.5	115.2	-97.2	169.1	-178.4	176.7	0	115.2
9	R	34.2	Very low	36.5	Very low	241 Å²	241	172.6 Å²	172.6	91%	0.909	86%	0.86	S	S	*	*				44.7	127.3	128.5	-66.7	-175.8	174.5	-177.1	-2.9	120.9
10	G	33.1	Very low	36.4	Very low	76 Å²	76	171.9 Å²	171.9	78%	0.784	86%	0.86	S	S	*	*			trans	-85	-170.7	-179.8	0	0	0	0	0	118
11	R	36.7	Very low	36	Very low	252 Å²	252	168.8 Å²	168.8	95%	0.951	85%	0.854	S	S	*	*			trans	-165.6	137.3	163.5	-112.4	173.3	-178.8	177.2	-0.7	111.4
12	N	31.2	Very low	35.8	Very low	159 Å²	159	166.2 Å²	166.2	85%	0.85	84%	0.836	S	S	*	*			trans	-54.6	146.9	170.9	-72.8	-29.8	0	0	0	114.6
13	T	37.2	Very low	34.8	Very low	136 Å²	136	174.4 Å²	174.4	83%	0.834	84%	0.842	S	S	*	*			trans	-162	103.8	142.5	29.8	0	0	0	0	107.5
14	K	35.5	Very low	34.3	Very low	193 Å²	193	169.2 Å²	169.2	84%	0.839	84%	0.838	S	S	*	*				71.5	105.4	90.9	-86.5	-168.4	177.2	-177.5	0	115.8
15	Y	30.6	Very low	33.2	Very low	222 Å²	222	175.1 Å²	175.1	87%	0.871	85%	0.847	S	S	*	*			trans	14.9	124.6	140.6	-73	-89.5	0	0	0	119.6
16	V	33.8	Very low	32.8	Very low	135 Å²	135	174.8 Å²	174.8	82%	0.818	85%	0.85	S	S	*	*			trans	-135.5	121.4	140.8	177.4	0	0	0	0	108.4
17	K	30.7	Very low	32.4	Very low	194 Å²	194	174.9 Å²	174.9	84%	0.843	85%	0.846	S	S	*	*			trans	-75.6	133.2	163.1	-84	176.8	169.6	179.4	0	107.7
18	E	33.5	Very low	32.1	Very low	186 Å²	186	170.8 Å²	170.8	87%	0.869	84%	0.84	S	S	*	*			trans	-142.9	105.5	151.2	-113.8	170.3	-167	0	0	108.7
19	S	28.7	Very low	31.7	Very low	108 Å²	108	172.1 Å²	172.1	76%	0.755	84%	0.842	S	S	*	*			trans	-73.5	125.2	160.6	46.5	0	0	0	0	108.1
20	D	33.9	Very low	31.4	Very low	159 Å²	159	169.5 Å²	169.5	85%	0.85	83%	0.832	S	S	*	*			trans	-153.4	124	148.3	-109.4	-19.9	0	0	0	112.8
21	S	28.6	Very low	31.8	Very low	106 Å²	106	171.7 Å²	171.7	74%	0.741	83%	0.832	S	S	*	*			trans	-55	120.9	174.4	43.7	0	0	0	0	113.3
22	K	33.3	Very low	31.6	Very low	196 Å²	196	166.5 Å²	166.5	85%	0.852	82%	0.819	S	S	*	*			trans	-142.9	113.9	151.8	-75.6	-169.1	179.5	166.4	0	111.6	T24	K22-T24 PolarHBondContact O-N 2.98Å
23	R	26.9	Very low	31.9	Very low	253 Å²	253	166.8 Å²	166.8	96%	0.955	82%	0.821	S	S	*	*			trans	-40.4	118.5	158.3	-76.2	169.3	163.3	171.7	-6.2	110.3
24	T	31.3	Very low	31.7	Very low	138 Å²	138	168.8 Å²	168.8	85%	0.847	82%	0.82	S	S	*	*			trans	-118.9	102.3	163.6	37.8	0	0	0	0	109.9	K22	K22-T24 PolarHBondContact O-N 2.98Å
25	R	28.7	Very low	31.6	Very low	225 Å²	225	166.8 Å²	166.8	85%	0.849	82%	0.819	S	S	*	*			trans	-38.4	126.6	169.5	-155.1	174.4	-171.1	170.3	0	112	T27	R25-T27 PolarHBondContact O-N 3.23Å
26	T	28.4	Very low	31.6	Very low	140 Å²	140	161.2 Å²	161.2	86%	0.859	81%	0.812	S	S	*	*			trans	-58.9	99.5	159.9	4.2	0	0	0	0	108.3	I28	T26-I28 PolarHBondContact O-N 3.48Å
27	T	29.5	Very low	31.3	Very low	124 Å²	124	161.6 Å²	161.6	76%	0.761	82%	0.815	S	S	*	*			trans	-81.4	106.5	169.2	22.1	0	0	0	0	108.9	R25 Y29	R25-T27 PolarHBondContact O-N 3.23Å; T27-Y29 PolarHBondContact O-N 2.99Å
28	I	30.1	Very low	31.3	Very low	149 Å²	149	160.5 Å²	160.5	76%	0.764	82%	0.815	S	S	*	*			trans	-56.1	117.1	162.6	-64.6	165.2	0	0	0	107.4	T26 R30	T26-I28 PolarHBondContact O-N 3.48Å; I28-R30 HydrophobicContact CG2-CG 4.43Å; I28-R30 PolarHBondContact O-N 3.25Å
29	Y	29	Very low	31	Very low	223 Å²	223	156.9 Å²	156.9	88%	0.875	81%	0.81	S	S	*	*			trans	-81.1	98.8	167.5	-137.8	-94.3	0	0	0	107.1	T27	T27-Y29 PolarHBondContact O-N 2.99Å
30	R	28	Very low	31	Very low	185 Å²	185	154.8 Å²	154.8	70%	0.698	81%	0.806	S	S	*	*			trans	-80.8	129.2	160.8	-89.7	-176.1	172	-178.4	-2.4	107.7	I28 E32	I28-R30 HydrophobicContact CG2-CG 4.43Å; I28-R30 PolarHBondContact O-N 3.25Å; R30-E32 IonicContact NH1-OE1 3.76Å; R30-E32 PolarHBondContact NH1-OE1 3.49Å; R30-E32 PolarHBondContact O-N 3.4Å
31	P	41.6	Very low	30.8	Very low	123 Å²	123	152.2 Å²	152.2	80%	0.799	80%	0.8	S	S	*	*			trans	-80.6	103.9	152.2	25.4	-13.1	0	0	0	107.2
32	E	32.2	Very low	31	Very low	142 Å²	142	154 Å²	154	66%	0.664	80%	0.801	S	S	*	*			trans	-88.3	104.9	156.7	-72.7	178.2	-176.2	0	0	105.5	R30	R30-E32 IonicContact NH1-OE1 3.76Å; R30-E32 PolarHBondContact NH1-OE1 3.49Å; R30-E32 PolarHBondContact O-N 3.4Å
33	D	38	Very low	30.8	Very low	166 Å²	166	151.4 Å²	151.4	89%	0.888	80%	0.796	S	S	*	*			trans	-138.9	118.1	148.2	-85.2	-37.6	0	0	0	106.5
34	E	33	Very low	31	Very low	178 Å²	178	148.3 Å²	148.3	83%	0.832	79%	0.79	S	S	*	*			trans	-64.7	132.4	-178.4	-58.9	169	147.1	0	0	109.5
35	D	33.2	Very low	31.1	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	78%	0.784	S	S	*	*				174.4	126.3	120.5	-89.2	-28.3	0	0	0	112.6
36	S	30.5	Very low	31.2	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	78%	0.781	S	S	*	*			trans	76.1	73.5	148.1	-55.5	0	0	0	0	118.7	M38	S36-M38 PolarHBondContact O-N 2.85Å
37	T	28.2	Very low	31.4	Very low	143 Å²	143	146.5 Å²	146.5	88%	0.877	78%	0.781	S	S	*	*			trans	-60.5	108.3	132.7	43.1	0	0	0	0	109.2
38	M	30.1	Very low	31.4	Very low	172 Å²	172	145.4 Å²	145.4	85%	0.847	78%	0.778	S	S	*	*			trans	-119.3	94.8	153.8	-91.8	-73.4	-169.9	0	0	107.1	S36 G40	S36-M38 PolarHBondContact O-N 2.85Å; M38-G40 PolarHBondContact O-N 2.76Å
39	S	27.8	Very low	31.5	Very low	110 Å²	110	146.1 Å²	146.1	77%	0.769	78%	0.784	S	S	*	*			trans	-57	105.8	150.8	48.6	0	0	0	0	107.9
40	G	29.4	Very low	31.6	Very low	64 Å²	64	143.9 Å²	143.9	66%	0.66	78%	0.781	S	S	*	*			trans	-110.4	85.1	168.3	0	0	0	0	0	109	M38 L42	M38-G40 PolarHBondContact O-N 2.76Å; G40-L42 PolarHBondContact O-N 3Å
41	S	29	Very low	31.8	Very low	105 Å²	105	143 Å²	143	73%	0.734	79%	0.791	S	S	*	*			trans	-58.9	111.6	153.2	43	0	0	0	0	107.8
42	L	32.5	Very low	31.3	Very low	143 Å²	143	142.6 Å²	142.6	75%	0.749	79%	0.785	S	S	*	*			trans	-106.8	94.4	165.7	-94.2	158.8	0	0	0	106.9	G40 F44	G40-L42 PolarHBondContact O-N 3Å; L42-F44 PolarHBondContact O-N 3.15Å
43	D	28.7	Very low	31.4	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	80%	0.799	S	S	*	*			trans	-59.1	115.6	157.9	-62.9	-44.9	0	0	0	107.7
44	F	32	Very low	31	Very low	187 Å²	187	145.1 Å²	145.1	82%	0.82	79%	0.787	S	S	*	*			trans	-102.3	88.2	159.8	-91.1	-83.9	0	0	0	107.2	L42	L42-F44 PolarHBondContact O-N 3.15Å
45	D	32.9	Very low	30.8	Very low	135 Å²	135	142.9 Å²	142.9	72%	0.722	78%	0.781	S	S	*	*			trans	-81.3	146.5	158.5	-81.4	-32.1	0	0	0	109.6
46	N	30.4	Very low	30.7	Very low	147 Å²	147	140.9 Å²	140.9	79%	0.786	78%	0.778	S	S	*	*			trans	73	102.4	162.1	-67.4	-19.5	0	0	0	117.2
47	E	33	Very low	30.5	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	79%	0.786	S	S	*	*				-173	133.8	83.7	-107.3	166.3	-167.7	0	0	111
48	S	30.6	Very low	30.7	Very low	101 Å²	101	144.5 Å²	144.5	71%	0.706	78%	0.783	S	S	*	*			trans	-46	131.2	169.1	46.8	0	0	0	0	113.5
49	N	32.2	Very low	30.7	Very low	165 Å²	165	143 Å²	143	88%	0.882	78%	0.778	S	S	*	*			trans	-149.2	112.5	133.4	-92	-34.4	0	0	0	108.9
50	E	29.7	Very low	30.8	Very low	176 Å²	176	146 Å²	146	82%	0.822	79%	0.786	S	S	*	*			trans	-56.7	131.8	161.8	-61.9	169.9	148.7	0	0	108.6
51	D	32.4	Very low	30.8	Very low	167 Å²	167	147.3 Å²	147.3	89%	0.893	78%	0.784	S	S	*	*			trans	-150.3	119.2	142.2	-94.6	-31.8	0	0	0	109.6
52	V	32.6	Very low	30.9	Very low	114 Å²	114	149.3 Å²	149.3	69%	0.691	79%	0.787	S	S	*	*			trans	-76.8	125.3	-175.5	171.3	0	0	0	0	109.3	D54	V52-D54 HydrophobicContact CG1-CB 4.29Å
53	Y	33.6	Very low	30.9	Very low	241 Å²	241	150.8 Å²	150.8	95%	0.945	79%	0.794	S	S	*	*			trans	-134.5	106.1	146.8	-89.6	-79.1	0	0	0	109.4
54	D	29.7	Very low	31	Very low	119 Å²	119	151.3 Å²	151.3	64%	0.636	79%	0.789	S	S	*	*			trans	-97.6	155.1	-178.9	-164.1	18.4	0	0	0	109.6	V52	V52-D54 HydrophobicContact CG1-CB 4.29Å
55	N	28.8	Very low	30.9	Very low	131 Å²	131	151.8 Å²	151.8	70%	0.701	79%	0.791	S	S	*	*			trans	73.5	106.6	163	-56.2	-54.7	0	0	0	119.9
56	S	29.8	Very low	30.7	Very low	108 Å²	108	153.7 Å²	153.7	76%	0.755	80%	0.8	S	S	*	*				-161.5	113.4	112.2	59.5	0	0	0	0	111.2
57	E	28	Very low	30.5	Very low	190 Å²	190	151.2 Å²	151.2	89%	0.888	79%	0.794	S	S	*	*			trans	-50.3	129.3	161.4	-62.7	171.1	139.6	0	0	110.6
58	V	31.8	Very low	30.2	Very low	134 Å²	134	152 Å²	152	81%	0.812	79%	0.794	S	S	*	*			trans	-126.9	100.7	160.6	-176.5	0	0	0	0	108.9
59	N	29.7	Very low	30.2	Very low	140 Å²	140	154.4 Å²	154.4	75%	0.749	80%	0.804	S	S	*	*			trans	-5.5	121.1	161.6	-73.4	-37	0	0	0	118.6	S61	N59-S61 PolarHBondContact O-N 2.92Å; N59-S61 VanDerWaalsContact O-N 3.13Å
60	D	29.6	Very low	29.9	Very low	174 Å²	174	149.3 Å²	149.3	93%	0.93	79%	0.791	S	S	*	*	S	Bend	trans	-48.5	101.6	141.9	-91.3	-36.1	0	0	0	111.2
61	S	30.1	Very low	29.9	Very low	91 Å²	91	145.9 Å²	145.9	64%	0.636	79%	0.786	S	S	*	*			trans	-163.6	5.8	158.4	65.9	0	0	0	0	118.3	N59	N59-S61 PolarHBondContact O-N 2.92Å; N59-S61 VanDerWaalsContact O-N 3.13Å
62	N	30.9	Very low	29.7	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	78%	0.784	S	S	*	*			trans	-117.9	10.2	-167.7	-77.7	-18.3	0	0	0	118.6
63	I	33.4	Very low	29.8	Very low	174 Å²	174	149.1 Å²	149.1	89%	0.892	79%	0.792	S	S	*	*	S	Bend	trans	-103.4	32.2	178.3	-53.7	178.2	0	0	0	112.5
64	K	29.4	Very low	29.6	Very low	154 Å²	154	144.4 Å²	144.4	67%	0.67	78%	0.783	S	S	*	*	S	Bend	trans	-130.5	19.2	177.4	-78.7	-163.6	179.2	-166	0	116.3	E128	K64-E128 VanDerWaalsContact CE-OE2 3.28Å; K64-E128 WeakPolarHBondContact CE-OE2 3.28Å; K64-E128 IonicContact NZ-OE2 2.69Å; K64-E128 PolarHBondContact NZ-OE2 2.89Å
65	K	29.6	Very low	29.8	Very low	196 Å²	196	145.7 Å²	145.7	85%	0.852	79%	0.79	S	S	*	*			trans	-123.8	56.5	176.6	-81.7	-175.4	176.5	175.7	0	113
66	I	30	Very low	30.1	Very low	176 Å²	176	146.8 Å²	146.8	90%	0.903	80%	0.796	S	S	*	*	S	Bend	trans	-136.2	60.9	161.7	-50.6	178.2	0	0	0	108.1
67	S	25.9	Very low	30.4	Very low	95 Å²	95	148.3 Å²	148.3	66%	0.664	80%	0.801	S	S	*	*	S	Bend	trans	-160.2	128.9	162.5	71.1	0	0	0	0	107.7
68	K	27.4	Very low	30.7	Very low	200 Å²	200	145.7 Å²	145.7	87%	0.87	79%	0.792	S	S	*	*			trans	76	91.8	-174.5	-60.3	176.4	173	175	0	116.3
69	V	29.2	Very low	31	Very low	151 Å²	151	146.5 Å²	146.5	92%	0.915	79%	0.792	S	S	*	*				-142.1	115.2	123.5	-176.6	0	0	0	0	106.6
70	G	27.4	Very low	31.3	Very low	58 Å²	58	146 Å²	146	60%	0.598	79%	0.79	S	S	*	*			trans	-101.9	162.4	164.8	0	0	0	0	0	109.7
71	S	27.8	Very low	31.7	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	79%	0.785	S	S	*	*			trans	62	119.1	156.6	57.5	0	0	0	0	119.3
72	E	29.3	Very low	31.9	Very low	179 Å²	179	147 Å²	147	84%	0.836	79%	0.792	S	S	*	*			trans	71.2	118.2	139.2	-63.3	172.3	-173.2	0	0	117.9
73	I	33.7	Very low	31.9	Very low	170 Å²	170	147.5 Å²	147.5	87%	0.872	80%	0.795	S	S	*	*				178	130.6	124.7	-84.3	150.5	0	0	0	108.2
74	D	29.7	Very low	31.9	Very low	142 Å²	142	146.9 Å²	146.9	76%	0.759	79%	0.794	S	S	*	*			trans	-70.9	176.7	174.2	-70.1	-55.3	0	0	0	113
75	D	34.5	Very low	31.9	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	80%	0.795	S	S	*	*			trans	102.1	97.5	156.1	-55.7	-26	0	0	0	118.9
76	D	34.4	Very low	32.1	Very low	155 Å²	155	141 Å²	141	83%	0.829	80%	0.795	S	S	*	*				28.3	108.4	128.4	-61.1	-25.3	0	0	0	120.2
77	V	37.5	Very low	32.5	Very low	140 Å²	140	140.3 Å²	140.3	85%	0.848	79%	0.793	S	S	*	*			trans	-148.3	123.9	141.5	-175.8	0	0	0	0	110.1
78	D	34.3	Very low	33	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	80%	0.798	S	S	*	*			trans	-82.4	130.5	171.5	-169.5	15.2	0	0	0	109.1
79	D	38	Very low	33.3	Very low	152 Å²	152	136.9 Å²	136.9	81%	0.813	79%	0.788	S	S	*	*			trans	-161.8	122.5	157.3	-99.4	-30	0	0	0	112
80	N	35	Very low	33.7	Very low	130 Å²	130	135.3 Å²	135.3	70%	0.695	78%	0.775	S	S	*	*			trans	-68.7	126.8	179.8	-64.2	-78.3	0	0	0	112
81	V	38	Very low	33.9	Very low	136 Å²	136	139.7 Å²	139.7	82%	0.824	78%	0.783	S	S	*	*			trans	-140.4	104.3	152	-176.4	0	0	0	0	108.2	N83	V81-N83 PolarHBondContact O-N 3.04Å
82	D	34.7	Very low	34.1	Very low	148 Å²	148	140.6 Å²	140.6	79%	0.791	78%	0.78	S	S	*	*			trans	-62.8	122	167.8	-63.6	-49.2	0	0	0	109.6
83	N	31.5	Very low	34.4	Very low	158 Å²	158	138.8 Å²	138.8	85%	0.845	77%	0.771	S	S	*	*			trans	-142.3	93.2	159.5	-149.4	18.7	0	0	0	108.7	V81	V81-N83 PolarHBondContact O-N 3.04Å
84	D	31.7	Very low	34.6	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	77%	0.766	S	S	*	*			trans	-72.6	125.4	172.1	-75.7	-44.7	0	0	0	110.2
85	G	30.6	Very low	34.7	Very low	68 Å²	68	141.5 Å²	141.5	70%	0.701	77%	0.769	S	S	*	*			trans	120.9	85.5	158.7	0	0	0	0	0	114.4
86	D	33.6	Very low	34.4	Very low	159 Å²	159	136.9 Å²	136.9	85%	0.85	75%	0.748	S	S	*	*			trans	-129.4	108.3	153.2	-81.8	-41.5	0	0	0	108.1	D88	D86-D88 PolarHBondContact O-N 3.17Å
87	D	38.1	Very low	34.2	Very low	162 Å²	162	133.1 Å²	133.1	87%	0.866	75%	0.745	S	S	*	*			trans	-59.2	116.7	164.2	-72.6	-49.7	0	0	0	107.4	A89	D87-A89 PolarHBondContact O-N 3.37Å
88	D	35.9	Very low	34.3	Very low	141 Å²	141	133 Å²	133	75%	0.754	74%	0.738	S	S	*	*			trans	-61.6	82.5	171.1	-72.2	-44.9	0	0	0	109.4	D86 D90	D86-D88 PolarHBondContact O-N 3.17Å; D88-D90 VanDerWaalsContact C-N 3.26Å; D88-D90 PolarHBondContact O-N 3.01Å
89	A	35.1	Very low	34.8	Very low	82 Å²	82	129.2 Å²	129.2	68%	0.678	72%	0.717	S	S	*	*			trans	-68.5	93.1	158.7	0	0	0	0	0	106.4	D87 I91	D87-A89 PolarHBondContact O-N 3.37Å; A89-I91 PolarHBondContact O-N 3.42Å
90	D	37.3	Very low	35.7	Very low	118 Å²	118	125.4 Å²	125.4	63%	0.631	70%	0.697	S	S	*	*			trans	-52.3	86.7	162.6	-75.5	-21.2	0	0	0	108.3	D88 D92 K830	D88-D90 VanDerWaalsContact C-N 3.26Å; D88-D90 PolarHBondContact O-N 3.01Å; D90-D92 PolarHBondContact O-N 3.21Å; D90-K830 IonicContact OD2-NZ 3.94Å; D90-K830 PolarHBondContact OD2-NZ 2.92Å
91	I	31.3	Very low	36.9	Very low	149 Å²	149	121.5 Å²	121.5	76%	0.764	68%	0.682	S	S	*	*			trans	-58.7	129.7	166.9	-69.9	168.4	0	0	0	106.2	A89 E93	A89-I91 PolarHBondContact O-N 3.42Å; I91-E93 PolarHBondContact O-N 2.91Å
92	D	31.2	Very low	38.1	Very low	124 Å²	124	115.6 Å²	115.6	66%	0.663	65%	0.646	S	S	*	*			trans	-49.9	97.8	-176.8	-71.2	-57.2	0	0	0	111.9	D90 Y94 E95	D90-D92 PolarHBondContact O-N 3.21Å; D92-Y94 PolarHBondContact O-N 3.4Å; D92-E95 PolarHBondContact O-N 2.74Å
93	E	36.1	Very low	39.5	Very low	141 Å²	141	109.9 Å²	109.9	66%	0.659	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	19.6	-175.2	-148.7	174	-164.1	0	0	113.6	I91 S96	I91-E93 PolarHBondContact O-N 2.91Å; E93-S96 WeakPolarHBondContact CG-OG 3.38Å
94	Y	37.4	Very low	41	Very low	192 Å²	192	106 Å²	106	75%	0.753	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-8	161.6	-83.6	-84	0	0	0	112.6	D92	D92-Y94 PolarHBondContact O-N 3.4Å
95	E	31.5	Very low	42.6	Very low	176 Å²	176	101.9 Å²	101.9	82%	0.822	57%	0.566	S	S	*	*	S	Bend	trans	-100.3	-6.2	168.5	-80.9	-168.7	157.1	0	0	113.6	D92 G97	D92-E95 PolarHBondContact O-N 2.74Å; E95-G97 PolarHBondContact O-N 2.79Å; E95-G97 VanDerWaalsContact O-N 3.08Å
96	S	28.7	Very low	44.1	Very low	49 Å²	49	98.7 Å²	98.7	34%	0.343	53%	0.533	S	S	.	.	S	Bend	trans	-69.6	109.5	164.4	72.4	0	0	0	0	107.4	E93 I98	E93-S96 WeakPolarHBondContact CG-OG 3.38Å; S96-I98 PolarHBondContact O-N 3.25Å
97	G	30.2	Very low	45.4	Very low	75 Å²	75	92.2 Å²	92.2	77%	0.773	50%	0.501	S	S	*	.			trans	-66.5	29.9	-178.9	0	0	0	0	0	114.7	E95 M99	E95-G97 PolarHBondContact O-N 2.79Å; E95-G97 VanDerWaalsContact O-N 3.08Å; G97-M99 PolarHBondContact O-N 2.69Å
98	I	40.4	Very low	46.4	Very low	137 Å²	137	87.2 Å²	87.2	70%	0.703	48%	0.479	S	S	*	.			trans	-78.1	100.9	178.7	-55.2	177.2	0	0	0	107.1	S96 D100	S96-I98 PolarHBondContact O-N 3.25Å; I98-D100 PolarHBondContact O-N 2.97Å
99	M	44.6	Very low	47.6	Very low	56 Å²	56	81.4 Å²	81.4	28%	0.276	45%	0.447	S	S	.	.			trans	-59.8	133.4	173.4	-67	179.7	65.8	0	0	110	G97 E103 L104 A107 V131	G97-M99 PolarHBondContact O-N 2.69Å; M99-E103 HydrophobicContact CE-CB 4.13Å; M99-L104 HydrophobicContact CB-CD1 4.18Å; M99-L104 HydrophobicContact CB-CD2 3.89Å; M99-L104 HydrophobicContact CB-CG 3.67Å; M99-L104 HydrophobicContact CE-CD2 4.09Å; M99-L104 HydrophobicContact CE-CG 4.44Å; M99-L104 HydrophobicContact CG-CD2 4.45Å; M99-L104 WeakPolarHBondContact O-CD1 3.48Å; M99-L104 HydrophobicContact SD-CD2 3.83Å; M99-A107 HydrophobicContact CE-CB 4.23Å; M99-V131 HydrophobicContact CE-CG1 4.48Å; M99-V131 HydrophobicContact SD-CG1 4.21Å
100	D	57.2	Low	48.6	Very low	72 Å²	72	79.2 Å²	79.2	39%	0.385	43%	0.428	S	S	.	.			trans	-56.4	146	172.6	-170.3	-11.6	0	0	0	110.2	I98 D102 E103 L104 K200	I98-D100 PolarHBondContact O-N 2.97Å; D100-D102 PolarHBondContact O-N 2.87Å; D100-E103 HydrophobicContact CB-CB 4.28Å; D100-E103 HydrophobicContact CB-CG 4.05Å; D100-E103 WeakPolarHBondContact O-CA 3.45Å; D100-E103 WeakPolarHBondContact O-CB 3.43Å; D100-E103 PolarHBondContact O-N 3.17Å; D100-L104 PolarHBondContact O-N 3.37Å; D100-K200 WeakPolarHBondContact OD2-CE 3.48Å; D100-K200 IonicContact OD2-NZ 4Å; D100-K200 PolarHBondContact OD2-NZ 2.9Å
101	A	60.3	Low	49	Very low	47 Å²	47	75.5 Å²	75.5	39%	0.388	41%	0.407	S	S	.	.	H	α-helix	trans	-56.6	-35.2	179.9	0	0	0	0	0	111.9	R105	A101-R105 WeakPolarHBondContact O-CG 3.22Å; A101-R105 PolarHBondContact O-N 3.31Å
102	D	62.4	Low	49.8	Very low	12 Å²	12	73.5 Å²	73.5	6%	0.064	40%	0.397	C	S	.	.	H	α-helix	trans	-69.4	-38.7	173.6	-81.9	-30.2	0	0	0	112.1	D100 L104 R105 V106 T202 Y238	D100-D102 PolarHBondContact O-N 2.87Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 3.17Å; D102-R105 WeakPolarHBondContact O-CB 3.41Å; D102-R105 PolarHBondContact O-N 3.29Å; D102-R105 VanDerWaalsContact O-N 3.16Å; D102-R105 IonicContact OD1-CZ 3.31Å; D102-R105 IonicContact OD1-NH1 3.05Å; D102-R105 PolarHBondContact OD1-NH1 3.33Å; D102-V106 WeakPolarHBondContact O-CG2 3.46Å; D102-V106 PolarHBondContact O-N 3.18Å; D102-T202 WeakPolarHBondContact OD2-CA 3.42Å; D102-T202 VanDerWaalsContact OD2-CB 3.3Å; D102-T202 WeakPolarHBondContact OD2-CB 3.04Å; D102-Y238 PolarHBondContact OD1-OH 3.47Å; D102-Y238 VanDerWaalsContact OD1-OH 3.11Å
103	E	63.9	Low	50.2	Low	29 Å²	29	69.6 Å²	69.6	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-41.7	174.9	-71.2	178	-147.6	0	0	111.4	M99 D100 R105 V106 A107 D164 H166 K200	M99-E103 HydrophobicContact CE-CB 4.13Å; D100-E103 HydrophobicContact CB-CB 4.28Å; D100-E103 HydrophobicContact CB-CG 4.05Å; D100-E103 WeakPolarHBondContact O-CA 3.45Å; D100-E103 WeakPolarHBondContact O-CB 3.43Å; D100-E103 PolarHBondContact O-N 3.17Å; E103-R105 VanDerWaalsContact C-N 3.33Å; E103-R105 PolarHBondContact O-N 3.31Å; E103-V106 PolarHBondContact O-N 3.39Å; E103-A107 VanDerWaalsContact O-CB 3.29Å; E103-A107 WeakPolarHBondContact O-CB 3.46Å; E103-A107 PolarHBondContact O-N 2.81Å; E103-D164 HydrophobicContact CG-CB 4.09Å; E103-H166 IonicContact OE1-NE2 3.2Å; E103-K200 IonicContact OE1-NZ 2.94Å; E103-K200 PolarHBondContact OE1-NZ 3.39Å
104	L	64.4	Low	50.3	Low	75 Å²	75	69.7 Å²	69.7	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-62.8	-38.3	173	-72.6	165.6	0	0	0	111.9	M99 D100 D102 S108	M99-L104 HydrophobicContact CB-CD1 4.18Å; M99-L104 HydrophobicContact CB-CD2 3.89Å; M99-L104 HydrophobicContact CB-CG 3.67Å; M99-L104 HydrophobicContact CE-CD2 4.09Å; M99-L104 HydrophobicContact CE-CG 4.44Å; M99-L104 HydrophobicContact CG-CD2 4.45Å; M99-L104 WeakPolarHBondContact O-CD1 3.48Å; M99-L104 HydrophobicContact SD-CD2 3.83Å; D100-L104 PolarHBondContact O-N 3.37Å; D102-L104 VanDerWaalsContact C-N 3.34Å; D102-L104 PolarHBondContact O-N 3.17Å; L104-S108 VanDerWaalsContact O-CB 3.22Å; L104-S108 WeakPolarHBondContact O-CB 3.37Å; L104-S108 PolarHBondContact O-N 3.36Å; L104-S108 PolarHBondContact O-OG 3.43Å
105	R	64.3	Low	50.4	Low	76 Å²	76	64.3 Å²	64.3	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-42.9	175.8	-75.7	170.7	-162.8	131.4	5	112	A101 D102 E103 S108 R109 Y238	A101-R105 WeakPolarHBondContact O-CG 3.22Å; A101-R105 PolarHBondContact O-N 3.31Å; D102-R105 WeakPolarHBondContact O-CB 3.41Å; D102-R105 PolarHBondContact O-N 3.29Å; D102-R105 VanDerWaalsContact O-N 3.16Å; D102-R105 IonicContact OD1-CZ 3.31Å; D102-R105 IonicContact OD1-NH1 3.05Å; D102-R105 PolarHBondContact OD1-NH1 3.33Å; E103-R105 VanDerWaalsContact C-N 3.33Å; E103-R105 PolarHBondContact O-N 3.31Å; R105-S108 WeakPolarHBondContact CA-OG 3.49Å; R105-S108 PolarHBondContact O-OG 3.13Å; R105-R109 WeakPolarHBondContact O-CB 3.47Å; R105-R109 WeakPolarHBondContact O-CG 3.16Å; R105-R109 PolarHBondContact O-N 3.04Å; R105-R109 VanDerWaalsContact O-N 3.16Å; R105-Y238 HydrophobicContact CB-CD2 4.27Å; R105-Y238 HydrophobicContact CB-CE2 3.84Å
106	V	62.5	Low	50.7	Low	1 Å²	1	64.8 Å²	64.8	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-44.9	177	-177.8	0	0	0	0	110.2	D102 E103 A110 P163 I235 Y238	D102-V106 WeakPolarHBondContact O-CG2 3.46Å; D102-V106 PolarHBondContact O-N 3.18Å; E103-V106 PolarHBondContact O-N 3.39Å; V106-A110 PolarHBondContact O-N 3.17Å; V106-A110 VanDerWaalsContact O-N 3.15Å; V106-P163 WeakPolarHBondContact CG1-O 3.5Å; V106-I235 HydrophobicContact CG1-CD1 3.65Å; V106-I235 HydrophobicContact CG1-CG1 4.41Å; V106-I235 HydrophobicContact CG2-CD1 4.48Å; V106-Y238 HydrophobicContact CG2-CD1 3.79Å; V106-Y238 HydrophobicContact CG2-CD2 3.95Å; V106-Y238 HydrophobicContact CG2-CE1 4.04Å; V106-Y238 HydrophobicContact CG2-CE2 4.24Å; V106-Y238 HydrophobicContact CG2-CG 3.73Å
107	A	59.7	Low	51.1	Low	22 Å²	22	69 Å²	69	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-63.9	-45	179.3	0	0	0	0	0	112.7	M99 E103 R109 A110 V131	M99-A107 HydrophobicContact CE-CB 4.23Å; E103-A107 VanDerWaalsContact O-CB 3.29Å; E103-A107 WeakPolarHBondContact O-CB 3.46Å; E103-A107 PolarHBondContact O-N 2.81Å; A107-R109 PolarHBondContact O-N 3.23Å; A107-A110 WeakPolarHBondContact O-CB 3.47Å; A107-A110 PolarHBondContact O-N 3Å; A107-V131 HydrophobicContact CB-CG1 4.31Å
108	S	58.9	Low	51.5	Low	57 Å²	57	73.2 Å²	73.2	40%	0.399	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-40.6	179.6	57	0	0	0	0	112.4	L104 R105 A110 Q111	L104-S108 VanDerWaalsContact O-CB 3.22Å; L104-S108 WeakPolarHBondContact O-CB 3.37Å; L104-S108 PolarHBondContact O-N 3.36Å; L104-S108 PolarHBondContact O-OG 3.43Å; R105-S108 WeakPolarHBondContact CA-OG 3.49Å; R105-S108 PolarHBondContact O-OG 3.13Å; S108-A110 VanDerWaalsContact C-N 3.35Å; S108-A110 PolarHBondContact O-N 3.07Å; S108-Q111 WeakPolarHBondContact O-CB 3.21Å; S108-Q111 PolarHBondContact O-N 3.41Å
109	R	62.5	Low	51.3	Low	20 Å²	20	72.2 Å²	72.2	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-71.6	-29.1	178.6	-69.9	-177.4	-175.1	169.3	0.8	113.1	R105 A107 Q111 I112 T113 A237 Y238 S241 C242 E442	R105-R109 WeakPolarHBondContact O-CB 3.47Å; R105-R109 WeakPolarHBondContact O-CG 3.16Å; R105-R109 PolarHBondContact O-N 3.04Å; R105-R109 VanDerWaalsContact O-N 3.16Å; A107-R109 PolarHBondContact O-N 3.23Å; R109-Q111 PolarHBondContact O-N 3.24Å; R109-I112 PolarHBondContact O-N 3.04Å; R109-T113 PolarHBondContact O-OG1 3.45Å; R109-A237 HydrophobicContact CB-CB 4.39Å; R109-Y238 VanDerWaalsContact NH1-CD2 3.28Å; R109-Y238 PolarHBondContact NH1-O 3.48Å; R109-S241 VanDerWaalsContact CZ-CB 3.43Å; R109-S241 PolarHBondContact NE-OG 2.92Å; R109-S241 PolarHBondContact NH1-OG 2.94Å; R109-S241 VanDerWaalsContact NH1-OG 3.11Å; R109-S241 PolarHBondContact NH2-OG 2.88Å; R109-C242 PolarHBondContact NH1-SG 3.2Å; R109-E442 IonicContact CZ-OE1 3.95Å; R109-E442 IonicContact CZ-OE2 2.67Å; R109-E442 IonicContact NE-OE1 3.21Å; R109-E442 IonicContact NH2-OE1 3.94Å; R109-E442 PolarHBondContact NH2-OE1 2.83Å; R109-E442 IonicContact NH2-OE2 3.2Å; R109-E442 PolarHBondContact NH2-OE2 3.04Å
110	A	55.1	Low	50.8	Low	35 Å²	35	77.5 Å²	77.5	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-29.6	172.1	0	0	0	0	0	112.6	V106 A107 S108	V106-A110 PolarHBondContact O-N 3.17Å; V106-A110 VanDerWaalsContact O-N 3.15Å; A107-A110 WeakPolarHBondContact O-CB 3.47Å; A107-A110 PolarHBondContact O-N 3Å; S108-A110 VanDerWaalsContact C-N 3.35Å; S108-A110 PolarHBondContact O-N 3.07Å
111	Q	46.7	Very low	49.5	Very low	41 Å²	41	78.5 Å²	78.5	19%	0.192	41%	0.405	C	S	.	.	H	α-helix	trans	-74	-42	178.4	-65.4	-174.7	-25.7	0	0	112.2	S108 R109 T113 K114 T115 T129 T130	S108-Q111 WeakPolarHBondContact O-CB 3.21Å; S108-Q111 PolarHBondContact O-N 3.41Å; R109-Q111 PolarHBondContact O-N 3.24Å; Q111-T113 PolarHBondContact O-N 3.42Å; Q111-K114 PolarHBondContact O-N 3.14Å; Q111-T115 PolarHBondContact O-N 3.36Å; Q111-T115 PolarHBondContact O-OG1 3.28Å; Q111-T129 VanDerWaalsContact OE1-CG2 3.3Å; Q111-T130 PolarHBondContact NE2-O 3.38Å
112	I	47.2	Very low	48.2	Very low	107 Å²	107	81.1 Å²	81.1	55%	0.549	42%	0.421	S	S	.	.	H	α-helix	trans	-57.6	-36.1	-178.4	-59.9	175.3	0	0	0	111.2	R109 R116	R109-I112 PolarHBondContact O-N 3.04Å; I112-R116 PolarHBondContact O-N 2.94Å
113	T	40.1	Very low	46.6	Very low	42 Å²	42	87 Å²	87	26%	0.258	46%	0.457	S	S	.	.	H	α-helix	trans	-68.3	-39.1	178.2	-35.4	0	0	0	0	112	R109 Q111 Q117	R109-T113 PolarHBondContact O-OG1 3.45Å; Q111-T113 PolarHBondContact O-N 3.42Å; T113-Q117 PolarHBondContact O-N 3.33Å
114	K	39.3	Very low	45.1	Very low	143 Å²	143	92.7 Å²	92.7	62%	0.622	49%	0.488	S	S	*	.	H	α-helix	trans	-68.9	-41.9	176.9	-73	-174.4	177.6	179.8	0	112.3	Q111 R116 Q117 Q118	Q111-K114 PolarHBondContact O-N 3.14Å; K114-R116 VanDerWaalsContact C-N 3.28Å; K114-R116 PolarHBondContact O-N 3.26Å; K114-Q117 PolarHBondContact O-N 3.23Å; K114-Q118 PolarHBondContact O-N 2.92Å
115	T	38.1	Very low	43.4	Very low	78 Å²	78	98 Å²	98	48%	0.479	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-32.6	179.6	-23.8	0	0	0	0	111.9	Q111 Q118 H119	Q111-T115 PolarHBondContact O-N 3.36Å; Q111-T115 PolarHBondContact O-OG1 3.28Å; T115-Q118 PolarHBondContact O-N 2.83Å; T115-H119 PolarHBondContact O-N 3.01Å
116	R	37.9	Very low	41.9	Very low	186 Å²	186	101 Å²	101	70%	0.702	54%	0.537	S	S	*	.	H	α-helix	trans	-69.2	-27.5	174.6	-96	-176.7	168.2	-175.3	-3.4	114.1	I112 K114	I112-R116 PolarHBondContact O-N 2.94Å; K114-R116 VanDerWaalsContact C-N 3.28Å; K114-R116 PolarHBondContact O-N 3.26Å
117	Q	38.2	Very low	40.3	Very low	139 Å²	139	107 Å²	107	65%	0.65	57%	0.574	S	S	*	*	H	α-helix	trans	-82.9	-18.3	178.2	-70.6	-178.7	11.4	0	0	113.5	T113 K114	T113-Q117 PolarHBondContact O-N 3.33Å; K114-Q117 PolarHBondContact O-N 3.23Å
118	Q	38.5	Very low	38.8	Very low	162 Å²	162	112.1 Å²	112.1	76%	0.757	59%	0.594	S	S	*	*	H	α-helix	trans	-101	-17.7	179.6	-69.5	-176.1	-7	0	0	114.4	K114 T115 N120	K114-Q118 PolarHBondContact O-N 2.92Å; T115-Q118 PolarHBondContact O-N 2.83Å; Q118-N120 VanDerWaalsContact C-N 3.33Å; Q118-N120 PolarHBondContact O-N 3.49Å
119	H	34.6	Very low	37.3	Very low	116 Å²	116	115.2 Å²	115.2	54%	0.537	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	75	176.3	-99.7	-60.5	0	0	0	112.5	T115	T115-H119 PolarHBondContact O-N 3.01Å
120	N	34.7	Very low	35.7	Very low	168 Å²	168	120.1 Å²	120.1	90%	0.898	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	14.1	158.9	-112.5	-5.5	0	0	0	113.2	Q118	Q118-N120 VanDerWaalsContact C-N 3.33Å; Q118-N120 PolarHBondContact O-N 3.49Å
121	S	31.2	Very low	34.9	Very low	92 Å²	92	121.7 Å²	121.7	64%	0.643	65%	0.649	S	S	*	*	S	Bend	trans	-154.6	134.5	169.3	56.9	0	0	0	0	112.1
122	S	33.1	Very low	34.8	Very low	103 Å²	103	125 Å²	125	72%	0.72	67%	0.672	S	S	*	*			trans	64.1	126.3	169.6	66.9	0	0	0	0	119.1
123	V	28.7	Very low	35	Very low	135 Å²	135	123.9 Å²	123.9	82%	0.818	67%	0.673	S	S	*	*			trans	-66.5	125.3	172.9	175.1	0	0	0	0	109.7
124	N	31.2	Very low	36.1	Very low	149 Å²	149	123.2 Å²	123.2	80%	0.797	67%	0.669	S	S	*	*			trans	-158.9	145.7	153	-91.6	-31.1	0	0	0	111.3
125	K	29.8	Very low	37.5	Very low	187 Å²	187	119.8 Å²	119.8	81%	0.813	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-55.3	149.9	-167	-72.1	170.2	173.6	175.6	0	114.7	T127	K125-T127 PolarHBondContact O-N 3.21Å; K125-T127 PolarHBondContact O-OG1 2.85Å
126	P	31.5	Very low	39.4	Very low	137 Å²	137	123.1 Å²	123.1	89%	0.89	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-68.7	118.4	174.9	28.6	-30.5	0	0	0	109.7
127	T	29.7	Very low	41.5	Very low	129 Å²	129	117.4 Å²	117.4	79%	0.791	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-102.7	141.7	172.8	-33.7	0	0	0	0	107.5	K125	K125-T127 PolarHBondContact O-N 3.21Å; K125-T127 PolarHBondContact O-OG1 2.85Å
128	E	28.1	Very low	43.7	Very low	129 Å²	129	119.8 Å²	119.8	60%	0.603	66%	0.663	S	S	*	*			trans	-35.6	127.3	-171.7	-65.9	166.5	160.1	0	0	115.6	K64 T130	K64-E128 VanDerWaalsContact CE-OE2 3.28Å; K64-E128 WeakPolarHBondContact CE-OE2 3.28Å; K64-E128 IonicContact NZ-OE2 2.69Å; K64-E128 PolarHBondContact NZ-OE2 2.89Å; E128-T130 PolarHBondContact O-N 3.19Å
129	T	27.6	Very low	45.9	Very low	122 Å²	122	121 Å²	121	75%	0.748	67%	0.667	S	S	*	*			trans	-74	101.4	-176.4	-8.4	0	0	0	0	111.7	Q111	Q111-T129 VanDerWaalsContact OE1-CG2 3.3Å
130	T	27.6	Very low	48.1	Very low	123 Å²	123	117.4 Å²	117.4	76%	0.755	66%	0.661	S	S	*	*			trans	-76	122.3	166.1	-0.9	0	0	0	0	109.6	Q111 E128 V132	Q111-T130 PolarHBondContact NE2-O 3.38Å; E128-T130 PolarHBondContact O-N 3.19Å; T130-V132 PolarHBondContact O-N 3.15Å
131	V	38.9	Very low	50.3	Low	67 Å²	67	112 Å²	112	41%	0.406	64%	0.639	S	S	.	*			trans	-64.6	121.4	174.2	-179.8	0	0	0	0	108.2	M99 A107 C133	M99-V131 HydrophobicContact CE-CG1 4.48Å; M99-V131 HydrophobicContact SD-CG1 4.21Å; A107-V131 HydrophobicContact CB-CG1 4.31Å; V131-C133 VanDerWaalsContact C-N 3.31Å; V131-C133 PolarHBondContact O-N 3.36Å
132	V	44.1	Very low	52.7	Low	112 Å²	112	111.7 Å²	111.7	68%	0.679	63%	0.626	S	S	*	*			trans	-74.8	90.9	173.3	-179.8	0	0	0	0	107.1	T130	T130-V132 PolarHBondContact O-N 3.15Å
133	C	52.1	Low	55	Low	83 Å²	83	108.5 Å²	108.5	56%	0.561	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-58.1	140.8	166.9	-74.9	0	0	0	0	109.1	V131	V131-C133 VanDerWaalsContact C-N 3.31Å; V131-C133 PolarHBondContact O-N 3.36Å
134	T	63.9	Low	57.4	Low	28 Å²	28	104.7 Å²	104.7	17%	0.172	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-52.3	127.8	167.5	28.2	0	0	0	0	108.2	K136 I147 P163	T134-K136 PolarHBondContact O-N 3.5Å; T134-I147 HydrophobicContact CG2-CD1 4.09Å; T134-P163 HydrophobicContact CG2-CG 3.79Å
135	P	67.6	Low	59.6	Low	71 Å²	71	106.8 Å²	106.8	46%	0.461	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-57.9	127.4	-177.8	21.6	-29.7	0	0	0	108.5	D143	P135-D143 PolarHBondContact O-N 2.88Å
136	K	78	Confident	61.9	Low	148 Å²	148	104.5 Å²	104.5	64%	0.643	57%	0.568	S	S	*	*	B	Isolated β-bridge	trans	-86.3	142.6	172.5	-66.4	-176.1	178.5	-174.7	0	108.5	T134 A141	T134-K136 PolarHBondContact O-N 3.5Å; K136-A141 CarbonylContact C-O 3.59Å; K136-A141 VanDerWaalsContact CA-O 3.26Å; K136-A141 WeakPolarHBondContact CA-O 3.38Å
137	D	82.6	Confident	64	Low	66 Å²	66	101.6 Å²	101.6	35%	0.353	54%	0.544	S	S	.	.			trans	-75	-179.2	168.8	70.2	10.5	0	0	0	111.3	F139 G140 A141	D137-F139 PolarHBondContact O-N 2.95Å; D137-F139 VanDerWaalsContact O-N 3.12Å; D137-F139 WeakPolarHBondContact OD1-CA 3.45Å; D137-F139 PolarHBondContact OD1-N 3.41Å; D137-G140 PolarHBondContact O-N 3.11Å; D137-G140 PolarHBondContact OD1-N 3.08Å; D137-A141 PolarHBondContact N-O 3.16Å; D137-A141 PolarHBondContact OD1-N 2.85Å; D137-A141 WeakPolarHBondContact OD2-CB 3.17Å
138	E	84.8	Confident	66.5	Low	189 Å²	189	96.4 Å²	96.4	88%	0.883	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.4	-178.9	-63.4	173.9	-176.7	0	0	113.5
139	F	84.2	Confident	69.2	Low	188 Å²	188	97.2 Å²	97.2	83%	0.825	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	4	178.9	-52.9	-76.5	0	0	0	112.8	D137	D137-F139 PolarHBondContact O-N 2.95Å; D137-F139 VanDerWaalsContact O-N 3.12Å; D137-F139 WeakPolarHBondContact OD1-CA 3.45Å; D137-F139 PolarHBondContact OD1-N 3.41Å
140	G	80.3	Confident	72	Confident	40 Å²	40	95.8 Å²	95.8	41%	0.412	50%	0.501	S	S	.	.	S	Bend	trans	88.9	1.9	178.6	0	0	0	0	0	115.6	D137	D137-G140 PolarHBondContact O-N 3.11Å; D137-G140 PolarHBondContact OD1-N 3.08Å
141	A	82.1	Confident	74.9	Confident	53 Å²	53	93.4 Å²	93.4	44%	0.438	48%	0.478	S	S	.	.			trans	-78.6	140.5	178.3	0	0	0	0	0	111.6	K136 D137 D143	K136-A141 CarbonylContact C-O 3.59Å; K136-A141 VanDerWaalsContact CA-O 3.26Å; K136-A141 WeakPolarHBondContact CA-O 3.38Å; D137-A141 PolarHBondContact N-O 3.16Å; D137-A141 PolarHBondContact OD1-N 2.85Å; D137-A141 WeakPolarHBondContact OD2-CB 3.17Å; A141-D143 PolarHBondContact O-N 3.34Å
142	K	81	Confident	77.2	Confident	86 Å²	86	98.8 Å²	98.8	37%	0.374	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-70.4	110.9	179.7	-67	172.3	171.7	174.9	0	110.3	M144 D164	K142-M144 PolarHBondContact O-N 3.4Å; K142-D164 IonicContact NZ-OD2 3.86Å; K142-D164 PolarHBondContact NZ-OD2 3.26Å
143	D	80.4	Confident	79.3	Confident	36 Å²	36	96.3 Å²	96.3	19%	0.193	49%	0.486	C	S	.	.			trans	-81.5	107.4	174.2	-168.9	-6.3	0	0	0	111.1	P135 A141 R145	P135-D143 PolarHBondContact O-N 2.88Å; A141-D143 PolarHBondContact O-N 3.34Å; D143-R145 VanDerWaalsContact OD1-CB 3.31Å; D143-R145 WeakPolarHBondContact OD1-CB 3.31Å; D143-R145 VanDerWaalsContact OD1-CG 3.25Å; D143-R145 WeakPolarHBondContact OD1-CG 3.2Å; D143-R145 IonicContact OD1-CZ 3.8Å; D143-R145 PolarHBondContact OD1-N 3.5Å; D143-R145 IonicContact OD1-NE 2.9Å; D143-R145 PolarHBondContact OD1-NE 3.48Å; D143-R145 IonicContact OD1-NH2 3.83Å; D143-R145 IonicContact OD2-CZ 3.31Å; D143-R145 VanDerWaalsContact OD2-CZ 3.31Å; D143-R145 IonicContact OD2-NE 3.12Å; D143-R145 PolarHBondContact OD2-NE 2.89Å; D143-R145 VanDerWaalsContact OD2-NE 3.12Å; D143-R145 IonicContact OD2-NH2 2.7Å; D143-R145 PolarHBondContact OD2-NH2 3.19Å
144	M	79.8	Confident	81	Confident	56 Å²	56	95.6 Å²	95.6	28%	0.276	47%	0.474	S	S	.	.			trans	-101.8	3.1	-178.3	-61.6	-176.1	-74.7	0	0	113.6	K142 N146 I147 L148 P163	K142-M144 PolarHBondContact O-N 3.4Å; M144-N146 VanDerWaalsContact C-N 3.28Å; M144-N146 PolarHBondContact O-N 3.09Å; M144-I147 PolarHBondContact O-N 3.31Å; M144-L148 HydrophobicContact CB-CD1 3.84Å; M144-L148 HydrophobicContact CB-CG 4.17Å; M144-L148 PolarHBondContact O-N 3.45Å; M144-L148 HydrophobicContact SD-CD1 4.08Å; M144-P163 HydrophobicContact SD-CG 4.44Å
145	R	78.3	Confident	82.1	Confident	192 Å²	192	98.4 Å²	98.4	73%	0.725	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-37	-172.9	-69.6	176.9	-75.5	-172.1	-4	113.1	D143 I147	D143-R145 VanDerWaalsContact OD1-CB 3.31Å; D143-R145 WeakPolarHBondContact OD1-CB 3.31Å; D143-R145 VanDerWaalsContact OD1-CG 3.25Å; D143-R145 WeakPolarHBondContact OD1-CG 3.2Å; D143-R145 IonicContact OD1-CZ 3.8Å; D143-R145 PolarHBondContact OD1-N 3.5Å; D143-R145 IonicContact OD1-NE 2.9Å; D143-R145 PolarHBondContact OD1-NE 3.48Å; D143-R145 IonicContact OD1-NH2 3.83Å; D143-R145 IonicContact OD2-CZ 3.31Å; D143-R145 VanDerWaalsContact OD2-CZ 3.31Å; D143-R145 IonicContact OD2-NE 3.12Å; D143-R145 PolarHBondContact OD2-NE 2.89Å; D143-R145 VanDerWaalsContact OD2-NE 3.12Å; D143-R145 IonicContact OD2-NH2 2.7Å; D143-R145 PolarHBondContact OD2-NH2 3.19Å; R145-I147 VanDerWaalsContact C-N 3.32Å; R145-I147 PolarHBondContact O-N 3.32Å
146	N	76.6	Confident	83.2	Confident	139 Å²	139	98.2 Å²	98.2	74%	0.743	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.3	-179.5	-66.8	-24.5	0	0	0	113.4	M144	M144-N146 VanDerWaalsContact C-N 3.28Å; M144-N146 PolarHBondContact O-N 3.09Å
147	I	77.2	Confident	83.8	Confident	76 Å²	76	92.3 Å²	92.3	39%	0.39	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-43.9	-175.9	-57.1	172.1	0	0	0	109.9	T134 M144 R145 K149 P163	T134-I147 HydrophobicContact CG2-CD1 4.09Å; M144-I147 PolarHBondContact O-N 3.31Å; R145-I147 VanDerWaalsContact C-N 3.32Å; R145-I147 PolarHBondContact O-N 3.32Å; I147-K149 PolarHBondContact O-N 3.04Å; I147-P163 HydrophobicContact CD1-CG 4.42Å
148	L	82.1	Confident	84.4	Confident	21 Å²	21	89.2 Å²	89.2	11%	0.11	45%	0.451	C	S	.	.			trans	-96.3	86.5	-172.6	-62.2	-178.3	0	0	0	111.4	M144 L150 I161 T229 P232	M144-L148 HydrophobicContact CB-CD1 3.84Å; M144-L148 HydrophobicContact CB-CG 4.17Å; M144-L148 PolarHBondContact O-N 3.45Å; M144-L148 HydrophobicContact SD-CD1 4.08Å; L148-L150 PolarHBondContact O-N 3.48Å; L148-I161 VanDerWaalsContact CD2-O 3.3Å; L148-I161 WeakPolarHBondContact CD2-O 3.25Å; L148-T229 HydrophobicContact CB-CG2 4.01Å; L148-P232 HydrophobicContact CD2-CG 3.77Å
149	K	84	Confident	84.9	Confident	146 Å²	146	80.2 Å²	80.2	64%	0.635	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-72.2	120.1	173.4	-64.8	-177.1	-179.5	179.3	0	110.6	I147 T229 N230	I147-K149 PolarHBondContact O-N 3.04Å; K149-T229 VanDerWaalsContact O-CA 3.3Å; K149-T229 WeakPolarHBondContact O-CA 3.41Å; K149-N230 PolarHBondContact O-N 3.17Å
150	L	87.3	Confident	85.3	Confident	92 Å²	92	75.6 Å²	75.6	48%	0.482	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-69.7	137.7	178	-166.5	67.7	0	0	0	111	L148 H154 W160 K228 T229	L148-L150 PolarHBondContact O-N 3.48Å; L150-H154 HydrophobicContact CD1-CB 3.59Å; L150-H154 HydrophobicContact CD2-CB 4.4Å; L150-H154 HydrophobicContact CG-CB 3.89Å; L150-W160 HydrophobicContact CD1-CH2 4.1Å; L150-W160 HydrophobicContact CD1-CZ2 4.49Å; L150-K228 HydrophobicContact CD1-CB 4.29Å; L150-T229 HydrophobicContact CD1-CG2 4.26Å
151	R	87.9	Confident	85.9	Confident	73 Å²	73	73.8 Å²	73.8	28%	0.275	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-85.3	154	175.3	-61.3	173.7	61.3	141.2	8.3	110.9	D153 H154 R157 R224 K228	R151-D153 VanDerWaalsContact CB-OD1 3.3Å; R151-D153 WeakPolarHBondContact CB-OD1 3.3Å; R151-D153 IonicContact NE-OD1 3.24Å; R151-D153 PolarHBondContact NE-OD1 3.05Å; R151-D153 IonicContact NH2-OD2 3.99Å; R151-D153 PolarHBondContact O-N 3.12Å; R151-H154 VanDerWaalsContact O-CB 3.31Å; R151-H154 WeakPolarHBondContact O-CB 3.43Å; R151-H154 PolarHBondContact O-CD2 3.47Å; R151-H154 PolarHBondContact O-N 3.02Å; R151-R157 VanDerWaalsContact CZ-CZ 3.47Å; R151-R224 PolarHBondContact NH1-O 2.7Å; R151-K228 WeakPolarHBondContact CB-O 3.46Å; R151-K228 WeakPolarHBondContact CG-O 3.41Å; R151-K228 PolarHBondContact N-O 3.11Å
152	L	86.1	Confident	86.1	Confident	180 Å²	180	71.4 Å²	71.4	94%	0.942	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.5	178.3	-65.9	172.6	0	0	0	112.9	H154	L152-H154 VanDerWaalsContact C-N 3.31Å; L152-H154 PolarHBondContact O-N 2.93Å
153	D	88.7	Confident	86.3	Confident	60 Å²	60	68.7 Å²	68.7	32%	0.321	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	24.2	179.3	62	-22.1	0	0	0	112.8	R151 P155 S156 R157	R151-D153 VanDerWaalsContact CB-OD1 3.3Å; R151-D153 WeakPolarHBondContact CB-OD1 3.3Å; R151-D153 IonicContact NE-OD1 3.24Å; R151-D153 PolarHBondContact NE-OD1 3.05Å; R151-D153 IonicContact NH2-OD2 3.99Å; R151-D153 PolarHBondContact O-N 3.12Å; D153-P155 VanDerWaalsContact C-N 3.33Å; D153-S156 PolarHBondContact O-N 3.24Å; D153-S156 PolarHBondContact O-OG 2.9Å; D153-R157 WeakPolarHBondContact O-CD 3.41Å; D153-R157 IonicContact OD1-CZ 3.85Å; D153-R157 IonicContact OD1-NE 3.03Å; D153-R157 PolarHBondContact OD1-NE 3.29Å; D153-R157 IonicContact OD1-NH2 3.99Å; D153-R157 IonicContact OD2-CZ 3.13Å; D153-R157 IonicContact OD2-NE 2.77Å; D153-R157 PolarHBondContact OD2-NE 3.27Å; D153-R157 IonicContact OD2-NH2 2.7Å; D153-R157 PolarHBondContact OD2-NH2 3.04Å
154	H	87.3	Confident	86.4	Confident	67 Å²	67	68.2 Å²	68.2	31%	0.31	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-56.3	-29.6	179.2	72.7	91.3	0	0	0	115.8	L150 R151 L152 S156 R157 K228	L150-H154 HydrophobicContact CD1-CB 3.59Å; L150-H154 HydrophobicContact CD2-CB 4.4Å; L150-H154 HydrophobicContact CG-CB 3.89Å; R151-H154 VanDerWaalsContact O-CB 3.31Å; R151-H154 WeakPolarHBondContact O-CB 3.43Å; R151-H154 PolarHBondContact O-CD2 3.47Å; R151-H154 PolarHBondContact O-N 3.02Å; L152-H154 VanDerWaalsContact C-N 3.31Å; L152-H154 PolarHBondContact O-N 2.93Å; H154-S156 VanDerWaalsContact C-N 3.3Å; H154-S156 PolarHBondContact O-N 3.37Å; H154-R157 PolarHBondContact O-N 3.06Å; H154-K228 HydrophobicContact CB-CB 4.07Å; H154-K228 HydrophobicContact CB-CD 4.3Å; H154-K228 HydrophobicContact CB-CG 4.22Å; H154-K228 WeakPolarHBondContact O-CD 3.49Å; H154-K228 WeakPolarHBondContact O-CE 3.37Å; H154-K228 WeakPolarHBondContact O-CG 3.1Å
155	P	88.5	Confident	86.8	Confident	87 Å²	87	65.6 Å²	65.6	57%	0.565	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-68.6	-26.5	-178.6	-21.6	35.3	0	0	0	114	D153 R157	D153-P155 VanDerWaalsContact C-N 3.33Å; P155-R157 VanDerWaalsContact C-N 3.32Å
156	S	89.1	Confident	87.4	Confident	68 Å²	68	57.8 Å²	57.8	48%	0.476	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-87.7	-1.9	-178.5	60.3	0	0	0	0	113.5	D153 H154	D153-S156 PolarHBondContact O-N 3.24Å; D153-S156 PolarHBondContact O-OG 2.9Å; H154-S156 VanDerWaalsContact C-N 3.3Å; H154-S156 PolarHBondContact O-N 3.37Å
157	R	92.1	Very high	88.2	Confident	24 Å²	24	51.2 Å²	51.2	9%	0.091	26%	0.26	C	S	.	.			trans	-112.3	132.8	-171.3	-71.3	166.1	174	-67.3	-22.9	109.8	R151 D153 H154 P155 R224 R225 L226 C227 K228	R151-R157 VanDerWaalsContact CZ-CZ 3.47Å; D153-R157 WeakPolarHBondContact O-CD 3.41Å; D153-R157 IonicContact OD1-CZ 3.85Å; D153-R157 IonicContact OD1-NE 3.03Å; D153-R157 PolarHBondContact OD1-NE 3.29Å; D153-R157 IonicContact OD1-NH2 3.99Å; D153-R157 IonicContact OD2-CZ 3.13Å; D153-R157 IonicContact OD2-NE 2.77Å; D153-R157 PolarHBondContact OD2-NE 3.27Å; D153-R157 IonicContact OD2-NH2 2.7Å; D153-R157 PolarHBondContact OD2-NH2 3.04Å; H154-R157 PolarHBondContact O-N 3.06Å; P155-R157 VanDerWaalsContact C-N 3.32Å; R157-R224 PolarHBondContact NH1-O 3.08Å; R157-R225 PolarHBondContact NH1-O 3.38Å; R157-L226 WeakPolarHBondContact CB-O 3.44Å; R157-C227 VanDerWaalsContact CD-O 3.29Å; R157-C227 WeakPolarHBondContact CD-O 3.05Å; R157-C227 PolarHBondContact NH1-O 3.41Å; R157-K228 HydrophobicContact CB-CG 3.8Å; R157-K228 WeakPolarHBondContact O-CE 3.31Å; R157-K228 VanDerWaalsContact O-CG 3.24Å; R157-K228 WeakPolarHBondContact O-CG 3.46Å
158	P	94.3	Very high	89	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.			trans	-92.6	-8.9	-171.1	33.9	-36.7	0	0	0	115.4	L169 E170 N173 L175 A179 L226	P158-L169 HydrophobicContact CB-CD1 3.86Å; P158-L169 HydrophobicContact CG-CD1 4.34Å; P158-E170 PolarHBondContact O-N 3.41Å; P158-N173 HydrophobicContact CB-CB 3.78Å; P158-L175 HydrophobicContact CG-CB 4.23Å; P158-A179 HydrophobicContact CG-CB 3.81Å; P158-L226 WeakPolarHBondContact CD-O 3.49Å; P158-L226 HydrophobicContact CG-CD2 4.14Å
159	L	94.9	Very high	89.6	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144	-168	-56.1	-176.8	0	0	0	115	I167 F168 L169 A179 L183 L223 L226 K228	L159-I167 HydrophobicContact CD1-CG2 4.49Å; L159-I167 HydrophobicContact CD2-CG2 4.16Å; L159-F168 CarbonylContact C-O 3.5Å; L159-F168 WeakPolarHBondContact CA-O 3.33Å; L159-L169 HydrophobicContact CD2-CB 3.81Å; L159-L169 HydrophobicContact CD2-CD1 3.49Å; L159-L169 VanDerWaalsContact CD2-CD1 3.49Å; L159-L169 HydrophobicContact CD2-CG 4.25Å; L159-A179 HydrophobicContact CD2-CB 4.31Å; L159-L183 HydrophobicContact CD2-CD1 3.7Å; L159-L223 HydrophobicContact CD1-CD2 4.42Å; L159-L226 WeakPolarHBondContact CB-O 3.37Å; L159-L226 HydrophobicContact CD1-CB 3.53Å; L159-L226 HydrophobicContact CD1-CD1 4.17Å; L159-L226 HydrophobicContact CG-CB 3.89Å; L159-L226 PolarHBondContact N-O 2.96Å; L159-L226 VanDerWaalsContact N-O 3.11Å; L159-K228 WeakPolarHBondContact O-CB 3.1Å; L159-K228 WeakPolarHBondContact O-CG 3.43Å; L159-K228 PolarHBondContact O-N 3.49Å
160	W	93.6	Very high	90.2	Very high	92 Å²	92	44.2 Å²	44.2	35%	0.348	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.8	160.7	-67.1	78.8	0	0	0	109.5	L150 I167 F168 E170 K228 T229	L150-W160 HydrophobicContact CD1-CH2 4.1Å; L150-W160 HydrophobicContact CD1-CZ2 4.49Å; W160-I167 CarbonylContact O-C 3.55Å; W160-I167 VanDerWaalsContact O-CA 3.27Å; W160-I167 WeakPolarHBondContact O-CA 3.47Å; W160-F168 HydrophobicContact CB-CB 4.21Å; W160-F168 HydrophobicContact CB-CD2 4.31Å; W160-F168 PolarHBondContact N-O 3.2Å; W160-F168 PolarHBondContact O-N 3Å; W160-E170 PolarHBondContact NE1-OE1 3.49Å; W160-K228 HydrophobicContact CZ2-CD 4.16Å; W160-T229 HydrophobicContact CE3-CG2 3.97Å; W160-T229 HydrophobicContact CZ3-CG2 3.92Å
161	I	92.2	Very high	90.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.7	-178.8	-57.4	172.5	0	0	0	108.8	L148 H166 I167 L223 C227 L231 I235	L148-I161 VanDerWaalsContact CD2-O 3.3Å; L148-I161 WeakPolarHBondContact CD2-O 3.25Å; I161-H166 WeakPolarHBondContact CA-O 3.3Å; I161-I167 HydrophobicContact CG1-CG1 4.16Å; I161-I167 HydrophobicContact CG1-CG2 4.17Å; I161-I167 HydrophobicContact CG2-CG1 4.38Å; I161-L223 HydrophobicContact CD1-CB 4.41Å; I161-L223 HydrophobicContact CD1-CD2 3.83Å; I161-C227 HydrophobicContact CD1-CB 4.06Å; I161-L231 HydrophobicContact CB-CD1 4.45Å; I161-L231 HydrophobicContact CD1-CD1 3.54Å; I161-L231 HydrophobicContact CG2-CD1 4.19Å; I161-I235 HydrophobicContact CG2-CG1 4.22Å
162	G	87.4	Confident	90.5	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	23%	0.228	C	C	.	.			trans	-77.7	154.1	173.9	0	0	0	0	0	112.2	D164 G165 H166	G162-D164 PolarHBondContact O-N 3.43Å; G162-G165 PolarHBondContact O-N 2.98Å; G162-G165 VanDerWaalsContact O-N 3.15Å; G162-H166 PolarHBondContact N-O 3.18Å
163	P	85	Confident	90.8	Very high	29 Å²	29	36.5 Å²	36.5	19%	0.188	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.4	175	30.9	-35.3	0	0	0	113.1	V106 T134 M144 I147	V106-P163 WeakPolarHBondContact CG1-O 3.5Å; T134-P163 HydrophobicContact CG2-CG 3.79Å; M144-P163 HydrophobicContact SD-CG 4.44Å; I147-P163 HydrophobicContact CD1-CG 4.42Å
164	D	82.7	Confident	90.9	Very high	26 Å²	26	39.7 Å²	39.7	14%	0.139	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.4	174.1	51.3	5.3	0	0	0	113.2	E103 K142 G162 H166	E103-D164 HydrophobicContact CG-CB 4.09Å; K142-D164 IonicContact NZ-OD2 3.86Å; K142-D164 PolarHBondContact NZ-OD2 3.26Å; G162-D164 PolarHBondContact O-N 3.43Å; D164-H166 IonicContact OD1-CD2 2.8Å; D164-H166 PolarHBondContact OD1-N 2.86Å
165	G	86.6	Confident	91.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	91.6	1.2	177.8	0	0	0	0	0	114.8	G162 L201	G162-G165 PolarHBondContact O-N 2.98Å; G162-G165 VanDerWaalsContact O-N 3.15Å; G165-L201 PolarHBondContact O-N 3.46Å
166	H	90.9	Very high	91.2	Very high	29 Å²	29	35.6 Å²	35.6	13%	0.134	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.9	170.5	-76.5	-102.4	0	0	0	111	E103 I161 G162 D164 F168 E198 Y199	E103-H166 IonicContact OE1-NE2 3.2Å; I161-H166 WeakPolarHBondContact CA-O 3.3Å; G162-H166 PolarHBondContact N-O 3.18Å; D164-H166 IonicContact OD1-CD2 2.8Å; D164-H166 PolarHBondContact OD1-N 2.86Å; H166-F168 HydrophobicContact CB-CE2 4.36Å; H166-F168 HydrophobicContact CB-CZ 4.4Å; H166-E198 IonicContact CE1-OE1 3.17Å; H166-E198 PolarHBondContact CE1-OE1 2.92Å; H166-E198 IonicContact CG-OE1 3.73Å; H166-E198 IonicContact ND1-OE1 2.82Å; H166-E198 PolarHBondContact ND1-OE1 2.93Å; H166-Y199 CarbonylContact C-O 3.53Å; H166-Y199 WeakPolarHBondContact CA-O 3.34Å
167	I	94.2	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.3	179.7	-53	-179.6	0	0	0	108.9	L159 W160 I161 L183 E198 Y199 L201	L159-I167 HydrophobicContact CD1-CG2 4.49Å; L159-I167 HydrophobicContact CD2-CG2 4.16Å; W160-I167 CarbonylContact O-C 3.55Å; W160-I167 VanDerWaalsContact O-CA 3.27Å; W160-I167 WeakPolarHBondContact O-CA 3.47Å; I161-I167 HydrophobicContact CG1-CG1 4.16Å; I161-I167 HydrophobicContact CG1-CG2 4.17Å; I161-I167 HydrophobicContact CG2-CG1 4.38Å; I167-L183 HydrophobicContact CD1-CD2 3.66Å; I167-L183 HydrophobicContact CG2-CD1 4.09Å; I167-L183 HydrophobicContact CG2-CD2 3.98Å; I167-E198 CarbonylContact O-C 3.55Å; I167-E198 WeakPolarHBondContact O-CA 3.26Å; I167-Y199 PolarHBondContact N-O 3.24Å; I167-Y199 PolarHBondContact O-N 2.85Å; I167-L201 HydrophobicContact CD1-CD1 3.97Å; I167-L201 HydrophobicContact CD1-CD2 3.95Å; I167-L201 HydrophobicContact CD1-CG 3.69Å; I167-L201 HydrophobicContact CG1-CG 4.33Å
168	F	94.9	Very high	91	Very high	73 Å²	73	43.7 Å²	43.7	32%	0.32	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.4	172.9	-54	-81.5	0	0	0	110.1	L159 W160 H166 I196 H197 E198	L159-F168 CarbonylContact C-O 3.5Å; L159-F168 WeakPolarHBondContact CA-O 3.33Å; W160-F168 HydrophobicContact CB-CB 4.21Å; W160-F168 HydrophobicContact CB-CD2 4.31Å; W160-F168 PolarHBondContact N-O 3.2Å; W160-F168 PolarHBondContact O-N 3Å; H166-F168 HydrophobicContact CB-CE2 4.36Å; H166-F168 HydrophobicContact CB-CZ 4.4Å; F168-I196 HydrophobicContact CB-CG2 4.13Å; F168-I196 HydrophobicContact CD1-CG2 4.45Å; F168-H197 CarbonylContact C-O 3.6Å; F168-H197 WeakPolarHBondContact CA-O 3.36Å; F168-E198 HydrophobicContact CD1-CB 4.16Å; F168-E198 HydrophobicContact CD1-CG 3.99Å; F168-E198 HydrophobicContact CE1-CB 4.2Å; F168-E198 HydrophobicContact CE1-CG 3.65Å; F168-E198 HydrophobicContact CZ-CG 4.42Å
169	L	95	Very high	90.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.7	179.4	166.4	68.6	0	0	0	110.1	P158 L159 T171 A179 Q180 L183 I196 H197 Y199	P158-L169 HydrophobicContact CB-CD1 3.86Å; P158-L169 HydrophobicContact CG-CD1 4.34Å; L159-L169 HydrophobicContact CD2-CB 3.81Å; L159-L169 HydrophobicContact CD2-CD1 3.49Å; L159-L169 VanDerWaalsContact CD2-CD1 3.49Å; L159-L169 HydrophobicContact CD2-CG 4.25Å; L169-T171 PolarHBondContact O-N 3.3Å; L169-A179 HydrophobicContact CD1-CB 3.67Å; L169-Q180 HydrophobicContact CD2-CB 3.87Å; L169-L183 HydrophobicContact CB-CD1 4Å; L169-L183 HydrophobicContact CD2-CD1 4.21Å; L169-I196 CarbonylContact O-C 3.59Å; L169-I196 VanDerWaalsContact O-CA 3.31Å; L169-I196 WeakPolarHBondContact O-CA 3.4Å; L169-H197 HydrophobicContact CB-CB 4.24Å; L169-H197 HydrophobicContact CD2-CB 4.47Å; L169-H197 PolarHBondContact N-O 3.16Å; L169-H197 PolarHBondContact O-N 2.97Å; L169-Y199 HydrophobicContact CB-CD2 4.5Å; L169-Y199 HydrophobicContact CB-CE2 4.24Å; L169-Y199 HydrophobicContact CD2-CE2 4.05Å
170	E	94.7	Very high	90.6	Very high	24 Å²	24	45.3 Å²	45.3	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	110.1	172.5	-67.9	175	-171.3	0	0	110.8	P158 W160 F172 N173 A176 K228	P158-E170 PolarHBondContact O-N 3.41Å; W160-E170 PolarHBondContact NE1-OE1 3.49Å; E170-F172 VanDerWaalsContact C-N 3.29Å; E170-F172 HydrophobicContact CB-CD1 4.4Å; E170-F172 HydrophobicContact CB-CD2 4.45Å; E170-F172 HydrophobicContact CB-CE1 3.85Å; E170-F172 HydrophobicContact CB-CE2 3.9Å; E170-F172 HydrophobicContact CB-CZ 3.58Å; E170-F172 HydrophobicContact CG-CE1 4.02Å; E170-F172 HydrophobicContact CG-CE2 4.19Å; E170-F172 HydrophobicContact CG-CZ 3.55Å; E170-F172 PolarHBondContact O-N 2.77Å; E170-F172 WeakPolarHBondContact OE2-CE2 3.3Å; E170-N173 PolarHBondContact O-N 3.03Å; E170-A176 WeakPolarHBondContact O-CB 3.42Å; E170-K228 WeakPolarHBondContact OE1-CE 3.4Å; E170-K228 IonicContact OE1-NZ 3.43Å; E170-K228 PolarHBondContact OE1-NZ 3.19Å; E170-K228 VanDerWaalsContact OE2-CE 3.28Å; E170-K228 WeakPolarHBondContact OE2-CE 3.45Å; E170-K228 IonicContact OE2-NZ 2.7Å; E170-K228 PolarHBondContact OE2-NZ 3.05Å
171	T	90.7	Very high	90.2	Very high	37 Å²	37	44.4 Å²	44.4	23%	0.227	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-19.4	-174.4	63.7	0	0	0	0	113.7	L169 N173 A176 L194 H195 H197	L169-T171 PolarHBondContact O-N 3.3Å; T171-N173 VanDerWaalsContact C-N 3.29Å; T171-A176 WeakPolarHBondContact O-CB 3.31Å; T171-L194 PolarHBondContact OG1-O 2.87Å; T171-H195 PolarHBondContact N-O 2.7Å; T171-H195 VanDerWaalsContact OG1-C 3.27Å; T171-H195 VanDerWaalsContact OG1-CA 3.28Å; T171-H195 WeakPolarHBondContact OG1-CA 3.21Å; T171-H195 PolarHBondContact OG1-O 3.05Å; T171-H197 VanDerWaalsContact CG2-CD2 3.41Å; T171-H197 WeakPolarHBondContact CG2-CD2 3.22Å; T171-H197 VanDerWaalsContact CG2-NE2 3.33Å; T171-H197 WeakPolarHBondContact CG2-NE2 3.33Å
172	F	91.9	Very high	90.1	Very high	131 Å²	131	45.8 Å²	45.8	58%	0.575	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.5	178.8	52	-97.3	0	0	0	113.5	E170 H195 I196	E170-F172 VanDerWaalsContact C-N 3.29Å; E170-F172 HydrophobicContact CB-CD1 4.4Å; E170-F172 HydrophobicContact CB-CD2 4.45Å; E170-F172 HydrophobicContact CB-CE1 3.85Å; E170-F172 HydrophobicContact CB-CE2 3.9Å; E170-F172 HydrophobicContact CB-CZ 3.58Å; E170-F172 HydrophobicContact CG-CE1 4.02Å; E170-F172 HydrophobicContact CG-CE2 4.19Å; E170-F172 HydrophobicContact CG-CZ 3.55Å; E170-F172 PolarHBondContact O-N 2.77Å; E170-F172 WeakPolarHBondContact OE2-CE2 3.3Å; F172-H195 HydrophobicContact CD1-CB 4.48Å; F172-I196 HydrophobicContact CE1-CG1 4.38Å
173	N	91.9	Very high	90.3	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.08	23%	0.225	C	C	.	.	S	Bend	trans	-78	142	176.4	-172	-65.6	0	0	0	110.9	P158 E170 T171 L175 A176	P158-N173 HydrophobicContact CB-CB 3.78Å; E170-N173 PolarHBondContact O-N 3.03Å; T171-N173 VanDerWaalsContact C-N 3.29Å; N173-L175 PolarHBondContact O-N 3.46Å; N173-L175 VanDerWaalsContact O-N 3.15Å; N173-L175 PolarHBondContact OD1-N 3.31Å; N173-A176 WeakPolarHBondContact O-CB 3.4Å; N173-A176 PolarHBondContact O-N 2.78Å
174	P	91.8	Very high	90.2	Very high	126 Å²	126	45.9 Å²	45.9	82%	0.818	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.2	177.4	-27.1	35.1	0	0	0	114.9	A176	P174-A176 VanDerWaalsContact C-N 3.29Å
175	L	91.7	Very high	90.3	Very high	61 Å²	61	45.7 Å²	45.7	32%	0.319	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.6	178.2	-62	179.8	0	0	0	113.4	P158 N173 R177 Q178 A179 L226	P158-L175 HydrophobicContact CG-CB 4.23Å; N173-L175 PolarHBondContact O-N 3.46Å; N173-L175 VanDerWaalsContact O-N 3.15Å; N173-L175 PolarHBondContact OD1-N 3.31Å; L175-R177 VanDerWaalsContact C-N 3.31Å; L175-R177 PolarHBondContact O-N 3.41Å; L175-Q178 PolarHBondContact O-N 3.48Å; L175-A179 WeakPolarHBondContact O-CB 3.34Å; L175-A179 PolarHBondContact O-N 3.04Å; L175-L226 HydrophobicContact CD1-CD2 4.43Å
176	A	90.5	Very high	90.4	Very high	8 Å²	8	45.7 Å²	45.7	7%	0.066	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-38.8	-173.8	0	0	0	0	0	113.2	E170 T171 N173 P174 Q178 A179 Q180	E170-A176 WeakPolarHBondContact O-CB 3.42Å; T171-A176 WeakPolarHBondContact O-CB 3.31Å; N173-A176 WeakPolarHBondContact O-CB 3.4Å; N173-A176 PolarHBondContact O-N 2.78Å; P174-A176 VanDerWaalsContact C-N 3.29Å; A176-Q178 PolarHBondContact O-N 3.05Å; A176-A179 PolarHBondContact O-N 3.43Å; A176-Q180 WeakPolarHBondContact O-CB 3.17Å; A176-Q180 PolarHBondContact O-N 3.21Å
177	R	87	Confident	90.3	Very high	174 Å²	174	44.6 Å²	44.6	66%	0.657	22%	0.223	S	C	*	.	H	α-helix	trans	-62.2	-45.3	179.8	-174.5	176.6	178.7	174.6	-2.5	112	L175 Q180 D181	L175-R177 VanDerWaalsContact C-N 3.31Å; L175-R177 PolarHBondContact O-N 3.41Å; R177-Q180 PolarHBondContact O-N 3.24Å; R177-D181 PolarHBondContact O-N 2.9Å
178	Q	89.1	Confident	89.7	Confident	87 Å²	87	47.1 Å²	47.1	41%	0.407	23%	0.234	S	C	.	.	H	α-helix	trans	-67.5	-44.7	178.3	-62.2	174.9	3.8	0	0	110.9	L175 A176 Q180 D181 F182 V374	L175-Q178 PolarHBondContact O-N 3.48Å; A176-Q178 PolarHBondContact O-N 3.05Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3Å; Q178-D181 PolarHBondContact O-N 3.23Å; Q178-F182 WeakPolarHBondContact O-CB 3.3Å; Q178-F182 PolarHBondContact O-N 3.27Å; Q178-V374 HydrophobicContact CG-CG2 3.94Å
179	A	91.6	Very high	89.2	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-39.1	176.5	0	0	0	0	0	111.7	P158 L159 L169 L175 A176 F182 L183 L226	P158-A179 HydrophobicContact CG-CB 3.81Å; L159-A179 HydrophobicContact CD2-CB 4.31Å; L169-A179 HydrophobicContact CD1-CB 3.67Å; L175-A179 WeakPolarHBondContact O-CB 3.34Å; L175-A179 PolarHBondContact O-N 3.04Å; A176-A179 PolarHBondContact O-N 3.43Å; A179-F182 PolarHBondContact O-N 2.85Å; A179-L183 WeakPolarHBondContact O-CB 3.35Å; A179-L183 VanDerWaalsContact O-CG 3.23Å; A179-L183 WeakPolarHBondContact O-CG 3.38Å; A179-L183 PolarHBondContact O-N 3.49Å; A179-L226 HydrophobicContact CB-CD1 3.91Å; A179-L226 HydrophobicContact CB-CD2 4.49Å
180	Q	89	Confident	88.6	Confident	35 Å²	35	48 Å²	48	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-48.9	176.5	177.5	171.1	6.6	0	0	112.2	L169 A176 R177 Q178 F182 L183 I184 N647	L169-Q180 HydrophobicContact CD2-CB 3.87Å; A176-Q180 WeakPolarHBondContact O-CB 3.17Å; A176-Q180 PolarHBondContact O-N 3.21Å; R177-Q180 PolarHBondContact O-N 3.24Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3Å; Q180-F182 VanDerWaalsContact C-N 3.25Å; Q180-F182 PolarHBondContact O-N 2.77Å; Q180-L183 PolarHBondContact O-N 3.4Å; Q180-I184 HydrophobicContact CG-CD1 3.73Å; Q180-I184 HydrophobicContact CG-CG1 4.41Å; Q180-I184 WeakPolarHBondContact O-CB 3.46Å; Q180-I184 WeakPolarHBondContact O-CD1 3.34Å; Q180-I184 WeakPolarHBondContact O-CG1 3.39Å; Q180-I184 PolarHBondContact O-N 3.31Å; Q180-N647 PolarHBondContact NE2-ND2 3.05Å
181	D	84.8	Confident	88	Confident	73 Å²	73	47.8 Å²	47.8	39%	0.39	25%	0.247	S	C	.	.	H	α-helix	trans	-60.2	-39	177.9	-86.5	-42.6	0	0	0	111.5	R177 Q178 A185 K476	R177-D181 PolarHBondContact O-N 2.9Å; Q178-D181 PolarHBondContact O-N 3.23Å; D181-A185 PolarHBondContact O-N 3.01Å; D181-K476 IonicContact OD1-NZ 3.89Å; D181-K476 PolarHBondContact OD1-NZ 2.86Å
182	F	90.3	Very high	87.5	Confident	29 Å²	29	46.8 Å²	46.8	13%	0.127	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-49.5	173.9	177.5	-108.8	0	0	0	112.4	Q178 A179 Q180 I184 A185 I186 I219 C222 L223 L226	Q178-F182 WeakPolarHBondContact O-CB 3.3Å; Q178-F182 PolarHBondContact O-N 3.27Å; A179-F182 PolarHBondContact O-N 2.85Å; Q180-F182 VanDerWaalsContact C-N 3.25Å; Q180-F182 PolarHBondContact O-N 2.77Å; F182-I184 VanDerWaalsContact C-N 3.31Å; F182-I184 PolarHBondContact O-N 2.91Å; F182-A185 WeakPolarHBondContact O-CA 3.34Å; F182-A185 WeakPolarHBondContact O-CB 3.34Å; F182-A185 PolarHBondContact O-N 2.98Å; F182-I186 HydrophobicContact CD1-CD1 4.05Å; F182-I186 HydrophobicContact CD1-CG1 4.38Å; F182-I186 HydrophobicContact CD2-CG2 4.49Å; F182-I186 HydrophobicContact CE1-CD1 3.34Å; F182-I186 HydrophobicContact CE1-CG1 4.08Å; F182-I186 HydrophobicContact CE2-CD1 4.48Å; F182-I186 HydrophobicContact CE2-CG2 3.98Å; F182-I186 HydrophobicContact CZ-CD1 3.6Å; F182-I186 HydrophobicContact CZ-CG1 4.26Å; F182-I186 HydrophobicContact CZ-CG2 4.09Å; F182-I186 PolarHBondContact O-N 3.36Å; F182-I219 HydrophobicContact CZ-CG2 4.31Å; F182-C222 HydrophobicContact CD2-CB 4.34Å; F182-C222 HydrophobicContact CE1-CB 3.93Å; F182-C222 HydrophobicContact CE2-CB 3.75Å; F182-C222 HydrophobicContact CZ-CB 3.52Å; F182-L223 HydrophobicContact CE1-CD2 3.87Å; F182-L223 HydrophobicContact CE1-CG 3.99Å; F182-L223 HydrophobicContact CZ-CG 4.37Å; F182-L226 HydrophobicContact CD1-CD1 4.31Å
183	L	91.1	Very high	86.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-37	179.5	-73.9	176	0	0	0	112.4	L159 I167 L169 A179 Q180 A185 I186 S187 Y199	L159-L183 HydrophobicContact CD2-CD1 3.7Å; I167-L183 HydrophobicContact CD1-CD2 3.66Å; I167-L183 HydrophobicContact CG2-CD1 4.09Å; I167-L183 HydrophobicContact CG2-CD2 3.98Å; L169-L183 HydrophobicContact CB-CD1 4Å; L169-L183 HydrophobicContact CD2-CD1 4.21Å; A179-L183 WeakPolarHBondContact O-CB 3.35Å; A179-L183 VanDerWaalsContact O-CG 3.23Å; A179-L183 WeakPolarHBondContact O-CG 3.38Å; A179-L183 PolarHBondContact O-N 3.49Å; Q180-L183 PolarHBondContact O-N 3.4Å; L183-A185 PolarHBondContact O-N 3.36Å; L183-I186 HydrophobicContact CD2-CD1 4.29Å; L183-I186 HydrophobicContact CD2-CG1 4.38Å; L183-I186 PolarHBondContact O-N 2.87Å; L183-S187 WeakPolarHBondContact O-CA 3.38Å; L183-S187 PolarHBondContact O-N 2.88Å; L183-S187 PolarHBondContact O-OG 3.34Å; L183-Y199 HydrophobicContact CB-CD1 4.06Å; L183-Y199 HydrophobicContact CB-CD2 4.4Å; L183-Y199 HydrophobicContact CB-CE1 4.04Å; L183-Y199 HydrophobicContact CB-CE2 4.37Å; L183-Y199 HydrophobicContact CB-CG 4.25Å; L183-Y199 HydrophobicContact CD1-CD2 3.72Å; L183-Y199 HydrophobicContact CD1-CE2 3.88Å; L183-Y199 HydrophobicContact CD1-CG 4.21Å
184	I	84.2	Confident	86.3	Confident	35 Å²	35	47.6 Å²	47.6	18%	0.179	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-23.6	174	-70.7	166.5	0	0	0	112.1	Q180 F182 Y199	Q180-I184 HydrophobicContact CG-CD1 3.73Å; Q180-I184 HydrophobicContact CG-CG1 4.41Å; Q180-I184 WeakPolarHBondContact O-CB 3.46Å; Q180-I184 WeakPolarHBondContact O-CD1 3.34Å; Q180-I184 WeakPolarHBondContact O-CG1 3.39Å; Q180-I184 PolarHBondContact O-N 3.31Å; F182-I184 VanDerWaalsContact C-N 3.31Å; F182-I184 PolarHBondContact O-N 2.91Å; I184-Y199 HydrophobicContact CG1-CE1 4.33Å
185	A	83.8	Confident	86.1	Confident	23 Å²	23	47.1 Å²	47.1	19%	0.19	24%	0.238	C	C	.	.	H	α-helix	trans	-84.6	-33.7	176.5	0	0	0	0	0	113	D181 F182 L183 A209 L214	D181-A185 PolarHBondContact O-N 3.01Å; F182-A185 WeakPolarHBondContact O-CA 3.34Å; F182-A185 WeakPolarHBondContact O-CB 3.34Å; F182-A185 PolarHBondContact O-N 2.98Å; L183-A185 PolarHBondContact O-N 3.36Å; A185-A209 WeakPolarHBondContact O-CB 3.49Å; A185-L214 HydrophobicContact CB-CD1 3.91Å
186	I	89.4	Confident	86.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-109.5	-14.4	-170.1	66.8	155.2	0	0	0	115.4	F182 L183 L201 S205 A209 L214 I219 L223	F182-I186 HydrophobicContact CD1-CD1 4.05Å; F182-I186 HydrophobicContact CD1-CG1 4.38Å; F182-I186 HydrophobicContact CD2-CG2 4.49Å; F182-I186 HydrophobicContact CE1-CD1 3.34Å; F182-I186 HydrophobicContact CE1-CG1 4.08Å; F182-I186 HydrophobicContact CE2-CD1 4.48Å; F182-I186 HydrophobicContact CE2-CG2 3.98Å; F182-I186 HydrophobicContact CZ-CD1 3.6Å; F182-I186 HydrophobicContact CZ-CG1 4.26Å; F182-I186 HydrophobicContact CZ-CG2 4.09Å; F182-I186 PolarHBondContact O-N 3.36Å; L183-I186 HydrophobicContact CD2-CD1 4.29Å; L183-I186 HydrophobicContact CD2-CG1 4.38Å; L183-I186 PolarHBondContact O-N 2.87Å; I186-L201 HydrophobicContact CD1-CD2 4.19Å; I186-S205 VanDerWaalsContact O-CB 3.32Å; I186-S205 WeakPolarHBondContact O-CB 3.35Å; I186-S205 PolarHBondContact O-OG 3.14Å; I186-A209 HydrophobicContact CB-CB 4.39Å; I186-A209 HydrophobicContact CG2-CB 3.89Å; I186-L214 HydrophobicContact CG2-CD1 3.89Å; I186-I219 HydrophobicContact CD1-CG2 4.25Å; I186-I219 HydrophobicContact CG2-CD1 4.42Å; I186-I219 HydrophobicContact CG2-CG1 4.19Å; I186-I219 HydrophobicContact CG2-CG2 4.38Å; I186-L223 HydrophobicContact CD1-CD1 4.3Å; I186-L223 HydrophobicContact CD1-CD2 3.96Å; I186-L223 HydrophobicContact CD1-CG 4.27Å
187	S	88.9	Confident	86.1	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.042	24%	0.24	C	C	.	.	S	Bend	trans	-140.1	162.3	-171	66.1	0	0	0	0	111.7	L183 Y199 K200 S205	L183-S187 WeakPolarHBondContact O-CA 3.38Å; L183-S187 PolarHBondContact O-N 2.88Å; L183-S187 PolarHBondContact O-OG 3.34Å; S187-Y199 WeakPolarHBondContact OG-CB 3.45Å; S187-Y199 WeakPolarHBondContact OG-CD1 3.43Å; S187-K200 WeakPolarHBondContact CB-O 3.26Å; S187-S205 WeakPolarHBondContact CA-OG 3.15Å
188	E	82.2	Confident	86.3	Confident	52 Å²	52	41.4 Å²	41.4	24%	0.243	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.4	175.4	-59.4	-172.8	-157.9	0	0	110.4	Y199 K200 T202	E188-Y199 CarbonylContact O-C 3.49Å; E188-Y199 VanDerWaalsContact O-CA 3.23Å; E188-Y199 WeakPolarHBondContact O-CA 3.35Å; E188-K200 PolarHBondContact N-O 3.29Å; E188-K200 PolarHBondContact O-N 2.66Å; E188-T202 HydrophobicContact CG-CG2 4.21Å; E188-T202 PolarHBondContact OE1-OG1 2.89Å
189	P	83.2	Confident	86.4	Confident	30 Å²	30	37.2 Å²	37.2	20%	0.195	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132	174.5	29.2	-33.4	0	0	0	110.7	R192 Y199 E645	P189-R192 HydrophobicContact CB-CG 4.35Å; P189-Y199 HydrophobicContact CB-CD1 4.03Å; P189-Y199 HydrophobicContact CB-CE1 3.9Å; P189-E645 WeakPolarHBondContact CG-OE2 3.24Å
190	V	82.7	Confident	86.3	Confident	62 Å²	62	38.5 Å²	38.5	38%	0.376	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-55.2	174	180	0	0	0	0	109.6	E198 K200	V190-E198 HydrophobicContact CB-CB 4.2Å; V190-E198 HydrophobicContact CB-CG 3.95Å; V190-E198 HydrophobicContact CG1-CG 4.39Å; V190-E198 HydrophobicContact CG2-CG 4.35Å; V190-E198 PolarHBondContact N-O 2.8Å; V190-K200 HydrophobicContact CG2-CB 3.7Å
191	C	81.9	Confident	86.4	Confident	20 Å²	20	36.9 Å²	36.9	14%	0.135	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.5	175.4	75.7	0	0	0	0	111.2	E198 N837	C191-E198 PolarHBondContact N-O 2.7Å; C191-E198 PolarHBondContact O-N 3.48Å; C191-E198 WeakPolarHBondContact SG-CB 3.29Å; C191-E198 PolarHBondContact SG-OE2 3.26Å; C191-E198 VanDerWaalsContact SG-OE2 3.36Å; C191-N837 HydrophobicContact CB-CB 4.46Å
192	R	81.3	Confident	86.3	Confident	15 Å²	15	34 Å²	34	6%	0.057	18%	0.181	C	C	.	.			trans	-134	64.9	179.4	-66.7	-178.2	-66.1	-156.8	-9.5	112	P189 H197 E645 N837	P189-R192 HydrophobicContact CB-CG 4.35Å; R192-H197 HydrophobicContact CG-CB 4.37Å; R192-E645 IonicContact CZ-OE1 2.67Å; R192-E645 IonicContact NH1-OE1 3.42Å; R192-E645 IonicContact NH2-OE1 2.87Å; R192-E645 PolarHBondContact NH2-OE1 3.07Å; R192-N837 PolarHBondContact N-O 2.89Å
193	P	78.6	Confident	86	Confident	47 Å²	47	32.8 Å²	32.8	31%	0.305	18%	0.176	S	C	.	.			trans	-71.9	178.7	171.9	35.3	-38.1	0	0	0	110.8	H195 I196 H197	P193-H195 PolarHBondContact O-N 3.25Å; P193-I196 WeakPolarHBondContact CD-O 3.13Å; P193-I196 WeakPolarHBondContact CG-O 3.46Å; P193-H197 PolarHBondContact O-CD2 3.49Å; P193-H197 PolarHBondContact O-NE2 2.9Å
194	L	79.5	Confident	85.4	Confident	116 Å²	116	34.4 Å²	34.4	61%	0.607	18%	0.182	S	C	*	.	S	Bend	trans	-61.1	-37.2	-170.3	-173.4	62.3	0	0	0	114.8	T171	T171-L194 PolarHBondContact OG1-O 2.87Å
195	H	87.1	Confident	85.4	Confident	116 Å²	116	33.2 Å²	33.2	54%	0.537	18%	0.177	S	C	.	.	S	Bend	trans	-109.4	-36.9	-167.1	-63.5	-55.3	0	0	0	115.5	T171 F172 P193	T171-H195 PolarHBondContact N-O 2.7Å; T171-H195 VanDerWaalsContact OG1-C 3.27Å; T171-H195 VanDerWaalsContact OG1-CA 3.28Å; T171-H195 WeakPolarHBondContact OG1-CA 3.21Å; T171-H195 PolarHBondContact OG1-O 3.05Å; F172-H195 HydrophobicContact CD1-CB 4.48Å; P193-H195 PolarHBondContact O-N 3.25Å
196	I	91.2	Very high	85.6	Confident	78 Å²	78	32.1 Å²	32.1	40%	0.4	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	111.9	-175.8	-59.7	177.6	0	0	0	108.2	F168 L169 F172 P193	F168-I196 HydrophobicContact CB-CG2 4.13Å; F168-I196 HydrophobicContact CD1-CG2 4.45Å; L169-I196 CarbonylContact O-C 3.59Å; L169-I196 VanDerWaalsContact O-CA 3.31Å; L169-I196 WeakPolarHBondContact O-CA 3.4Å; F172-I196 HydrophobicContact CE1-CG1 4.38Å; P193-I196 WeakPolarHBondContact CD-O 3.13Å; P193-I196 WeakPolarHBondContact CG-O 3.46Å
197	H	90.5	Very high	85.3	Confident	5 Å²	5	32.6 Å²	32.6	2%	0.023	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	149.3	173	-62.6	173.6	0	0	0	110.3	F168 L169 T171 R192 P193 Y199	F168-H197 CarbonylContact C-O 3.6Å; F168-H197 WeakPolarHBondContact CA-O 3.36Å; L169-H197 HydrophobicContact CB-CB 4.24Å; L169-H197 HydrophobicContact CD2-CB 4.47Å; L169-H197 PolarHBondContact N-O 3.16Å; L169-H197 PolarHBondContact O-N 2.97Å; T171-H197 VanDerWaalsContact CG2-CD2 3.41Å; T171-H197 WeakPolarHBondContact CG2-CD2 3.22Å; T171-H197 VanDerWaalsContact CG2-NE2 3.33Å; T171-H197 WeakPolarHBondContact CG2-NE2 3.33Å; R192-H197 HydrophobicContact CG-CB 4.37Å; P193-H197 PolarHBondContact O-CD2 3.49Å; P193-H197 PolarHBondContact O-NE2 2.9Å; H197-Y199 HydrophobicContact CB-CD2 4.2Å; H197-Y199 HydrophobicContact CB-CE2 3.54Å
198	E	91.5	Very high	84.8	Confident	40 Å²	40	32.9 Å²	32.9	19%	0.187	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.6	172.5	-172.6	-175.8	175.7	0	0	109.8	H166 I167 F168 V190 C191	H166-E198 IonicContact CE1-OE1 3.17Å; H166-E198 PolarHBondContact CE1-OE1 2.92Å; H166-E198 IonicContact CG-OE1 3.73Å; H166-E198 IonicContact ND1-OE1 2.82Å; H166-E198 PolarHBondContact ND1-OE1 2.93Å; I167-E198 CarbonylContact O-C 3.55Å; I167-E198 WeakPolarHBondContact O-CA 3.26Å; F168-E198 HydrophobicContact CD1-CB 4.16Å; F168-E198 HydrophobicContact CD1-CG 3.99Å; F168-E198 HydrophobicContact CE1-CB 4.2Å; F168-E198 HydrophobicContact CE1-CG 3.65Å; F168-E198 HydrophobicContact CZ-CG 4.42Å; V190-E198 HydrophobicContact CB-CB 4.2Å; V190-E198 HydrophobicContact CB-CG 3.95Å; V190-E198 HydrophobicContact CG1-CG 4.39Å; V190-E198 HydrophobicContact CG2-CG 4.35Å; V190-E198 PolarHBondContact N-O 2.8Å; C191-E198 PolarHBondContact N-O 2.7Å; C191-E198 PolarHBondContact O-N 3.48Å; C191-E198 WeakPolarHBondContact SG-CB 3.29Å; C191-E198 PolarHBondContact SG-OE2 3.26Å; C191-E198 VanDerWaalsContact SG-OE2 3.36Å
199	Y	91.5	Very high	84.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158.3	175.8	-65	-99.7	0	0	0	109.6	H166 I167 L169 L183 I184 S187 E188 P189 H197	H166-Y199 CarbonylContact C-O 3.53Å; H166-Y199 WeakPolarHBondContact CA-O 3.34Å; I167-Y199 PolarHBondContact N-O 3.24Å; I167-Y199 PolarHBondContact O-N 2.85Å; L169-Y199 HydrophobicContact CB-CD2 4.5Å; L169-Y199 HydrophobicContact CB-CE2 4.24Å; L169-Y199 HydrophobicContact CD2-CE2 4.05Å; L183-Y199 HydrophobicContact CB-CD1 4.06Å; L183-Y199 HydrophobicContact CB-CD2 4.4Å; L183-Y199 HydrophobicContact CB-CE1 4.04Å; L183-Y199 HydrophobicContact CB-CE2 4.37Å; L183-Y199 HydrophobicContact CB-CG 4.25Å; L183-Y199 HydrophobicContact CD1-CD2 3.72Å; L183-Y199 HydrophobicContact CD1-CE2 3.88Å; L183-Y199 HydrophobicContact CD1-CG 4.21Å; I184-Y199 HydrophobicContact CG1-CE1 4.33Å; S187-Y199 WeakPolarHBondContact OG-CB 3.45Å; S187-Y199 WeakPolarHBondContact OG-CD1 3.43Å; E188-Y199 CarbonylContact O-C 3.49Å; E188-Y199 VanDerWaalsContact O-CA 3.23Å; E188-Y199 WeakPolarHBondContact O-CA 3.35Å; P189-Y199 HydrophobicContact CB-CD1 4.03Å; P189-Y199 HydrophobicContact CB-CE1 3.9Å; H197-Y199 HydrophobicContact CB-CD2 4.2Å; H197-Y199 HydrophobicContact CB-CE2 3.54Å
200	K	89.9	Confident	85	Confident	26 Å²	26	30.6 Å²	30.6	11%	0.113	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.5	174.8	-171.5	170.4	-168.8	165.1	0	109.7	D100 E103 S187 E188 V190 T202	D100-K200 WeakPolarHBondContact OD2-CE 3.48Å; D100-K200 IonicContact OD2-NZ 4Å; D100-K200 PolarHBondContact OD2-NZ 2.9Å; E103-K200 IonicContact OE1-NZ 2.94Å; E103-K200 PolarHBondContact OE1-NZ 3.39Å; S187-K200 WeakPolarHBondContact CB-O 3.26Å; E188-K200 PolarHBondContact N-O 3.29Å; E188-K200 PolarHBondContact O-N 2.66Å; V190-K200 HydrophobicContact CG2-CB 3.7Å; K200-T202 HydrophobicContact CG-CG2 4.42Å; K200-T202 PolarHBondContact O-N 2.58Å
201	L	89.9	Confident	84.7	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.148	C	C	.	.			trans	-77.4	118.6	169.4	-70.5	172	0	0	0	109.4	G165 I167 I186 L206 I235	G165-L201 PolarHBondContact O-N 3.46Å; I167-L201 HydrophobicContact CD1-CD1 3.97Å; I167-L201 HydrophobicContact CD1-CD2 3.95Å; I167-L201 HydrophobicContact CD1-CG 3.69Å; I167-L201 HydrophobicContact CG1-CG 4.33Å; I186-L201 HydrophobicContact CD1-CD2 4.19Å; L201-L206 HydrophobicContact CD2-CD2 4.32Å; L201-I235 HydrophobicContact CD1-CD1 4.48Å; L201-I235 HydrophobicContact CD1-CG2 3.96Å
202	T	84.3	Confident	84.3	Confident	12 Å²	12	30.5 Å²	30.5	7%	0.074	16%	0.161	C	C	.	.			trans	-114.8	157.7	174.1	68.1	0	0	0	0	109.3	D102 E188 K200 Y204 S205 L206	D102-T202 WeakPolarHBondContact OD2-CA 3.42Å; D102-T202 VanDerWaalsContact OD2-CB 3.3Å; D102-T202 WeakPolarHBondContact OD2-CB 3.04Å; E188-T202 HydrophobicContact CG-CG2 4.21Å; E188-T202 PolarHBondContact OE1-OG1 2.89Å; K200-T202 HydrophobicContact CG-CG2 4.42Å; K200-T202 PolarHBondContact O-N 2.58Å; T202-Y204 PolarHBondContact O-N 3.37Å; T202-S205 PolarHBondContact N-OG 3.03Å; T202-S205 PolarHBondContact O-N 3.03Å; T202-S205 PolarHBondContact O-OG 3.42Å; T202-S205 WeakPolarHBondContact OG1-CB 3.48Å; T202-S205 PolarHBondContact OG1-N 3.05Å; T202-S205 PolarHBondContact OG1-OG 3.12Å; T202-L206 WeakPolarHBondContact O-CG 3.3Å; T202-L206 PolarHBondContact O-N 2.96Å
203	S	82.9	Confident	84.3	Confident	4 Å²	4	32 Å²	32	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-39.5	176.7	52.1	0	0	0	0	110.5	L206 Y207 Y238	S203-L206 PolarHBondContact O-N 3.18Å; S203-Y207 WeakPolarHBondContact O-CD2 3.47Å; S203-Y207 PolarHBondContact O-N 2.92Å; S203-Y238 WeakPolarHBondContact CA-OH 3.34Å; S203-Y238 WeakPolarHBondContact CB-OH 3.43Å; S203-Y238 PolarHBondContact N-OH 3.37Å
204	Y	80.1	Confident	84.6	Confident	34 Å²	34	31.8 Å²	31.8	13%	0.133	18%	0.177	C	C	.	.	H	α-helix	trans	-64.6	-40.1	177.2	-62.7	-73.4	0	0	0	114.3	T202 L206 Y207 A208 I439 N636	T202-Y204 PolarHBondContact O-N 3.37Å; Y204-L206 VanDerWaalsContact C-N 3.31Å; Y204-Y207 HydrophobicContact CD1-CD2 4.25Å; Y204-Y207 PolarHBondContact O-N 3.22Å; Y204-A208 WeakPolarHBondContact O-CB 2.99Å; Y204-A208 PolarHBondContact O-N 2.93Å; Y204-I439 HydrophobicContact CE1-CD1 4.1Å; Y204-I439 HydrophobicContact CE1-CG2 4.49Å; Y204-N636 HydrophobicContact CD1-CB 3.51Å; Y204-N636 HydrophobicContact CD2-CB 4.26Å; Y204-N636 VanDerWaalsContact CD2-ND2 3.27Å; Y204-N636 WeakPolarHBondContact CD2-ND2 3.28Å; Y204-N636 HydrophobicContact CE1-CB 3.48Å; Y204-N636 VanDerWaalsContact CE1-CB 3.48Å; Y204-N636 HydrophobicContact CE2-CB 4.23Å; Y204-N636 HydrophobicContact CG-CB 3.9Å
205	S	83.6	Confident	85.1	Confident	10 Å²	10	33.7 Å²	33.7	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-37	176.8	70.9	0	0	0	0	111.5	I186 S187 T202 A208 A209	I186-S205 VanDerWaalsContact O-CB 3.32Å; I186-S205 WeakPolarHBondContact O-CB 3.35Å; I186-S205 PolarHBondContact O-OG 3.14Å; S187-S205 WeakPolarHBondContact CA-OG 3.15Å; T202-S205 PolarHBondContact N-OG 3.03Å; T202-S205 PolarHBondContact O-N 3.03Å; T202-S205 PolarHBondContact O-OG 3.42Å; T202-S205 WeakPolarHBondContact OG1-CB 3.48Å; T202-S205 PolarHBondContact OG1-N 3.05Å; T202-S205 PolarHBondContact OG1-OG 3.12Å; S205-A208 PolarHBondContact O-N 3.27Å; S205-A209 PolarHBondContact O-N 3.22Å
206	L	87.5	Confident	85.2	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.9	-41.4	174.1	-67.7	173.9	0	0	0	112	L201 T202 S203 Y204 A208 A209 V210 Y238 I239 C242 T243	L201-L206 HydrophobicContact CD2-CD2 4.32Å; T202-L206 WeakPolarHBondContact O-CG 3.3Å; T202-L206 PolarHBondContact O-N 2.96Å; S203-L206 PolarHBondContact O-N 3.18Å; Y204-L206 VanDerWaalsContact C-N 3.31Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 3.4Å; L206-A209 WeakPolarHBondContact O-CB 3.42Å; L206-A209 PolarHBondContact O-N 3.11Å; L206-V210 WeakPolarHBondContact O-CG2 3.47Å; L206-V210 PolarHBondContact O-N 3.2Å; L206-Y238 HydrophobicContact CD1-CD1 4.07Å; L206-Y238 HydrophobicContact CD1-CE1 3.74Å; L206-I239 HydrophobicContact CD1-CG1 4.11Å; L206-I239 HydrophobicContact CD2-CG1 4.28Å; L206-C242 HydrophobicContact CB-CB 4.33Å; L206-C242 HydrophobicContact CD1-CB 4.05Å; L206-T243 HydrophobicContact CB-CG2 4.48Å
207	Y	82.2	Confident	85.2	Confident	11 Å²	11	27 Å²	27	4%	0.043	15%	0.154	C	C	.	.	H	α-helix	trans	-58.5	-45	172.7	-63.9	-30.5	0	0	0	111.5	S203 Y204 A209 V210 S211 C242 Y246 P444	S203-Y207 WeakPolarHBondContact O-CD2 3.47Å; S203-Y207 PolarHBondContact O-N 2.92Å; Y204-Y207 HydrophobicContact CD1-CD2 4.25Å; Y204-Y207 PolarHBondContact O-N 3.22Å; Y207-A209 VanDerWaalsContact C-N 3.34Å; Y207-A209 PolarHBondContact O-N 2.99Å; Y207-V210 PolarHBondContact O-N 2.78Å; Y207-S211 PolarHBondContact O-N 2.96Å; Y207-C242 HydrophobicContact CE1-CB 3.92Å; Y207-C242 VanDerWaalsContact CE1-O 3.26Å; Y207-C242 WeakPolarHBondContact CE1-O 3.4Å; Y207-Y246 VanDerWaalsContact CB-CD2 3.49Å; Y207-Y246 AromaticContact CD1-CD2 3.58Å; Y207-Y246 HydrophobicContact CD1-CD2 3.58Å; Y207-Y246 HydrophobicContact CD1-CE2 4.46Å; Y207-Y246 HydrophobicContact CD1-CG 4.25Å; Y207-Y246 AromaticContact CG-CD2 3.77Å; Y207-Y246 HydrophobicContact CG-CD2 3.77Å; Y207-Y246 HydrophobicContact CG-CE2 4.22Å; Y207-Y246 WeakPolarHBondContact O-CE2 3.44Å; Y207-Y246 PolarHBondContact O-OH 2.81Å; Y207-P444 HydrophobicContact CD1-CG 3.92Å; Y207-P444 HydrophobicContact CD2-CB 4.3Å; Y207-P444 HydrophobicContact CD2-CG 3.75Å; Y207-P444 HydrophobicContact CE1-CG 3.86Å; Y207-P444 HydrophobicContact CE2-CB 4.32Å; Y207-P444 HydrophobicContact CE2-CG 3.76Å; Y207-P444 HydrophobicContact CG-CG 3.87Å
208	A	80.2	Confident	85.3	Confident	12 Å²	12	30.2 Å²	30.2	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-41.2	175.1	0	0	0	0	0	112.2	Y204 S205 L206 S211 V212 P641	Y204-A208 WeakPolarHBondContact O-CB 2.99Å; Y204-A208 PolarHBondContact O-N 2.93Å; S205-A208 PolarHBondContact O-N 3.27Å; L206-A208 VanDerWaalsContact C-N 3.32Å; L206-A208 PolarHBondContact O-N 3.4Å; A208-S211 WeakPolarHBondContact O-CB 3.16Å; A208-S211 PolarHBondContact O-N 2.89Å; A208-V212 WeakPolarHBondContact O-CG2 3.26Å; A208-V212 PolarHBondContact O-N 3.21Å; A208-P641 HydrophobicContact CB-CB 3.87Å; A208-P641 HydrophobicContact CB-CG 4.38Å
209	A	84.4	Confident	85.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.6	-48	177.7	0	0	0	0	0	112.5	A185 I186 S205 L206 Y207 S211 V212 G213 L214 I219	A185-A209 WeakPolarHBondContact O-CB 3.49Å; I186-A209 HydrophobicContact CB-CB 4.39Å; I186-A209 HydrophobicContact CG2-CB 3.89Å; S205-A209 PolarHBondContact O-N 3.22Å; L206-A209 WeakPolarHBondContact O-CB 3.42Å; L206-A209 PolarHBondContact O-N 3.11Å; Y207-A209 VanDerWaalsContact C-N 3.34Å; Y207-A209 PolarHBondContact O-N 2.99Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 2.69Å; A209-V212 PolarHBondContact O-N 2.81Å; A209-V212 VanDerWaalsContact O-N 3.12Å; A209-G213 PolarHBondContact O-N 3.33Å; A209-L214 HydrophobicContact CB-CD1 4.04Å; A209-L214 WeakPolarHBondContact O-CB 3.46Å; A209-L214 PolarHBondContact O-N 3.24Å; A209-I219 HydrophobicContact CB-CD1 4.27Å
210	V	84.3	Confident	85.4	Confident	34 Å²	34	28.7 Å²	28.7	21%	0.206	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-35.5	178	-177.7	0	0	0	0	110.8	L206 Y207 V212 G213 T243 Y246	L206-V210 WeakPolarHBondContact O-CG2 3.47Å; L206-V210 PolarHBondContact O-N 3.2Å; Y207-V210 PolarHBondContact O-N 2.78Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-V212 PolarHBondContact O-N 2.89Å; V210-G213 PolarHBondContact O-N 3.2Å; V210-G213 VanDerWaalsContact O-N 3.07Å; V210-T243 HydrophobicContact CG2-CG2 3.49Å; V210-T243 VanDerWaalsContact CG2-CG2 3.49Å; V210-Y246 HydrophobicContact CB-CD1 3.62Å; V210-Y246 HydrophobicContact CB-CE1 4.1Å; V210-Y246 HydrophobicContact CB-CG 4.11Å; V210-Y246 HydrophobicContact CG1-CD1 3.42Å; V210-Y246 VanDerWaalsContact CG1-CD1 3.42Å; V210-Y246 HydrophobicContact CG1-CE1 4.1Å; V210-Y246 HydrophobicContact CG1-CG 4.15Å
211	S	75.6	Confident	85.6	Confident	13 Å²	13	28.8 Å²	28.8	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-50.9	-52.8	169.1	-154.4	0	0	0	0	111.2	Y207 A208 A209 G213 Y246 R488	Y207-S211 PolarHBondContact O-N 2.96Å; A208-S211 WeakPolarHBondContact O-CB 3.16Å; A208-S211 PolarHBondContact O-N 2.89Å; A209-S211 VanDerWaalsContact C-N 3.28Å; A209-S211 PolarHBondContact O-N 2.69Å; S211-G213 PolarHBondContact O-N 3.11Å; S211-Y246 WeakPolarHBondContact CB-OH 3.4Å; S211-Y246 PolarHBondContact OG-OH 2.83Å; S211-R488 PolarHBondContact O-NH1 2.78Å; S211-R488 PolarHBondContact O-NH2 2.82Å; S211-R488 WeakPolarHBondContact OG-CD 3.36Å; S211-R488 PolarHBondContact OG-NE 3.44Å; S211-R488 PolarHBondContact OG-NH1 3.48Å
212	V	74.6	Confident	85.7	Confident	66 Å²	66	30 Å²	30	40%	0.4	18%	0.179	S	C	.	.	H	α-helix	trans	-61.7	-19.1	-177.8	176.6	0	0	0	0	112.6	A208 A209 V210	A208-V212 WeakPolarHBondContact O-CG2 3.26Å; A208-V212 PolarHBondContact O-N 3.21Å; A209-V212 PolarHBondContact O-N 2.81Å; A209-V212 VanDerWaalsContact O-N 3.12Å; V210-V212 VanDerWaalsContact C-N 3.31Å; V210-V212 PolarHBondContact O-N 2.89Å
213	G	80	Confident	86.1	Confident	48 Å²	48	29.4 Å²	29.4	50%	0.495	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	116	3	176.8	0	0	0	0	0	113.7	A209 V210 S211 R215	A209-G213 PolarHBondContact O-N 3.33Å; V210-G213 PolarHBondContact O-N 3.2Å; V210-G213 VanDerWaalsContact O-N 3.07Å; S211-G213 PolarHBondContact O-N 3.11Å; G213-R215 PolarHBondContact O-N 3.12Å
214	L	85.3	Confident	86.6	Confident	41 Å²	41	34.7 Å²	34.7	22%	0.215	20%	0.195	C	C	.	.			trans	-71.2	124.2	177.8	-66.7	172.4	0	0	0	110.5	A185 I186 A209 I219	A185-L214 HydrophobicContact CB-CD1 3.91Å; I186-L214 HydrophobicContact CG2-CD1 3.89Å; A209-L214 HydrophobicContact CB-CD1 4.04Å; A209-L214 WeakPolarHBondContact O-CB 3.46Å; A209-L214 PolarHBondContact O-N 3.24Å; L214-I219 HydrophobicContact CB-CD1 4.18Å; L214-I219 HydrophobicContact CB-CG1 4.12Å
215	R	90	Very high	87.1	Confident	156 Å²	156	38.2 Å²	38.2	59%	0.589	21%	0.208	S	C	*	.			trans	-82	154	178.9	-56.4	-175.9	-169.1	-171.6	6.4	111.3	G213 G217 E218 I219	G213-R215 PolarHBondContact O-N 3.12Å; R215-G217 VanDerWaalsContact C-N 3.29Å; R215-G217 PolarHBondContact O-N 3.31Å; R215-E218 HydrophobicContact CB-CG 4.08Å; R215-E218 PolarHBondContact N-OE2 3.05Å; R215-E218 WeakPolarHBondContact O-CB 3.37Å; R215-E218 PolarHBondContact O-N 3.29Å; R215-E218 VanDerWaalsContact O-N 3.12Å; R215-I219 WeakPolarHBondContact O-CG1 3.35Å; R215-I219 PolarHBondContact O-N 3.38Å; R215-I219 VanDerWaalsContact O-N 3.11Å
216	T	90.7	Very high	87.5	Confident	18 Å²	18	38.3 Å²	38.3	11%	0.11	21%	0.208	C	C	.	.	H	α-helix	trans	-53	-45.3	177.7	-52	0	0	0	0	112.5	I219 I220 R240 T243	T216-I219 PolarHBondContact O-N 3.45Å; T216-I220 HydrophobicContact CG2-CD1 3.89Å; T216-I220 WeakPolarHBondContact O-CG1 3.48Å; T216-I220 PolarHBondContact O-N 3.25Å; T216-R240 HydrophobicContact CG2-CG 3.92Å; T216-T243 WeakPolarHBondContact CB-OG1 3.28Å; T216-T243 WeakPolarHBondContact CG2-OG1 3.48Å; T216-T243 VanDerWaalsContact OG1-CB 3.3Å; T216-T243 WeakPolarHBondContact OG1-CB 3.35Å; T216-T243 PolarHBondContact OG1-OG1 3.43Å
217	G	91	Very high	87.8	Confident	35 Å²	35	38.3 Å²	38.3	36%	0.361	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-39.6	178.9	0	0	0	0	0	113.3	R215 G221	R215-G217 VanDerWaalsContact C-N 3.29Å; R215-G217 PolarHBondContact O-N 3.31Å; G217-G221 PolarHBondContact O-N 3.43Å
218	E	91.5	Very high	88.3	Confident	73 Å²	73	38.6 Å²	38.6	34%	0.341	21%	0.209	S	C	.	.	H	α-helix	trans	-65	-44.7	178.7	-65.1	166	177.2	0	0	111.3	R215 G221 C222	R215-E218 HydrophobicContact CB-CG 4.08Å; R215-E218 PolarHBondContact N-OE2 3.05Å; R215-E218 WeakPolarHBondContact O-CB 3.37Å; R215-E218 PolarHBondContact O-N 3.29Å; R215-E218 VanDerWaalsContact O-N 3.12Å; E218-G221 PolarHBondContact O-N 3.49Å; E218-C222 VanDerWaalsContact O-CB 3.26Å; E218-C222 WeakPolarHBondContact O-CB 3.24Å; E218-C222 PolarHBondContact O-N 2.91Å
219	I	92.5	Very high	88.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-51.2	178.8	-63.5	170	0	0	0	110.1	F182 I186 A209 L214 R215 T216 C222 L223 I239 T243	F182-I219 HydrophobicContact CZ-CG2 4.31Å; I186-I219 HydrophobicContact CD1-CG2 4.25Å; I186-I219 HydrophobicContact CG2-CD1 4.42Å; I186-I219 HydrophobicContact CG2-CG1 4.19Å; I186-I219 HydrophobicContact CG2-CG2 4.38Å; A209-I219 HydrophobicContact CB-CD1 4.27Å; L214-I219 HydrophobicContact CB-CD1 4.18Å; L214-I219 HydrophobicContact CB-CG1 4.12Å; R215-I219 WeakPolarHBondContact O-CG1 3.35Å; R215-I219 PolarHBondContact O-N 3.38Å; R215-I219 VanDerWaalsContact O-N 3.11Å; T216-I219 PolarHBondContact O-N 3.45Å; I219-C222 PolarHBondContact O-N 3.48Å; I219-L223 HydrophobicContact CG2-CD1 4.16Å; I219-L223 WeakPolarHBondContact O-CG 3.41Å; I219-L223 PolarHBondContact O-N 2.81Å; I219-I239 HydrophobicContact CG2-CD1 4.34Å; I219-I239 HydrophobicContact CG2-CG2 4.13Å; I219-T243 HydrophobicContact CD1-CG2 4.13Å
220	I	93.8	Very high	88.9	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-41.9	-178.2	-64.9	165.7	0	0	0	110.9	T216 L223 R224 L231 V236 I239 R240	T216-I220 HydrophobicContact CG2-CD1 3.89Å; T216-I220 WeakPolarHBondContact O-CG1 3.48Å; T216-I220 PolarHBondContact O-N 3.25Å; I220-L223 PolarHBondContact O-N 2.91Å; I220-R224 WeakPolarHBondContact O-CB 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.48Å; I220-R224 PolarHBondContact O-N 2.85Å; I220-L231 HydrophobicContact CG2-CD2 4.4Å; I220-V236 HydrophobicContact CD1-CG1 4.19Å; I220-I239 HydrophobicContact CD1-CG2 4.29Å; I220-I239 HydrophobicContact CG1-CG2 4.01Å; I220-R240 HydrophobicContact CD1-CG 3.85Å
221	G	93	Very high	89.1	Confident	28 Å²	28	41.7 Å²	41.7	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-44.4	178.3	0	0	0	0	0	112.4	G217 E218 R224 R225	G217-G221 PolarHBondContact O-N 3.43Å; E218-G221 PolarHBondContact O-N 3.49Å; G221-R224 PolarHBondContact O-N 2.96Å; G221-R225 PolarHBondContact O-N 3.36Å; G221-R225 VanDerWaalsContact O-N 3.08Å
222	C	92.8	Very high	89.6	Confident	27 Å²	27	41.9 Å²	41.9	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-46.9	177	-171.2	0	0	0	0	111.8	F182 E218 I219 R224 R225 L226	F182-C222 HydrophobicContact CD2-CB 4.34Å; F182-C222 HydrophobicContact CE1-CB 3.93Å; F182-C222 HydrophobicContact CE2-CB 3.75Å; F182-C222 HydrophobicContact CZ-CB 3.52Å; E218-C222 VanDerWaalsContact O-CB 3.26Å; E218-C222 WeakPolarHBondContact O-CB 3.24Å; E218-C222 PolarHBondContact O-N 2.91Å; I219-C222 PolarHBondContact O-N 3.48Å; C222-R224 VanDerWaalsContact C-N 3.34Å; C222-R224 PolarHBondContact O-N 3Å; C222-R225 CarbonylContact O-C 3.52Å; C222-R225 WeakPolarHBondContact O-CA 3.33Å; C222-R225 PolarHBondContact O-N 3.34Å; C222-L226 PolarHBondContact O-N 3.38Å
223	L	93.2	Very high	90.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-44.6	176.1	-73.3	173.5	0	0	0	111.9	L159 I161 F182 I186 I219 I220 R225 L226 C227 L231 I239	L159-L223 HydrophobicContact CD1-CD2 4.42Å; I161-L223 HydrophobicContact CD1-CB 4.41Å; I161-L223 HydrophobicContact CD1-CD2 3.83Å; F182-L223 HydrophobicContact CE1-CD2 3.87Å; F182-L223 HydrophobicContact CE1-CG 3.99Å; F182-L223 HydrophobicContact CZ-CG 4.37Å; I186-L223 HydrophobicContact CD1-CD1 4.3Å; I186-L223 HydrophobicContact CD1-CD2 3.96Å; I186-L223 HydrophobicContact CD1-CG 4.27Å; I219-L223 HydrophobicContact CG2-CD1 4.16Å; I219-L223 WeakPolarHBondContact O-CG 3.41Å; I219-L223 PolarHBondContact O-N 2.81Å; I220-L223 PolarHBondContact O-N 2.91Å; L223-R225 PolarHBondContact O-N 3.39Å; L223-L226 PolarHBondContact O-N 3.11Å; L223-C227 WeakPolarHBondContact O-CB 3.17Å; L223-C227 PolarHBondContact O-N 2.67Å; L223-L231 HydrophobicContact CB-CD1 4.48Å; L223-L231 HydrophobicContact CB-CD2 4.25Å; L223-I239 HydrophobicContact CD1-CD1 3.53Å
224	R	92.5	Very high	90.4	Very high	115 Å²	115	42.1 Å²	42.1	43%	0.434	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-31.3	175	-75.4	175.9	178.1	163.5	-1.2	112.9	R151 R157 I220 G221 C222 L231	R151-R224 PolarHBondContact NH1-O 2.7Å; R157-R224 PolarHBondContact NH1-O 3.08Å; I220-R224 WeakPolarHBondContact O-CB 3.29Å; I220-R224 WeakPolarHBondContact O-CG 3.48Å; I220-R224 PolarHBondContact O-N 2.85Å; G221-R224 PolarHBondContact O-N 2.96Å; C222-R224 VanDerWaalsContact C-N 3.34Å; C222-R224 PolarHBondContact O-N 3Å; R224-L231 HydrophobicContact CG-CB 4.34Å; R224-L231 HydrophobicContact CG-CD2 4.2Å
225	R	90.2	Very high	90.6	Very high	107 Å²	107	40.2 Å²	40.2	40%	0.404	20%	0.2	S	C	.	.	H	α-helix	trans	-81.2	-24.2	178.5	-175.7	173.7	-95.2	114.5	-5.3	112.9	R157 G221 C222 L223	R157-R225 PolarHBondContact NH1-O 3.38Å; G221-R225 PolarHBondContact O-N 3.36Å; G221-R225 VanDerWaalsContact O-N 3.08Å; C222-R225 CarbonylContact O-C 3.52Å; C222-R225 WeakPolarHBondContact O-CA 3.33Å; C222-R225 PolarHBondContact O-N 3.34Å; L223-R225 PolarHBondContact O-N 3.39Å
226	L	92.8	Very high	90.6	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-101.9	-18.4	-179.5	-64.7	174.6	0	0	0	114.5	R157 P158 L159 L175 A179 F182 C222 L223	R157-L226 WeakPolarHBondContact CB-O 3.44Å; P158-L226 WeakPolarHBondContact CD-O 3.49Å; P158-L226 HydrophobicContact CG-CD2 4.14Å; L159-L226 WeakPolarHBondContact CB-O 3.37Å; L159-L226 HydrophobicContact CD1-CB 3.53Å; L159-L226 HydrophobicContact CD1-CD1 4.17Å; L159-L226 HydrophobicContact CG-CB 3.89Å; L159-L226 PolarHBondContact N-O 2.96Å; L159-L226 VanDerWaalsContact N-O 3.11Å; L175-L226 HydrophobicContact CD1-CD2 4.43Å; A179-L226 HydrophobicContact CB-CD1 3.91Å; A179-L226 HydrophobicContact CB-CD2 4.49Å; F182-L226 HydrophobicContact CD1-CD1 4.31Å; C222-L226 PolarHBondContact O-N 3.38Å; L223-L226 PolarHBondContact O-N 3.11Å
227	C	92.7	Very high	90.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-78.7	129.5	-177.1	-164.5	0	0	0	0	112.8	R157 I161 L223 T229	R157-C227 VanDerWaalsContact CD-O 3.29Å; R157-C227 WeakPolarHBondContact CD-O 3.05Å; R157-C227 PolarHBondContact NH1-O 3.41Å; I161-C227 HydrophobicContact CD1-CB 4.06Å; L223-C227 WeakPolarHBondContact O-CB 3.17Å; L223-C227 PolarHBondContact O-N 2.67Å; C227-T229 VanDerWaalsContact C-N 3.27Å; C227-T229 WeakPolarHBondContact CB-O 3.46Å; C227-T229 PolarHBondContact O-N 3.43Å; C227-T229 PolarHBondContact SG-O 3.09Å; C227-T229 PolarHBondContact SG-OG1 3.29Å
228	K	92.8	Very high	90.4	Very high	17 Å²	17	32 Å²	32	7%	0.074	16%	0.163	C	C	.	.	S	Bend	trans	-65.7	-28.3	173.8	-71.9	-165.1	178.3	-173.7	0	113.2	L150 R151 H154 R157 L159 W160 E170	L150-K228 HydrophobicContact CD1-CB 4.29Å; R151-K228 WeakPolarHBondContact CB-O 3.46Å; R151-K228 WeakPolarHBondContact CG-O 3.41Å; R151-K228 PolarHBondContact N-O 3.11Å; H154-K228 HydrophobicContact CB-CB 4.07Å; H154-K228 HydrophobicContact CB-CD 4.3Å; H154-K228 HydrophobicContact CB-CG 4.22Å; H154-K228 WeakPolarHBondContact O-CD 3.49Å; H154-K228 WeakPolarHBondContact O-CE 3.37Å; H154-K228 WeakPolarHBondContact O-CG 3.1Å; R157-K228 HydrophobicContact CB-CG 3.8Å; R157-K228 WeakPolarHBondContact O-CE 3.31Å; R157-K228 VanDerWaalsContact O-CG 3.24Å; R157-K228 WeakPolarHBondContact O-CG 3.46Å; L159-K228 WeakPolarHBondContact O-CB 3.1Å; L159-K228 WeakPolarHBondContact O-CG 3.43Å; L159-K228 PolarHBondContact O-N 3.49Å; W160-K228 HydrophobicContact CZ2-CD 4.16Å; E170-K228 WeakPolarHBondContact OE1-CE 3.4Å; E170-K228 IonicContact OE1-NZ 3.43Å; E170-K228 PolarHBondContact OE1-NZ 3.19Å; E170-K228 VanDerWaalsContact OE2-CE 3.28Å; E170-K228 WeakPolarHBondContact OE2-CE 3.45Å; E170-K228 IonicContact OE2-NZ 2.7Å; E170-K228 PolarHBondContact OE2-NZ 3.05Å
229	T	90.4	Very high	90.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-107.5	163.4	179.1	57.8	0	0	0	0	109.9	L148 K149 L150 W160 C227 L231	L148-T229 HydrophobicContact CB-CG2 4.01Å; K149-T229 VanDerWaalsContact O-CA 3.3Å; K149-T229 WeakPolarHBondContact O-CA 3.41Å; L150-T229 HydrophobicContact CD1-CG2 4.26Å; W160-T229 HydrophobicContact CE3-CG2 3.97Å; W160-T229 HydrophobicContact CZ3-CG2 3.92Å; C227-T229 VanDerWaalsContact C-N 3.27Å; C227-T229 WeakPolarHBondContact CB-O 3.46Å; C227-T229 PolarHBondContact O-N 3.43Å; C227-T229 PolarHBondContact SG-O 3.09Å; C227-T229 PolarHBondContact SG-OG1 3.29Å; T229-L231 PolarHBondContact O-N 2.87Å
230	N	87.3	Confident	90.3	Very high	86 Å²	86	33.7 Å²	33.7	46%	0.46	17%	0.166	S	C	.	.	P	Polyproline II helix	trans	-64	132.3	167.7	-70.9	-24.1	0	0	0	109.6	K149 P232	K149-N230 PolarHBondContact O-N 3.17Å; N230-P232 WeakPolarHBondContact O-CD 3.36Å
231	L	88.4	Confident	89.9	Confident	24 Å²	24	35.3 Å²	35.3	13%	0.126	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-62.8	124.3	-179.1	-173.5	66.4	0	0	0	109.6	I161 I220 L223 R224 T229 I235 V236	I161-L231 HydrophobicContact CB-CD1 4.45Å; I161-L231 HydrophobicContact CD1-CD1 3.54Å; I161-L231 HydrophobicContact CG2-CD1 4.19Å; I220-L231 HydrophobicContact CG2-CD2 4.4Å; L223-L231 HydrophobicContact CB-CD1 4.48Å; L223-L231 HydrophobicContact CB-CD2 4.25Å; R224-L231 HydrophobicContact CG-CB 4.34Å; R224-L231 HydrophobicContact CG-CD2 4.2Å; T229-L231 PolarHBondContact O-N 2.87Å; L231-I235 HydrophobicContact CD1-CB 4.34Å; L231-I235 HydrophobicContact CD1-CG2 3.94Å; L231-I235 HydrophobicContact CG-CG2 4.47Å; L231-V236 HydrophobicContact CD2-CG2 3.53Å; L231-V236 HydrophobicContact CG-CG2 3.95Å
232	P	87.1	Confident	89.6	Confident	16 Å²	16	34 Å²	34	10%	0.104	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-59.4	139.1	179	-25.2	34.7	0	0	0	112.2	L148 N230 G234 I235 V236	L148-P232 HydrophobicContact CD2-CG 3.77Å; N230-P232 WeakPolarHBondContact O-CD 3.36Å; P232-G234 PolarHBondContact O-N 3.15Å; P232-I235 HydrophobicContact CB-CG1 4.18Å; P232-I235 HydrophobicContact CG-CG1 4.37Å; P232-I235 PolarHBondContact O-N 3.44Å; P232-I235 VanDerWaalsContact O-N 3.08Å; P232-V236 PolarHBondContact O-N 3.12Å
233	E	85.5	Confident	89.2	Confident	112 Å²	112	33 Å²	33	52%	0.523	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-33.5	-179.6	-66.6	-175.4	169.2	0	0	112.6	I235 V236 A237	E233-I235 VanDerWaalsContact C-N 3.31Å; E233-I235 PolarHBondContact O-N 3.36Å; E233-V236 PolarHBondContact O-N 3.22Å; E233-A237 WeakPolarHBondContact O-CB 3.18Å; E233-A237 PolarHBondContact O-N 2.65Å
234	G	85.9	Confident	88.8	Confident	8 Å²	8	37.6 Å²	37.6	8%	0.082	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-40.3	174.8	0	0	0	0	0	113	P232 A237 Y238	P232-G234 PolarHBondContact O-N 3.15Å; G234-A237 PolarHBondContact O-N 3.47Å; G234-Y238 WeakPolarHBondContact O-CB 3.38Å; G234-Y238 PolarHBondContact O-N 3.07Å
235	I	89	Confident	88.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.2	-40.6	176.7	-62.4	-69.4	0	0	0	110.7	V106 I161 L201 L231 P232 E233 Y238 I239	V106-I235 HydrophobicContact CG1-CD1 3.65Å; V106-I235 HydrophobicContact CG1-CG1 4.41Å; V106-I235 HydrophobicContact CG2-CD1 4.48Å; I161-I235 HydrophobicContact CG2-CG1 4.22Å; L201-I235 HydrophobicContact CD1-CD1 4.48Å; L201-I235 HydrophobicContact CD1-CG2 3.96Å; L231-I235 HydrophobicContact CD1-CB 4.34Å; L231-I235 HydrophobicContact CD1-CG2 3.94Å; L231-I235 HydrophobicContact CG-CG2 4.47Å; P232-I235 HydrophobicContact CB-CG1 4.18Å; P232-I235 HydrophobicContact CG-CG1 4.37Å; P232-I235 PolarHBondContact O-N 3.44Å; P232-I235 VanDerWaalsContact O-N 3.08Å; E233-I235 VanDerWaalsContact C-N 3.31Å; E233-I235 PolarHBondContact O-N 3.36Å; I235-Y238 PolarHBondContact O-N 3.2Å; I235-I239 HydrophobicContact CG2-CD1 3.78Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 VanDerWaalsContact O-CG1 3.28Å; I235-I239 WeakPolarHBondContact O-CG1 3.3Å; I235-I239 PolarHBondContact O-N 3.29Å
236	V	91	Very high	87.7	Confident	15 Å²	15	29 Å²	29	9%	0.091	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-46.7	176.5	177.7	0	0	0	0	111.1	I220 L231 P232 E233 Y238 I239 R240	I220-V236 HydrophobicContact CD1-CG1 4.19Å; L231-V236 HydrophobicContact CD2-CG2 3.53Å; L231-V236 HydrophobicContact CG-CG2 3.95Å; P232-V236 PolarHBondContact O-N 3.12Å; E233-V236 PolarHBondContact O-N 3.22Å; V236-Y238 VanDerWaalsContact C-N 3.31Å; V236-Y238 PolarHBondContact O-N 2.96Å; V236-I239 PolarHBondContact O-N 2.82Å; V236-R240 WeakPolarHBondContact O-CG 3.45Å; V236-R240 PolarHBondContact O-N 3.14Å
237	A	88.2	Confident	86.9	Confident	23 Å²	23	29.7 Å²	29.7	19%	0.19	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-41.2	177.1	0	0	0	0	0	111.3	R109 E233 G234 S241	R109-A237 HydrophobicContact CB-CB 4.39Å; E233-A237 WeakPolarHBondContact O-CB 3.18Å; E233-A237 PolarHBondContact O-N 2.65Å; G234-A237 PolarHBondContact O-N 3.47Å; A237-S241 WeakPolarHBondContact O-CB 3.45Å; A237-S241 PolarHBondContact O-N 2.87Å; A237-S241 VanDerWaalsContact O-N 3.09Å
238	Y	88.4	Confident	86.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.1	-52.3	176.5	179.1	-111.9	0	0	0	112.1	D102 R105 V106 R109 S203 L206 G234 I235 V236 R240 S241 C242	D102-Y238 PolarHBondContact OD1-OH 3.47Å; D102-Y238 VanDerWaalsContact OD1-OH 3.11Å; R105-Y238 HydrophobicContact CB-CD2 4.27Å; R105-Y238 HydrophobicContact CB-CE2 3.84Å; V106-Y238 HydrophobicContact CG2-CD1 3.79Å; V106-Y238 HydrophobicContact CG2-CD2 3.95Å; V106-Y238 HydrophobicContact CG2-CE1 4.04Å; V106-Y238 HydrophobicContact CG2-CE2 4.24Å; V106-Y238 HydrophobicContact CG2-CG 3.73Å; R109-Y238 VanDerWaalsContact NH1-CD2 3.28Å; R109-Y238 PolarHBondContact NH1-O 3.48Å; S203-Y238 WeakPolarHBondContact CA-OH 3.34Å; S203-Y238 WeakPolarHBondContact CB-OH 3.43Å; S203-Y238 PolarHBondContact N-OH 3.37Å; L206-Y238 HydrophobicContact CD1-CD1 4.07Å; L206-Y238 HydrophobicContact CD1-CE1 3.74Å; G234-Y238 WeakPolarHBondContact O-CB 3.38Å; G234-Y238 PolarHBondContact O-N 3.07Å; I235-Y238 PolarHBondContact O-N 3.2Å; V236-Y238 VanDerWaalsContact C-N 3.31Å; V236-Y238 PolarHBondContact O-N 2.96Å; Y238-R240 PolarHBondContact O-N 3.47Å; Y238-S241 PolarHBondContact O-N 3.26Å; Y238-C242 PolarHBondContact O-N 2.98Å; Y238-C242 VanDerWaalsContact O-N 3.14Å
239	I	90.5	Very high	85.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-51.7	178.5	-68.1	167	0	0	0	110.2	L206 I219 I220 L223 I235 V236 S241 C242 T243	L206-I239 HydrophobicContact CD1-CG1 4.11Å; L206-I239 HydrophobicContact CD2-CG1 4.28Å; I219-I239 HydrophobicContact CG2-CD1 4.34Å; I219-I239 HydrophobicContact CG2-CG2 4.13Å; I220-I239 HydrophobicContact CD1-CG2 4.29Å; I220-I239 HydrophobicContact CG1-CG2 4.01Å; L223-I239 HydrophobicContact CD1-CD1 3.53Å; I235-I239 HydrophobicContact CG2-CD1 3.78Å; I235-I239 HydrophobicContact CG2-CG1 4.37Å; I235-I239 VanDerWaalsContact O-CG1 3.28Å; I235-I239 WeakPolarHBondContact O-CG1 3.3Å; I235-I239 PolarHBondContact O-N 3.29Å; V236-I239 PolarHBondContact O-N 2.82Å; I239-S241 VanDerWaalsContact C-N 3.32Å; I239-S241 PolarHBondContact O-N 2.82Å; I239-C242 PolarHBondContact O-N 2.83Å; I239-T243 HydrophobicContact CG2-CG2 3.96Å; I239-T243 WeakPolarHBondContact O-CG2 3.26Å; I239-T243 PolarHBondContact O-N 3.33Å; I239-T243 PolarHBondContact O-OG1 3.19Å
240	R	91.4	Very high	85.7	Confident	107 Å²	107	35.6 Å²	35.6	40%	0.404	19%	0.187	S	C	.	.	H	α-helix	trans	-56.3	-45.1	-178.8	-76	178.1	173.1	174.3	-7.2	112.8	T216 I220 V236 Y238 L244	T216-R240 HydrophobicContact CG2-CG 3.92Å; I220-R240 HydrophobicContact CD1-CG 3.85Å; V236-R240 WeakPolarHBondContact O-CG 3.45Å; V236-R240 PolarHBondContact O-N 3.14Å; Y238-R240 PolarHBondContact O-N 3.47Å; R240-L244 HydrophobicContact CB-CD1 4.4Å; R240-L244 WeakPolarHBondContact O-CB 3.34Å; R240-L244 WeakPolarHBondContact O-CD1 3.18Å; R240-L244 WeakPolarHBondContact O-CG 3.07Å; R240-L244 PolarHBondContact O-N 3.4Å
241	S	85.5	Confident	85.7	Confident	42 Å²	42	32 Å²	32	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-69	-35.5	-177.3	162.3	0	0	0	0	112.4	R109 A237 Y238 I239 S245	R109-S241 VanDerWaalsContact CZ-CB 3.43Å; R109-S241 PolarHBondContact NE-OG 2.92Å; R109-S241 PolarHBondContact NH1-OG 2.94Å; R109-S241 VanDerWaalsContact NH1-OG 3.11Å; R109-S241 PolarHBondContact NH2-OG 2.88Å; A237-S241 WeakPolarHBondContact O-CB 3.45Å; A237-S241 PolarHBondContact O-N 2.87Å; A237-S241 VanDerWaalsContact O-N 3.09Å; Y238-S241 PolarHBondContact O-N 3.26Å; I239-S241 VanDerWaalsContact C-N 3.32Å; I239-S241 PolarHBondContact O-N 2.82Å; S241-S245 WeakPolarHBondContact O-CB 3.47Å; S241-S245 PolarHBondContact O-OG 3.19Å
242	C	85.4	Confident	85.5	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-73.5	-43.9	174.8	-69	0	0	0	0	112.7	R109 L206 Y207 Y238 I239 S245 Y246	R109-C242 PolarHBondContact NH1-SG 3.2Å; L206-C242 HydrophobicContact CB-CB 4.33Å; L206-C242 HydrophobicContact CD1-CB 4.05Å; Y207-C242 HydrophobicContact CE1-CB 3.92Å; Y207-C242 VanDerWaalsContact CE1-O 3.26Å; Y207-C242 WeakPolarHBondContact CE1-O 3.4Å; Y238-C242 PolarHBondContact O-N 2.98Å; Y238-C242 VanDerWaalsContact O-N 3.14Å; I239-C242 PolarHBondContact O-N 2.83Å; C242-S245 PolarHBondContact O-OG 2.94Å; C242-S245 VanDerWaalsContact O-OG 3.11Å; C242-Y246 PolarHBondContact O-N 2.61Å
243	T	86.3	Confident	85.4	Confident	6 Å²	6	32 Å²	32	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-76	-32.9	-173.3	58.3	0	0	0	0	112.7	L206 V210 T216 I219 I239	L206-T243 HydrophobicContact CB-CG2 4.48Å; V210-T243 HydrophobicContact CG2-CG2 3.49Å; V210-T243 VanDerWaalsContact CG2-CG2 3.49Å; T216-T243 WeakPolarHBondContact CB-OG1 3.28Å; T216-T243 WeakPolarHBondContact CG2-OG1 3.48Å; T216-T243 VanDerWaalsContact OG1-CB 3.3Å; T216-T243 WeakPolarHBondContact OG1-CB 3.35Å; T216-T243 PolarHBondContact OG1-OG1 3.43Å; I219-T243 HydrophobicContact CD1-CG2 4.13Å; I239-T243 HydrophobicContact CG2-CG2 3.96Å; I239-T243 WeakPolarHBondContact O-CG2 3.26Å; I239-T243 PolarHBondContact O-N 3.33Å; I239-T243 PolarHBondContact O-OG1 3.19Å
244	L	84.8	Confident	85.1	Confident	96 Å²	96	28.9 Å²	28.9	50%	0.503	15%	0.152	S	C	.	.	H	α-helix	trans	-77.6	-22.1	177.6	-66.2	172.9	0	0	0	113.3	R240 K248	R240-L244 HydrophobicContact CB-CD1 4.4Å; R240-L244 WeakPolarHBondContact O-CB 3.34Å; R240-L244 WeakPolarHBondContact O-CD1 3.18Å; R240-L244 WeakPolarHBondContact O-CG 3.07Å; R240-L244 PolarHBondContact O-N 3.4Å; L244-K248 WeakPolarHBondContact O-CE 3.46Å
245	S	79.8	Confident	84.5	Confident	11 Å²	11	30.5 Å²	30.5	8%	0.077	17%	0.169	C	C	.	.	H	α-helix	trans	-82.6	-21.5	175.6	71.2	0	0	0	0	112.7	S241 C242 K248 E442	S241-S245 WeakPolarHBondContact O-CB 3.47Å; S241-S245 PolarHBondContact O-OG 3.19Å; C242-S245 PolarHBondContact O-OG 2.94Å; C242-S245 VanDerWaalsContact O-OG 3.11Å; S245-K248 WeakPolarHBondContact O-CG 3.27Å; S245-E442 WeakPolarHBondContact CB-O 3.28Å; S245-E442 PolarHBondContact OG-O 3.24Å
246	Y	79.5	Confident	83.9	Confident	30 Å²	30	31.8 Å²	31.8	12%	0.118	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	144.1	-178.8	-171.3	-97.1	0	0	0	112.8	Y207 V210 S211 C242 K248 P444 L446	Y207-Y246 VanDerWaalsContact CB-CD2 3.49Å; Y207-Y246 AromaticContact CD1-CD2 3.58Å; Y207-Y246 HydrophobicContact CD1-CD2 3.58Å; Y207-Y246 HydrophobicContact CD1-CE2 4.46Å; Y207-Y246 HydrophobicContact CD1-CG 4.25Å; Y207-Y246 AromaticContact CG-CD2 3.77Å; Y207-Y246 HydrophobicContact CG-CD2 3.77Å; Y207-Y246 HydrophobicContact CG-CE2 4.22Å; Y207-Y246 WeakPolarHBondContact O-CE2 3.44Å; Y207-Y246 PolarHBondContact O-OH 2.81Å; V210-Y246 HydrophobicContact CB-CD1 3.62Å; V210-Y246 HydrophobicContact CB-CE1 4.1Å; V210-Y246 HydrophobicContact CB-CG 4.11Å; V210-Y246 HydrophobicContact CG1-CD1 3.42Å; V210-Y246 VanDerWaalsContact CG1-CD1 3.42Å; V210-Y246 HydrophobicContact CG1-CE1 4.1Å; V210-Y246 HydrophobicContact CG1-CG 4.15Å; S211-Y246 WeakPolarHBondContact CB-OH 3.4Å; S211-Y246 PolarHBondContact OG-OH 2.83Å; C242-Y246 PolarHBondContact O-N 2.61Å; Y246-K248 PolarHBondContact O-N 3.08Å; Y246-P444 HydrophobicContact CD2-CG 4.02Å; Y246-L446 HydrophobicContact CD2-CD2 4.03Å; Y246-L446 HydrophobicContact CE1-CD1 4Å; Y246-L446 HydrophobicContact CE1-CD2 3.83Å; Y246-L446 HydrophobicContact CE2-CD2 3.25Å; Y246-L446 WeakPolarHBondContact OH-CD2 3.43Å
247	G	74.8	Confident	83.6	Confident	28 Å²	28	36.2 Å²	36.2	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	0.7	174.7	0	0	0	0	0	116.1	A249	G247-A249 PolarHBondContact O-N 3.35Å
248	K	80	Confident	83.5	Confident	76 Å²	76	36 Å²	36	33%	0.33	19%	0.191	S	C	.	.	S	Bend	trans	-64.1	-27.6	174.2	-71.3	-176.1	176.3	175.2	0	113.2	L244 S245 Y246 S262 F267 V443	L244-K248 WeakPolarHBondContact O-CE 3.46Å; S245-K248 WeakPolarHBondContact O-CG 3.27Å; Y246-K248 PolarHBondContact O-N 3.08Å; K248-S262 WeakPolarHBondContact O-CB 3.45Å; K248-S262 PolarHBondContact O-OG 3.5Å; K248-F267 HydrophobicContact CB-CD1 4.36Å; K248-F267 HydrophobicContact CB-CG 4.5Å; K248-F267 HydrophobicContact CD-CD2 4.47Å; K248-V443 HydrophobicContact CB-CG1 4.03Å
249	A	85	Confident	83.5	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.			trans	-140.1	146.5	177.7	0	0	0	0	0	112.8	G247 V260 E261 F267 L445 L446	G247-A249 PolarHBondContact O-N 3.35Å; A249-V260 HydrophobicContact CB-CG1 4.07Å; A249-E261 CarbonylContact C-O 3.46Å; A249-E261 WeakPolarHBondContact CA-O 2.74Å; A249-F267 HydrophobicContact CB-CD1 4.39Å; A249-F267 HydrophobicContact CB-CE1 3.66Å; A249-F267 HydrophobicContact CB-CZ 4.5Å; A249-L445 HydrophobicContact CB-CD2 3.72Å; A249-L446 PolarHBondContact O-N 2.97Å; A249-L446 VanDerWaalsContact O-N 3.08Å
250	K	85.6	Confident	83.4	Confident	67 Å²	67	36.1 Å²	36.1	29%	0.291	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.4	179	-52.7	-168.5	179.1	-170.8	0	109.6	V252 V260 E261 L446 E448	K250-V252 HydrophobicContact CB-CG2 4.15Å; K250-V260 CarbonylContact O-C 3.51Å; K250-V260 VanDerWaalsContact O-CA 3.3Å; K250-V260 WeakPolarHBondContact O-CA 3.28Å; K250-E261 PolarHBondContact N-O 3.47Å; K250-E261 PolarHBondContact O-N 2.94Å; K250-L446 CarbonylContact C-O 3.56Å; K250-L446 VanDerWaalsContact CA-O 3.31Å; K250-L446 WeakPolarHBondContact CA-O 3.47Å; K250-L446 HydrophobicContact CB-CB 4.45Å; K250-L446 HydrophobicContact CG-CB 4.18Å; K250-E448 IonicContact NZ-OE2 3.73Å
251	L	87.4	Confident	83.3	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.1	169.5	179.9	67.7	0	0	0	108.2	Y258 F259 V260 I431 Q435 L445 L446 T447	L251-Y258 HydrophobicContact CD1-CD1 4.22Å; L251-Y258 HydrophobicContact CG-CD1 4.32Å; L251-F259 WeakPolarHBondContact CA-O 3.34Å; L251-V260 HydrophobicContact CD1-CG2 4.21Å; L251-I431 HydrophobicContact CD2-CG2 4.03Å; L251-Q435 HydrophobicContact CD2-CG 4.44Å; L251-L445 HydrophobicContact CB-CB 4.08Å; L251-L445 HydrophobicContact CB-CD1 4.34Å; L251-L446 PolarHBondContact N-O 2.78Å; L251-T447 HydrophobicContact CB-CG2 4.06Å; L251-T447 HydrophobicContact CD2-CG2 4.07Å; L251-T447 HydrophobicContact CG-CG2 4.45Å
252	V	85.6	Confident	83.3	Confident	29 Å²	29	30.1 Å²	30.1	18%	0.176	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.7	-174.3	-170.3	0	0	0	0	109.7	K250 K254 Y258 F259 E261	K250-V252 HydrophobicContact CB-CG2 4.15Å; V252-K254 HydrophobicContact CG1-CD 4.37Å; V252-K254 HydrophobicContact CG1-CG 4.03Å; V252-Y258 CarbonylContact O-C 3.58Å; V252-Y258 WeakPolarHBondContact O-CA 3.42Å; V252-F259 PolarHBondContact N-O 2.94Å; V252-F259 PolarHBondContact O-N 3.35Å; V252-E261 HydrophobicContact CB-CG 4.4Å; V252-E261 HydrophobicContact CG2-CB 4.4Å; V252-E261 HydrophobicContact CG2-CG 3.97Å
253	L	84.3	Confident	83.2	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.1	172.9	176.4	64	0	0	0	108.5	Y258 Q614 H616	L253-Y258 HydrophobicContact CB-CD1 4.23Å; L253-Y258 HydrophobicContact CB-CE1 4.01Å; L253-Y258 HydrophobicContact CD1-CD1 4.21Å; L253-Y258 HydrophobicContact CD1-CD2 3.93Å; L253-Y258 HydrophobicContact CD1-CE1 4.04Å; L253-Y258 HydrophobicContact CD1-CE2 3.76Å; L253-Y258 HydrophobicContact CD1-CG 4.17Å; L253-Y258 HydrophobicContact CG-CE1 4.42Å; L253-Q614 HydrophobicContact CD2-CB 4.11Å; L253-H616 PolarHBondContact O-CE1 3.19Å; L253-H616 PolarHBondContact O-ND1 3.04Å
254	K	80	Confident	83	Confident	48 Å²	48	38 Å²	38	21%	0.209	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	116.6	178.2	-70.5	178.2	174.1	168	0	110.3	V252 G256 R257 F259 E261 A306 L309	V252-K254 HydrophobicContact CG1-CD 4.37Å; V252-K254 HydrophobicContact CG1-CG 4.03Å; K254-G256 PolarHBondContact O-N 3.05Å; K254-R257 PolarHBondContact N-O 3.11Å; K254-R257 PolarHBondContact O-N 3.01Å; K254-F259 HydrophobicContact CB-CD2 4.15Å; K254-F259 HydrophobicContact CB-CE2 4.07Å; K254-E261 WeakPolarHBondContact CE-OE1 3.15Å; K254-E261 IonicContact NZ-OE1 3.95Å; K254-E261 PolarHBondContact NZ-OE1 2.94Å; K254-E261 IonicContact NZ-OE2 3.97Å; K254-A306 PolarHBondContact NZ-O 3.08Å; K254-L309 HydrophobicContact CD-CB 3.95Å
255	G	73.3	Confident	82.8	Confident	41 Å²	41	37.4 Å²	37.4	42%	0.423	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	43.4	172.4	0	0	0	0	0	113.3	R257 E589	G255-R257 VanDerWaalsContact C-N 3.26Å; G255-R257 PolarHBondContact O-N 2.92Å; G255-E589 PolarHBondContact N-OE1 2.99Å
256	G	76	Confident	82.8	Confident	27 Å²	27	43.3 Å²	43.3	28%	0.278	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	4.9	180	0	0	0	0	0	114.6	K254 E589 Q614	K254-G256 PolarHBondContact O-N 3.05Å; G256-E589 VanDerWaalsContact CA-OE1 3.31Å; G256-E589 WeakPolarHBondContact CA-OE1 3.32Å; G256-E589 PolarHBondContact N-OE1 2.74Å; G256-Q614 PolarHBondContact O-NE2 3.32Å
257	R	83.2	Confident	83	Confident	109 Å²	109	43 Å²	43	41%	0.411	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.2	-174.1	-66.3	-177.3	-73.2	169.2	-2.9	111.9	K254 G255 F259 E425	K254-R257 PolarHBondContact N-O 3.11Å; K254-R257 PolarHBondContact O-N 3.01Å; G255-R257 VanDerWaalsContact C-N 3.26Å; G255-R257 PolarHBondContact O-N 2.92Å; R257-F259 HydrophobicContact CB-CE2 3.67Å; R257-F259 HydrophobicContact CB-CZ 3.97Å; R257-F259 WeakPolarHBondContact O-CD2 3.37Å; R257-E425 WeakPolarHBondContact CD-OE1 3.16Å; R257-E425 IonicContact NH1-OE1 3.09Å; R257-E425 IonicContact NH1-OE2 2.86Å
258	Y	86.3	Confident	83.4	Confident	18 Å²	18	41.8 Å²	41.8	7%	0.071	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.1	179.9	-74.6	-87.8	0	0	0	111.2	L251 V252 L253 V426 Q428 I431 Q614	L251-Y258 HydrophobicContact CD1-CD1 4.22Å; L251-Y258 HydrophobicContact CG-CD1 4.32Å; V252-Y258 CarbonylContact O-C 3.58Å; V252-Y258 WeakPolarHBondContact O-CA 3.42Å; L253-Y258 HydrophobicContact CB-CD1 4.23Å; L253-Y258 HydrophobicContact CB-CE1 4.01Å; L253-Y258 HydrophobicContact CD1-CD1 4.21Å; L253-Y258 HydrophobicContact CD1-CD2 3.93Å; L253-Y258 HydrophobicContact CD1-CE1 4.04Å; L253-Y258 HydrophobicContact CD1-CE2 3.76Å; L253-Y258 HydrophobicContact CD1-CG 4.17Å; L253-Y258 HydrophobicContact CG-CE1 4.42Å; Y258-V426 PolarHBondContact O-N 2.82Å; Y258-Q428 HydrophobicContact CD2-CB 4.32Å; Y258-Q428 HydrophobicContact CD2-CG 4.32Å; Y258-Q428 HydrophobicContact CE2-CG 4.01Å; Y258-I431 HydrophobicContact CD1-CD1 3.74Å; Y258-I431 HydrophobicContact CD2-CD1 3.35Å; Y258-I431 HydrophobicContact CE1-CD1 3.87Å; Y258-I431 HydrophobicContact CE2-CD1 3.48Å; Y258-I431 VanDerWaalsContact CE2-CD1 3.48Å; Y258-I431 HydrophobicContact CG-CD1 3.46Å; Y258-I431 VanDerWaalsContact CG-CD1 3.46Å; Y258-I431 HydrophobicContact CG-CG1 4.43Å; Y258-Q614 HydrophobicContact CE2-CG 4.36Å
259	F	88.7	Confident	83.5	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	140.1	179.8	-62.6	-87.3	0	0	0	111.2	L251 V252 K254 R257 E261 Y304 L309 A423 L424 E425	L251-F259 WeakPolarHBondContact CA-O 3.34Å; V252-F259 PolarHBondContact N-O 2.94Å; V252-F259 PolarHBondContact O-N 3.35Å; K254-F259 HydrophobicContact CB-CD2 4.15Å; K254-F259 HydrophobicContact CB-CE2 4.07Å; R257-F259 HydrophobicContact CB-CE2 3.67Å; R257-F259 HydrophobicContact CB-CZ 3.97Å; R257-F259 WeakPolarHBondContact O-CD2 3.37Å; F259-E261 HydrophobicContact CB-CG 4.49Å; F259-Y304 HydrophobicContact CD1-CD2 4.44Å; F259-Y304 HydrophobicContact CE1-CD2 4.04Å; F259-Y304 HydrophobicContact CE1-CE2 4.12Å; F259-L309 HydrophobicContact CD1-CD1 3.75Å; F259-L309 HydrophobicContact CD2-CD1 4.23Å; F259-L309 HydrophobicContact CE1-CD1 3.73Å; F259-L309 HydrophobicContact CE1-CD2 4.15Å; F259-L309 HydrophobicContact CE2-CD1 4.22Å; F259-L309 HydrophobicContact CG-CD1 4.01Å; F259-L309 HydrophobicContact CZ-CD1 3.98Å; F259-L309 HydrophobicContact CZ-CD2 4.06Å; F259-A423 HydrophobicContact CB-CB 4.29Å; F259-A423 HydrophobicContact CD1-CB 4.28Å; F259-L424 CarbonylContact C-O 3.48Å; F259-L424 WeakPolarHBondContact CA-O 3.03Å; F259-E425 HydrophobicContact CD1-CB 3.94Å; F259-E425 HydrophobicContact CD1-CG 4.3Å; F259-E425 HydrophobicContact CE1-CB 3.7Å; F259-E425 HydrophobicContact CE1-CG 3.8Å; F259-E425 HydrophobicContact CZ-CG 4.23Å
260	V	89.1	Confident	83.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113	165.5	176	0	0	0	0	108.4	A249 K250 L251 L268 L271 A423 L424 V426 L434 L445	A249-V260 HydrophobicContact CB-CG1 4.07Å; K250-V260 CarbonylContact O-C 3.51Å; K250-V260 VanDerWaalsContact O-CA 3.3Å; K250-V260 WeakPolarHBondContact O-CA 3.28Å; L251-V260 HydrophobicContact CD1-CG2 4.21Å; V260-L268 HydrophobicContact CG1-CD2 4.13Å; V260-L271 HydrophobicContact CG1-CD2 4.09Å; V260-A423 CarbonylContact O-C 3.55Å; V260-A423 WeakPolarHBondContact O-CA 3.43Å; V260-L424 PolarHBondContact N-O 2.92Å; V260-L424 PolarHBondContact O-N 3.44Å; V260-V426 HydrophobicContact CG2-CG2 3.74Å; V260-L434 HydrophobicContact CG2-CD2 3.91Å; V260-L445 HydrophobicContact CG1-CD2 3.93Å; V260-L445 HydrophobicContact CG2-CD1 4.23Å; V260-L445 HydrophobicContact CG2-CD2 4.28Å
261	E	88.3	Confident	83.3	Confident	22 Å²	22	44 Å²	44	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	137.1	-179.2	-61.8	-170.6	170.9	0	0	111.3	A249 K250 V252 K254 F259 A306 V421 L422 A423	A249-E261 CarbonylContact C-O 3.46Å; A249-E261 WeakPolarHBondContact CA-O 2.74Å; K250-E261 PolarHBondContact N-O 3.47Å; K250-E261 PolarHBondContact O-N 2.94Å; V252-E261 HydrophobicContact CB-CG 4.4Å; V252-E261 HydrophobicContact CG2-CB 4.4Å; V252-E261 HydrophobicContact CG2-CG 3.97Å; K254-E261 WeakPolarHBondContact CE-OE1 3.15Å; K254-E261 IonicContact NZ-OE1 3.95Å; K254-E261 PolarHBondContact NZ-OE1 2.94Å; K254-E261 IonicContact NZ-OE2 3.97Å; F259-E261 HydrophobicContact CB-CG 4.49Å; E261-A306 HydrophobicContact CG-CB 4.3Å; E261-V421 HydrophobicContact CB-CG1 3.97Å; E261-L422 CarbonylContact C-O 3.59Å; E261-L422 VanDerWaalsContact CA-O 3.28Å; E261-L422 WeakPolarHBondContact CA-O 3.46Å; E261-A423 HydrophobicContact CG-CB 3.99Å
262	S	86.5	Confident	83.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.5	172.1	-177.2	0	0	0	0	111.2	K248 H264 L422	K248-S262 WeakPolarHBondContact O-CB 3.45Å; K248-S262 PolarHBondContact O-OG 3.5Å; S262-H264 VanDerWaalsContact C-N 3.26Å; S262-H264 PolarHBondContact OG-N 3.17Å; S262-L422 PolarHBondContact N-O 3.38Å; S262-L422 PolarHBondContact O-N 3.15Å
263	P	82.9	Confident	83.1	Confident	76 Å²	76	45.7 Å²	45.7	49%	0.494	23%	0.231	S	C	.	.	S	Bend	trans	-74.9	-16.3	167.2	31.8	-33.9	0	0	0	112.5
264	H	83.2	Confident	83.2	Confident	97 Å²	97	46.6 Å²	46.6	45%	0.449	24%	0.236	S	C	.	.			trans	-96.5	100.4	-174	-58.3	-68.5	0	0	0	111.3	S262 Q266 F267 L268	S262-H264 VanDerWaalsContact C-N 3.26Å; S262-H264 PolarHBondContact OG-N 3.17Å; H264-Q266 PolarHBondContact O-N 3.36Å; H264-F267 HydrophobicContact CB-CB 3.82Å; H264-F267 WeakPolarHBondContact O-CB 3.32Å; H264-F267 PolarHBondContact O-N 3.46Å; H264-L268 PolarHBondContact O-N 3.2Å
265	R	80.2	Confident	83.5	Confident	83 Å²	83	52.2 Å²	52.2	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-56.1	-49	-178.2	-52.7	-175.2	74.2	167.6	4.5	112.3	F267 L268 H269 L422	R265-F267 PolarHBondContact O-N 3.24Å; R265-L268 PolarHBondContact O-N 3Å; R265-L268 VanDerWaalsContact O-N 3.14Å; R265-H269 PolarHBondContact O-CD2 3.37Å; R265-H269 VanDerWaalsContact O-CD2 3.23Å; R265-H269 PolarHBondContact O-N 3.04Å; R265-L422 HydrophobicContact CB-CD1 4.17Å; R265-L422 HydrophobicContact CG-CD1 3.64Å
266	Q	79.6	Confident	84.1	Confident	136 Å²	136	52.4 Å²	52.4	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-59.4	-36.7	-178.3	-171.3	62.4	11.3	0	0	112.4	H264 H269 Q270	H264-Q266 PolarHBondContact O-N 3.36Å; Q266-H269 PolarHBondContact O-N 2.98Å; Q266-Q270 PolarHBondContact O-N 3.12Å
267	F	83.4	Confident	84.6	Confident	24 Å²	24	51.2 Å²	51.2	11%	0.105	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-44.7	177.5	175.3	-99.9	0	0	0	111.6	K248 A249 H264 R265 H269 Q270 L271 V443	K248-F267 HydrophobicContact CB-CD1 4.36Å; K248-F267 HydrophobicContact CB-CG 4.5Å; K248-F267 HydrophobicContact CD-CD2 4.47Å; A249-F267 HydrophobicContact CB-CD1 4.39Å; A249-F267 HydrophobicContact CB-CE1 3.66Å; A249-F267 HydrophobicContact CB-CZ 4.5Å; H264-F267 HydrophobicContact CB-CB 3.82Å; H264-F267 WeakPolarHBondContact O-CB 3.32Å; H264-F267 PolarHBondContact O-N 3.46Å; R265-F267 PolarHBondContact O-N 3.24Å; F267-H269 VanDerWaalsContact C-N 3.33Å; F267-H269 PolarHBondContact O-N 3.28Å; F267-Q270 PolarHBondContact O-N 3.22Å; F267-L271 HydrophobicContact CE1-CB 4.43Å; F267-L271 HydrophobicContact CE1-CD2 4.06Å; F267-L271 HydrophobicContact CZ-CB 4.35Å; F267-L271 HydrophobicContact CZ-CD1 4.37Å; F267-L271 HydrophobicContact CZ-CD2 4.27Å; F267-L271 WeakPolarHBondContact O-CB 3.48Å; F267-L271 PolarHBondContact O-N 3.34Å; F267-V443 HydrophobicContact CE1-CG1 4.01Å; F267-V443 HydrophobicContact CE2-CB 3.92Å; F267-V443 HydrophobicContact CE2-CG1 3.66Å; F267-V443 HydrophobicContact CE2-CG2 3.65Å; F267-V443 HydrophobicContact CZ-CB 3.74Å; F267-V443 HydrophobicContact CZ-CG1 3.26Å; F267-V443 HydrophobicContact CZ-CG2 4.04Å
268	L	83	Confident	84.6	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-37.6	175.9	-70	177.2	0	0	0	112.5	V260 H264 R265 L271 A272 L303 L422 L424	V260-L268 HydrophobicContact CG1-CD2 4.13Å; H264-L268 PolarHBondContact O-N 3.2Å; R265-L268 PolarHBondContact O-N 3Å; R265-L268 VanDerWaalsContact O-N 3.14Å; L268-L271 PolarHBondContact O-N 3.07Å; L268-A272 VanDerWaalsContact O-CB 3.3Å; L268-A272 WeakPolarHBondContact O-CB 3.41Å; L268-A272 PolarHBondContact O-N 3.07Å; L268-L303 HydrophobicContact CD1-CD2 4.35Å; L268-L422 HydrophobicContact CD1-CB 3.55Å; L268-L424 HydrophobicContact CB-CD1 4.35Å; L268-L424 HydrophobicContact CD2-CD1 4.01Å
269	H	81.2	Confident	84.6	Confident	54 Å²	54	54.4 Å²	54.4	25%	0.25	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-45.4	173.2	-82.7	-80	0	0	0	111.5	R265 Q266 F267 A272 N273 L406	R265-H269 PolarHBondContact O-CD2 3.37Å; R265-H269 VanDerWaalsContact O-CD2 3.23Å; R265-H269 PolarHBondContact O-N 3.04Å; Q266-H269 PolarHBondContact O-N 2.98Å; F267-H269 VanDerWaalsContact C-N 3.33Å; F267-H269 PolarHBondContact O-N 3.28Å; H269-A272 PolarHBondContact O-N 3.44Å; H269-N273 VanDerWaalsContact O-CG 3.29Å; H269-N273 PolarHBondContact O-N 2.75Å; H269-N273 VanDerWaalsContact O-N 3.17Å; H269-N273 PolarHBondContact O-ND2 2.84Å; H269-L406 HydrophobicContact CB-CD1 4.48Å; H269-L406 VanDerWaalsContact CE1-CD1 3.42Å; H269-L406 WeakPolarHBondContact CE1-CD1 3.43Å; H269-L406 WeakPolarHBondContact ND1-CD1 3.37Å
270	Q	83.4	Confident	84.4	Confident	128 Å²	128	54.4 Å²	54.4	60%	0.598	26%	0.261	S	S	*	.	H	α-helix	trans	-62.3	-42.9	175.9	-174.7	178.9	7.6	0	0	111.8	Q266 F267 N273 D274	Q266-Q270 PolarHBondContact O-N 3.12Å; F267-Q270 PolarHBondContact O-N 3.22Å; Q270-N273 PolarHBondContact O-N 3.41Å; Q270-D274 PolarHBondContact O-N 3.25Å
271	L	84.3	Confident	84.3	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-41.8	-179.9	-171.8	67	0	0	0	111.9	V260 F267 L268 N273 D274 V277 L441	V260-L271 HydrophobicContact CG1-CD2 4.09Å; F267-L271 HydrophobicContact CE1-CB 4.43Å; F267-L271 HydrophobicContact CE1-CD2 4.06Å; F267-L271 HydrophobicContact CZ-CB 4.35Å; F267-L271 HydrophobicContact CZ-CD1 4.37Å; F267-L271 HydrophobicContact CZ-CD2 4.27Å; F267-L271 WeakPolarHBondContact O-CB 3.48Å; F267-L271 PolarHBondContact O-N 3.34Å; L268-L271 PolarHBondContact O-N 3.07Å; L271-N273 VanDerWaalsContact C-N 3.27Å; L271-N273 PolarHBondContact O-N 2.89Å; L271-D274 PolarHBondContact O-N 2.61Å; L271-V277 HydrophobicContact CD1-CG1 4.47Å; L271-V277 HydrophobicContact CD1-CG2 3.96Å; L271-V277 HydrophobicContact CG-CG1 4.11Å; L271-V277 HydrophobicContact CG-CG2 4.48Å; L271-V277 WeakPolarHBondContact O-CB 3.4Å; L271-V277 WeakPolarHBondContact O-CG1 3.33Å; L271-L441 HydrophobicContact CD1-CD1 4.14Å
272	A	84.1	Confident	84	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-22.7	178.1	0	0	0	0	0	113.7	L268 H269 L281 L406 L424	L268-A272 VanDerWaalsContact O-CB 3.3Å; L268-A272 WeakPolarHBondContact O-CB 3.41Å; L268-A272 PolarHBondContact O-N 3.07Å; H269-A272 PolarHBondContact O-N 3.44Å; A272-L281 HydrophobicContact CB-CD1 4.12Å; A272-L406 HydrophobicContact CB-CD1 4.09Å; A272-L406 HydrophobicContact CB-CD2 4.2Å; A272-L424 HydrophobicContact CB-CD1 4.34Å
273	N	83.9	Confident	83.5	Confident	75 Å²	75	60.6 Å²	60.6	40%	0.401	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-12.5	175.5	-76.5	-25.9	0	0	0	113.4	H269 Q270 L271 K275	H269-N273 VanDerWaalsContact O-CG 3.29Å; H269-N273 PolarHBondContact O-N 2.75Å; H269-N273 VanDerWaalsContact O-N 3.17Å; H269-N273 PolarHBondContact O-ND2 2.84Å; Q270-N273 PolarHBondContact O-N 3.41Å; L271-N273 VanDerWaalsContact C-N 3.27Å; L271-N273 PolarHBondContact O-N 2.89Å; N273-K275 PolarHBondContact O-N 2.95Å
274	D	86.3	Confident	82.8	Confident	28 Å²	28	59.1 Å²	59.1	15%	0.15	28%	0.28	C	S	.	.	S	Bend	trans	-69.5	127	173.2	-176.4	-90.7	0	0	0	110.2	Q270 L271 T276 V277 Q278 R437 L441	Q270-D274 PolarHBondContact O-N 3.25Å; L271-D274 PolarHBondContact O-N 2.61Å; D274-T276 VanDerWaalsContact C-N 3.27Å; D274-T276 PolarHBondContact O-N 2.96Å; D274-T276 WeakPolarHBondContact OD1-CB 3.01Å; D274-T276 PolarHBondContact OD1-N 3.38Å; D274-T276 VanDerWaalsContact OD1-N 3.12Å; D274-V277 HydrophobicContact CB-CB 4.12Å; D274-V277 HydrophobicContact CB-CG2 3.97Å; D274-V277 PolarHBondContact O-N 2.65Å; D274-V277 PolarHBondContact OD1-N 2.96Å; D274-Q278 WeakPolarHBondContact O-CB 3.39Å; D274-Q278 PolarHBondContact O-N 2.91Å; D274-R437 IonicContact OD1-CZ 3.91Å; D274-R437 IonicContact OD1-NE 3.15Å; D274-R437 PolarHBondContact OD1-NE 3.08Å; D274-R437 IonicContact OD1-NH2 3.85Å; D274-R437 IonicContact OD2-CZ 3.48Å; D274-R437 IonicContact OD2-NE 2.66Å; D274-R437 PolarHBondContact OD2-NE 3.32Å; D274-R437 IonicContact OD2-NH2 2.77Å; D274-R437 PolarHBondContact OD2-NH2 3.42Å; D274-L441 HydrophobicContact CB-CD1 4.32Å
275	K	85.8	Confident	81.9	Confident	166 Å²	166	61.2 Å²	61.2	72%	0.722	29%	0.288	S	S	*	.	H	α-helix	trans	-58.3	-37.5	-173.4	-67.6	-176.1	178.8	-177.9	0	113	N273 Q279	N273-K275 PolarHBondContact O-N 2.95Å; K275-Q279 WeakPolarHBondContact O-CG 3.46Å
276	T	87.4	Confident	81	Confident	46 Å²	46	59.9 Å²	59.9	28%	0.282	29%	0.287	S	S	.	.	H	α-helix	trans	-75.3	-43.3	-178.9	-57.6	0	0	0	0	110.1	D274 Q278 Q279 C280 I433 R437	D274-T276 VanDerWaalsContact C-N 3.27Å; D274-T276 PolarHBondContact O-N 2.96Å; D274-T276 WeakPolarHBondContact OD1-CB 3.01Å; D274-T276 PolarHBondContact OD1-N 3.38Å; D274-T276 VanDerWaalsContact OD1-N 3.12Å; T276-Q278 VanDerWaalsContact C-N 3.32Å; T276-Q278 PolarHBondContact O-N 3.12Å; T276-Q279 WeakPolarHBondContact O-CB 3.19Å; T276-Q279 PolarHBondContact O-N 3.49Å; T276-C280 PolarHBondContact O-SG 2.72Å; T276-C280 VanDerWaalsContact O-SG 3.36Å; T276-I433 HydrophobicContact CG2-CG2 3.83Å; T276-R437 HydrophobicContact CG2-CB 4.23Å; T276-R437 HydrophobicContact CG2-CG 4.04Å
277	V	85.8	Confident	80	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-41.9	175.7	177.6	0	0	0	0	111.4	L271 D274 Q279 C280 L281 L434 R437	L271-V277 HydrophobicContact CD1-CG1 4.47Å; L271-V277 HydrophobicContact CD1-CG2 3.96Å; L271-V277 HydrophobicContact CG-CG1 4.11Å; L271-V277 HydrophobicContact CG-CG2 4.48Å; L271-V277 WeakPolarHBondContact O-CB 3.4Å; L271-V277 WeakPolarHBondContact O-CG1 3.33Å; D274-V277 HydrophobicContact CB-CB 4.12Å; D274-V277 HydrophobicContact CB-CG2 3.97Å; D274-V277 PolarHBondContact O-N 2.65Å; D274-V277 PolarHBondContact OD1-N 2.96Å; V277-Q279 PolarHBondContact O-N 2.95Å; V277-Q279 VanDerWaalsContact O-N 3.15Å; V277-C280 WeakPolarHBondContact O-CA 3.41Å; V277-C280 WeakPolarHBondContact O-CB 3.5Å; V277-C280 PolarHBondContact O-N 2.89Å; V277-L281 HydrophobicContact CG1-CD1 4.32Å; V277-L281 HydrophobicContact CG1-CD2 4.49Å; V277-L281 HydrophobicContact CG1-CG 4.27Å; V277-L281 WeakPolarHBondContact O-CG 3.37Å; V277-L281 PolarHBondContact O-N 3.25Å; V277-L434 HydrophobicContact CB-CD1 4.29Å; V277-L434 HydrophobicContact CG1-CD1 3.69Å; V277-L434 HydrophobicContact CG2-CD1 4.03Å; V277-R437 HydrophobicContact CG2-CG 3.89Å
278	Q	84.1	Confident	78.6	Confident	54 Å²	54	59.5 Å²	59.5	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-53.9	-33.8	176.7	174.1	-179.4	13.7	0	0	113.2	D274 T276 C280 I404	D274-Q278 WeakPolarHBondContact O-CB 3.39Å; D274-Q278 PolarHBondContact O-N 2.91Å; T276-Q278 VanDerWaalsContact C-N 3.32Å; T276-Q278 PolarHBondContact O-N 3.12Å; Q278-C280 VanDerWaalsContact C-N 3.32Å; Q278-I404 HydrophobicContact CB-CD1 4.2Å; Q278-I404 HydrophobicContact CG-CD1 3.37Å; Q278-I404 HydrophobicContact CG-CG1 4.49Å
279	Q	85	Confident	77	Confident	140 Å²	140	67.1 Å²	67.1	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-72.9	-26	177.2	-67.7	170.5	-3.4	0	0	112.4	K275 T276 V277	K275-Q279 WeakPolarHBondContact O-CG 3.46Å; T276-Q279 WeakPolarHBondContact O-CB 3.19Å; T276-Q279 PolarHBondContact O-N 3.49Å; V277-Q279 PolarHBondContact O-N 2.95Å; V277-Q279 VanDerWaalsContact O-N 3.15Å
280	C	85.7	Confident	75.4	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.007	34%	0.342	C	S	.	.	H	α-helix	trans	-84.6	-17.3	179.2	-53.2	0	0	0	0	113.3	T276 V277 Q278 N427 Q430 L434	T276-C280 PolarHBondContact O-SG 2.72Å; T276-C280 VanDerWaalsContact O-SG 3.36Å; V277-C280 WeakPolarHBondContact O-CA 3.41Å; V277-C280 WeakPolarHBondContact O-CB 3.5Å; V277-C280 PolarHBondContact O-N 2.89Å; Q278-C280 VanDerWaalsContact C-N 3.32Å; C280-N427 PolarHBondContact O-N 3.42Å; C280-Q430 HydrophobicContact CB-CB 3.95Å; C280-L434 HydrophobicContact CB-CB 4.18Å; C280-L434 HydrophobicContact CB-CD1 4.49Å
281	L	85.9	Confident	73.8	Confident	9 Å²	9	71.7 Å²	71.7	5%	0.047	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-80.7	143.9	-177.9	-63.8	178.4	0	0	0	112.1	A272 V277 K283 V301 L424 V426	A272-L281 HydrophobicContact CB-CD1 4.12Å; V277-L281 HydrophobicContact CG1-CD1 4.32Å; V277-L281 HydrophobicContact CG1-CD2 4.49Å; V277-L281 HydrophobicContact CG1-CG 4.27Å; V277-L281 WeakPolarHBondContact O-CG 3.37Å; V277-L281 PolarHBondContact O-N 3.25Å; L281-K283 PolarHBondContact O-N 2.92Å; L281-V301 HydrophobicContact CD1-CG1 4.11Å; L281-V301 HydrophobicContact CD1-CG2 4.46Å; L281-L424 HydrophobicContact CD1-CD1 4.42Å; L281-L424 HydrophobicContact CD2-CB 4.15Å; L281-V426 HydrophobicContact CD2-CG2 4.13Å
282	N	81.6	Confident	72.3	Confident	58 Å²	58	78 Å²	78	31%	0.31	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-72.8	116.3	172.1	-82.9	-8	0	0	0	110	E425	N282-E425 HydrophobicContact CB-CB 4.27Å; N282-E425 HydrophobicContact CB-CG 4.16Å; N282-E425 PolarHBondContact N-O 2.94Å; N282-E425 PolarHBondContact ND2-OE1 3.01Å
283	K	78	Confident	70.6	Confident	87 Å²	87	86 Å²	86	38%	0.378	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.4	177.9	-58.2	-178.9	-175.3	174.5	0	110.2	L281 E299 V301	L281-K283 PolarHBondContact O-N 2.92Å; K283-E299 HydrophobicContact CD-CB 4.3Å; K283-E299 WeakPolarHBondContact CD-OE2 3.42Å; K283-E299 IonicContact NZ-OE2 3.48Å; K283-E299 PolarHBondContact NZ-OE2 2.87Å; K283-V301 HydrophobicContact CG-CG2 4.4Å
284	T	68.1	Low	69.1	Low	45 Å²	45	90.1 Å²	90.1	28%	0.276	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.5	170.4	-53.4	0	0	0	0	109.2	V300	T284-V300 PolarHBondContact N-O 3Å; T284-V300 WeakPolarHBondContact O-CG2 3.49Å; T284-V300 PolarHBondContact O-N 3.39Å; T284-V300 VanDerWaalsContact O-O 3.11Å
285	K	63	Low	67.5	Low	141 Å²	141	96 Å²	96	61%	0.613	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.3	170.8	-70	178.7	179.9	-176.1	0	108.6	V297 E299	K285-V297 HydrophobicContact CB-CG1 3.79Å; K285-V297 HydrophobicContact CD-CG1 3.95Å; K285-V297 HydrophobicContact CG-CG1 3.92Å; K285-E299 HydrophobicContact CG-CG 4.24Å
286	I	62.1	Low	65.8	Low	56 Å²	56	93.6 Å²	93.6	29%	0.287	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.2	170	-61.6	-174.2	0	0	0	107.6	V298 V300 V407	I286-V298 PolarHBondContact N-O 2.99Å; I286-V298 PolarHBondContact O-N 3.26Å; I286-V300 HydrophobicContact CB-CG2 3.79Å; I286-V300 HydrophobicContact CD1-CG2 3.39Å; I286-V300 HydrophobicContact CG1-CG2 3.36Å; I286-V407 HydrophobicContact CD1-CG1 4.33Å; I286-V407 HydrophobicContact CD1-CG2 4.49Å
287	I	57.6	Low	64.4	Low	102 Å²	102	95.7 Å²	95.7	52%	0.523	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.4	169.9	-56.7	171.7	0	0	0	105.6	Q295	I287-Q295 HydrophobicContact CG2-CB 4.47Å; I287-Q295 HydrophobicContact CG2-CG 4.41Å
288	T	55.6	Low	63.4	Low	49 Å²	49	98 Å²	98	30%	0.301	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121	167.6	34.3	0	0	0	0	108.1	D290 Q296	T288-D290 PolarHBondContact O-N 3.32Å; T288-Q296 PolarHBondContact N-O 3.03Å; T288-Q296 PolarHBondContact OG1-O 3.32Å
289	E	47.4	Very low	62.5	Low	162 Å²	162	99.6 Å²	99.6	76%	0.757	50%	0.498	S	S	*	.			trans	-82.2	99.9	164.1	-66.3	-178.9	170.8	0	0	106.7
290	D	49.1	Very low	61.8	Low	109 Å²	109	93.2 Å²	93.2	58%	0.583	47%	0.468	S	S	*	.			trans	-79.8	138.1	159.5	-79.5	-26.6	0	0	0	107.1	T288 D292	T288-D290 PolarHBondContact O-N 3.32Å; D290-D292 PolarHBondContact O-N 3.24Å
291	D	49.6	Very low	61.3	Low	169 Å²	169	93.2 Å²	93.2	90%	0.904	47%	0.468	S	S	*	.	S	Bend	trans	-60.5	14.4	-174.1	-85.2	-35.3	0	0	0	115.7
292	D	52.2	Low	60.9	Low	138 Å²	138	95.6 Å²	95.6	74%	0.738	48%	0.478	S	S	*	.	S	Bend	trans	-144.8	96.8	173.9	-82.9	-47	0	0	0	113.2	D290 K294	D290-D292 PolarHBondContact O-N 3.24Å; D292-K294 PolarHBondContact O-N 2.92Å
293	I	48.3	Very low	60.7	Low	169 Å²	169	92.9 Å²	92.9	87%	0.867	46%	0.464	S	S	*	.	S	Bend	trans	57.7	4.1	148.7	-53.1	-178.9	0	0	0	120.3
294	K	53.7	Low	60.8	Low	163 Å²	163	90.2 Å²	90.2	71%	0.709	45%	0.451	S	S	*	.			trans	-136.3	108.2	169	-68.6	-176	-177.6	176.3	0	113.2	D292 Q296	D292-K294 PolarHBondContact O-N 2.92Å; K294-Q296 PolarHBondContact O-N 2.86Å; K294-Q296 VanDerWaalsContact O-N 3.07Å
295	Q	50.9	Low	61.3	Low	152 Å²	152	89.4 Å²	89.4	71%	0.71	45%	0.445	S	S	*	.			trans	-60	110.3	166	-71.6	179.5	-8.4	0	0	109.2	I287	I287-Q295 HydrophobicContact CG2-CB 4.47Å; I287-Q295 HydrophobicContact CG2-CG 4.41Å
296	Q	50.1	Low	61.9	Low	115 Å²	115	83 Å²	83	54%	0.537	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	169.7	-75	-171.2	11.2	0	0	109.4	T288 K294 V298	T288-Q296 PolarHBondContact N-O 3.03Å; T288-Q296 PolarHBondContact OG1-O 3.32Å; K294-Q296 PolarHBondContact O-N 2.86Å; K294-Q296 VanDerWaalsContact O-N 3.07Å; Q296-V298 HydrophobicContact CB-CG2 4.48Å; Q296-V298 PolarHBondContact O-N 3.46Å
297	V	58.9	Low	62.3	Low	90 Å²	90	83.8 Å²	83.8	55%	0.545	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.4	171.2	-179	0	0	0	0	107.3	K285	K285-V297 HydrophobicContact CB-CG1 3.79Å; K285-V297 HydrophobicContact CD-CG1 3.95Å; K285-V297 HydrophobicContact CG-CG1 3.92Å
298	V	64.8	Low	62.7	Low	49 Å²	49	81.8 Å²	81.8	30%	0.297	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.6	177.9	-173.2	0	0	0	0	108.7	I286 Q296 V300	I286-V298 PolarHBondContact N-O 2.99Å; I286-V298 PolarHBondContact O-N 3.26Å; Q296-V298 HydrophobicContact CB-CG2 4.48Å; Q296-V298 PolarHBondContact O-N 3.46Å; V298-V300 HydrophobicContact CG1-CG1 4.08Å; V298-V300 PolarHBondContact O-N 2.83Å
299	E	64.5	Low	63.2	Low	88 Å²	88	80.7 Å²	80.7	41%	0.411	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.3	169.8	-68.8	-169.6	164.6	0	0	109.4	K283 K285	K283-E299 HydrophobicContact CD-CB 4.3Å; K283-E299 WeakPolarHBondContact CD-OE2 3.42Å; K283-E299 IonicContact NZ-OE2 3.48Å; K283-E299 PolarHBondContact NZ-OE2 2.87Å; K285-E299 HydrophobicContact CG-CG 4.24Å
300	V	71	Confident	63.8	Low	5 Å²	5	77.6 Å²	77.6	3%	0.03	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146	-179	-79.5	0	0	0	0	110.5	T284 I286 V298 K405 V407	T284-V300 PolarHBondContact N-O 3Å; T284-V300 WeakPolarHBondContact O-CG2 3.49Å; T284-V300 PolarHBondContact O-N 3.39Å; T284-V300 VanDerWaalsContact O-O 3.11Å; I286-V300 HydrophobicContact CB-CG2 3.79Å; I286-V300 HydrophobicContact CD1-CG2 3.39Å; I286-V300 HydrophobicContact CG1-CG2 3.36Å; V298-V300 HydrophobicContact CG1-CG1 4.08Å; V298-V300 PolarHBondContact O-N 2.83Å; V300-K405 WeakPolarHBondContact CB-O 3.4Å; V300-K405 HydrophobicContact CG1-CB 3.73Å; V300-K405 WeakPolarHBondContact CG1-O 3.38Å; V300-V407 HydrophobicContact CB-CB 4.5Å; V300-V407 HydrophobicContact CB-CG2 3.72Å; V300-V407 HydrophobicContact CG1-CG2 3.68Å; V300-V407 HydrophobicContact CG2-CG2 4.06Å
301	V	74.5	Confident	63.8	Low	1 Å²	1	78.4 Å²	78.4	1%	0.006	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.4	176.8	176.3	0	0	0	0	107.4	L281 K283 I404 L406 V407 L424	L281-V301 HydrophobicContact CD1-CG1 4.11Å; L281-V301 HydrophobicContact CD1-CG2 4.46Å; K283-V301 HydrophobicContact CG-CG2 4.4Å; V301-I404 HydrophobicContact CG2-CD1 4.46Å; V301-I404 HydrophobicContact CG2-CG2 4.33Å; V301-L406 HydrophobicContact CB-CD2 3.75Å; V301-L406 HydrophobicContact CG1-CD2 3.79Å; V301-V407 PolarHBondContact O-N 2.79Å; V301-L424 HydrophobicContact CG1-CD2 3.62Å
302	K	77.4	Confident	62.9	Low	60 Å²	60	77.9 Å²	77.9	26%	0.261	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.9	179.8	-70.7	-175	177.6	-179	0	110.8	Y304 V407	K302-Y304 HydrophobicContact CB-CE2 4.06Å; K302-V407 CarbonylContact C-O 3.59Å; K302-V407 WeakPolarHBondContact CA-O 3.36Å
303	L	77.8	Confident	61.9	Low	1 Å²	1	77.2 Å²	77.2	1%	0.005	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118	168.9	-77.6	161.1	0	0	0	108.8	L268 L406 V407 F408 D409 V412 L422 L424	L268-L303 HydrophobicContact CD1-CD2 4.35Å; L303-L406 HydrophobicContact CD1-CB 3.87Å; L303-L406 HydrophobicContact CD1-CD1 4.46Å; L303-L406 HydrophobicContact CD1-CD2 4.1Å; L303-L406 HydrophobicContact CD1-CG 4.37Å; L303-L406 HydrophobicContact CG-CD2 4.14Å; L303-V407 PolarHBondContact N-O 3.08Å; L303-F408 HydrophobicContact CB-CD1 3.92Å; L303-F408 HydrophobicContact CB-CE1 4.19Å; L303-F408 HydrophobicContact CD1-CD1 4.01Å; L303-F408 HydrophobicContact CD1-CE1 3.51Å; L303-F408 HydrophobicContact CD1-CZ 3.97Å; L303-F408 HydrophobicContact CG-CE1 4.48Å; L303-D409 WeakPolarHBondContact O-CB 3.37Å; L303-D409 PolarHBondContact O-N 3.3Å; L303-V412 WeakPolarHBondContact O-CG2 3.41Å; L303-L422 HydrophobicContact CD2-CB 4.36Å; L303-L422 HydrophobicContact CD2-CD1 4.46Å; L303-L424 HydrophobicContact CD2-CD2 3.42Å; L303-L424 VanDerWaalsContact CD2-CD2 3.42Å; L303-L424 HydrophobicContact CD2-CG 3.89Å; L303-L424 HydrophobicContact CG-CD2 4Å
304	Y	79.5	Confident	60.9	Low	30 Å²	30	77.9 Å²	77.9	12%	0.118	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	155.8	178	-57	-86.5	0	0	0	111	F259 K302 L309 D409 L422 A423 E425	F259-Y304 HydrophobicContact CD1-CD2 4.44Å; F259-Y304 HydrophobicContact CE1-CD2 4.04Å; F259-Y304 HydrophobicContact CE1-CE2 4.12Å; K302-Y304 HydrophobicContact CB-CE2 4.06Å; Y304-L309 HydrophobicContact CD1-CD2 4.03Å; Y304-L309 HydrophobicContact CG-CD2 4.01Å; Y304-D409 HydrophobicContact CD1-CB 4.03Å; Y304-L422 CarbonylContact O-C 3.58Å; Y304-L422 WeakPolarHBondContact O-CA 3.45Å; Y304-A423 PolarHBondContact N-O 3.38Å; Y304-A423 PolarHBondContact O-N 3.23Å; Y304-E425 HydrophobicContact CE2-CB 3.98Å; Y304-E425 PolarHBondContact OH-OE2 2.87Å
305	N	79.9	Confident	59.7	Low	28 Å²	28	79 Å²	79	15%	0.15	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	122.2	163	-176.7	-13.9	0	0	0	108.8	A307 S308 S411 V412	N305-A307 PolarHBondContact O-N 2.73Å; N305-A307 PolarHBondContact OD1-N 2.8Å; N305-S308 PolarHBondContact O-N 2.9Å; N305-S308 PolarHBondContact O-OG 3.07Å; N305-S411 VanDerWaalsContact CB-O 3.24Å; N305-S411 WeakPolarHBondContact CB-O 3.44Å; N305-S411 PolarHBondContact ND2-O 3.19Å; N305-V412 HydrophobicContact CB-CG2 4.21Å
306	A	74.1	Confident	58.6	Low	6 Å²	6	81.2 Å²	81.2	5%	0.05	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.2	-175.9	0	0	0	0	0	113.3	K254 E261 V421 A423	K254-A306 PolarHBondContact NZ-O 3.08Å; E261-A306 HydrophobicContact CG-CB 4.3Å; A306-V421 HydrophobicContact CB-CB 3.88Å; A306-V421 HydrophobicContact CB-CG1 3.73Å; A306-V421 WeakPolarHBondContact CB-O 3.45Å; A306-V421 PolarHBondContact N-O 3.23Å; A306-A423 HydrophobicContact CB-CB 4.4Å
307	A	71.6	Confident	57.6	Low	73 Å²	73	84.7 Å²	84.7	60%	0.603	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-32	178.4	0	0	0	0	0	113.3	N305 L309	N305-A307 PolarHBondContact O-N 2.73Å; N305-A307 PolarHBondContact OD1-N 2.8Å; A307-L309 VanDerWaalsContact C-N 3.29Å; A307-L309 PolarHBondContact O-N 3.28Å
308	S	67	Low	56.1	Low	61 Å²	61	89.4 Å²	89.4	43%	0.427	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.9	-179.1	62.1	0	0	0	0	113.1	N305 V310 S411	N305-S308 PolarHBondContact O-N 2.9Å; N305-S308 PolarHBondContact O-OG 3.07Å; S308-V310 PolarHBondContact O-N 2.65Å; S308-S411 VanDerWaalsContact OG-CB 3.26Å; S308-S411 WeakPolarHBondContact OG-CB 3.04Å; S308-S411 PolarHBondContact OG-OG 3.46Å
309	L	65.6	Low	54.3	Low	26 Å²	26	93 Å²	93	14%	0.136	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.1	179	-63.9	175.5	0	0	0	113.7	K254 F259 Y304 A307 I311 A423	K254-L309 HydrophobicContact CD-CB 3.95Å; F259-L309 HydrophobicContact CD1-CD1 3.75Å; F259-L309 HydrophobicContact CD2-CD1 4.23Å; F259-L309 HydrophobicContact CE1-CD1 3.73Å; F259-L309 HydrophobicContact CE1-CD2 4.15Å; F259-L309 HydrophobicContact CE2-CD1 4.22Å; F259-L309 HydrophobicContact CG-CD1 4.01Å; F259-L309 HydrophobicContact CZ-CD1 3.98Å; F259-L309 HydrophobicContact CZ-CD2 4.06Å; Y304-L309 HydrophobicContact CD1-CD2 4.03Å; Y304-L309 HydrophobicContact CG-CD2 4.01Å; A307-L309 VanDerWaalsContact C-N 3.29Å; A307-L309 PolarHBondContact O-N 3.28Å; L309-I311 PolarHBondContact O-N 3.47Å; L309-A423 HydrophobicContact CD1-CB 3.83Å
310	V	59.7	Low	52.5	Low	96 Å²	96	96.3 Å²	96.3	58%	0.582	50%	0.499	S	S	*	.	S	Bend	trans	-79	106.3	176.8	-175.6	0	0	0	0	109.1	S308 Q312	S308-V310 PolarHBondContact O-N 2.65Å; V310-Q312 PolarHBondContact O-N 2.69Å
311	I	49	Very low	50.7	Low	126 Å²	126	105.1 Å²	105.1	65%	0.646	53%	0.532	S	S	*	.			trans	-65.9	107.3	176.5	-58.3	172.2	0	0	0	108.5	L309	L309-I311 PolarHBondContact O-N 3.47Å
312	Q	30.1	Very low	48.3	Very low	159 Å²	159	114.7 Å²	114.7	74%	0.743	58%	0.576	S	S	*	*			trans	-71.8	133.2	163.9	-67	-174.7	5.3	0	0	108.4	V310 Q314	V310-Q312 PolarHBondContact O-N 2.69Å; Q312-Q314 PolarHBondContact O-N 3.38Å
313	P	31.4	Very low	46	Very low	124 Å²	124	119 Å²	119	81%	0.805	60%	0.6	S	S	*	*			trans	-62.9	110	174.9	23.6	-30	0	0	0	109.4
314	Q	26.8	Very low	43.5	Very low	183 Å²	183	124.2 Å²	124.2	86%	0.855	63%	0.634	S	S	*	*			trans	-73.2	128.5	169.3	-68.9	-176.1	-13.1	0	0	108.6	Q312	Q312-Q314 PolarHBondContact O-N 3.38Å
315	H	28.6	Very low	41	Very low	186 Å²	186	129.1 Å²	129.1	86%	0.861	67%	0.668	S	S	*	*			trans	87.6	84	-178.7	-59.1	-31.3	0	0	0	118
316	Q	27.9	Very low	38.6	Very low	198 Å²	198	134.4 Å²	134.4	93%	0.925	70%	0.696	S	S	*	*			trans	-130.3	115.1	134	-75.7	-177.2	-0.7	0	0	108.3
317	Q	30.2	Very low	36.4	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	73%	0.733	S	S	*	*			trans	-58.8	140.3	169.8	-80.1	167.1	-31.7	0	0	109.5	D319	Q317-D319 PolarHBondContact O-N 3.33Å
318	E	26.6	Very low	34.5	Very low	190 Å²	190	148.9 Å²	148.9	89%	0.888	75%	0.747	S	S	*	*			trans	-51	106.7	169.7	-65	172.3	154.1	0	0	109.8
319	D	28	Very low	32.8	Very low	123 Å²	123	150.9 Å²	150.9	66%	0.658	76%	0.757	S	S	*	*			trans	-120.8	90.5	164.7	-141.8	1.9	0	0	0	107.3	Q317 R321	Q317-D319 PolarHBondContact O-N 3.33Å; D319-R321 PolarHBondContact O-N 2.74Å; D319-R321 IonicContact OD2-NE 3.02Å; D319-R321 IonicContact OD2-NH2 2.91Å
320	N	26.8	Very low	31.3	Very low	159 Å²	159	152.5 Å²	152.5	85%	0.85	78%	0.78	S	S	*	*			trans	-61.8	97.3	170.3	-80.5	-36.1	0	0	0	108.6
321	R	31.4	Very low	30.4	Very low	190 Å²	190	154.2 Å²	154.2	72%	0.717	79%	0.785	S	S	*	*			trans	-132.2	109.1	163.2	-66.6	-171.2	-168	-173.5	4.7	109.8	D319 I323	D319-R321 PolarHBondContact O-N 2.74Å; D319-R321 IonicContact OD2-NE 3.02Å; D319-R321 IonicContact OD2-NH2 2.91Å; R321-I323 PolarHBondContact O-N 2.75Å
322	E	25.2	Very low	29.9	Very low	201 Å²	201	154.2 Å²	154.2	94%	0.939	78%	0.782	S	S	*	*			trans	-52.9	126.2	163.9	-62.6	174.2	157.9	0	0	109.1
323	I	28.8	Very low	30.3	Very low	150 Å²	150	149.9 Å²	149.9	77%	0.769	76%	0.764	S	S	*	*			trans	-125.9	137.4	172.4	-61	177.6	0	0	0	108.1	R321	R321-I323 PolarHBondContact O-N 2.75Å
324	P	26.4	Very low	30.9	Very low	111 Å²	111	150.1 Å²	150.1	72%	0.721	75%	0.754	S	S	*	*			trans	-79.9	153.4	-155.1	-7.7	25.9	0	0	0	113.8	D326	P324-D326 PolarHBondContact O-N 3.24Å
325	T	25.4	Very low	31.9	Very low	134 Å²	134	146.5 Å²	146.5	82%	0.822	74%	0.739	S	S	*	*			trans	-67.5	109.1	168.3	50.6	0	0	0	0	111.5
326	D	30.1	Very low	32.8	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	72%	0.722	S	S	*	*			trans	-149.5	104.9	158.9	-84.9	-40.6	0	0	0	107.8	P324	P324-D326 PolarHBondContact O-N 3.24Å
327	K	29	Very low	33.5	Very low	190 Å²	190	139.7 Å²	139.7	83%	0.826	70%	0.704	S	S	*	*				56.1	91.1	95.7	-71.9	-176.8	-178.9	173.5	0	113.5
328	E	30.3	Very low	34.3	Very low	192 Å²	192	135.4 Å²	135.4	90%	0.897	69%	0.686	S	S	*	*			trans	166.1	78.1	140.8	-93.2	175.5	-170.7	0	0	110.8
329	T	30.9	Very low	35.3	Very low	103 Å²	103	132.5 Å²	132.5	63%	0.632	67%	0.668	S	S	*	*			trans	-128.8	64.3	170.3	47.3	0	0	0	0	110.2
330	G	34.4	Very low	36.1	Very low	61 Å²	61	129.3 Å²	129.3	63%	0.629	66%	0.659	S	S	*	*			trans	-92.8	5.1	-164.1	0	0	0	0	0	118.3
331	I	41.3	Very low	36.9	Very low	131 Å²	131	129.6 Å²	129.6	67%	0.672	65%	0.648	S	S	*	*	S	Bend	trans	-144.6	-32.1	-178.5	-54.7	178.1	0	0	0	112.3	E334 M335	I331-E334 PolarHBondContact O-N 3.03Å; I331-M335 PolarHBondContact O-N 2.88Å
332	Q	38.2	Very low	37.6	Very low	127 Å²	127	124.9 Å²	124.9	59%	0.593	64%	0.636	S	S	*	*	H	α-helix	trans	-74.4	-40.2	-174.7	-66.7	166.9	-10.9	0	0	113.2	E334 L336	Q332-E334 VanDerWaalsContact C-N 3.29Å; Q332-L336 WeakPolarHBondContact O-CD1 3.3Å; Q332-L336 PolarHBondContact O-N 3.45Å
333	D	39	Very low	38.5	Very low	68 Å²	68	120.2 Å²	120.2	36%	0.364	62%	0.618	S	S	.	*	H	α-helix	trans	-73.8	-26.8	175.1	-153.4	7.9	0	0	0	110.4	R337	D333-R337 VanDerWaalsContact CG-NE 3.29Å; D333-R337 WeakPolarHBondContact O-CB 3.36Å; D333-R337 WeakPolarHBondContact O-CD 3.39Å; D333-R337 WeakPolarHBondContact O-CG 3.31Å; D333-R337 PolarHBondContact O-N 3.42Å; D333-R337 IonicContact OD1-CZ 2.98Å; D333-R337 IonicContact OD1-NE 3.32Å; D333-R337 PolarHBondContact OD1-NE 2.71Å; D333-R337 IonicContact OD1-NH2 3.5Å; D333-R337 IonicContact OD2-CZ 2.66Å; D333-R337 IonicContact OD2-NE 3.94Å; D333-R337 PolarHBondContact OD2-NE 2.95Å; D333-R337 IonicContact OD2-NH2 3.18Å; D333-R337 PolarHBondContact OD2-NH2 3.4Å
334	E	43.1	Very low	39.2	Very low	129 Å²	129	114.9 Å²	114.9	60%	0.603	60%	0.597	S	S	*	*	H	α-helix	trans	-72.5	-39.2	178.7	-155.3	171	-148.4	0	0	112.2	I331 Q332 L338	I331-E334 PolarHBondContact O-N 3.03Å; Q332-E334 VanDerWaalsContact C-N 3.29Å; E334-L338 VanDerWaalsContact O-CB 3.3Å; E334-L338 WeakPolarHBondContact O-CB 3.39Å; E334-L338 PolarHBondContact O-N 3.43Å
335	M	47.7	Very low	39.9	Very low	106 Å²	106	114.6 Å²	114.6	52%	0.522	59%	0.589	S	S	.	*	H	α-helix	trans	-68.8	-43.8	175.6	-115.4	-108	-58.2	0	0	112.6	I331 L338 Y339	I331-M335 PolarHBondContact O-N 2.88Å; M335-L338 VanDerWaalsContact O-CB 3.27Å; M335-L338 WeakPolarHBondContact O-CB 3.48Å; M335-L338 PolarHBondContact O-N 2.92Å; M335-Y339 HydrophobicContact CE-CE2 4.06Å; M335-Y339 WeakPolarHBondContact O-CD2 3.27Å; M335-Y339 PolarHBondContact O-N 3.26Å; M335-Y339 HydrophobicContact SD-CE2 3.55Å; M335-Y339 VanDerWaalsContact SD-CE2 3.55Å
336	L	47.3	Very low	40.8	Very low	98 Å²	98	114.9 Å²	114.9	51%	0.513	58%	0.581	S	S	.	*	H	α-helix	trans	-69.7	-37.2	175.8	-92.4	121.1	0	0	0	112.3	Q332 L338 Y339 A340	Q332-L336 WeakPolarHBondContact O-CD1 3.3Å; Q332-L336 PolarHBondContact O-N 3.45Å; L336-L338 VanDerWaalsContact C-N 3.27Å; L336-Y339 PolarHBondContact O-N 2.92Å; L336-A340 WeakPolarHBondContact O-CB 3.1Å; L336-A340 PolarHBondContact O-N 2.82Å
337	R	43.6	Very low	41.3	Very low	143 Å²	143	115 Å²	115	54%	0.54	58%	0.577	S	S	.	*	H	α-helix	trans	-68.2	-26.6	168.4	-72.3	171.1	-169.6	-164.4	0.8	112.1	D333 R341	D333-R337 VanDerWaalsContact CG-NE 3.29Å; D333-R337 WeakPolarHBondContact O-CB 3.36Å; D333-R337 WeakPolarHBondContact O-CD 3.39Å; D333-R337 WeakPolarHBondContact O-CG 3.31Å; D333-R337 PolarHBondContact O-N 3.42Å; D333-R337 IonicContact OD1-CZ 2.98Å; D333-R337 IonicContact OD1-NE 3.32Å; D333-R337 PolarHBondContact OD1-NE 2.71Å; D333-R337 IonicContact OD1-NH2 3.5Å; D333-R337 IonicContact OD2-CZ 2.66Å; D333-R337 IonicContact OD2-NE 3.94Å; D333-R337 PolarHBondContact OD2-NE 2.95Å; D333-R337 IonicContact OD2-NH2 3.18Å; D333-R337 PolarHBondContact OD2-NH2 3.4Å; R337-R341 WeakPolarHBondContact O-CA 3.32Å; R337-R341 WeakPolarHBondContact O-CB 3.42Å; R337-R341 WeakPolarHBondContact O-CG 3.46Å; R337-R341 PolarHBondContact O-N 3Å
338	L	46.1	Very low	41.7	Very low	99 Å²	99	109 Å²	109	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-67.2	-47	172.2	-141.6	88.6	0	0	0	109.9	E334 M335 L336 R341 L342	E334-L338 VanDerWaalsContact O-CB 3.3Å; E334-L338 WeakPolarHBondContact O-CB 3.39Å; E334-L338 PolarHBondContact O-N 3.43Å; M335-L338 VanDerWaalsContact O-CB 3.27Å; M335-L338 WeakPolarHBondContact O-CB 3.48Å; M335-L338 PolarHBondContact O-N 2.92Å; L336-L338 VanDerWaalsContact C-N 3.27Å; L338-R341 PolarHBondContact O-N 3.48Å; L338-L342 HydrophobicContact CD2-CD1 4.34Å; L338-L342 HydrophobicContact CG-CD1 4.42Å; L338-L342 VanDerWaalsContact O-CB 3.28Å; L338-L342 WeakPolarHBondContact O-CB 2.98Å; L338-L342 WeakPolarHBondContact O-CD1 3.06Å; L338-L342 WeakPolarHBondContact O-CG 3.36Å; L338-L342 PolarHBondContact O-N 3.33Å
339	Y	49.4	Very low	41.9	Very low	129 Å²	129	102.3 Å²	102.3	51%	0.506	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-42.7	176.2	-69.2	-64.9	0	0	0	112.2	M335 L336 L342 D343	M335-Y339 HydrophobicContact CE-CE2 4.06Å; M335-Y339 WeakPolarHBondContact O-CD2 3.27Å; M335-Y339 PolarHBondContact O-N 3.26Å; M335-Y339 HydrophobicContact SD-CE2 3.55Å; M335-Y339 VanDerWaalsContact SD-CE2 3.55Å; L336-Y339 PolarHBondContact O-N 2.92Å; Y339-L342 PolarHBondContact O-N 2.9Å; Y339-D343 WeakPolarHBondContact O-CB 3.33Å; Y339-D343 VanDerWaalsContact O-CG 3.25Å; Y339-D343 PolarHBondContact O-N 3.5Å
340	A	44	Very low	42.1	Very low	56 Å²	56	103.3 Å²	103.3	46%	0.463	54%	0.536	S	S	.	.	H	α-helix	trans	-69.2	-31.3	176	0	0	0	0	0	113	L336 A344	L336-A340 WeakPolarHBondContact O-CB 3.1Å; L336-A340 PolarHBondContact O-N 2.82Å; A340-A344 WeakPolarHBondContact O-CB 3.34Å; A340-A344 PolarHBondContact O-N 2.8Å
341	R	43.4	Very low	41.9	Very low	165 Å²	165	104.4 Å²	104.4	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-75	-32.5	169.8	-86.3	179.5	172.6	156.8	-3.1	112	R337 L338 A344 D345	R337-R341 WeakPolarHBondContact O-CA 3.32Å; R337-R341 WeakPolarHBondContact O-CB 3.42Å; R337-R341 WeakPolarHBondContact O-CG 3.46Å; R337-R341 PolarHBondContact O-N 3Å; L338-R341 PolarHBondContact O-N 3.48Å; R341-A344 PolarHBondContact O-N 2.79Å; R341-D345 WeakPolarHBondContact O-CA 3.5Å; R341-D345 WeakPolarHBondContact O-CB 3.32Å; R341-D345 PolarHBondContact O-N 2.66Å; R341-D345 VanDerWaalsContact O-OD2 3.13Å
342	L	45.2	Very low	41.4	Very low	90 Å²	90	104.6 Å²	104.6	47%	0.471	53%	0.533	S	S	.	.	H	α-helix	trans	-69.5	-41.8	174.7	-73.8	164.4	0	0	0	110.2	L338 Y339 E346	L338-L342 HydrophobicContact CD2-CD1 4.34Å; L338-L342 HydrophobicContact CG-CD1 4.42Å; L338-L342 VanDerWaalsContact O-CB 3.28Å; L338-L342 WeakPolarHBondContact O-CB 2.98Å; L338-L342 WeakPolarHBondContact O-CD1 3.06Å; L338-L342 WeakPolarHBondContact O-CG 3.36Å; L338-L342 PolarHBondContact O-N 3.33Å; Y339-L342 PolarHBondContact O-N 2.9Å; L342-E346 WeakPolarHBondContact O-CB 3.46Å; L342-E346 WeakPolarHBondContact O-CG 3.23Å; L342-E346 PolarHBondContact O-N 3.2Å; L342-E346 VanDerWaalsContact O-N 3.08Å
343	D	44.2	Very low	41	Very low	104 Å²	104	103.3 Å²	103.3	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-65.4	-42.4	172.6	-67.5	-22.3	0	0	0	111	Y339 E347	Y339-D343 WeakPolarHBondContact O-CB 3.33Å; Y339-D343 VanDerWaalsContact O-CG 3.25Å; Y339-D343 PolarHBondContact O-N 3.5Å; D343-E347 WeakPolarHBondContact O-CB 3.38Å; D343-E347 VanDerWaalsContact O-CG 3.32Å; D343-E347 WeakPolarHBondContact O-CG 3.47Å; D343-E347 PolarHBondContact O-N 3.21Å
344	A	43.5	Very low	40.6	Very low	38 Å²	38	106 Å²	106	31%	0.314	55%	0.551	S	S	.	*	H	α-helix	trans	-77.8	-31.6	179.1	0	0	0	0	0	114	A340 R341 E347 V348	A340-A344 WeakPolarHBondContact O-CB 3.34Å; A340-A344 PolarHBondContact O-N 2.8Å; R341-A344 PolarHBondContact O-N 2.79Å; A344-E347 PolarHBondContact O-N 3.22Å; A344-V348 WeakPolarHBondContact O-CA 3.38Å; A344-V348 WeakPolarHBondContact O-CB 3.41Å; A344-V348 WeakPolarHBondContact O-CG2 3.36Å; A344-V348 PolarHBondContact O-N 3.06Å
345	D	42.9	Very low	39.8	Very low	104 Å²	104	106.3 Å²	106.3	56%	0.556	56%	0.561	S	S	*	*	H	α-helix	trans	-80	-22.7	178.8	-66.3	-26.8	0	0	0	110.4	R341 G349	R341-D345 WeakPolarHBondContact O-CA 3.5Å; R341-D345 WeakPolarHBondContact O-CB 3.32Å; R341-D345 PolarHBondContact O-N 2.66Å; R341-D345 VanDerWaalsContact O-OD2 3.13Å; D345-G349 WeakPolarHBondContact O-CA 3.23Å; D345-G349 PolarHBondContact O-N 2.89Å
346	E	44.3	Very low	38.9	Very low	141 Å²	141	107.3 Å²	107.3	66%	0.659	57%	0.573	S	S	*	*	H	α-helix	trans	-75.6	-42	163.8	-75	-174.8	168.2	0	0	111.4	L342 E350	L342-E346 WeakPolarHBondContact O-CB 3.46Å; L342-E346 WeakPolarHBondContact O-CG 3.23Å; L342-E346 PolarHBondContact O-N 3.2Å; L342-E346 VanDerWaalsContact O-N 3.08Å; E346-E350 WeakPolarHBondContact O-CG 3.36Å; E346-E350 PolarHBondContact O-N 2.84Å
347	E	39.2	Very low	38	Very low	141 Å²	141	109.7 Å²	109.7	66%	0.659	59%	0.586	S	S	*	*	H	α-helix	trans	-71.3	-29.8	175.2	-75.9	-177	168.2	0	0	114.1	D343 A344 T351	D343-E347 WeakPolarHBondContact O-CB 3.38Å; D343-E347 VanDerWaalsContact O-CG 3.32Å; D343-E347 WeakPolarHBondContact O-CG 3.47Å; D343-E347 PolarHBondContact O-N 3.21Å; A344-E347 PolarHBondContact O-N 3.22Å; E347-T351 PolarHBondContact O-OG1 3.28Å
348	V	37.1	Very low	37.1	Very low	65 Å²	65	109.7 Å²	109.7	39%	0.394	60%	0.602	S	S	.	*	H	α-helix	trans	-92.6	-27.3	-179.6	179.6	0	0	0	0	111.6	A344 E350 T351 N352	A344-V348 WeakPolarHBondContact O-CA 3.38Å; A344-V348 WeakPolarHBondContact O-CB 3.41Å; A344-V348 WeakPolarHBondContact O-CG2 3.36Å; A344-V348 PolarHBondContact O-N 3.06Å; V348-E350 VanDerWaalsContact C-N 3.27Å; V348-E350 PolarHBondContact O-N 2.64Å; V348-T351 WeakPolarHBondContact CA-OG1 3.48Å; V348-T351 PolarHBondContact O-N 3.35Å; V348-T351 PolarHBondContact O-OG1 2.82Å; V348-N352 WeakPolarHBondContact CG1-ND2 3.45Å; V348-N352 WeakPolarHBondContact O-CB 3.21Å; V348-N352 PolarHBondContact O-N 3.29Å; V348-N352 VanDerWaalsContact O-N 3.09Å
349	G	35	Very low	36.3	Very low	51 Å²	51	110.7 Å²	110.7	53%	0.526	61%	0.613	S	S	.	*	H	α-helix	trans	-67	-27.1	168.9	0	0	0	0	0	113.2	D345	D345-G349 WeakPolarHBondContact O-CA 3.23Å; D345-G349 PolarHBondContact O-N 2.89Å
350	E	34.3	Very low	35.3	Very low	124 Å²	124	113.5 Å²	113.5	58%	0.579	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-14.3	173.6	-74.7	-172.4	161	0	0	114.1	E346 V348	E346-E350 WeakPolarHBondContact O-CG 3.36Å; E346-E350 PolarHBondContact O-N 2.84Å; V348-E350 VanDerWaalsContact C-N 3.27Å; V348-E350 PolarHBondContact O-N 2.64Å
351	T	31.9	Very low	34.6	Very low	83 Å²	83	119.6 Å²	119.6	51%	0.509	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.7	-18.9	-175.9	46.8	0	0	0	0	115.1	E347 V348	E347-T351 PolarHBondContact O-OG1 3.28Å; V348-T351 WeakPolarHBondContact CA-OG1 3.48Å; V348-T351 PolarHBondContact O-N 3.35Å; V348-T351 PolarHBondContact O-OG1 2.82Å
352	N	29.2	Very low	33.9	Very low	135 Å²	135	117.4 Å²	117.4	72%	0.722	65%	0.654	S	S	*	*	S	Bend	trans	-104.8	9.1	-175.9	-81	-28.9	0	0	0	116.9	V348 I354	V348-N352 WeakPolarHBondContact CG1-ND2 3.45Å; V348-N352 WeakPolarHBondContact O-CB 3.21Å; V348-N352 PolarHBondContact O-N 3.29Å; V348-N352 VanDerWaalsContact O-N 3.09Å; N352-I354 VanDerWaalsContact C-N 3.34Å
353	S	30.3	Very low	33.1	Very low	100 Å²	100	117.1 Å²	117.1	70%	0.699	67%	0.672	S	S	*	*	S	Bend	trans	-93.6	9.8	168.3	57.7	0	0	0	0	113.5
354	I	30.6	Very low	32.2	Very low	126 Å²	126	120.1 Å²	120.1	65%	0.646	69%	0.688	S	S	*	*			trans	-107.8	48.7	-168.4	-46.2	176.6	0	0	0	110.9	N352	N352-I354 VanDerWaalsContact C-N 3.34Å
355	V	26.4	Very low	31.5	Very low	134 Å²	134	123.7 Å²	123.7	81%	0.812	71%	0.711	S	S	*	*			trans	-155.2	121.5	160.4	-166.1	0	0	0	0	107.7
356	V	29	Very low	30.7	Very low	128 Å²	128	126.9 Å²	126.9	78%	0.776	72%	0.72	S	S	*	*			trans	147.7	108.7	148	171.2	0	0	0	0	112.2
357	D	28.7	Very low	29.9	Very low	147 Å²	147	129.7 Å²	129.7	79%	0.786	73%	0.725	S	S	*	*			trans	59.3	100.1	147.4	-66.1	-23.3	0	0	0	122.9	T359	D357-T359 PolarHBondContact O-N 2.84Å
358	T	25.3	Very low	29.4	Very low	143 Å²	143	132 Å²	132	88%	0.877	74%	0.736	S	S	*	*			trans	-74.8	95.9	156.6	28.7	0	0	0	0	111.4
359	T	29.3	Very low	29	Very low	120 Å²	120	137.4 Å²	137.4	74%	0.736	76%	0.757	S	S	*	*			trans	-154.1	114	151.5	44.7	0	0	0	0	114.4	D357	D357-T359 PolarHBondContact O-N 2.84Å
360	K	27.6	Very low	28.8	Very low	188 Å²	188	140.7 Å²	140.7	82%	0.817	77%	0.769	S	S	*	*			trans	62.2	124.8	137	-74.4	-179.9	179.6	172.5	0	121.8
361	K	30.2	Very low	28.6	Very low	185 Å²	185	139.9 Å²	139.9	80%	0.804	78%	0.777	S	S	*	*			trans	100.7	105.4	136.3	-74.6	174.3	177.8	-173.5	0	120.1
362	S	27	Very low	28.4	Very low	119 Å²	119	143 Å²	143	83%	0.832	79%	0.791	S	S	*	*				39.7	123.2	127.4	67	0	0	0	0	120.9
363	G	29	Very low	28.7	Very low	83 Å²	83	142.6 Å²	142.6	86%	0.856	79%	0.793	S	S	*	*			trans	159.8	119.8	154.3	0	0	0	0	0	114.4
364	N	26.3	Very low	28.9	Very low	167 Å²	167	141.7 Å²	141.7	89%	0.893	78%	0.783	S	S	*	*			trans	-63.6	143.1	178.9	-79.5	-23.7	0	0	0	115.4
365	S	28.3	Very low	29.1	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	78%	0.78	S	S	*	*			trans	165.2	103.5	134.2	56.9	0	0	0	0	109.4
366	F	25	Very low	29.9	Very low	170 Å²	170	139.6 Å²	139.6	75%	0.746	77%	0.768	S	S	*	*				64	103.8	82.5	-156.7	-134.8	0	0	0	114.7
367	W	27.7	Very low	30.3	Very low	200 Å²	200	138.5 Å²	138.5	76%	0.758	76%	0.757	S	S	*	*			trans	77.5	107.1	171	-50	111.6	0	0	0	119.5
368	E	28.7	Very low	30.8	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	75%	0.751	S	S	*	*				-171.3	118.4	129	-104.5	165.7	-173.2	0	0	112.4
369	Q	30	Very low	31.2	Very low	179 Å²	179	130.8 Å²	130.8	84%	0.836	72%	0.721	S	S	*	*			trans	43.5	124.4	153.2	-58.3	-176.8	3.6	0	0	122
370	P	29.1	Very low	31.2	Very low	120 Å²	120	128 Å²	128	78%	0.779	72%	0.716	S	S	*	*			trans	-86.2	116.2	172.2	32.9	-26.2	0	0	0	111
371	S	31.1	Very low	31.6	Very low	107 Å²	107	122.8 Å²	122.8	75%	0.748	70%	0.696	S	S	*	*			trans	-77.9	116.8	161.9	51.8	0	0	0	0	109.3	T373	S371-T373 PolarHBondContact O-N 3.38Å
372	D	28.4	Very low	31.7	Very low	150 Å²	150	123 Å²	123	80%	0.802	70%	0.7	S	S	*	*			trans	-69.7	85.1	-179.9	-76.6	-33.2	0	0	0	112.2
373	T	35.7	Very low	31.9	Very low	125 Å²	125	120.8 Å²	120.8	77%	0.767	69%	0.685	S	S	*	*			trans	-141.5	115.2	159.1	8.1	0	0	0	0	108.3	S371 N375	S371-T373 PolarHBondContact O-N 3.38Å; T373-N375 PolarHBondContact O-N 2.92Å; T373-N375 VanDerWaalsContact O-N 3.12Å
374	V	34.4	Very low	32.2	Very low	82 Å²	82	123.7 Å²	123.7	50%	0.497	68%	0.681	S	S	.	*			trans	-71	109.1	-179.2	-178.2	0	0	0	0	108.1	Q178 I376	Q178-V374 HydrophobicContact CG-CG2 3.94Å; V374-I376 VanDerWaalsContact C-N 3.35Å; V374-I376 PolarHBondContact O-N 3.48Å
375	N	34.9	Very low	32.6	Very low	106 Å²	106	121.7 Å²	121.7	57%	0.567	68%	0.675	S	S	*	*			trans	-68.8	93.7	169.5	-169.2	-16.3	0	0	0	108.7	T373 N377 A378	T373-N375 PolarHBondContact O-N 2.92Å; T373-N375 VanDerWaalsContact O-N 3.12Å; N375-N377 PolarHBondContact O-N 3.36Å; N375-N377 VanDerWaalsContact O-N 3.11Å; N375-N377 WeakPolarHBondContact OD1-CA 3.35Å; N375-N377 WeakPolarHBondContact OD1-CB 3.49Å; N375-N377 PolarHBondContact OD1-N 3.44Å; N375-A378 HydrophobicContact CB-CB 4.36Å; N375-A378 PolarHBondContact O-N 2.96Å; N375-A378 VanDerWaalsContact O-N 3.08Å; N375-A378 PolarHBondContact OD1-N 2.95Å
376	I	42.8	Very low	33	Very low	110 Å²	110	119.1 Å²	119.1	56%	0.564	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-59.6	-16.1	175.2	-68.5	170.6	0	0	0	110.8	V374 I379	V374-I376 VanDerWaalsContact C-N 3.35Å; V374-I376 PolarHBondContact O-N 3.48Å; I376-I379 HydrophobicContact CB-CD1 4.49Å; I376-I379 HydrophobicContact CG2-CD1 4.01Å; I376-I379 WeakPolarHBondContact O-CB 3.31Å; I376-I379 WeakPolarHBondContact O-CD1 3.18Å; I376-I379 WeakPolarHBondContact O-CG1 3.46Å; I376-I379 PolarHBondContact O-N 3.42Å
377	N	37.5	Very low	33.5	Very low	104 Å²	104	115.8 Å²	115.8	56%	0.556	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-94.7	-1.3	178.5	-60	-30	0	0	0	113.9	N375 I379	N375-N377 PolarHBondContact O-N 3.36Å; N375-N377 VanDerWaalsContact O-N 3.11Å; N375-N377 WeakPolarHBondContact OD1-CA 3.35Å; N375-N377 WeakPolarHBondContact OD1-CB 3.49Å; N375-N377 PolarHBondContact OD1-N 3.44Å; N377-I379 PolarHBondContact O-N 2.79Å
378	A	37.9	Very low	34	Very low	79 Å²	79	115.7 Å²	115.7	65%	0.653	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-77.7	0.5	161.2	0	0	0	0	0	112.4	N375 G380	N375-A378 HydrophobicContact CB-CB 4.36Å; N375-A378 PolarHBondContact O-N 2.96Å; N375-A378 VanDerWaalsContact O-N 3.08Å; N375-A378 PolarHBondContact OD1-N 2.95Å; A378-G380 PolarHBondContact O-N 3.41Å
379	I	33.5	Very low	34.4	Very low	49 Å²	49	113.7 Å²	113.7	25%	0.251	64%	0.64	S	S	.	*	S	Bend	trans	-75.7	105	165.8	-60.4	178.6	0	0	0	105.2	I376 N377 I381	I376-I379 HydrophobicContact CB-CD1 4.49Å; I376-I379 HydrophobicContact CG2-CD1 4.01Å; I376-I379 WeakPolarHBondContact O-CB 3.31Å; I376-I379 WeakPolarHBondContact O-CD1 3.18Å; I376-I379 WeakPolarHBondContact O-CG1 3.46Å; I376-I379 PolarHBondContact O-N 3.42Å; N377-I379 PolarHBondContact O-N 2.79Å; I379-I381 VanDerWaalsContact C-N 3.26Å; I379-I381 HydrophobicContact CB-CG1 4.15Å; I379-I381 HydrophobicContact CG2-CD1 4.12Å; I379-I381 HydrophobicContact CG2-CG1 3.46Å; I379-I381 VanDerWaalsContact CG2-CG1 3.46Å; I379-I381 WeakPolarHBondContact O-CG1 3.06Å; I379-I381 PolarHBondContact O-N 3.46Å
380	G	30.3	Very low	34.7	Very low	61 Å²	61	108.2 Å²	108.2	63%	0.629	63%	0.632	S	S	*	*			trans	-57.7	96.5	163.1	0	0	0	0	0	108.3	A378	A378-G380 PolarHBondContact O-N 3.41Å
381	I	36	Very low	35	Very low	79 Å²	79	109.9 Å²	109.9	41%	0.405	63%	0.629	S	S	.	*			trans	-92.7	125.2	173.2	-61.1	172.2	0	0	0	104.5	I379 S383	I379-I381 VanDerWaalsContact C-N 3.26Å; I379-I381 HydrophobicContact CB-CG1 4.15Å; I379-I381 HydrophobicContact CG2-CD1 4.12Å; I379-I381 HydrophobicContact CG2-CG1 3.46Å; I379-I381 VanDerWaalsContact CG2-CG1 3.46Å; I379-I381 WeakPolarHBondContact O-CG1 3.06Å; I379-I381 PolarHBondContact O-N 3.46Å; I381-S383 PolarHBondContact O-N 3.4Å
382	E	31.7	Very low	35	Very low	190 Å²	190	111.9 Å²	111.9	89%	0.888	63%	0.63	S	S	*	*			trans	-65.6	76.1	154.9	-72.4	175	162.3	0	0	106.5
383	S	32.5	Very low	35.1	Very low	73 Å²	73	111.4 Å²	111.4	51%	0.51	63%	0.625	S	S	.	*			trans	-80	134.8	175	54.1	0	0	0	0	107.3	I381	I381-S383 PolarHBondContact O-N 3.4Å
384	D	33.6	Very low	34.8	Very low	143 Å²	143	112.9 Å²	112.9	77%	0.765	63%	0.628	S	S	*	*	S	Bend	trans	104.3	-2.4	161.9	-50.1	-27.2	0	0	0	119
385	V	35.1	Very low	34.7	Very low	126 Å²	126	115.4 Å²	115.4	76%	0.764	64%	0.638	S	S	*	*	S	Bend	trans	-116.6	-25.9	-179.8	-164.9	0	0	0	0	115.1
386	A	36.3	Very low	34.4	Very low	60 Å²	60	119 Å²	119	50%	0.496	65%	0.649	S	S	.	*	S	Bend	trans	-89.1	-23.1	-173.3	0	0	0	0	0	115.3	R388	A386-R388 VanDerWaalsContact C-N 3.29Å; A386-R388 PolarHBondContact O-N 2.99Å
387	D	37.4	Very low	33.8	Very low	99 Å²	99	121 Å²	121	53%	0.529	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.1	-1.2	-175	-69.8	-22.2	0	0	0	113.6
388	R	37.9	Very low	33.5	Very low	199 Å²	199	122.4 Å²	122.4	75%	0.751	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-8.8	171	-77	-172.3	179.5	166.7	2	114.4	A386 G390 E391	A386-R388 VanDerWaalsContact C-N 3.29Å; A386-R388 PolarHBondContact O-N 2.99Å; R388-G390 PolarHBondContact O-N 3.06Å; R388-E391 PolarHBondContact O-N 3.49Å
389	E	36.6	Very low	33.1	Very low	146 Å²	146	121.6 Å²	121.6	68%	0.682	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-70.5	-8.9	175.5	-69.8	-168.3	155.6	0	0	113	E391 L392	E389-E391 PolarHBondContact O-N 3.04Å; E389-L392 PolarHBondContact O-N 3.38Å
390	G	36.6	Very low	32.9	Very low	64 Å²	64	127.1 Å²	127.1	66%	0.66	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-69.7	-8.8	172.5	0	0	0	0	0	115.3	R388	R388-G390 PolarHBondContact O-N 3.06Å
391	E	34.9	Very low	33.4	Very low	156 Å²	156	130.9 Å²	130.9	73%	0.729	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-92.5	6.5	175	-71.4	-174.3	159.4	0	0	113.7	R388 E389	R388-E391 PolarHBondContact O-N 3.49Å; E389-E391 PolarHBondContact O-N 3.04Å
392	L	31.2	Very low	33.5	Very low	148 Å²	148	132.6 Å²	132.6	78%	0.775	73%	0.727	S	S	*	*			trans	-121.8	76.2	175.7	-91.7	96.7	0	0	0	113.4	E389	E389-L392 PolarHBondContact O-N 3.38Å
393	M	30.9	Very low	34.4	Very low	141 Å²	141	125.5 Å²	125.5	70%	0.695	71%	0.705	S	S	*	*			trans	-145.3	70.2	132.2	-73.8	-153.7	-154	0	0	108.1	I395	M393-I395 PolarHBondContact O-N 3.39Å
394	D	28.4	Very low	35.5	Very low	155 Å²	155	123.8 Å²	123.8	83%	0.829	69%	0.69	S	S	*	*			trans	-62.6	90.9	151.7	-79.6	-23.3	0	0	0	106.8	K396	D394-K396 PolarHBondContact O-N 2.94Å
395	I	32.6	Very low	36.8	Very low	136 Å²	136	124.3 Å²	124.3	70%	0.697	69%	0.685	S	S	*	*			trans	-61.1	108.8	161.7	-62.4	175	0	0	0	104.3	M393 D397	M393-I395 PolarHBondContact O-N 3.39Å; I395-D397 PolarHBondContact O-N 3.15Å; I395-D397 VanDerWaalsContact O-N 3.15Å
396	K	28.8	Very low	38.3	Very low	182 Å²	182	119.6 Å²	119.6	79%	0.791	66%	0.655	S	S	*	*			trans	-42.3	125.5	174.4	-74.1	-176.8	177.8	-179.1	0	108.7	D394 N398	D394-K396 PolarHBondContact O-N 2.94Å; K396-N398 VanDerWaalsContact C-N 3.26Å; K396-N398 PolarHBondContact O-N 3.25Å
397	D	30.1	Very low	39.7	Very low	150 Å²	150	119 Å²	119	80%	0.802	65%	0.646	S	S	*	*			trans	-55.9	88.2	177.8	-151.3	7.6	0	0	0	109	I395 G399	I395-D397 PolarHBondContact O-N 3.15Å; I395-D397 VanDerWaalsContact O-N 3.15Å; D397-G399 PolarHBondContact O-N 3.41Å
398	N	30.2	Very low	41.2	Very low	135 Å²	135	118 Å²	118	72%	0.722	64%	0.637	S	S	*	*			trans	-78.8	81.1	168.4	-84.8	-8.9	0	0	0	106.1	K396 N400	K396-N398 VanDerWaalsContact C-N 3.26Å; K396-N398 PolarHBondContact O-N 3.25Å; N398-N400 VanDerWaalsContact C-N 3.3Å; N398-N400 PolarHBondContact O-N 3.28Å
399	G	30.3	Very low	42.7	Very low	61 Å²	61	110.6 Å²	110.6	63%	0.629	61%	0.612	S	S	*	*			trans	-57.7	91.4	169.6	0	0	0	0	0	110.6	D397	D397-G399 PolarHBondContact O-N 3.41Å
400	N	29.9	Very low	43.9	Very low	165 Å²	165	109.5 Å²	109.5	88%	0.882	62%	0.621	S	S	*	*			trans	160	77.3	155.2	-91.7	-18.8	0	0	0	108	N398	N398-N400 VanDerWaalsContact C-N 3.3Å; N398-N400 PolarHBondContact O-N 3.28Å
401	I	39.4	Very low	45.2	Very low	140 Å²	140	108 Å²	108	72%	0.718	60%	0.6	S	S	*	*			trans	-122.3	116.7	165.3	-55.3	178.1	0	0	0	106.6	G403	I401-G403 PolarHBondContact O-N 3.43Å
402	A	39.7	Very low	46.5	Very low	116 Å²	116	101.1 Å²	101.1	96%	0.959	57%	0.569	S	S	*	*			trans	-61.9	82.1	175.4	0	0	0	0	0	110.4
403	G	50.4	Low	47.9	Very low	41 Å²	41	96.6 Å²	96.6	42%	0.423	55%	0.548	S	S	.	.			trans	-120.4	163.4	176.6	0	0	0	0	0	111.4	I401	I401-G403 PolarHBondContact O-N 3.43Å
404	I	56	Low	49.2	Very low	37 Å²	37	97.5 Å²	97.5	19%	0.19	56%	0.556	C	S	.	*			trans	-56.2	140.4	-178	-53.1	163	0	0	0	110.6	Q278 V301 L406	Q278-I404 HydrophobicContact CB-CD1 4.2Å; Q278-I404 HydrophobicContact CG-CD1 3.37Å; Q278-I404 HydrophobicContact CG-CG1 4.49Å; V301-I404 HydrophobicContact CG2-CD1 4.46Å; V301-I404 HydrophobicContact CG2-CG2 4.33Å; I404-L406 PolarHBondContact O-N 3.01Å
405	K	60.4	Low	50.9	Low	154 Å²	154	94.2 Å²	94.2	67%	0.67	54%	0.538	S	S	*	.			trans	-65.2	105.4	166.9	-113	179.2	176.1	175.9	0	109.3	V300	V300-K405 WeakPolarHBondContact CB-O 3.4Å; V300-K405 HydrophobicContact CG1-CB 3.73Å; V300-K405 WeakPolarHBondContact CG1-O 3.38Å
406	L	66.3	Low	52.1	Low	26 Å²	26	92.5 Å²	92.5	14%	0.136	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.9	165.7	-77.1	159	0	0	0	108.4	H269 A272 V301 L303 I404 L424	H269-L406 HydrophobicContact CB-CD1 4.48Å; H269-L406 VanDerWaalsContact CE1-CD1 3.42Å; H269-L406 WeakPolarHBondContact CE1-CD1 3.43Å; H269-L406 WeakPolarHBondContact ND1-CD1 3.37Å; A272-L406 HydrophobicContact CB-CD1 4.09Å; A272-L406 HydrophobicContact CB-CD2 4.2Å; V301-L406 HydrophobicContact CB-CD2 3.75Å; V301-L406 HydrophobicContact CG1-CD2 3.79Å; L303-L406 HydrophobicContact CD1-CB 3.87Å; L303-L406 HydrophobicContact CD1-CD1 4.46Å; L303-L406 HydrophobicContact CD1-CD2 4.1Å; L303-L406 HydrophobicContact CD1-CG 4.37Å; L303-L406 HydrophobicContact CG-CD2 4.14Å; I404-L406 PolarHBondContact O-N 3.01Å; L406-L424 HydrophobicContact CD2-CD2 4.17Å
407	V	65.6	Low	53.5	Low	48 Å²	48	92.5 Å²	92.5	29%	0.291	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.6	-178.8	178.5	0	0	0	0	108.6	I286 V300 V301 K302 L303	I286-V407 HydrophobicContact CD1-CG1 4.33Å; I286-V407 HydrophobicContact CD1-CG2 4.49Å; V300-V407 HydrophobicContact CB-CB 4.5Å; V300-V407 HydrophobicContact CB-CG2 3.72Å; V300-V407 HydrophobicContact CG1-CG2 3.68Å; V300-V407 HydrophobicContact CG2-CG2 4.06Å; V301-V407 PolarHBondContact O-N 2.79Å; K302-V407 CarbonylContact C-O 3.59Å; K302-V407 WeakPolarHBondContact CA-O 3.36Å; L303-V407 PolarHBondContact N-O 3.08Å
408	F	69.1	Low	54.9	Low	77 Å²	77	88.6 Å²	88.6	34%	0.338	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.4	173.6	-64.6	-73.8	0	0	0	109.8	L303 V412 L422	L303-F408 HydrophobicContact CB-CD1 3.92Å; L303-F408 HydrophobicContact CB-CE1 4.19Å; L303-F408 HydrophobicContact CD1-CD1 4.01Å; L303-F408 HydrophobicContact CD1-CE1 3.51Å; L303-F408 HydrophobicContact CD1-CZ 3.97Å; L303-F408 HydrophobicContact CG-CE1 4.48Å; F408-V412 HydrophobicContact CB-CB 4.25Å; F408-V412 HydrophobicContact CB-CG2 4.45Å; F408-V412 HydrophobicContact CD1-CB 4.22Å; F408-V412 HydrophobicContact CD1-CG1 3.84Å; F408-V412 HydrophobicContact CD1-CG2 4.25Å; F408-L422 HydrophobicContact CE1-CD1 4.28Å
409	D	69.5	Low	56.5	Low	45 Å²	45	88.6 Å²	88.6	24%	0.241	53%	0.525	C	S	.	.			trans	-66.6	154.8	167.2	-175.9	51.8	0	0	0	110.1	L303 Y304 S411 V412	L303-D409 WeakPolarHBondContact O-CB 3.37Å; L303-D409 PolarHBondContact O-N 3.3Å; Y304-D409 HydrophobicContact CD1-CB 4.03Å; D409-S411 PolarHBondContact O-N 2.65Å; D409-S411 WeakPolarHBondContact OD2-CB 3.02Å; D409-S411 PolarHBondContact OD2-N 2.87Å; D409-S411 PolarHBondContact OD2-OG 3Å; D409-V412 PolarHBondContact O-N 3.49Å
410	S	62	Low	58.4	Low	123 Å²	123	86.7 Å²	86.7	86%	0.86	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.2	-179	56.2	0	0	0	0	113.5	V412	S410-V412 VanDerWaalsContact C-N 3.34Å
411	S	63.8	Low	60.8	Low	33 Å²	33	81.7 Å²	81.7	23%	0.231	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.8	176.5	63.5	0	0	0	0	115.2	N305 S308 D409	N305-S411 VanDerWaalsContact CB-O 3.24Å; N305-S411 WeakPolarHBondContact CB-O 3.44Å; N305-S411 PolarHBondContact ND2-O 3.19Å; S308-S411 VanDerWaalsContact OG-CB 3.26Å; S308-S411 WeakPolarHBondContact OG-CB 3.04Å; S308-S411 PolarHBondContact OG-OG 3.46Å; D409-S411 PolarHBondContact O-N 2.65Å; D409-S411 WeakPolarHBondContact OD2-CB 3.02Å; D409-S411 PolarHBondContact OD2-N 2.87Å; D409-S411 PolarHBondContact OD2-OG 3Å
412	V	61.9	Low	63	Low	11 Å²	11	75 Å²	75	7%	0.067	44%	0.444	C	S	.	.	S	Bend	trans	-87.1	125.2	179.3	-176.3	0	0	0	0	110.1	L303 N305 F408 D409 S410 N414 L422	L303-V412 WeakPolarHBondContact O-CG2 3.41Å; N305-V412 HydrophobicContact CB-CG2 4.21Å; F408-V412 HydrophobicContact CB-CB 4.25Å; F408-V412 HydrophobicContact CB-CG2 4.45Å; F408-V412 HydrophobicContact CD1-CB 4.22Å; F408-V412 HydrophobicContact CD1-CG1 3.84Å; F408-V412 HydrophobicContact CD1-CG2 4.25Å; D409-V412 PolarHBondContact O-N 3.49Å; S410-V412 VanDerWaalsContact C-N 3.34Å; V412-N414 PolarHBondContact O-N 3.46Å; V412-L422 HydrophobicContact CG1-CD2 3.74Å; V412-L422 HydrophobicContact CG2-CD2 4.16Å
413	P	61.3	Low	65.2	Low	52 Å²	52	69.5 Å²	69.5	34%	0.338	40%	0.399	S	S	.	.			trans	-59	131.3	174.1	-21	31.7	0	0	0	111.1	D415	P413-D415 PolarHBondContact O-N 3.29Å
414	N	58.6	Low	66.9	Low	160 Å²	160	67.6 Å²	67.6	86%	0.856	38%	0.379	S	S	*	.	S	Bend	trans	-68.9	-15.4	177.8	-78.5	-23.9	0	0	0	113.2	V412 P416	V412-N414 PolarHBondContact O-N 3.46Å; N414-P416 WeakPolarHBondContact O-CD 3.36Å
415	D	62.7	Low	68.5	Low	86 Å²	86	67.1 Å²	67.1	46%	0.46	38%	0.376	S	S	.	.			trans	-82.9	116.8	-179.7	-168.4	-11.9	0	0	0	111.4	P413 K417 T418	P413-D415 PolarHBondContact O-N 3.29Å; D415-K417 PolarHBondContact O-N 3.28Å; D415-K417 VanDerWaalsContact O-N 3.17Å; D415-K417 WeakPolarHBondContact OD1-CB 3.31Å; D415-K417 PolarHBondContact OD1-N 2.63Å; D415-T418 PolarHBondContact O-N 3.25Å; D415-T418 PolarHBondContact O-OG1 3.11Å
416	P	58.4	Low	69.8	Low	100 Å²	100	60 Å²	60	65%	0.649	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.6	176.9	26.6	-34.1	0	0	0	114.1	N414	N414-P416 WeakPolarHBondContact O-CD 3.36Å
417	K	57.3	Low	70.9	Confident	183 Å²	183	61.7 Å²	61.7	80%	0.796	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.9	180	-66.8	-177.2	179.6	178	0	114.3	D415 P419	D415-K417 PolarHBondContact O-N 3.28Å; D415-K417 VanDerWaalsContact O-N 3.17Å; D415-K417 WeakPolarHBondContact OD1-CB 3.31Å; D415-K417 PolarHBondContact OD1-N 2.63Å; K417-P419 WeakPolarHBondContact O-CD 3.35Å
418	T	60.9	Low	71.8	Confident	67 Å²	67	61.8 Å²	61.8	41%	0.411	35%	0.352	S	S	.	.	S	Bend	trans	-77.2	120.5	174.2	30.1	0	0	0	0	109.9	D415 A420	D415-T418 PolarHBondContact O-N 3.25Å; D415-T418 PolarHBondContact O-OG1 3.11Å; T418-A420 PolarHBondContact O-N 3.14Å
419	P	62.3	Low	72.5	Confident	135 Å²	135	63.4 Å²	63.4	88%	0.877	36%	0.364	S	S	*	.			trans	-66.7	97	176.5	27.6	-33.3	0	0	0	109	K417	K417-P419 WeakPolarHBondContact O-CD 3.35Å
420	A	70.5	Confident	73.3	Confident	21 Å²	21	64.2 Å²	64.2	17%	0.174	37%	0.366	C	S	.	.			trans	-105.6	129.5	175	0	0	0	0	0	109.1	T418 L422	T418-A420 PolarHBondContact O-N 3.14Å; A420-L422 PolarHBondContact O-N 2.88Å
421	V	81.3	Confident	74.4	Confident	60 Å²	60	59.1 Å²	59.1	36%	0.364	33%	0.329	S	S	.	.			trans	-78.2	117.6	168.8	-179.1	0	0	0	0	107.2	E261 A306	E261-V421 HydrophobicContact CB-CG1 3.97Å; A306-V421 HydrophobicContact CB-CB 3.88Å; A306-V421 HydrophobicContact CB-CG1 3.73Å; A306-V421 WeakPolarHBondContact CB-O 3.45Å; A306-V421 PolarHBondContact N-O 3.23Å
422	L	84.8	Confident	75.4	Confident	1 Å²	1	60 Å²	60	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	148.5	178.7	-64.8	-178.6	0	0	0	110.2	E261 S262 R265 L268 L303 Y304 F408 V412 A420	E261-L422 CarbonylContact C-O 3.59Å; E261-L422 VanDerWaalsContact CA-O 3.28Å; E261-L422 WeakPolarHBondContact CA-O 3.46Å; S262-L422 PolarHBondContact N-O 3.38Å; S262-L422 PolarHBondContact O-N 3.15Å; R265-L422 HydrophobicContact CB-CD1 4.17Å; R265-L422 HydrophobicContact CG-CD1 3.64Å; L268-L422 HydrophobicContact CD1-CB 3.55Å; L303-L422 HydrophobicContact CD2-CB 4.36Å; L303-L422 HydrophobicContact CD2-CD1 4.46Å; Y304-L422 CarbonylContact O-C 3.58Å; Y304-L422 WeakPolarHBondContact O-CA 3.45Å; F408-L422 HydrophobicContact CE1-CD1 4.28Å; V412-L422 HydrophobicContact CG1-CD2 3.74Å; V412-L422 HydrophobicContact CG2-CD2 4.16Å; A420-L422 PolarHBondContact O-N 2.88Å
423	A	85.7	Confident	76.6	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.4	-178.3	0	0	0	0	0	112	F259 V260 E261 Y304 A306 L309	F259-A423 HydrophobicContact CB-CB 4.29Å; F259-A423 HydrophobicContact CD1-CB 4.28Å; V260-A423 CarbonylContact O-C 3.55Å; V260-A423 WeakPolarHBondContact O-CA 3.43Å; E261-A423 HydrophobicContact CG-CB 3.99Å; Y304-A423 PolarHBondContact N-O 3.38Å; Y304-A423 PolarHBondContact O-N 3.23Å; A306-A423 HydrophobicContact CB-CB 4.4Å; L309-A423 HydrophobicContact CD1-CB 3.83Å
424	L	87.1	Confident	77.9	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.9	172.8	-71	173.4	0	0	0	110.2	F259 V260 L268 A272 L281 V301 L303 L406	F259-L424 CarbonylContact C-O 3.48Å; F259-L424 WeakPolarHBondContact CA-O 3.03Å; V260-L424 PolarHBondContact N-O 2.92Å; V260-L424 PolarHBondContact O-N 3.44Å; L268-L424 HydrophobicContact CB-CD1 4.35Å; L268-L424 HydrophobicContact CD2-CD1 4.01Å; A272-L424 HydrophobicContact CB-CD1 4.34Å; L281-L424 HydrophobicContact CD1-CD1 4.42Å; L281-L424 HydrophobicContact CD2-CB 4.15Å; V301-L424 HydrophobicContact CG1-CD2 3.62Å; L303-L424 HydrophobicContact CD2-CD2 3.42Å; L303-L424 VanDerWaalsContact CD2-CD2 3.42Å; L303-L424 HydrophobicContact CD2-CG 3.89Å; L303-L424 HydrophobicContact CG-CD2 4Å; L406-L424 HydrophobicContact CD2-CD2 4.17Å
425	E	88.9	Confident	79.2	Confident	26 Å²	26	52.7 Å²	52.7	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.1	178.6	-168	-179.5	158.2	0	0	111.9	R257 F259 N282 Y304	R257-E425 WeakPolarHBondContact CD-OE1 3.16Å; R257-E425 IonicContact NH1-OE1 3.09Å; R257-E425 IonicContact NH1-OE2 2.86Å; F259-E425 HydrophobicContact CD1-CB 3.94Å; F259-E425 HydrophobicContact CD1-CG 4.3Å; F259-E425 HydrophobicContact CE1-CB 3.7Å; F259-E425 HydrophobicContact CE1-CG 3.8Å; F259-E425 HydrophobicContact CZ-CG 4.23Å; N282-E425 HydrophobicContact CB-CB 4.27Å; N282-E425 HydrophobicContact CB-CG 4.16Å; N282-E425 PolarHBondContact N-O 2.94Å; N282-E425 PolarHBondContact ND2-OE1 3.01Å; Y304-E425 HydrophobicContact CE2-CB 3.98Å; Y304-E425 PolarHBondContact OH-OE2 2.87Å
426	V	88.7	Confident	80.3	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143	-174.3	-178.1	0	0	0	0	110.9	Y258 V260 L281 I431 L434	Y258-V426 PolarHBondContact O-N 2.82Å; V260-V426 HydrophobicContact CG2-CG2 3.74Å; L281-V426 HydrophobicContact CD2-CG2 4.13Å; V426-I431 HydrophobicContact CG1-CG1 4.31Å; V426-L434 HydrophobicContact CB-CD2 4.29Å; V426-L434 HydrophobicContact CG1-CD2 3.56Å; V426-L434 HydrophobicContact CG2-CD2 3.7Å
427	N	87.9	Confident	81.7	Confident	62 Å²	62	52 Å²	52	33%	0.332	26%	0.264	S	S	.	.			trans	-71.4	126.4	171.2	-173.5	-14	0	0	0	111.5	C280 D429 Q430	C280-N427 PolarHBondContact O-N 3.42Å; N427-D429 VanDerWaalsContact C-N 3.31Å; N427-D429 PolarHBondContact O-N 3.28Å; N427-D429 PolarHBondContact OD1-N 2.99Å; N427-Q430 HydrophobicContact CB-CB 4.4Å; N427-Q430 HydrophobicContact CB-CG 4.34Å; N427-Q430 PolarHBondContact O-N 3.37Å; N427-Q430 VanDerWaalsContact O-N 3.11Å
428	Q	84.3	Confident	83.1	Confident	49 Å²	49	43.3 Å²	43.3	23%	0.229	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-55.9	-40.1	-178.4	-179.4	177.2	-7.7	0	0	113.7	Y258 Q430 I431 T611 Q614	Y258-Q428 HydrophobicContact CD2-CB 4.32Å; Y258-Q428 HydrophobicContact CD2-CG 4.32Å; Y258-Q428 HydrophobicContact CE2-CG 4.01Å; Q428-Q430 PolarHBondContact O-N 3.31Å; Q428-I431 HydrophobicContact CB-CD1 4.48Å; Q428-I431 HydrophobicContact CG-CD1 4.3Å; Q428-I431 WeakPolarHBondContact O-CD1 3.49Å; Q428-I431 WeakPolarHBondContact O-CG1 3.27Å; Q428-I431 PolarHBondContact O-N 3.29Å; Q428-T611 PolarHBondContact NE2-O 3.08Å; Q428-Q614 VanDerWaalsContact NE2-CG 3.32Å
429	D	84.6	Confident	84.2	Confident	111 Å²	111	41.4 Å²	41.4	59%	0.594	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-70.8	-17.8	-176.8	-68.5	-31.5	0	0	0	112.8	N427	N427-D429 VanDerWaalsContact C-N 3.31Å; N427-D429 PolarHBondContact O-N 3.28Å; N427-D429 PolarHBondContact OD1-N 2.99Å
430	Q	86.3	Confident	85.2	Confident	62 Å²	62	40.1 Å²	40.1	29%	0.29	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-106.5	7.1	-174.5	-59.3	-63.2	-52.3	0	0	113.1	C280 N427 Q428 E432 I433 L434	C280-Q430 HydrophobicContact CB-CB 3.95Å; N427-Q430 HydrophobicContact CB-CB 4.4Å; N427-Q430 HydrophobicContact CB-CG 4.34Å; N427-Q430 PolarHBondContact O-N 3.37Å; N427-Q430 VanDerWaalsContact O-N 3.11Å; Q428-Q430 PolarHBondContact O-N 3.31Å; Q430-E432 VanDerWaalsContact C-N 3.29Å; Q430-E432 PolarHBondContact O-N 2.92Å; Q430-I433 PolarHBondContact O-N 3.1Å; Q430-L434 PolarHBondContact O-N 3.27Å
431	I	85.5	Confident	85.8	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-39.5	-178.8	-68.7	170	0	0	0	111.8	L251 Y258 V426 Q428 I433 L434 Q435	L251-I431 HydrophobicContact CD2-CG2 4.03Å; Y258-I431 HydrophobicContact CD1-CD1 3.74Å; Y258-I431 HydrophobicContact CD2-CD1 3.35Å; Y258-I431 HydrophobicContact CE1-CD1 3.87Å; Y258-I431 HydrophobicContact CE2-CD1 3.48Å; Y258-I431 VanDerWaalsContact CE2-CD1 3.48Å; Y258-I431 HydrophobicContact CG-CD1 3.46Å; Y258-I431 VanDerWaalsContact CG-CD1 3.46Å; Y258-I431 HydrophobicContact CG-CG1 4.43Å; V426-I431 HydrophobicContact CG1-CG1 4.31Å; Q428-I431 HydrophobicContact CB-CD1 4.48Å; Q428-I431 HydrophobicContact CG-CD1 4.3Å; Q428-I431 WeakPolarHBondContact O-CD1 3.49Å; Q428-I431 WeakPolarHBondContact O-CG1 3.27Å; Q428-I431 PolarHBondContact O-N 3.29Å; I431-I433 VanDerWaalsContact C-N 3.35Å; I431-I433 PolarHBondContact O-N 3.46Å; I431-L434 PolarHBondContact O-N 3.32Å; I431-Q435 HydrophobicContact CG2-CG 4.16Å; I431-Q435 WeakPolarHBondContact O-CB 3.38Å; I431-Q435 WeakPolarHBondContact O-CG 3.18Å; I431-Q435 PolarHBondContact O-N 3.1Å
432	E	83.8	Confident	85.7	Confident	51 Å²	51	42.5 Å²	42.5	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-59.9	-47.2	179.4	-174.8	-179.7	173.7	0	0	111	Q430 L434 Q435 R436 R607 F637 L638	Q430-E432 VanDerWaalsContact C-N 3.29Å; Q430-E432 PolarHBondContact O-N 2.92Å; E432-L434 VanDerWaalsContact C-N 3.35Å; E432-Q435 PolarHBondContact O-N 3.15Å; E432-R436 WeakPolarHBondContact O-CB 3.07Å; E432-R436 PolarHBondContact O-N 3Å; E432-R607 IonicContact OE1-NH1 3.34Å; E432-R607 PolarHBondContact OE1-NH1 3.18Å; E432-F637 HydrophobicContact CG-CE2 3.95Å; E432-L638 HydrophobicContact CG-CD2 4.07Å
433	I	87	Confident	85.6	Confident	52 Å²	52	43.1 Å²	43.1	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-66	-41.4	-179.7	-67.2	160.5	0	0	0	110.1	T276 Q430 I431 R437	T276-I433 HydrophobicContact CG2-CG2 3.83Å; Q430-I433 PolarHBondContact O-N 3.1Å; I431-I433 VanDerWaalsContact C-N 3.35Å; I431-I433 PolarHBondContact O-N 3.46Å; I433-R437 VanDerWaalsContact O-CB 3.31Å; I433-R437 WeakPolarHBondContact O-CB 3.48Å; I433-R437 PolarHBondContact O-N 3.4Å
434	L	89	Confident	85.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-50.9	175	177.6	66.6	0	0	0	111.7	V260 V277 C280 V426 Q430 I431 E432 R436 R437 C438 L445	V260-L434 HydrophobicContact CG2-CD2 3.91Å; V277-L434 HydrophobicContact CB-CD1 4.29Å; V277-L434 HydrophobicContact CG1-CD1 3.69Å; V277-L434 HydrophobicContact CG2-CD1 4.03Å; C280-L434 HydrophobicContact CB-CB 4.18Å; C280-L434 HydrophobicContact CB-CD1 4.49Å; V426-L434 HydrophobicContact CB-CD2 4.29Å; V426-L434 HydrophobicContact CG1-CD2 3.56Å; V426-L434 HydrophobicContact CG2-CD2 3.7Å; Q430-L434 PolarHBondContact O-N 3.27Å; I431-L434 PolarHBondContact O-N 3.32Å; E432-L434 VanDerWaalsContact C-N 3.35Å; L434-R436 PolarHBondContact O-N 3.21Å; L434-R437 PolarHBondContact O-N 2.96Å; L434-C438 WeakPolarHBondContact O-CB 3.1Å; L434-C438 PolarHBondContact O-N 3.23Å; L434-C438 PolarHBondContact O-SG 2.6Å; L434-L445 HydrophobicContact CD2-CD1 3.97Å; L434-L445 HydrophobicContact CG-CD1 3.97Å
435	Q	87.1	Confident	85.3	Confident	18 Å²	18	44.6 Å²	44.6	8%	0.084	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-44.5	-179.1	-73.9	-178.1	-56.9	0	0	111.6	L251 I431 E432 C438 I439 L445 F637	L251-Q435 HydrophobicContact CD2-CG 4.44Å; I431-Q435 HydrophobicContact CG2-CG 4.16Å; I431-Q435 WeakPolarHBondContact O-CB 3.38Å; I431-Q435 WeakPolarHBondContact O-CG 3.18Å; I431-Q435 PolarHBondContact O-N 3.1Å; E432-Q435 PolarHBondContact O-N 3.15Å; Q435-C438 PolarHBondContact O-N 2.79Å; Q435-I439 WeakPolarHBondContact O-CG1 3.38Å; Q435-I439 PolarHBondContact O-N 3.18Å; Q435-I439 VanDerWaalsContact O-N 3.14Å; Q435-L445 HydrophobicContact CG-CD1 4.33Å; Q435-F637 PolarHBondContact NE2-O 3.42Å; Q435-F637 PolarHBondContact OE1-O 3.43Å
436	R	85.5	Confident	84.9	Confident	109 Å²	109	44.2 Å²	44.2	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-47.8	175.3	-176.7	177.5	64.7	-158.5	-2.3	111.2	E432 L434 C438 I439 E440	E432-R436 WeakPolarHBondContact O-CB 3.07Å; E432-R436 PolarHBondContact O-N 3Å; L434-R436 PolarHBondContact O-N 3.21Å; R436-C438 PolarHBondContact O-N 3.17Å; R436-I439 PolarHBondContact O-N 2.83Å; R436-E440 PolarHBondContact O-N 2.94Å
437	R	88.2	Confident	84.6	Confident	63 Å²	63	45.4 Å²	45.4	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-41.8	179.7	-174.2	61.5	178.7	157.9	5.8	112.3	D274 T276 V277 I433 L434 I439 E440 L441	D274-R437 IonicContact OD1-CZ 3.91Å; D274-R437 IonicContact OD1-NE 3.15Å; D274-R437 PolarHBondContact OD1-NE 3.08Å; D274-R437 IonicContact OD1-NH2 3.85Å; D274-R437 IonicContact OD2-CZ 3.48Å; D274-R437 IonicContact OD2-NE 2.66Å; D274-R437 PolarHBondContact OD2-NE 3.32Å; D274-R437 IonicContact OD2-NH2 2.77Å; D274-R437 PolarHBondContact OD2-NH2 3.42Å; T276-R437 HydrophobicContact CG2-CB 4.23Å; T276-R437 HydrophobicContact CG2-CG 4.04Å; V277-R437 HydrophobicContact CG2-CG 3.89Å; I433-R437 VanDerWaalsContact O-CB 3.31Å; I433-R437 WeakPolarHBondContact O-CB 3.48Å; I433-R437 PolarHBondContact O-N 3.4Å; L434-R437 PolarHBondContact O-N 2.96Å; R437-I439 PolarHBondContact O-N 2.91Å; R437-E440 WeakPolarHBondContact CD-OE2 3.13Å; R437-E440 IonicContact CZ-OE2 3.82Å; R437-E440 IonicContact NH1-OE2 2.87Å; R437-E440 PolarHBondContact NH1-OE2 3.14Å; R437-E440 WeakPolarHBondContact O-CB 3.45Å; R437-E440 PolarHBondContact O-N 2.85Å; R437-L441 HydrophobicContact CG-CD1 4.23Å; R437-L441 WeakPolarHBondContact O-CG 2.95Å; R437-L441 PolarHBondContact O-N 3.19Å
438	C	86.6	Confident	84.3	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-34.5	176.1	-75.7	0	0	0	0	112.4	L434 Q435 R436 L441 E442 V443 L445	L434-C438 WeakPolarHBondContact O-CB 3.1Å; L434-C438 PolarHBondContact O-N 3.23Å; L434-C438 PolarHBondContact O-SG 2.6Å; Q435-C438 PolarHBondContact O-N 2.79Å; R436-C438 PolarHBondContact O-N 3.17Å; C438-L441 CarbonylContact O-C 3.21Å; C438-L441 PolarHBondContact O-N 3.41Å; C438-E442 PolarHBondContact O-N 3.22Å; C438-V443 WeakPolarHBondContact CB-O 2.98Å; C438-V443 CarbonylContact O-C 3.4Å; C438-V443 VanDerWaalsContact O-C 3.26Å; C438-V443 PolarHBondContact O-N 3.29Å; C438-L445 HydrophobicContact CB-CD1 4.38Å; C438-L445 HydrophobicContact CB-CG 3.99Å
439	I	82.7	Confident	84.4	Confident	26 Å²	26	42.1 Å²	42.1	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-72.6	-40.6	175.3	-69.8	164.1	0	0	0	111.7	Y204 Q435 R436 R437 L441 E442 P444 F637	Y204-I439 HydrophobicContact CE1-CD1 4.1Å; Y204-I439 HydrophobicContact CE1-CG2 4.49Å; Q435-I439 WeakPolarHBondContact O-CG1 3.38Å; Q435-I439 PolarHBondContact O-N 3.18Å; Q435-I439 VanDerWaalsContact O-N 3.14Å; R436-I439 PolarHBondContact O-N 2.83Å; R437-I439 PolarHBondContact O-N 2.91Å; I439-L441 PolarHBondContact O-N 3.42Å; I439-E442 WeakPolarHBondContact O-CA 3.41Å; I439-E442 PolarHBondContact O-N 3.36Å; I439-P444 HydrophobicContact CG1-CB 4.28Å; I439-F637 HydrophobicContact CD1-CB 3.18Å; I439-F637 HydrophobicContact CD1-CD1 4.45Å; I439-F637 HydrophobicContact CD1-CG 4.16Å
440	E	83.5	Confident	84.4	Confident	109 Å²	109	39.5 Å²	39.5	51%	0.509	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-35.3	173	-68.5	168.7	-166.3	0	0	112	R436 R437 E442	R436-E440 PolarHBondContact O-N 2.94Å; R437-E440 WeakPolarHBondContact CD-OE2 3.13Å; R437-E440 IonicContact CZ-OE2 3.82Å; R437-E440 IonicContact NH1-OE2 2.87Å; R437-E440 PolarHBondContact NH1-OE2 3.14Å; R437-E440 WeakPolarHBondContact O-CB 3.45Å; R437-E440 PolarHBondContact O-N 2.85Å; E440-E442 PolarHBondContact O-N 3.22Å
441	L	83.9	Confident	84.4	Confident	65 Å²	65	37.3 Å²	37.3	34%	0.34	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	3.4	173.2	-65	174.7	0	0	0	113.2	L271 D274 R437 C438 I439 V443	L271-L441 HydrophobicContact CD1-CD1 4.14Å; D274-L441 HydrophobicContact CB-CD1 4.32Å; R437-L441 HydrophobicContact CG-CD1 4.23Å; R437-L441 WeakPolarHBondContact O-CG 2.95Å; R437-L441 PolarHBondContact O-N 3.19Å; C438-L441 CarbonylContact O-C 3.21Å; C438-L441 PolarHBondContact O-N 3.41Å; I439-L441 PolarHBondContact O-N 3.42Å; L441-V443 PolarHBondContact O-N 3.3Å
442	E	79.8	Confident	84.3	Confident	65 Å²	65	44.5 Å²	44.5	30%	0.304	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	21	-179.8	-49.9	-177.4	155.1	0	0	114.7	R109 S245 C438 I439 E440 P444	R109-E442 IonicContact CZ-OE1 3.95Å; R109-E442 IonicContact CZ-OE2 2.67Å; R109-E442 IonicContact NE-OE1 3.21Å; R109-E442 IonicContact NH2-OE1 3.94Å; R109-E442 PolarHBondContact NH2-OE1 2.83Å; R109-E442 IonicContact NH2-OE2 3.2Å; R109-E442 PolarHBondContact NH2-OE2 3.04Å; S245-E442 WeakPolarHBondContact CB-O 3.28Å; S245-E442 PolarHBondContact OG-O 3.24Å; C438-E442 PolarHBondContact O-N 3.22Å; I439-E442 WeakPolarHBondContact O-CA 3.41Å; I439-E442 PolarHBondContact O-N 3.36Å; E440-E442 PolarHBondContact O-N 3.22Å; E442-P444 WeakPolarHBondContact O-CD 3.33Å
443	V	81.6	Confident	84.1	Confident	15 Å²	15	48.4 Å²	48.4	9%	0.091	23%	0.225	C	C	.	.			trans	-122.9	78.3	176.9	-168.8	0	0	0	0	110.2	K248 F267 C438 L441	K248-V443 HydrophobicContact CB-CG1 4.03Å; F267-V443 HydrophobicContact CE1-CG1 4.01Å; F267-V443 HydrophobicContact CE2-CB 3.92Å; F267-V443 HydrophobicContact CE2-CG1 3.66Å; F267-V443 HydrophobicContact CE2-CG2 3.65Å; F267-V443 HydrophobicContact CZ-CB 3.74Å; F267-V443 HydrophobicContact CZ-CG1 3.26Å; F267-V443 HydrophobicContact CZ-CG2 4.04Å; C438-V443 WeakPolarHBondContact CB-O 2.98Å; C438-V443 CarbonylContact O-C 3.4Å; C438-V443 VanDerWaalsContact O-C 3.26Å; C438-V443 PolarHBondContact O-N 3.29Å; L441-V443 PolarHBondContact O-N 3.3Å
444	P	83	Confident	83.9	Confident	13 Å²	13	47.3 Å²	47.3	8%	0.084	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-64.5	139.8	-177.8	29.4	-37.1	0	0	0	111.3	Y207 Y246 I439 E442	Y207-P444 HydrophobicContact CD1-CG 3.92Å; Y207-P444 HydrophobicContact CD2-CB 4.3Å; Y207-P444 HydrophobicContact CD2-CG 3.75Å; Y207-P444 HydrophobicContact CE1-CG 3.86Å; Y207-P444 HydrophobicContact CE2-CB 4.32Å; Y207-P444 HydrophobicContact CE2-CG 3.76Å; Y207-P444 HydrophobicContact CG-CG 3.87Å; Y246-P444 HydrophobicContact CD2-CG 4.02Å; I439-P444 HydrophobicContact CG1-CB 4.28Å; E442-P444 WeakPolarHBondContact O-CD 3.33Å
445	L	84.2	Confident	83.4	Confident	19 Å²	19	58.7 Å²	58.7	10%	0.099	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-79.6	126.5	177.7	-63.6	176.4	0	0	0	110.8	A249 L251 V260 L434 Q435 C438	A249-L445 HydrophobicContact CB-CD2 3.72Å; L251-L445 HydrophobicContact CB-CB 4.08Å; L251-L445 HydrophobicContact CB-CD1 4.34Å; V260-L445 HydrophobicContact CG1-CD2 3.93Å; V260-L445 HydrophobicContact CG2-CD1 4.23Å; V260-L445 HydrophobicContact CG2-CD2 4.28Å; L434-L445 HydrophobicContact CD2-CD1 3.97Å; L434-L445 HydrophobicContact CG-CD1 3.97Å; Q435-L445 HydrophobicContact CG-CD1 4.33Å; C438-L445 HydrophobicContact CB-CD1 4.38Å; C438-L445 HydrophobicContact CB-CG 3.99Å
446	L	80.3	Confident	83	Confident	18 Å²	18	61.4 Å²	61.4	9%	0.094	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-80.9	126.3	175.6	-57	-167.5	0	0	0	112.3	Y246 A249 K250 L251	Y246-L446 HydrophobicContact CD2-CD2 4.03Å; Y246-L446 HydrophobicContact CE1-CD1 4Å; Y246-L446 HydrophobicContact CE1-CD2 3.83Å; Y246-L446 HydrophobicContact CE2-CD2 3.25Å; Y246-L446 WeakPolarHBondContact OH-CD2 3.43Å; A249-L446 PolarHBondContact O-N 2.97Å; A249-L446 VanDerWaalsContact O-N 3.08Å; K250-L446 CarbonylContact C-O 3.56Å; K250-L446 VanDerWaalsContact CA-O 3.31Å; K250-L446 WeakPolarHBondContact CA-O 3.47Å; K250-L446 HydrophobicContact CB-CB 4.45Å; K250-L446 HydrophobicContact CG-CB 4.18Å; L251-L446 PolarHBondContact N-O 2.78Å
447	T	81.9	Confident	82.9	Confident	30 Å²	30	56.6 Å²	56.6	18%	0.184	27%	0.271	C	S	.	.			trans	-106.4	83.1	171.3	51.9	0	0	0	0	109.8	L251 S489	L251-T447 HydrophobicContact CB-CG2 4.06Å; L251-T447 HydrophobicContact CD2-CG2 4.07Å; L251-T447 HydrophobicContact CG-CG2 4.45Å; T447-S489 PolarHBondContact O-N 2.64Å; T447-S489 PolarHBondContact O-OG 3.3Å; T447-S489 WeakPolarHBondContact OG1-CB 3.08Å
448	E	82.4	Confident	82.7	Confident	31 Å²	31	61.3 Å²	61.3	15%	0.145	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.8	171.9	-59	-168.2	133.1	0	0	109.7	K250 R486 R488	K250-E448 IonicContact NZ-OE2 3.73Å; E448-R486 IonicContact OE1-NH2 3.01Å; E448-R486 IonicContact OE2-CZ 3.43Å; E448-R486 IonicContact OE2-NE 3.49Å; E448-R486 PolarHBondContact OE2-NE 3.09Å; E448-R486 IonicContact OE2-NH2 3.78Å; E448-R486 PolarHBondContact OE2-NH2 2.87Å; E448-R488 HydrophobicContact CG-CG 4.25Å; E448-R488 IonicContact OE1-CZ 2.97Å; E448-R488 IonicContact OE1-NE 2.61Å; E448-R488 PolarHBondContact OE1-NE 2.81Å; E448-R488 IonicContact OE1-NH2 2.68Å; E448-R488 PolarHBondContact OE1-NH2 3Å
449	Y	86	Confident	82.7	Confident	10 Å²	10	66.9 Å²	66.9	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.9	179.2	177.9	-138.5	0	0	0	110.8	F451 D454 A487 I511 K513 G591 H616 C617	Y449-F451 HydrophobicContact CD1-CB 3.76Å; Y449-F451 HydrophobicContact CE1-CB 3.43Å; Y449-F451 VanDerWaalsContact CE1-CB 3.43Å; Y449-F451 HydrophobicContact CG-CB 4.48Å; Y449-F451 PolarHBondContact O-N 3.3Å; Y449-D454 HydrophobicContact CE2-CB 4.01Å; Y449-D454 PolarHBondContact OH-OD2 2.85Å; Y449-A487 PolarHBondContact N-O 2.83Å; Y449-A487 PolarHBondContact O-N 2.72Å; Y449-I511 HydrophobicContact CE1-CG2 4.03Å; Y449-K513 HydrophobicContact CE1-CG 4.32Å; Y449-G591 WeakPolarHBondContact CD1-O 3.49Å; Y449-G591 WeakPolarHBondContact CE1-O 3.41Å; Y449-H616 HydrophobicContact CD1-CB 3.81Å; Y449-H616 HydrophobicContact CD2-CB 3.38Å; Y449-H616 AromaticContact CD2-CG 3.69Å; Y449-H616 AromaticContact CD2-ND1 3.83Å; Y449-H616 HydrophobicContact CE1-CB 4.04Å; Y449-H616 HydrophobicContact CE2-CB 3.65Å; Y449-H616 AromaticContact CE2-CG 3.54Å; Y449-H616 AromaticContact CE2-ND1 3.72Å; Y449-H616 HydrophobicContact CG-CB 3.47Å; Y449-H616 VanDerWaalsContact CG-CB 3.47Å; Y449-H616 AromaticContact CZ-CG 3.99Å; Y449-C617 HydrophobicContact CD1-CB 4.06Å; Y449-C617 HydrophobicContact CG-CB 4.47Å
450	D	84.9	Confident	82.9	Confident	56 Å²	56	66 Å²	66	30%	0.299	32%	0.318	S	S	.	.			trans	-88.5	77.4	172.8	-162.6	-26.5	0	0	0	110.4	R452 L453 D454 R486	D450-R452 PolarHBondContact O-N 2.88Å; D450-R452 PolarHBondContact OD1-N 3.09Å; D450-L453 PolarHBondContact O-N 3.18Å; D450-L453 PolarHBondContact OD1-N 2.94Å; D450-L453 WeakPolarHBondContact OD2-CD1 3.11Å; D450-D454 PolarHBondContact O-N 2.8Å; D450-D454 VanDerWaalsContact O-N 3.14Å; D450-R486 HydrophobicContact CB-CG 4.3Å
451	F	84.9	Confident	83.1	Confident	17 Å²	17	68.5 Å²	68.5	8%	0.075	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.7	-177.8	64.2	-87.3	0	0	0	113.7	Y449 F482 A487 T510 I511 K513	Y449-F451 HydrophobicContact CD1-CB 3.76Å; Y449-F451 HydrophobicContact CE1-CB 3.43Å; Y449-F451 VanDerWaalsContact CE1-CB 3.43Å; Y449-F451 HydrophobicContact CG-CB 4.48Å; Y449-F451 PolarHBondContact O-N 3.3Å; F451-F482 AromaticContact CE1-CD1 3.98Å; F451-F482 HydrophobicContact CE1-CD1 3.98Å; F451-F482 HydrophobicContact CE1-CE1 4.09Å; F451-F482 HydrophobicContact CZ-CD1 4.31Å; F451-F482 HydrophobicContact CZ-CE1 4.39Å; F451-A487 HydrophobicContact CD1-CB 3.77Å; F451-A487 HydrophobicContact CE1-CB 4.02Å; F451-T510 VanDerWaalsContact CE2-O 3.3Å; F451-T510 WeakPolarHBondContact CE2-O 3.34Å; F451-T510 HydrophobicContact CZ-CG2 4.38Å; F451-I511 HydrophobicContact CB-CG2 3.95Å; F451-I511 HydrophobicContact CD1-CG1 4.33Å; F451-I511 HydrophobicContact CG-CG1 4.37Å; F451-I511 HydrophobicContact CG-CG2 4.3Å; F451-K513 VanDerWaalsContact O-CE 3.32Å; F451-K513 WeakPolarHBondContact O-CE 3.44Å
452	R	83.4	Confident	83.4	Confident	167 Å²	167	65.6 Å²	65.6	63%	0.63	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-37.4	179.9	-65.3	-176.4	179	-175.9	0.8	111.9	D450	D450-R452 PolarHBondContact O-N 2.88Å; D450-R452 PolarHBondContact OD1-N 3.09Å
453	L	81.4	Confident	84	Confident	134 Å²	134	65 Å²	65	70%	0.702	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-15.5	178.5	-64.3	-176.6	0	0	0	113.2	D450 R455	D450-L453 PolarHBondContact O-N 3.18Å; D450-L453 PolarHBondContact OD1-N 2.94Å; D450-L453 WeakPolarHBondContact OD2-CD1 3.11Å; L453-R455 PolarHBondContact O-N 3.28Å; L453-R455 VanDerWaalsContact O-N 3.17Å
454	D	82.7	Confident	84.5	Confident	29 Å²	29	66.6 Å²	66.6	16%	0.155	33%	0.326	C	S	.	.			trans	-69.6	110.3	177	-177.9	20.3	0	0	0	111.9	Y449 D450 A456 N457 K513	Y449-D454 HydrophobicContact CE2-CB 4.01Å; Y449-D454 PolarHBondContact OH-OD2 2.85Å; D450-D454 PolarHBondContact O-N 2.8Å; D450-D454 VanDerWaalsContact O-N 3.14Å; D454-A456 WeakPolarHBondContact OD1-CB 2.97Å; D454-A456 PolarHBondContact OD1-N 3.1Å; D454-N457 VanDerWaalsContact OD2-CB 3.3Å; D454-N457 WeakPolarHBondContact OD2-CB 3.28Å; D454-N457 PolarHBondContact OD2-ND2 2.89Å; D454-K513 PolarHBondContact O-NZ 3.24Å
455	R	78.6	Confident	84.9	Confident	238 Å²	238	69.4 Å²	69.4	90%	0.898	34%	0.337	S	S	*	.			trans	-100.4	-6.7	173.9	-63.4	-176.2	-179.8	-177.9	-0.2	113.2	L453	L453-R455 PolarHBondContact O-N 3.28Å; L453-R455 VanDerWaalsContact O-N 3.17Å
456	A	78.6	Confident	85.1	Confident	75 Å²	75	73.8 Å²	73.8	62%	0.62	38%	0.376	S	S	*	.	S	Bend	trans	-73.4	-45.6	180	0	0	0	0	0	110.4	D454	D454-A456 WeakPolarHBondContact OD1-CB 2.97Å; D454-A456 PolarHBondContact OD1-N 3.1Å
457	N	81.9	Confident	85.5	Confident	9 Å²	9	77.7 Å²	77.7	5%	0.048	41%	0.405	C	S	.	.	S	Bend	trans	-80.3	130.4	174.4	-69.1	-54.2	0	0	0	111.5	D454 D459 K513 E589 H616	D454-N457 VanDerWaalsContact OD2-CB 3.3Å; D454-N457 WeakPolarHBondContact OD2-CB 3.28Å; D454-N457 PolarHBondContact OD2-ND2 2.89Å; N457-D459 PolarHBondContact O-N 2.87Å; N457-K513 HydrophobicContact CB-CD 3.94Å; N457-K513 PolarHBondContact O-NZ 2.77Å; N457-E589 PolarHBondContact OD1-O 3.18Å; N457-H616 PolarHBondContact ND2-CD2 2.85Å; N457-H616 PolarHBondContact ND2-NE2 3.3Å
458	K	84.1	Confident	85.8	Confident	161 Å²	161	77 Å²	77	70%	0.7	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-63	134.1	176.7	-65.8	-179.1	-179	177.9	0	111.1
459	D	87.3	Confident	86.2	Confident	118 Å²	118	81.3 Å²	81.3	63%	0.631	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-72.1	140.6	170.3	-69.2	-30.9	0	0	0	110.9	N457 R512 K513	N457-D459 PolarHBondContact O-N 2.87Å; D459-R512 WeakPolarHBondContact CA-O 3.44Å; D459-K513 WeakPolarHBondContact OD1-CD 3.3Å; D459-K513 VanDerWaalsContact OD1-CE 3.23Å; D459-K513 WeakPolarHBondContact OD1-CE 3.46Å; D459-K513 IonicContact OD1-NZ 3.75Å; D459-K513 PolarHBondContact OD1-NZ 2.87Å
460	I	87.1	Confident	86.5	Confident	6 Å²	6	82.7 Å²	82.7	3%	0.031	44%	0.437	C	S	.	.			trans	-104.5	136.8	176.7	-55.1	157.1	0	0	0	108.4	I462 R512 K513 P514 H559	I460-I462 HydrophobicContact CB-CG2 4.13Å; I460-I462 HydrophobicContact CG2-CB 4.1Å; I460-I462 HydrophobicContact CG2-CG2 4.05Å; I460-I462 PolarHBondContact O-N 3.26Å; I460-R512 PolarHBondContact N-O 3.05Å; I460-K513 VanDerWaalsContact CD1-O 3.29Å; I460-K513 WeakPolarHBondContact CD1-O 3.28Å; I460-P514 HydrophobicContact CD1-CG 4.35Å; I460-P514 VanDerWaalsContact CD1-N 3.3Å; I460-H559 HydrophobicContact CD1-CB 3.57Å; I460-H559 HydrophobicContact CG1-CB 3.8Å; I460-H559 HydrophobicContact CG2-CB 3.95Å
461	L	87.2	Confident	86.8	Confident	162 Å²	162	84.5 Å²	84.5	85%	0.848	44%	0.439	S	S	*	.			trans	-75.7	71.5	170	-61.7	175.6	0	0	0	110.2
462	I	89.7	Confident	87	Confident	4 Å²	4	86.7 Å²	86.7	2%	0.021	46%	0.455	C	S	.	.			trans	-119	122.3	174	-175.1	171.6	0	0	0	109.5	I460 R512 I538 I560	I460-I462 HydrophobicContact CB-CG2 4.13Å; I460-I462 HydrophobicContact CG2-CB 4.1Å; I460-I462 HydrophobicContact CG2-CG2 4.05Å; I460-I462 PolarHBondContact O-N 3.26Å; I462-R512 HydrophobicContact CG2-CG 4.44Å; I462-I538 HydrophobicContact CD1-CB 4.34Å; I462-I538 HydrophobicContact CD1-CD1 4.41Å; I462-I560 HydrophobicContact CD1-CD1 3.84Å
463	D	92.3	Very high	87.3	Confident	52 Å²	52	79.3 Å²	79.3	28%	0.278	43%	0.428	S	S	.	.			trans	-127.4	154.4	175.3	-77.8	-41.6	0	0	0	110.3	R512 S536 T537	D463-R512 IonicContact OD1-CZ 3.97Å; D463-R512 IonicContact OD1-NE 2.65Å; D463-R512 PolarHBondContact OD1-NE 3.22Å; D463-R512 IonicContact OD1-NH2 2.69Å; D463-R512 PolarHBondContact OD1-NH2 3.01Å; D463-S536 CarbonylContact O-C 3.42Å; D463-S536 VanDerWaalsContact O-CA 3.28Å; D463-S536 WeakPolarHBondContact O-CA 3.36Å; D463-T537 HydrophobicContact CB-CG2 4.29Å; D463-T537 PolarHBondContact N-OG1 3.3Å; D463-T537 PolarHBondContact O-N 3.3Å; D463-T537 PolarHBondContact O-OG1 2.76Å
464	L	92.5	Very high	87.9	Confident	50 Å²	50	73.1 Å²	73.1	26%	0.262	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-74.9	134.6	170.2	-159.5	76.1	0	0	0	108.7	T468 V505 C509 W535	L464-T468 WeakPolarHBondContact CD2-OG1 3.44Å; L464-T468 WeakPolarHBondContact CG-OG1 3.34Å; L464-V505 HydrophobicContact CD1-CG1 4.42Å; L464-C509 HydrophobicContact CB-CB 4.46Å; L464-W535 HydrophobicContact CD1-CB 4.41Å
465	K	92.1	Very high	88.3	Confident	72 Å²	72	75.6 Å²	75.6	31%	0.313	41%	0.406	S	S	.	.			trans	-63.6	143.2	178.6	-74.2	178.5	-176.6	151.9	0	110.6	S467 T468 K533 L534 W535 S536 T537	K465-S467 PolarHBondContact O-N 2.76Å; K465-S467 VanDerWaalsContact O-N 3.09Å; K465-T468 HydrophobicContact CB-CG2 3.78Å; K465-T468 WeakPolarHBondContact O-CB 3.32Å; K465-T468 VanDerWaalsContact O-CG2 3.23Å; K465-T468 WeakPolarHBondContact O-CG2 3.08Å; K465-T468 PolarHBondContact O-N 3.4Å; K465-T468 VanDerWaalsContact O-N 3.08Å; K465-T468 PolarHBondContact O-OG1 3.4Å; K465-K533 PolarHBondContact NZ-O 2.99Å; K465-L534 WeakPolarHBondContact CD-O 3.1Å; K465-L534 PolarHBondContact NZ-O 2.84Å; K465-W535 PolarHBondContact N-O 2.86Å; K465-S536 WeakPolarHBondContact CE-O 3.19Å; K465-S536 PolarHBondContact NZ-O 2.85Å; K465-T537 HydrophobicContact CG-CG2 4.12Å
466	A	87.7	Confident	88.8	Confident	111 Å²	111	67.4 Å²	67.4	92%	0.917	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.8	179.9	0	0	0	0	0	114	T468	A466-T468 PolarHBondContact O-N 3.17Å
467	S	89	Confident	89.3	Confident	100 Å²	100	63.9 Å²	63.9	70%	0.699	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.5	177.2	60.8	0	0	0	0	114.2	K465	K465-S467 PolarHBondContact O-N 2.76Å; K465-S467 VanDerWaalsContact O-N 3.09Å
468	T	88.5	Confident	89.8	Confident	16 Å²	16	64 Å²	64	10%	0.098	35%	0.348	C	S	.	.			trans	-104.9	125.8	-167.2	71.6	0	0	0	0	109.5	L464 K465 A466 W535	L464-T468 WeakPolarHBondContact CD2-OG1 3.44Å; L464-T468 WeakPolarHBondContact CG-OG1 3.34Å; K465-T468 HydrophobicContact CB-CG2 3.78Å; K465-T468 WeakPolarHBondContact O-CB 3.32Å; K465-T468 VanDerWaalsContact O-CG2 3.23Å; K465-T468 WeakPolarHBondContact O-CG2 3.08Å; K465-T468 PolarHBondContact O-N 3.4Å; K465-T468 VanDerWaalsContact O-N 3.08Å; K465-T468 PolarHBondContact O-OG1 3.4Å; A466-T468 PolarHBondContact O-N 3.17Å; T468-W535 HydrophobicContact CG2-CB 4.48Å; T468-W535 HydrophobicContact CG2-CD2 4.35Å; T468-W535 HydrophobicContact CG2-CE3 3.28Å; T468-W535 HydrophobicContact CG2-CZ3 3.83Å
469	T	90.6	Very high	90	Very high	120 Å²	120	65 Å²	65	74%	0.736	35%	0.347	S	S	*	.			trans	-119.8	131.7	179.7	54.5	0	0	0	0	108.9
470	L	91.4	Very high	89.9	Confident	40 Å²	40	61 Å²	61	21%	0.209	32%	0.324	C	S	.	.			trans	-85.1	150	177.3	-61	175	0	0	0	109.5	E475 L478 L502 T506	L470-E475 HydrophobicContact CB-CG 3.68Å; L470-E475 HydrophobicContact CD1-CG 4.21Å; L470-L478 HydrophobicContact CD1-CD1 3.99Å; L470-L502 HydrophobicContact CD2-CD1 4.42Å; L470-L502 HydrophobicContact CD2-CD2 3.84Å; L470-L502 HydrophobicContact CD2-CG 3.85Å; L470-T506 HydrophobicContact CD1-CG2 3.93Å
471	R	91	Very high	89.9	Confident	93 Å²	93	60.8 Å²	60.8	35%	0.351	32%	0.323	S	S	.	.			trans	-83.4	152.2	172.2	-62.8	169.9	-178.7	-178.4	1.2	109.3	Y473 Q474 E475 F656	R471-Y473 VanDerWaalsContact C-N 3.26Å; R471-Y473 HydrophobicContact CB-CD1 3.91Å; R471-Y473 HydrophobicContact CB-CE1 3.49Å; R471-Y473 VanDerWaalsContact CB-CE1 3.49Å; R471-Y473 WeakPolarHBondContact CD-OH 3.21Å; R471-Y473 HydrophobicContact CG-CE1 4.16Å; R471-Y473 PolarHBondContact NH1-OH 3.26Å; R471-Y473 PolarHBondContact O-N 2.87Å; R471-Y473 VanDerWaalsContact O-N 3.07Å; R471-Q474 HydrophobicContact CB-CG 4.19Å; R471-Q474 WeakPolarHBondContact O-CA 3.42Å; R471-Q474 VanDerWaalsContact O-CB 3.3Å; R471-Q474 WeakPolarHBondContact O-CB 3.35Å; R471-Q474 PolarHBondContact O-N 3.03Å; R471-E475 PolarHBondContact O-N 2.67Å; R471-E475 VanDerWaalsContact O-N 3.12Å; R471-F656 HydrophobicContact CB-CE1 4.47Å; R471-F656 HydrophobicContact CB-CZ 4.39Å; R471-F656 HydrophobicContact CG-CE1 4.04Å; R471-F656 HydrophobicContact CG-CZ 4.44Å
472	P	90.5	Very high	89.9	Confident	64 Å²	64	54.9 Å²	54.9	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-55.4	-36	-174.3	-29.2	35.3	0	0	0	115	K476	P472-K476 WeakPolarHBondContact O-CB 3.44Å; P472-K476 PolarHBondContact O-N 3.47Å
473	Y	89.7	Confident	89.3	Confident	12 Å²	12	55.3 Å²	55.3	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-73.6	-26.6	177.9	63.9	-94.6	0	0	0	113	R471 S477 L494 A498 L651 F656	R471-Y473 VanDerWaalsContact C-N 3.26Å; R471-Y473 HydrophobicContact CB-CD1 3.91Å; R471-Y473 HydrophobicContact CB-CE1 3.49Å; R471-Y473 VanDerWaalsContact CB-CE1 3.49Å; R471-Y473 WeakPolarHBondContact CD-OH 3.21Å; R471-Y473 HydrophobicContact CG-CE1 4.16Å; R471-Y473 PolarHBondContact NH1-OH 3.26Å; R471-Y473 PolarHBondContact O-N 2.87Å; R471-Y473 VanDerWaalsContact O-N 3.07Å; Y473-S477 WeakPolarHBondContact O-CB 3.23Å; Y473-S477 PolarHBondContact O-N 2.82Å; Y473-L494 HydrophobicContact CD2-CD2 3.97Å; Y473-L494 HydrophobicContact CE2-CD2 4.29Å; Y473-A498 HydrophobicContact CE2-CB 3.93Å; Y473-A498 VanDerWaalsContact CE2-O 3.25Å; Y473-A498 WeakPolarHBondContact CE2-O 3.14Å; Y473-A498 WeakPolarHBondContact OH-CA 3.49Å; Y473-A498 PolarHBondContact OH-O 2.72Å; Y473-L651 HydrophobicContact CD1-CD2 3.29Å; Y473-L651 HydrophobicContact CD2-CD2 4.23Å; Y473-L651 HydrophobicContact CE1-CD2 3.43Å; Y473-L651 VanDerWaalsContact CE1-CD2 3.43Å; Y473-L651 HydrophobicContact CE2-CD2 4.36Å; Y473-L651 HydrophobicContact CG-CD2 3.72Å; Y473-F656 HydrophobicContact CD1-CD2 4.06Å; Y473-F656 HydrophobicContact CD1-CE2 4.01Å; Y473-F656 HydrophobicContact CE1-CD1 4.42Å; Y473-F656 AromaticContact CE1-CD2 3.69Å; Y473-F656 HydrophobicContact CE1-CD2 3.69Å; Y473-F656 AromaticContact CE1-CE2 3.9Å; Y473-F656 HydrophobicContact CE1-CE2 3.9Å; Y473-F656 AromaticContact CE1-CG 3.97Å; Y473-F656 HydrophobicContact CE1-CG 3.97Å; Y473-F656 HydrophobicContact CE1-CZ 4.37Å
474	Q	92.9	Very high	88.3	Confident	3 Å²	3	58.9 Å²	58.9	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-44.2	174.2	-62.4	173.2	-28.5	0	0	109.3	R471 S477 L478 A498 V503	R471-Q474 HydrophobicContact CB-CG 4.19Å; R471-Q474 WeakPolarHBondContact O-CA 3.42Å; R471-Q474 VanDerWaalsContact O-CB 3.3Å; R471-Q474 WeakPolarHBondContact O-CB 3.35Å; R471-Q474 PolarHBondContact O-N 3.03Å; Q474-S477 PolarHBondContact O-N 3.12Å; Q474-S477 PolarHBondContact O-OG 2.67Å; Q474-L478 WeakPolarHBondContact O-CG 3.31Å; Q474-L478 PolarHBondContact O-N 3.39Å; Q474-A498 PolarHBondContact NE2-O 3.42Å; Q474-V503 HydrophobicContact CB-CG2 3.82Å; Q474-V503 HydrophobicContact CG-CG2 3.85Å
475	E	92	Very high	87.5	Confident	81 Å²	81	57.8 Å²	57.8	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-46.8	173.2	-64.4	175	173.8	0	0	111.7	L470 R471 S477 L478 R479	L470-E475 HydrophobicContact CB-CG 3.68Å; L470-E475 HydrophobicContact CD1-CG 4.21Å; R471-E475 PolarHBondContact O-N 2.67Å; R471-E475 VanDerWaalsContact O-N 3.12Å; E475-S477 VanDerWaalsContact C-N 3.25Å; E475-S477 PolarHBondContact O-N 2.84Å; E475-L478 PolarHBondContact O-N 3.44Å; E475-R479 WeakPolarHBondContact O-CB 3.26Å; E475-R479 PolarHBondContact O-N 3.02Å
476	K	87.7	Confident	87.2	Confident	67 Å²	67	57.7 Å²	57.7	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-57.7	-39	175.3	-169.4	172.2	-177.8	175.7	0	111.6	D181 P472 K480 Y644	D181-K476 IonicContact OD1-NZ 3.89Å; D181-K476 PolarHBondContact OD1-NZ 2.86Å; P472-K476 WeakPolarHBondContact O-CB 3.44Å; P472-K476 PolarHBondContact O-N 3.47Å; K476-K480 PolarHBondContact O-N 3.4Å; K476-Y644 HydrophobicContact CB-CE2 4.32Å; K476-Y644 HydrophobicContact CD-CE2 3.93Å; K476-Y644 HydrophobicContact CG-CD2 4.48Å; K476-Y644 HydrophobicContact CG-CE2 3.9Å
477	S	90.9	Very high	87.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.3	-42.7	177.8	77.1	0	0	0	0	112.8	Y473 Q474 E475 K480 M481 Y644	Y473-S477 WeakPolarHBondContact O-CB 3.23Å; Y473-S477 PolarHBondContact O-N 2.82Å; Q474-S477 PolarHBondContact O-N 3.12Å; Q474-S477 PolarHBondContact O-OG 2.67Å; E475-S477 VanDerWaalsContact C-N 3.25Å; E475-S477 PolarHBondContact O-N 2.84Å; S477-K480 PolarHBondContact O-N 3.43Å; S477-M481 PolarHBondContact O-N 3.42Å; S477-Y644 VanDerWaalsContact CB-CD1 3.4Å
478	L	91.4	Very high	87.2	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-37.9	178.4	-70.7	164.4	0	0	0	111.6	L470 Q474 E475 K480 M481 F482 V503 T506 A507	L470-L478 HydrophobicContact CD1-CD1 3.99Å; Q474-L478 WeakPolarHBondContact O-CG 3.31Å; Q474-L478 PolarHBondContact O-N 3.39Å; E475-L478 PolarHBondContact O-N 3.44Å; L478-K480 PolarHBondContact O-N 2.91Å; L478-M481 WeakPolarHBondContact O-CB 3.42Å; L478-M481 PolarHBondContact O-N 2.74Å; L478-F482 HydrophobicContact CB-CD2 4.33Å; L478-F482 HydrophobicContact CD2-CD2 4.46Å; L478-F482 HydrophobicContact CD2-CE2 3.93Å; L478-F482 VanDerWaalsContact O-CD2 3.28Å; L478-F482 WeakPolarHBondContact O-CD2 3.44Å; L478-F482 PolarHBondContact O-N 2.8Å; L478-V503 HydrophobicContact CD2-CG1 3.87Å; L478-V503 HydrophobicContact CG-CG1 4.13Å; L478-T506 HydrophobicContact CD1-CG2 3.49Å; L478-T506 VanDerWaalsContact CD1-CG2 3.49Å; L478-A507 HydrophobicContact CD2-CB 4.1Å
479	R	88.4	Confident	87.3	Confident	182 Å²	182	47.6 Å²	47.6	69%	0.687	24%	0.235	S	C	*	.	H	α-helix	trans	-59.6	-35.3	174.7	-168.3	-177.2	-58.5	162.1	1.5	112.3	E475 F482	E475-R479 WeakPolarHBondContact O-CB 3.26Å; E475-R479 PolarHBondContact O-N 3.02Å; R479-F482 CarbonylContact O-C 3.59Å
480	K	84.4	Confident	87.2	Confident	34 Å²	34	41.9 Å²	41.9	15%	0.148	20%	0.2	C	C	.	.	H	α-helix	trans	-72.6	-30.5	174.3	-72.3	-165.2	177	-165.8	0	113.3	K476 S477 L478 L643 Y644	K476-K480 PolarHBondContact O-N 3.4Å; S477-K480 PolarHBondContact O-N 3.43Å; L478-K480 PolarHBondContact O-N 2.91Å; K480-L643 WeakPolarHBondContact CD-O 3.46Å; K480-Y644 HydrophobicContact CD-CD2 4.18Å
481	M	88.1	Confident	87.2	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-74.1	-41.2	174.9	-178.4	-175.9	173.7	0	0	111.9	S477 L478 R488 A507 I511 L592 L619 L643	S477-M481 PolarHBondContact O-N 3.42Å; L478-M481 WeakPolarHBondContact O-CB 3.42Å; L478-M481 PolarHBondContact O-N 2.74Å; M481-R488 PolarHBondContact O-N 3.04Å; M481-A507 HydrophobicContact CE-CB 4.16Å; M481-A507 HydrophobicContact SD-CB 4.03Å; M481-I511 HydrophobicContact CE-CD1 4.14Å; M481-L592 HydrophobicContact CE-CD1 4.06Å; M481-L619 HydrophobicContact CE-CB 4.13Å; M481-L619 HydrophobicContact CE-CD1 4.33Å; M481-L619 HydrophobicContact CE-CD2 4.16Å; M481-L619 HydrophobicContact CE-CG 4.44Å; M481-L619 HydrophobicContact SD-CD1 3.86Å; M481-L619 HydrophobicContact SD-CD2 3.98Å; M481-L619 HydrophobicContact SD-CG 4.39Å; M481-L643 HydrophobicContact CB-CD1 4.02Å; M481-L643 HydrophobicContact CG-CD1 4.17Å
482	F	87.7	Confident	87.2	Confident	38 Å²	38	35.6 Å²	35.6	17%	0.167	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	85.2	179.5	-61.6	-67.6	0	0	0	109.9	F451 L478 R479 R486 A487 A507 T510 I511	F451-F482 AromaticContact CE1-CD1 3.98Å; F451-F482 HydrophobicContact CE1-CD1 3.98Å; F451-F482 HydrophobicContact CE1-CE1 4.09Å; F451-F482 HydrophobicContact CZ-CD1 4.31Å; F451-F482 HydrophobicContact CZ-CE1 4.39Å; L478-F482 HydrophobicContact CB-CD2 4.33Å; L478-F482 HydrophobicContact CD2-CD2 4.46Å; L478-F482 HydrophobicContact CD2-CE2 3.93Å; L478-F482 VanDerWaalsContact O-CD2 3.28Å; L478-F482 WeakPolarHBondContact O-CD2 3.44Å; L478-F482 PolarHBondContact O-N 2.8Å; R479-F482 CarbonylContact O-C 3.59Å; F482-R486 WeakPolarHBondContact CA-O 3.22Å; F482-A487 HydrophobicContact CD1-CB 4.04Å; F482-A487 HydrophobicContact CE1-CB 3.79Å; F482-A507 HydrophobicContact CE2-CB 4.34Å; F482-A507 HydrophobicContact CZ-CB 4.19Å; F482-T510 HydrophobicContact CD1-CG2 4.15Å; F482-T510 HydrophobicContact CD2-CG2 4.14Å; F482-T510 HydrophobicContact CE1-CG2 3.87Å; F482-T510 HydrophobicContact CE2-CG2 3.86Å; F482-T510 HydrophobicContact CG-CG2 4.29Å; F482-T510 HydrophobicContact CZ-CG2 3.72Å; F482-I511 HydrophobicContact CE1-CD1 4Å; F482-I511 HydrophobicContact CE1-CG1 3.6Å; F482-I511 HydrophobicContact CZ-CD1 4.17Å; F482-I511 HydrophobicContact CZ-CG1 3.87Å
483	G	76	Confident	87.2	Confident	13 Å²	13	33 Å²	33	13%	0.134	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.9	175.2	0	0	0	0	0	111.2	G485 R486	G483-G485 PolarHBondContact O-N 2.93Å; G483-G485 VanDerWaalsContact O-N 3.09Å; G483-R486 PolarHBondContact N-O 2.82Å; G483-R486 PolarHBondContact O-N 2.82Å
484	N	72.1	Confident	87.1	Confident	128 Å²	128	32.4 Å²	32.4	68%	0.684	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	30.7	175.8	-54.4	-12.8	0	0	0	113.9	R486	N484-R486 VanDerWaalsContact C-N 3.28Å; N484-R486 PolarHBondContact O-N 3.24Å
485	G	76.3	Confident	86.6	Confident	26 Å²	26	32.3 Å²	32.3	27%	0.268	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	1.3	-178.2	0	0	0	0	0	116.1	G483	G483-G485 PolarHBondContact O-N 2.93Å; G483-G485 VanDerWaalsContact O-N 3.09Å
486	R	84.7	Confident	86	Confident	71 Å²	71	28.9 Å²	28.9	27%	0.268	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	152.2	179.3	-59.9	-173.8	-62.6	-129.4	-0.2	111.2	E448 D450 F482 G483 N484	E448-R486 IonicContact OE1-NH2 3.01Å; E448-R486 IonicContact OE2-CZ 3.43Å; E448-R486 IonicContact OE2-NE 3.49Å; E448-R486 PolarHBondContact OE2-NE 3.09Å; E448-R486 IonicContact OE2-NH2 3.78Å; E448-R486 PolarHBondContact OE2-NH2 2.87Å; D450-R486 HydrophobicContact CB-CG 4.3Å; F482-R486 WeakPolarHBondContact CA-O 3.22Å; G483-R486 PolarHBondContact N-O 2.82Å; G483-R486 PolarHBondContact O-N 2.82Å; N484-R486 VanDerWaalsContact C-N 3.28Å; N484-R486 PolarHBondContact O-N 3.24Å
487	A	89.7	Confident	85.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131	174.1	0	0	0	0	0	110.2	Y449 F451 F482 I511	Y449-A487 PolarHBondContact N-O 2.83Å; Y449-A487 PolarHBondContact O-N 2.72Å; F451-A487 HydrophobicContact CD1-CB 3.77Å; F451-A487 HydrophobicContact CE1-CB 4.02Å; F482-A487 HydrophobicContact CD1-CB 4.04Å; F482-A487 HydrophobicContact CE1-CB 3.79Å; A487-I511 HydrophobicContact CB-CD1 3.89Å; A487-I511 HydrophobicContact CB-CG1 4.25Å
488	R	87.3	Confident	85	Confident	10 Å²	10	27.7 Å²	27.7	4%	0.038	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.2	177.4	-61.8	-173.6	175.4	146.4	3.5	111.4	S211 E448 M481	S211-R488 PolarHBondContact O-NH1 2.78Å; S211-R488 PolarHBondContact O-NH2 2.82Å; S211-R488 WeakPolarHBondContact OG-CD 3.36Å; S211-R488 PolarHBondContact OG-NE 3.44Å; S211-R488 PolarHBondContact OG-NH1 3.48Å; E448-R488 HydrophobicContact CG-CG 4.25Å; E448-R488 IonicContact OE1-CZ 2.97Å; E448-R488 IonicContact OE1-NE 2.61Å; E448-R488 PolarHBondContact OE1-NE 2.81Å; E448-R488 IonicContact OE1-NH2 2.68Å; E448-R488 PolarHBondContact OE1-NH2 3Å; M481-R488 PolarHBondContact O-N 3.04Å
489	S	89.9	Confident	84.7	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.028	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-73.9	142.4	168.2	-54	0	0	0	0	110.3	T447 C617 K618 I639	T447-S489 PolarHBondContact O-N 2.64Å; T447-S489 PolarHBondContact O-OG 3.3Å; T447-S489 WeakPolarHBondContact OG1-CB 3.08Å; S489-C617 WeakPolarHBondContact OG-CA 3.12Å; S489-K618 CarbonylContact C-O 3.58Å; S489-K618 WeakPolarHBondContact CA-O 3.35Å; S489-K618 WeakPolarHBondContact CB-O 3.36Å; S489-K618 PolarHBondContact OG-N 3.01Å; S489-I639 VanDerWaalsContact CB-O 3.27Å; S489-I639 WeakPolarHBondContact CB-O 3.38Å
490	G	89	Confident	84.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-175.2	179.2	0	0	0	0	0	113.6	K618 G620 P641	G490-K618 PolarHBondContact N-O 3.22Å; G490-G620 PolarHBondContact O-N 3.21Å; G490-P641 CarbonylContact C-O 3.26Å; G490-P641 WeakPolarHBondContact CA-O 3.45Å
491	V	90.9	Very high	85.1	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.4	-170.9	-173.4	0	0	0	0	111.1	V493 V598 G620 T622 L625 L635 I639 P641 K642 L643	V491-V493 HydrophobicContact CG1-CG2 4.38Å; V491-V598 HydrophobicContact CG2-CG1 4.36Å; V491-G620 CarbonylContact C-O 3.51Å; V491-G620 WeakPolarHBondContact CA-O 3.39Å; V491-T622 HydrophobicContact CG1-CG2 3.98Å; V491-L625 HydrophobicContact CG1-CD2 4.27Å; V491-L635 HydrophobicContact CG1-CD2 4.41Å; V491-L635 HydrophobicContact CG2-CD2 3.86Å; V491-L635 HydrophobicContact CG2-CG 4.38Å; V491-I639 HydrophobicContact CG2-CB 4.38Å; V491-I639 HydrophobicContact CG2-CD1 4.47Å; V491-I639 HydrophobicContact CG2-CG2 4.06Å; V491-P641 PolarHBondContact N-O 3.02Å; V491-K642 CarbonylContact O-C 3.56Å; V491-K642 WeakPolarHBondContact O-CA 3.42Å; V491-L643 PolarHBondContact O-N 3.3Å
492	I	92	Very high	85.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.4	173.5	-65.3	179.6	0	0	0	108.8	L494 V503 L619 G620 L621 T622 L643 Y644	I492-L494 HydrophobicContact CG2-CD1 3.87Å; I492-L494 HydrophobicContact CG2-CD2 4.44Å; I492-L494 HydrophobicContact CG2-CG 3.75Å; I492-V503 HydrophobicContact CD1-CG1 4.03Å; I492-L619 HydrophobicContact CD1-CD1 3.79Å; I492-L619 HydrophobicContact CG1-CD1 4Å; I492-G620 PolarHBondContact N-O 3.3Å; I492-L621 HydrophobicContact CB-CD2 4.11Å; I492-L621 HydrophobicContact CG2-CD2 4.43Å; I492-T622 PolarHBondContact O-N 3.24Å; I492-L643 HydrophobicContact CG1-CB 4.28Å; I492-L643 HydrophobicContact CG1-CD1 4.45Å; I492-Y644 HydrophobicContact CG2-CD1 4.5Å
493	V	89.3	Confident	85.7	Confident	9 Å²	9	19.7 Å²	19.7	6%	0.055	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.5	-180	-170.9	0	0	0	0	109.3	V491 T622 L625 K642 Y644 E645 A646	V491-V493 HydrophobicContact CG1-CG2 4.38Å; V493-T622 WeakPolarHBondContact CA-O 3.4Å; V493-T622 HydrophobicContact CB-CG2 4.49Å; V493-T622 HydrophobicContact CG1-CG2 4.39Å; V493-T622 HydrophobicContact CG2-CG2 3.95Å; V493-L625 HydrophobicContact CG2-CD1 3.41Å; V493-L625 VanDerWaalsContact CG2-CD1 3.41Å; V493-L625 HydrophobicContact CG2-CD2 4.41Å; V493-L625 HydrophobicContact CG2-CG 3.64Å; V493-K642 HydrophobicContact CG2-CG 4.4Å; V493-Y644 PolarHBondContact N-O 3.34Å; V493-E645 HydrophobicContact CB-CB 4.12Å; V493-E645 HydrophobicContact CB-CG 4.01Å; V493-E645 HydrophobicContact CG1-CG 4.12Å; V493-E645 WeakPolarHBondContact O-CA 3.44Å; V493-A646 PolarHBondContact O-N 2.94Å
494	L	88.8	Confident	86.6	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.12	C	C	.	.			trans	-128.8	135.4	177.7	-65.6	170.8	0	0	0	108.9	Y473 I492 A498 K500 V503 T622 A623 Y644 A646	Y473-L494 HydrophobicContact CD2-CD2 3.97Å; Y473-L494 HydrophobicContact CE2-CD2 4.29Å; I492-L494 HydrophobicContact CG2-CD1 3.87Å; I492-L494 HydrophobicContact CG2-CD2 4.44Å; I492-L494 HydrophobicContact CG2-CG 3.75Å; L494-A498 HydrophobicContact CB-CB 4.28Å; L494-K500 HydrophobicContact CB-CD 4.48Å; L494-K500 HydrophobicContact CB-CG 3.68Å; L494-K500 HydrophobicContact CD1-CG 4.35Å; L494-K500 WeakPolarHBondContact O-CD 3.3Å; L494-K500 PolarHBondContact O-NZ 3.12Å; L494-V503 HydrophobicContact CD1-CB 4.35Å; L494-V503 HydrophobicContact CD1-CG2 3.75Å; L494-T622 PolarHBondContact N-O 3.2Å; L494-A623 VanDerWaalsContact O-CA 3.29Å; L494-A623 WeakPolarHBondContact O-CA 3.49Å; L494-Y644 HydrophobicContact CD2-CD1 4.07Å; L494-Y644 HydrophobicContact CD2-CE1 3.88Å; L494-A646 HydrophobicContact CD2-CB 3.75Å
495	P	82	Confident	87.7	Confident	2 Å²	2	13 Å²	13	1%	0.013	9%	0.087	C	C	.	.			trans	-61.3	163	179.3	20.7	-28.7	0	0	0	113.2	A498 K500 W648 L651 I657	P495-A498 HydrophobicContact CG-CB 3.91Å; P495-A498 WeakPolarHBondContact O-CB 3.45Å; P495-A498 PolarHBondContact O-N 3.12Å; P495-K500 PolarHBondContact O-NZ 3.41Å; P495-W648 HydrophobicContact CB-CD2 4.01Å; P495-W648 HydrophobicContact CB-CE3 4.15Å; P495-W648 HydrophobicContact CB-CH2 3.58Å; P495-W648 HydrophobicContact CB-CZ2 3.42Å; P495-W648 VanDerWaalsContact CB-CZ2 3.42Å; P495-W648 HydrophobicContact CB-CZ3 3.91Å; P495-W648 HydrophobicContact CG-CD2 4.38Å; P495-L651 HydrophobicContact CG-CD1 3.41Å; P495-L651 VanDerWaalsContact CG-CD1 3.41Å; P495-I657 HydrophobicContact CB-CD1 4.04Å; P495-I657 HydrophobicContact CG-CD1 3.58Å
496	C	78.7	Confident	88.6	Confident	8 Å²	8	12.2 Å²	12.2	5%	0.054	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	139.6	174.8	-66.1	0	0	0	0	110.2	A498 A623 R797	C496-A498 PolarHBondContact O-N 3.46Å; C496-A623 VanDerWaalsContact SG-CB 3.59Å; C496-R797 HydrophobicContact CB-CB 4.48Å; C496-R797 HydrophobicContact CB-CG 3.64Å
497	G	76.5	Confident	89.1	Confident	42 Å²	42	8.9 Å²	8.9	43%	0.433	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-8.7	-175.1	0	0	0	0	0	116	G499	G497-G499 PolarHBondContact O-N 3.28Å
498	A	81.6	Confident	89.4	Confident	1 Å²	1	8.9 Å²	8.9	1%	0.008	7%	0.065	C	C	.	.	S	Bend	trans	-77.4	0.3	178.9	0	0	0	0	0	114.6	Y473 Q474 L494 P495 C496 L651	Y473-A498 HydrophobicContact CE2-CB 3.93Å; Y473-A498 VanDerWaalsContact CE2-O 3.25Å; Y473-A498 WeakPolarHBondContact CE2-O 3.14Å; Y473-A498 WeakPolarHBondContact OH-CA 3.49Å; Y473-A498 PolarHBondContact OH-O 2.72Å; Q474-A498 PolarHBondContact NE2-O 3.42Å; L494-A498 HydrophobicContact CB-CB 4.28Å; P495-A498 HydrophobicContact CG-CB 3.91Å; P495-A498 WeakPolarHBondContact O-CB 3.45Å; P495-A498 PolarHBondContact O-N 3.12Å; C496-A498 PolarHBondContact O-N 3.46Å; A498-L651 HydrophobicContact CB-CD1 4.42Å
499	G	85.2	Confident	89.7	Confident	25 Å²	25	8.8 Å²	8.8	26%	0.258	7%	0.065	S	C	.	.			trans	83.9	42.6	-179.9	0	0	0	0	0	114.4	G497 T501 L502 V503	G497-G499 PolarHBondContact O-N 3.28Å; G499-T501 VanDerWaalsContact C-N 3.3Å; G499-T501 PolarHBondContact O-N 3.06Å; G499-L502 PolarHBondContact O-N 2.9Å; G499-V503 PolarHBondContact O-N 2.77Å
500	K	89.1	Confident	89.8	Confident	19 Å²	19	11.4 Å²	11.4	8%	0.083	8%	0.082	C	C	.	.	H	α-helix	trans	-49.5	-49.5	172	-82.2	-172.1	-81.7	-77.4	0	112.4	L494 P495 L502 V503 G504	L494-K500 HydrophobicContact CB-CD 4.48Å; L494-K500 HydrophobicContact CB-CG 3.68Å; L494-K500 HydrophobicContact CD1-CG 4.35Å; L494-K500 WeakPolarHBondContact O-CD 3.3Å; L494-K500 PolarHBondContact O-NZ 3.12Å; P495-K500 PolarHBondContact O-NZ 3.41Å; K500-L502 VanDerWaalsContact C-N 3.31Å; K500-L502 PolarHBondContact O-N 3.04Å; K500-V503 WeakPolarHBondContact O-CB 3.43Å; K500-V503 PolarHBondContact O-N 3.31Å; K500-G504 PolarHBondContact O-N 3.38Å
501	T	91.8	Very high	90	Very high	38 Å²	38	11.5 Å²	11.5	23%	0.233	8%	0.082	C	C	.	.	H	α-helix	trans	-61.9	-39.3	-178.8	-44	0	0	0	0	112	G499 V503 G504 V505 W528 Q531	G499-T501 VanDerWaalsContact C-N 3.3Å; G499-T501 PolarHBondContact O-N 3.06Å; T501-V503 VanDerWaalsContact C-N 3.35Å; T501-V503 PolarHBondContact O-N 2.86Å; T501-G504 PolarHBondContact O-N 2.95Å; T501-V505 WeakPolarHBondContact O-CG2 3.4Å; T501-V505 PolarHBondContact O-N 3.01Å; T501-W528 HydrophobicContact CG2-CD2 3.7Å; T501-W528 HydrophobicContact CG2-CE3 3.51Å; T501-W528 HydrophobicContact CG2-CG 4.4Å; T501-W528 HydrophobicContact CG2-CH2 3.93Å; T501-W528 HydrophobicContact CG2-CZ2 4.09Å; T501-W528 HydrophobicContact CG2-CZ3 3.64Å; T501-Q531 HydrophobicContact CG2-CB 3.56Å; T501-Q531 HydrophobicContact CG2-CG 3.65Å
502	L	93.5	Very high	90.1	Very high	17 Å²	17	16.4 Å²	16.4	9%	0.089	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-42.2	177.4	-176.9	59.2	0	0	0	111.4	L470 G499 K500 G504 V505 T506 W535	L470-L502 HydrophobicContact CD2-CD1 4.42Å; L470-L502 HydrophobicContact CD2-CD2 3.84Å; L470-L502 HydrophobicContact CD2-CG 3.85Å; G499-L502 PolarHBondContact O-N 2.9Å; K500-L502 VanDerWaalsContact C-N 3.31Å; K500-L502 PolarHBondContact O-N 3.04Å; L502-G504 VanDerWaalsContact C-N 3.32Å; L502-G504 PolarHBondContact O-N 3.08Å; L502-V505 PolarHBondContact O-N 3.4Å; L502-T506 PolarHBondContact O-N 3.2Å; L502-T506 PolarHBondContact O-OG1 3.3Å; L502-W535 HydrophobicContact CD1-CB 3.92Å; L502-W535 HydrophobicContact CD1-CD2 3.74Å; L502-W535 HydrophobicContact CD1-CE3 4.04Å; L502-W535 HydrophobicContact CD1-CG 3.61Å
503	V	95.2	Very high	90.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-42.6	175.1	172.9	0	0	0	0	111.5	Q474 L478 I492 L494 G499 K500 T501 T506 A507 L621	Q474-V503 HydrophobicContact CB-CG2 3.82Å; Q474-V503 HydrophobicContact CG-CG2 3.85Å; L478-V503 HydrophobicContact CD2-CG1 3.87Å; L478-V503 HydrophobicContact CG-CG1 4.13Å; I492-V503 HydrophobicContact CD1-CG1 4.03Å; L494-V503 HydrophobicContact CD1-CB 4.35Å; L494-V503 HydrophobicContact CD1-CG2 3.75Å; G499-V503 PolarHBondContact O-N 2.77Å; K500-V503 WeakPolarHBondContact O-CB 3.43Å; K500-V503 PolarHBondContact O-N 3.31Å; T501-V503 VanDerWaalsContact C-N 3.35Å; T501-V503 PolarHBondContact O-N 2.86Å; V503-T506 PolarHBondContact O-N 3.21Å; V503-A507 WeakPolarHBondContact O-CB 3.32Å; V503-A507 PolarHBondContact O-N 3.01Å; V503-L621 HydrophobicContact CG1-CD2 4.44Å
504	G	95.1	Very high	90.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-44.3	175.1	0	0	0	0	0	113.2	K500 T501 L502 A507 A508 I594	K500-G504 PolarHBondContact O-N 3.38Å; T501-G504 PolarHBondContact O-N 2.95Å; L502-G504 VanDerWaalsContact C-N 3.32Å; L502-G504 PolarHBondContact O-N 3.08Å; G504-A507 PolarHBondContact O-N 2.66Å; G504-A508 PolarHBondContact O-N 3.3Å; G504-I594 WeakPolarHBondContact O-CD1 3.47Å
505	V	95.2	Very high	90.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-44.6	176.1	175.5	0	0	0	0	110.6	L464 T501 L502 A507 A508 C509 W528 F532 W535	L464-V505 HydrophobicContact CD1-CG1 4.42Å; T501-V505 WeakPolarHBondContact O-CG2 3.4Å; T501-V505 PolarHBondContact O-N 3.01Å; L502-V505 PolarHBondContact O-N 3.4Å; V505-A507 PolarHBondContact O-N 3.2Å; V505-A508 WeakPolarHBondContact O-CB 3.23Å; V505-A508 PolarHBondContact O-N 3.34Å; V505-C509 PolarHBondContact O-N 3.18Å; V505-C509 PolarHBondContact O-SG 2.87Å; V505-W528 HydrophobicContact CG2-CZ3 4.49Å; V505-F532 HydrophobicContact CB-CD1 4.41Å; V505-F532 HydrophobicContact CB-CE1 4.27Å; V505-F532 HydrophobicContact CG1-CD1 4.01Å; V505-F532 HydrophobicContact CG1-CE1 4.19Å; V505-F532 HydrophobicContact CG2-CD1 3.9Å; V505-F532 HydrophobicContact CG2-CD2 4.28Å; V505-F532 HydrophobicContact CG2-CE1 3.91Å; V505-F532 HydrophobicContact CG2-CE2 4.3Å; V505-F532 HydrophobicContact CG2-CG 4.07Å; V505-F532 HydrophobicContact CG2-CZ 4.11Å; V505-W535 HydrophobicContact CG1-CB 4.17Å
506	T	95.4	Very high	91.2	Very high	10 Å²	10	16.5 Å²	16.5	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-43	176.3	-55.8	0	0	0	0	111.7	L470 L478 L502 V503 A508 C509 T510	L470-T506 HydrophobicContact CD1-CG2 3.93Å; L478-T506 HydrophobicContact CD1-CG2 3.49Å; L478-T506 VanDerWaalsContact CD1-CG2 3.49Å; L502-T506 PolarHBondContact O-N 3.2Å; L502-T506 PolarHBondContact O-OG1 3.3Å; V503-T506 PolarHBondContact O-N 3.21Å; T506-A508 VanDerWaalsContact C-N 3.3Å; T506-A508 PolarHBondContact O-N 3.01Å; T506-C509 CarbonylContact O-C 3.56Å; T506-C509 PolarHBondContact O-N 3.41Å; T506-C509 VanDerWaalsContact O-N 3.16Å; T506-T510 PolarHBondContact O-N 2.67Å; T506-T510 PolarHBondContact O-OG1 3.3Å
507	A	95.1	Very high	92	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.1	-40.4	176.3	0	0	0	0	0	112.1	L478 M481 F482 V503 G504 V505 T510 I511 L592 L619	L478-A507 HydrophobicContact CD2-CB 4.1Å; M481-A507 HydrophobicContact CE-CB 4.16Å; M481-A507 HydrophobicContact SD-CB 4.03Å; F482-A507 HydrophobicContact CE2-CB 4.34Å; F482-A507 HydrophobicContact CZ-CB 4.19Å; V503-A507 WeakPolarHBondContact O-CB 3.32Å; V503-A507 PolarHBondContact O-N 3.01Å; G504-A507 PolarHBondContact O-N 2.66Å; V505-A507 PolarHBondContact O-N 3.2Å; A507-T510 PolarHBondContact O-N 3.21Å; A507-I511 WeakPolarHBondContact O-CG1 3.41Å; A507-I511 PolarHBondContact O-N 2.78Å; A507-L592 HydrophobicContact CB-CD2 4.2Å; A507-L619 HydrophobicContact CB-CD2 3.79Å
508	A	94.9	Very high	92.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.8	-43.5	173.8	0	0	0	0	0	112	G504 V505 T506 T510 I511 R512 T515 F532 L592	G504-A508 PolarHBondContact O-N 3.3Å; V505-A508 WeakPolarHBondContact O-CB 3.23Å; V505-A508 PolarHBondContact O-N 3.34Å; T506-A508 VanDerWaalsContact C-N 3.3Å; T506-A508 PolarHBondContact O-N 3.01Å; A508-T510 VanDerWaalsContact C-N 3.32Å; A508-T510 PolarHBondContact O-N 3.29Å; A508-I511 PolarHBondContact O-N 3.44Å; A508-R512 PolarHBondContact O-N 2.72Å; A508-T515 HydrophobicContact CB-CG2 4.11Å; A508-F532 HydrophobicContact CB-CE1 3.94Å; A508-F532 HydrophobicContact CB-CZ 4.32Å; A508-L592 HydrophobicContact CB-CD2 4.14Å
509	C	93.6	Very high	93.4	Very high	8 Å²	8	14 Å²	14	5%	0.054	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-32.3	175	-63.5	0	0	0	0	113.1	L464 V505 T506 R512	L464-C509 HydrophobicContact CB-CB 4.46Å; V505-C509 PolarHBondContact O-N 3.18Å; V505-C509 PolarHBondContact O-SG 2.87Å; T506-C509 CarbonylContact O-C 3.56Å; T506-C509 PolarHBondContact O-N 3.41Å; T506-C509 VanDerWaalsContact O-N 3.16Å; C509-R512 WeakPolarHBondContact O-CG 3.36Å
510	T	92.6	Very high	93.4	Very high	60 Å²	60	14.9 Å²	14.9	37%	0.368	8%	0.078	S	C	.	.	H	α-helix	trans	-76.5	-40.4	178.3	-58.1	0	0	0	0	111.9	F451 F482 T506 A507 A508	F451-T510 VanDerWaalsContact CE2-O 3.3Å; F451-T510 WeakPolarHBondContact CE2-O 3.34Å; F451-T510 HydrophobicContact CZ-CG2 4.38Å; F482-T510 HydrophobicContact CD1-CG2 4.15Å; F482-T510 HydrophobicContact CD2-CG2 4.14Å; F482-T510 HydrophobicContact CE1-CG2 3.87Å; F482-T510 HydrophobicContact CE2-CG2 3.86Å; F482-T510 HydrophobicContact CG-CG2 4.29Å; F482-T510 HydrophobicContact CZ-CG2 3.72Å; T506-T510 PolarHBondContact O-N 2.67Å; T506-T510 PolarHBondContact O-OG1 3.3Å; A507-T510 PolarHBondContact O-N 3.21Å; A508-T510 VanDerWaalsContact C-N 3.32Å; A508-T510 PolarHBondContact O-N 3.29Å
511	I	92.8	Very high	93.2	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-75.3	-35.1	-179.5	-69.4	175.8	0	0	0	111.5	Y449 F451 M481 F482 A487 A507 A508 K513 L592	Y449-I511 HydrophobicContact CE1-CG2 4.03Å; F451-I511 HydrophobicContact CB-CG2 3.95Å; F451-I511 HydrophobicContact CD1-CG1 4.33Å; F451-I511 HydrophobicContact CG-CG1 4.37Å; F451-I511 HydrophobicContact CG-CG2 4.3Å; M481-I511 HydrophobicContact CE-CD1 4.14Å; F482-I511 HydrophobicContact CE1-CD1 4Å; F482-I511 HydrophobicContact CE1-CG1 3.6Å; F482-I511 HydrophobicContact CZ-CD1 4.17Å; F482-I511 HydrophobicContact CZ-CG1 3.87Å; A487-I511 HydrophobicContact CB-CD1 3.89Å; A487-I511 HydrophobicContact CB-CG1 4.25Å; A507-I511 WeakPolarHBondContact O-CG1 3.41Å; A507-I511 PolarHBondContact O-N 2.78Å; A508-I511 PolarHBondContact O-N 3.44Å; I511-K513 HydrophobicContact CG2-CB 3.82Å; I511-K513 HydrophobicContact CG2-CG 3.81Å; I511-K513 WeakPolarHBondContact O-CG 3.43Å; I511-K513 PolarHBondContact O-N 3.41Å; I511-L592 HydrophobicContact CD1-CB 4.08Å; I511-L592 HydrophobicContact CD1-CD1 3.82Å; I511-L592 HydrophobicContact CD1-CD2 4.13Å; I511-L592 HydrophobicContact CD1-CG 4.21Å
512	R	93	Very high	92.8	Very high	103 Å²	103	15 Å²	15	39%	0.389	9%	0.089	S	C	.	.			trans	57.1	28.1	179.4	-59.1	-175.2	172.2	164.6	-4.2	115.3	D459 I460 I462 D463 A508 C509	D459-R512 WeakPolarHBondContact CA-O 3.44Å; I460-R512 PolarHBondContact N-O 3.05Å; I462-R512 HydrophobicContact CG2-CG 4.44Å; D463-R512 IonicContact OD1-CZ 3.97Å; D463-R512 IonicContact OD1-NE 2.65Å; D463-R512 PolarHBondContact OD1-NE 3.22Å; D463-R512 IonicContact OD1-NH2 2.69Å; D463-R512 PolarHBondContact OD1-NH2 3.01Å; A508-R512 PolarHBondContact O-N 2.72Å; C509-R512 WeakPolarHBondContact O-CG 3.36Å
513	K	92.2	Very high	92.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	11%	0.105	C	C	.	.	S	Bend	trans	-120	161.9	178.2	-59	-64.6	-163	-175.1	0	111.5	Y449 F451 D454 N457 D459 I460 I511 T515	Y449-K513 HydrophobicContact CE1-CG 4.32Å; F451-K513 VanDerWaalsContact O-CE 3.32Å; F451-K513 WeakPolarHBondContact O-CE 3.44Å; D454-K513 PolarHBondContact O-NZ 3.24Å; N457-K513 HydrophobicContact CB-CD 3.94Å; N457-K513 PolarHBondContact O-NZ 2.77Å; D459-K513 WeakPolarHBondContact OD1-CD 3.3Å; D459-K513 VanDerWaalsContact OD1-CE 3.23Å; D459-K513 WeakPolarHBondContact OD1-CE 3.46Å; D459-K513 IonicContact OD1-NZ 3.75Å; D459-K513 PolarHBondContact OD1-NZ 2.87Å; I460-K513 VanDerWaalsContact CD1-O 3.29Å; I460-K513 WeakPolarHBondContact CD1-O 3.28Å; I511-K513 HydrophobicContact CG2-CB 3.82Å; I511-K513 HydrophobicContact CG2-CG 3.81Å; I511-K513 WeakPolarHBondContact O-CG 3.43Å; I511-K513 PolarHBondContact O-N 3.41Å; K513-T515 PolarHBondContact O-N 3.35Å; K513-T515 PolarHBondContact O-OG1 3.2Å
514	P	93.4	Very high	92	Very high	9 Å²	9	17.8 Å²	17.8	6%	0.058	11%	0.107	C	C	.	.			trans	-46.6	125.2	179	-31.2	37	0	0	0	111.8	I460 H559 W590 G591 L592	I460-P514 HydrophobicContact CD1-CG 4.35Å; I460-P514 VanDerWaalsContact CD1-N 3.3Å; P514-H559 WeakPolarHBondContact CA-O 3.48Å; P514-W590 HydrophobicContact CB-CE3 3.88Å; P514-W590 HydrophobicContact CB-CZ3 4.17Å; P514-G591 PolarHBondContact O-N 3.5Å; P514-L592 PolarHBondContact O-N 3.2Å
515	T	95	Very high	91.8	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.5	-171.5	-62.1	0	0	0	0	110.6	A508 K513 V517 H559 I560 C561 W590 L592 I594	A508-T515 HydrophobicContact CB-CG2 4.11Å; K513-T515 PolarHBondContact O-N 3.35Å; K513-T515 PolarHBondContact O-OG1 3.2Å; T515-V517 HydrophobicContact CG2-CG2 4.07Å; T515-H559 PolarHBondContact N-O 2.96Å; T515-H559 VanDerWaalsContact N-O 3.11Å; T515-I560 WeakPolarHBondContact O-CA 3.41Å; T515-C561 PolarHBondContact O-N 3.2Å; T515-C561 VanDerWaalsContact O-N 3.08Å; T515-W590 VanDerWaalsContact C-CE3 3.43Å; T515-W590 WeakPolarHBondContact O-CZ3 3.47Å; T515-L592 CarbonylContact C-O 3.6Å; T515-L592 VanDerWaalsContact CA-O 3.29Å; T515-L592 WeakPolarHBondContact CA-O 3.32Å; T515-L592 HydrophobicContact CG2-CB 4.22Å; T515-L592 HydrophobicContact CG2-CD2 4.05Å; T515-L592 HydrophobicContact CG2-CG 4.24Å; T515-I594 HydrophobicContact CG2-CD1 3.92Å; T515-I594 HydrophobicContact CG2-CG1 4.13Å
516	F	95.2	Very high	91.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.5	176.5	-168.2	-120.1	0	0	0	110.2	L518 C561 I568 I585 W590 L592 M593 I594 V613	F516-L518 HydrophobicContact CD1-CD1 3.99Å; F516-L518 HydrophobicContact CD1-CD2 4.42Å; F516-L518 HydrophobicContact CD1-CG 3.9Å; F516-L518 HydrophobicContact CE1-CD1 3.69Å; F516-L518 HydrophobicContact CE1-CD2 3.53Å; F516-L518 HydrophobicContact CE1-CG 3.48Å; F516-L518 VanDerWaalsContact CE1-CG 3.48Å; F516-L518 HydrophobicContact CZ-CD2 3.9Å; F516-L518 HydrophobicContact CZ-CG 4.26Å; F516-C561 CarbonylContact C-O 3.57Å; F516-C561 WeakPolarHBondContact CA-O 3.04Å; F516-C561 HydrophobicContact CD2-CB 3.88Å; F516-C561 HydrophobicContact CE2-CB 4.18Å; F516-I568 HydrophobicContact CZ-CD1 3.92Å; F516-I568 HydrophobicContact CZ-CG1 4.02Å; F516-I585 HydrophobicContact CE2-CD1 4.19Å; F516-I585 HydrophobicContact CE2-CG2 4.24Å; F516-I585 HydrophobicContact CZ-CG2 4.31Å; F516-W590 HydrophobicContact CB-CB 4.48Å; F516-W590 HydrophobicContact CB-CD2 3.65Å; F516-W590 HydrophobicContact CB-CE3 3.65Å; F516-W590 HydrophobicContact CB-CG 4.01Å; F516-W590 HydrophobicContact CB-CZ3 4.15Å; F516-W590 HydrophobicContact CD2-CH2 4.16Å; F516-W590 HydrophobicContact CD2-CZ2 4.01Å; F516-W590 HydrophobicContact CD2-CZ3 4.45Å; F516-W590 HydrophobicContact CG-CD2 4.34Å; F516-L592 PolarHBondContact N-O 3.2Å; F516-M593 HydrophobicContact CD1-CG 4.26Å; F516-M593 HydrophobicContact CD1-SD 4.35Å; F516-M593 CarbonylContact O-C 3.56Å; F516-M593 VanDerWaalsContact O-CA 3.29Å; F516-M593 WeakPolarHBondContact O-CA 3.18Å; F516-I594 PolarHBondContact O-N 3.18Å; F516-V613 HydrophobicContact CD1-CG1 3.86Å; F516-V613 HydrophobicContact CD1-CG2 4.38Å; F516-V613 HydrophobicContact CE1-CG1 4.19Å; F516-V613 HydrophobicContact CE1-CG2 3.87Å; F516-V613 HydrophobicContact CG-CG1 4.41Å; F516-V613 HydrophobicContact CZ-CG2 4.47Å
517	V	96	Very high	91.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.4	-177.3	-173.9	0	0	0	0	109.6	T515 W528 F532 I560 C561 I562 S563 I594	T515-V517 HydrophobicContact CG2-CG2 4.07Å; V517-W528 HydrophobicContact CG1-CD2 3.8Å; V517-W528 HydrophobicContact CG1-CE3 3.97Å; V517-W528 HydrophobicContact CG1-CG 4.12Å; V517-W528 HydrophobicContact CG1-CZ3 4.42Å; V517-F532 HydrophobicContact CG2-CE2 3.95Å; V517-F532 HydrophobicContact CG2-CZ 4.18Å; V517-I560 HydrophobicContact CG2-CG2 4.5Å; V517-C561 PolarHBondContact N-O 2.93Å; V517-I562 HydrophobicContact CB-CB 4.4Å; V517-I562 HydrophobicContact CB-CG1 4.17Å; V517-I562 HydrophobicContact CB-CG2 4.09Å; V517-I562 HydrophobicContact CG1-CG2 4.21Å; V517-I562 HydrophobicContact CG2-CG1 4.42Å; V517-I562 CarbonylContact O-C 3.54Å; V517-I562 WeakPolarHBondContact O-CA 3.27Å; V517-S563 PolarHBondContact O-N 3.03Å; V517-I594 WeakPolarHBondContact CA-O 3.47Å; V517-I594 HydrophobicContact CG1-CB 4.28Å; V517-I594 HydrophobicContact CG1-CG2 4.42Å; V517-I594 HydrophobicContact CG2-CB 4.19Å; V517-I594 HydrophobicContact CG2-CD1 4.17Å; V517-I594 HydrophobicContact CG2-CG1 4.46Å
518	L	94.3	Very high	91.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	-179.8	-74.8	162.3	0	0	0	110.9	F516 S563 Y565 I568 M593 I594 L595 D596 V609	F516-L518 HydrophobicContact CD1-CD1 3.99Å; F516-L518 HydrophobicContact CD1-CD2 4.42Å; F516-L518 HydrophobicContact CD1-CG 3.9Å; F516-L518 HydrophobicContact CE1-CD1 3.69Å; F516-L518 HydrophobicContact CE1-CD2 3.53Å; F516-L518 HydrophobicContact CE1-CG 3.48Å; F516-L518 VanDerWaalsContact CE1-CG 3.48Å; F516-L518 HydrophobicContact CZ-CD2 3.9Å; F516-L518 HydrophobicContact CZ-CG 4.26Å; L518-S563 WeakPolarHBondContact CA-O 3.08Å; L518-Y565 HydrophobicContact CB-CD1 3.93Å; L518-Y565 HydrophobicContact CB-CE1 3.41Å; L518-Y565 VanDerWaalsContact CB-CE1 3.41Å; L518-Y565 HydrophobicContact CD1-CD1 4.3Å; L518-Y565 HydrophobicContact CD1-CE1 3.98Å; L518-Y565 HydrophobicContact CD2-CD1 4.24Å; L518-Y565 HydrophobicContact CG-CD1 4.4Å; L518-Y565 HydrophobicContact CG-CE1 4.18Å; L518-I568 HydrophobicContact CD2-CG1 3.89Å; L518-M593 HydrophobicContact CD1-CG 4.3Å; L518-M593 HydrophobicContact CD1-SD 3.91Å; L518-I594 PolarHBondContact N-O 2.9Å; L518-L595 HydrophobicContact CB-CD2 4.1Å; L518-L595 HydrophobicContact CD1-CD2 3.44Å; L518-L595 VanDerWaalsContact CD1-CD2 3.44Å; L518-L595 HydrophobicContact CG-CD2 4.38Å; L518-D596 WeakPolarHBondContact O-CB 3.33Å; L518-D596 PolarHBondContact O-N 2.81Å; L518-V609 HydrophobicContact CD1-CG1 3.37Å; L518-V609 HydrophobicContact CD2-CG1 4.19Å; L518-V609 HydrophobicContact CG-CG1 4.43Å
519	C	92	Very high	91	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	162.1	-177.5	-59.3	0	0	0	0	111.4	A524 V525 S563 T564 Y565	C519-A524 HydrophobicContact CB-CB 3.85Å; C519-V525 HydrophobicContact CB-CG2 3.88Å; C519-S563 PolarHBondContact N-O 2.99Å; C519-T564 CarbonylContact O-C 3.54Å; C519-T564 WeakPolarHBondContact O-CA 3.5Å; C519-Y565 WeakPolarHBondContact O-CD2 3.44Å; C519-Y565 PolarHBondContact O-N 3.43Å
520	T	85.9	Confident	90.9	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.264	16%	0.163	S	C	.	.	S	Bend	trans	-78.2	-35.7	175.2	51.8	0	0	0	0	113	Y565 E597 T600	T520-Y565 HydrophobicContact CG2-CD2 4.13Å; T520-Y565 HydrophobicContact CG2-CE2 4.03Å; T520-E597 HydrophobicContact CG2-CB 3.89Å; T520-E597 HydrophobicContact CG2-CG 4.48Å; T520-T600 HydrophobicContact CG2-CG2 4.23Å
521	S	84.2	Confident	90.9	Very high	16 Å²	16	29 Å²	29	11%	0.112	16%	0.16	C	C	.	.	S	Bend	trans	-135	161.8	-174.5	81	0	0	0	0	112.8	V523 A524 V525 S769	S521-V523 PolarHBondContact O-N 2.92Å; S521-V523 PolarHBondContact OG-N 3.38Å; S521-A524 PolarHBondContact O-N 3.17Å; S521-A524 PolarHBondContact OG-N 3.04Å; S521-V525 PolarHBondContact O-N 3.27Å; S521-S769 WeakPolarHBondContact OG-CB 3.25Å; S521-S769 PolarHBondContact OG-OG 3.32Å
522	G	85	Confident	91	Very high	42 Å²	42	28.9 Å²	28.9	43%	0.433	16%	0.159	S	C	.	.	H	α-helix	trans	-64.1	-26	174.4	0	0	0	0	0	113.9	V525 E526	G522-V525 WeakPolarHBondContact O-CB 3.34Å; G522-V525 PolarHBondContact O-N 2.94Å; G522-E526 PolarHBondContact O-N 3.08Å
523	V	83.7	Confident	91	Very high	73 Å²	73	29.2 Å²	29.2	44%	0.442	16%	0.163	S	C	.	.	H	α-helix	trans	-72.5	-39.2	176.5	-172.2	0	0	0	0	110.6	S521 V525 E526 Q527 S769	S521-V523 PolarHBondContact O-N 2.92Å; S521-V523 PolarHBondContact OG-N 3.38Å; V523-V525 VanDerWaalsContact C-N 3.27Å; V523-V525 PolarHBondContact O-N 2.86Å; V523-E526 PolarHBondContact O-N 3Å; V523-Q527 WeakPolarHBondContact O-CG 3.03Å; V523-Q527 PolarHBondContact O-N 3.13Å; V523-S769 WeakPolarHBondContact CG1-O 3.22Å
524	A	87	Confident	91	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-37.2	173	0	0	0	0	0	111.5	C519 S521 E526 Q527 W528	C519-A524 HydrophobicContact CB-CB 3.85Å; S521-A524 PolarHBondContact O-N 3.17Å; S521-A524 PolarHBondContact OG-N 3.04Å; A524-E526 PolarHBondContact O-N 3.4Å; A524-Q527 WeakPolarHBondContact O-CB 3.41Å; A524-Q527 PolarHBondContact O-N 3.38Å; A524-W528 VanDerWaalsContact O-CD1 3.25Å; A524-W528 PolarHBondContact O-N 3.29Å
525	V	90.7	Very high	90.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-45.7	174.6	171.3	0	0	0	0	111.9	C519 S521 G522 V523 W528 R529 R545 T547 I562 T564	C519-V525 HydrophobicContact CB-CG2 3.88Å; S521-V525 PolarHBondContact O-N 3.27Å; G522-V525 WeakPolarHBondContact O-CB 3.34Å; G522-V525 PolarHBondContact O-N 2.94Å; V523-V525 VanDerWaalsContact C-N 3.27Å; V523-V525 PolarHBondContact O-N 2.86Å; V525-W528 PolarHBondContact O-N 3.09Å; V525-R529 PolarHBondContact O-N 2.92Å; V525-R545 HydrophobicContact CG1-CB 4.11Å; V525-R545 HydrophobicContact CG1-CG 3.95Å; V525-T547 HydrophobicContact CB-CG2 4.13Å; V525-T547 HydrophobicContact CG1-CG2 3.99Å; V525-T547 HydrophobicContact CG2-CG2 3.86Å; V525-I562 HydrophobicContact CB-CG2 4.07Å; V525-I562 HydrophobicContact CG1-CB 4.08Å; V525-I562 HydrophobicContact CG1-CG2 3.72Å; V525-I562 HydrophobicContact CG2-CG2 4.06Å; V525-T564 HydrophobicContact CG2-CG2 3.8Å
526	E	88.9	Confident	90.8	Very high	82 Å²	82	36.3 Å²	36.3	38%	0.383	20%	0.195	S	C	.	.	H	α-helix	trans	-70	-35.5	179	-165.5	61.7	-143.6	0	0	111.9	G522 V523 A524 R529 A530 R545	G522-E526 PolarHBondContact O-N 3.08Å; V523-E526 PolarHBondContact O-N 3Å; A524-E526 PolarHBondContact O-N 3.4Å; E526-R529 PolarHBondContact O-N 3.4Å; E526-R529 IonicContact OE1-NH1 3.93Å; E526-R529 PolarHBondContact OE1-NH1 2.95Å; E526-R529 IonicContact OE2-NH1 2.63Å; E526-A530 WeakPolarHBondContact O-CB 3.41Å; E526-A530 PolarHBondContact O-N 2.97Å; E526-R545 WeakPolarHBondContact OE2-CD 3.3Å; E526-R545 IonicContact OE2-CZ 2.74Å; E526-R545 IonicContact OE2-NE 3.05Å; E526-R545 IonicContact OE2-NH1 3.03Å; E526-R545 PolarHBondContact OE2-NH1 3.03Å
527	Q	88.6	Confident	90.7	Very high	78 Å²	78	39.7 Å²	39.7	36%	0.364	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-48.9	172.3	-72.4	174.7	-7.3	0	0	111.3	V523 A524 R529 A530 Q531 S769	V523-Q527 WeakPolarHBondContact O-CG 3.03Å; V523-Q527 PolarHBondContact O-N 3.13Å; A524-Q527 WeakPolarHBondContact O-CB 3.41Å; A524-Q527 PolarHBondContact O-N 3.38Å; Q527-R529 PolarHBondContact O-N 3.19Å; Q527-A530 PolarHBondContact O-N 2.99Å; Q527-Q531 VanDerWaalsContact O-CG 3.31Å; Q527-Q531 WeakPolarHBondContact O-CG 3.26Å; Q527-Q531 PolarHBondContact O-N 3.06Å; Q527-S769 PolarHBondContact NE2-O 3.05Å
528	W	93.1	Very high	90.5	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-45.9	177.4	-87.8	96.1	0	0	0	111.7	T501 V505 V517 A524 V525 A530 Q531 F532 I562 I594 D596 L621	T501-W528 HydrophobicContact CG2-CD2 3.7Å; T501-W528 HydrophobicContact CG2-CE3 3.51Å; T501-W528 HydrophobicContact CG2-CG 4.4Å; T501-W528 HydrophobicContact CG2-CH2 3.93Å; T501-W528 HydrophobicContact CG2-CZ2 4.09Å; T501-W528 HydrophobicContact CG2-CZ3 3.64Å; V505-W528 HydrophobicContact CG2-CZ3 4.49Å; V517-W528 HydrophobicContact CG1-CD2 3.8Å; V517-W528 HydrophobicContact CG1-CE3 3.97Å; V517-W528 HydrophobicContact CG1-CG 4.12Å; V517-W528 HydrophobicContact CG1-CZ3 4.42Å; A524-W528 VanDerWaalsContact O-CD1 3.25Å; A524-W528 PolarHBondContact O-N 3.29Å; V525-W528 PolarHBondContact O-N 3.09Å; W528-A530 PolarHBondContact O-N 3.03Å; W528-Q531 PolarHBondContact O-N 3.44Å; W528-F532 HydrophobicContact CE3-CD2 4.25Å; W528-F532 AromaticContact CE3-CE2 3.64Å; W528-F532 HydrophobicContact CE3-CE2 3.64Å; W528-F532 HydrophobicContact CE3-CZ 4.43Å; W528-F532 HydrophobicContact CZ3-CE2 4.12Å; W528-F532 HydrophobicContact CZ3-CZ 4.48Å; W528-F532 VanDerWaalsContact O-CD2 3.29Å; W528-F532 WeakPolarHBondContact O-CD2 3.28Å; W528-F532 PolarHBondContact O-N 3.49Å; W528-I562 HydrophobicContact CB-CD1 4.08Å; W528-I562 HydrophobicContact CB-CG2 4.14Å; W528-I594 HydrophobicContact CH2-CG2 3.75Å; W528-I594 HydrophobicContact CZ2-CG2 4.2Å; W528-I594 HydrophobicContact CZ3-CD1 4.39Å; W528-I594 HydrophobicContact CZ3-CG2 4.35Å; W528-D596 HydrophobicContact CZ2-CB 4.24Å; W528-D596 PolarHBondContact NE1-OD2 2.69Å; W528-L621 HydrophobicContact CH2-CD1 3.61Å; W528-L621 HydrophobicContact CZ2-CD1 3.94Å
529	R	93.2	Very high	90.3	Very high	38 Å²	38	46.8 Å²	46.8	14%	0.143	25%	0.25	C	C	.	.	H	α-helix	trans	-56.4	-48.1	174.3	176.1	178.9	175	-158.8	11	112.1	V525 E526 Q527 Q531 F532 K533 D540 I543 I562	V525-R529 PolarHBondContact O-N 2.92Å; E526-R529 PolarHBondContact O-N 3.4Å; E526-R529 IonicContact OE1-NH1 3.93Å; E526-R529 PolarHBondContact OE1-NH1 2.95Å; E526-R529 IonicContact OE2-NH1 2.63Å; Q527-R529 PolarHBondContact O-N 3.19Å; R529-Q531 VanDerWaalsContact C-N 3.31Å; R529-Q531 PolarHBondContact O-N 3.39Å; R529-F532 PolarHBondContact O-N 3.49Å; R529-K533 PolarHBondContact O-N 2.77Å; R529-D540 IonicContact CZ-OD1 3.68Å; R529-D540 VanDerWaalsContact CZ-OD1 3.23Å; R529-D540 IonicContact CZ-OD2 3.17Å; R529-D540 IonicContact NE-OD1 2.82Å; R529-D540 PolarHBondContact NE-OD1 2.74Å; R529-D540 IonicContact NH2-OD1 2.67Å; R529-D540 PolarHBondContact NH2-OD1 3.46Å; R529-D540 IonicContact NH2-OD2 3.85Å; R529-D540 PolarHBondContact NH2-OD2 2.92Å; R529-I543 HydrophobicContact CB-CG2 4.4Å; R529-I543 HydrophobicContact CG-CD1 4.24Å; R529-I543 HydrophobicContact CG-CG2 4.1Å; R529-I562 HydrophobicContact CB-CD1 4.07Å
530	A	92.2	Very high	90.1	Very high	47 Å²	47	49.6 Å²	49.6	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-39.6	178.8	0	0	0	0	0	112	E526 Q527 W528 K533 L534	E526-A530 WeakPolarHBondContact O-CB 3.41Å; E526-A530 PolarHBondContact O-N 2.97Å; Q527-A530 PolarHBondContact O-N 2.99Å; W528-A530 PolarHBondContact O-N 3.03Å; A530-K533 PolarHBondContact O-N 3.39Å; A530-L534 VanDerWaalsContact O-CB 3.31Å; A530-L534 WeakPolarHBondContact O-CB 3.24Å; A530-L534 PolarHBondContact O-N 2.85Å
531	Q	93	Very high	90.1	Very high	63 Å²	63	50 Å²	50	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-69.8	-40.6	177.9	-64.9	-56	-57.2	0	0	112.6	T501 Q527 W528 R529 K533 L534 W535	T501-Q531 HydrophobicContact CG2-CB 3.56Å; T501-Q531 HydrophobicContact CG2-CG 3.65Å; Q527-Q531 VanDerWaalsContact O-CG 3.31Å; Q527-Q531 WeakPolarHBondContact O-CG 3.26Å; Q527-Q531 PolarHBondContact O-N 3.06Å; W528-Q531 PolarHBondContact O-N 3.44Å; R529-Q531 VanDerWaalsContact C-N 3.31Å; R529-Q531 PolarHBondContact O-N 3.39Å; Q531-K533 VanDerWaalsContact C-N 3.33Å; Q531-K533 PolarHBondContact O-N 2.77Å; Q531-L534 PolarHBondContact O-N 3.25Å; Q531-W535 PolarHBondContact O-N 3.44Å
532	F	94	Very high	90.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-48.6	172.1	-89.1	-73.4	0	0	0	111	V505 A508 V517 W528 R529 L534 S536 I538 I543 I560 I562 I594	V505-F532 HydrophobicContact CB-CD1 4.41Å; V505-F532 HydrophobicContact CB-CE1 4.27Å; V505-F532 HydrophobicContact CG1-CD1 4.01Å; V505-F532 HydrophobicContact CG1-CE1 4.19Å; V505-F532 HydrophobicContact CG2-CD1 3.9Å; V505-F532 HydrophobicContact CG2-CD2 4.28Å; V505-F532 HydrophobicContact CG2-CE1 3.91Å; V505-F532 HydrophobicContact CG2-CE2 4.3Å; V505-F532 HydrophobicContact CG2-CG 4.07Å; V505-F532 HydrophobicContact CG2-CZ 4.11Å; A508-F532 HydrophobicContact CB-CE1 3.94Å; A508-F532 HydrophobicContact CB-CZ 4.32Å; V517-F532 HydrophobicContact CG2-CE2 3.95Å; V517-F532 HydrophobicContact CG2-CZ 4.18Å; W528-F532 HydrophobicContact CE3-CD2 4.25Å; W528-F532 AromaticContact CE3-CE2 3.64Å; W528-F532 HydrophobicContact CE3-CE2 3.64Å; W528-F532 HydrophobicContact CE3-CZ 4.43Å; W528-F532 HydrophobicContact CZ3-CE2 4.12Å; W528-F532 HydrophobicContact CZ3-CZ 4.48Å; W528-F532 VanDerWaalsContact O-CD2 3.29Å; W528-F532 WeakPolarHBondContact O-CD2 3.28Å; W528-F532 PolarHBondContact O-N 3.49Å; R529-F532 PolarHBondContact O-N 3.49Å; F532-L534 VanDerWaalsContact C-N 3.29Å; F532-L534 PolarHBondContact O-N 2.95Å; F532-S536 WeakPolarHBondContact O-CA 3.47Å; F532-S536 WeakPolarHBondContact O-CB 3.4Å; F532-S536 PolarHBondContact O-N 2.78Å; F532-S536 PolarHBondContact O-OG 3.32Å; F532-I538 HydrophobicContact CB-CG2 4.3Å; F532-I543 HydrophobicContact CB-CD1 3.82Å; F532-I560 HydrophobicContact CD1-CD1 3.69Å; F532-I560 HydrophobicContact CE1-CD1 3.58Å; F532-I560 HydrophobicContact CE2-CG2 4.33Å; F532-I560 HydrophobicContact CG-CD1 4.38Å; F532-I560 HydrophobicContact CZ-CD1 4.18Å; F532-I560 HydrophobicContact CZ-CG2 4.41Å; F532-I562 HydrophobicContact CD2-CD1 4.15Å; F532-I562 HydrophobicContact CE2-CD1 4.49Å; F532-I594 HydrophobicContact CZ-CD1 4.49Å
533	K	92.8	Very high	90.7	Very high	110 Å²	110	49.1 Å²	49.1	48%	0.478	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-35.6	177.8	-176.2	175	-179	173.2	0	113	K465 R529 A530 Q531	K465-K533 PolarHBondContact NZ-O 2.99Å; R529-K533 PolarHBondContact O-N 2.77Å; A530-K533 PolarHBondContact O-N 3.39Å; Q531-K533 VanDerWaalsContact C-N 3.33Å; Q531-K533 PolarHBondContact O-N 2.77Å
534	L	92	Very high	91.1	Very high	92 Å²	92	45.8 Å²	45.8	48%	0.482	24%	0.24	S	C	.	.	H	α-helix	trans	-71.6	-51.7	-178.5	-177.1	60.6	0	0	0	111.6	K465 A530 Q531 F532	K465-L534 WeakPolarHBondContact CD-O 3.1Å; K465-L534 PolarHBondContact NZ-O 2.84Å; A530-L534 VanDerWaalsContact O-CB 3.31Å; A530-L534 WeakPolarHBondContact O-CB 3.24Å; A530-L534 PolarHBondContact O-N 2.85Å; Q531-L534 PolarHBondContact O-N 3.25Å; F532-L534 VanDerWaalsContact C-N 3.29Å; F532-L534 PolarHBondContact O-N 2.95Å
535	W	92.7	Very high	91.4	Very high	70 Å²	70	47.9 Å²	47.9	27%	0.265	25%	0.247	S	C	.	.	H	α-helix	trans	-94.5	-24	-168.6	-59.4	108.7	0	0	0	114.5	L464 K465 T468 L502 V505 Q531	L464-W535 HydrophobicContact CD1-CB 4.41Å; K465-W535 PolarHBondContact N-O 2.86Å; T468-W535 HydrophobicContact CG2-CB 4.48Å; T468-W535 HydrophobicContact CG2-CD2 4.35Å; T468-W535 HydrophobicContact CG2-CE3 3.28Å; T468-W535 HydrophobicContact CG2-CZ3 3.83Å; L502-W535 HydrophobicContact CD1-CB 3.92Å; L502-W535 HydrophobicContact CD1-CD2 3.74Å; L502-W535 HydrophobicContact CD1-CE3 4.04Å; L502-W535 HydrophobicContact CD1-CG 3.61Å; V505-W535 HydrophobicContact CG1-CB 4.17Å; Q531-W535 PolarHBondContact O-N 3.44Å
536	S	93	Very high	91.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-109.2	165	179.2	77.8	0	0	0	0	112.6	D463 K465 F532 I538	D463-S536 CarbonylContact O-C 3.42Å; D463-S536 VanDerWaalsContact O-CA 3.28Å; D463-S536 WeakPolarHBondContact O-CA 3.36Å; K465-S536 WeakPolarHBondContact CE-O 3.19Å; K465-S536 PolarHBondContact NZ-O 2.85Å; F532-S536 WeakPolarHBondContact O-CA 3.47Å; F532-S536 WeakPolarHBondContact O-CB 3.4Å; F532-S536 PolarHBondContact O-N 2.78Å; F532-S536 PolarHBondContact O-OG 3.32Å; S536-I538 PolarHBondContact O-N 2.89Å; S536-I538 WeakPolarHBondContact OG-CG2 3.12Å
537	T	93.1	Very high	91.3	Very high	72 Å²	72	44.6 Å²	44.6	44%	0.442	23%	0.232	S	C	.	.			trans	-79.8	1.1	177.4	54.6	0	0	0	0	114.1	D463 K465	D463-T537 HydrophobicContact CB-CG2 4.29Å; D463-T537 PolarHBondContact N-OG1 3.3Å; D463-T537 PolarHBondContact O-N 3.3Å; D463-T537 PolarHBondContact O-OG1 2.76Å; K465-T537 HydrophobicContact CG-CG2 4.12Å
538	I	91.7	Very high	90.9	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.046	24%	0.241	C	C	.	.			trans	-64.2	141.6	-174.4	-159.9	172.8	0	0	0	112.6	I462 F532 S536 Q542 I543 I560	I462-I538 HydrophobicContact CD1-CB 4.34Å; I462-I538 HydrophobicContact CD1-CD1 4.41Å; F532-I538 HydrophobicContact CB-CG2 4.3Å; S536-I538 PolarHBondContact O-N 2.89Å; S536-I538 WeakPolarHBondContact OG-CG2 3.12Å; I538-Q542 HydrophobicContact CD1-CB 3.99Å; I538-Q542 HydrophobicContact CG1-CB 3.87Å; I538-Q542 VanDerWaalsContact CG1-OE1 3.27Å; I538-I543 HydrophobicContact CD1-CG1 3.95Å; I538-I543 HydrophobicContact CG1-CG1 4.43Å; I538-I543 HydrophobicContact CG2-CD1 3.77Å; I538-I543 HydrophobicContact CG2-CG1 4.09Å; I538-I560 HydrophobicContact CD1-CB 4.25Å; I538-I560 HydrophobicContact CD1-CD1 3.38Å; I538-I560 HydrophobicContact CD1-CG1 3.62Å
539	E	89.7	Confident	90.2	Very high	140 Å²	140	51.8 Å²	51.8	65%	0.654	28%	0.28	S	S	*	.			trans	-80.7	149.2	174.3	-64.7	-175.8	174.1	0	0	111.7	G541 Q542	E539-G541 PolarHBondContact O-N 3.19Å; E539-Q542 HydrophobicContact CB-CG 4.27Å; E539-Q542 WeakPolarHBondContact O-CB 3.39Å; E539-Q542 PolarHBondContact O-N 3.48Å
540	D	87.3	Confident	89.5	Confident	59 Å²	59	50.9 Å²	50.9	32%	0.316	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.6	-176.9	-167.1	44.7	0	0	0	112.8	R529 Q542 I543	R529-D540 IonicContact CZ-OD1 3.68Å; R529-D540 VanDerWaalsContact CZ-OD1 3.23Å; R529-D540 IonicContact CZ-OD2 3.17Å; R529-D540 IonicContact NE-OD1 2.82Å; R529-D540 PolarHBondContact NE-OD1 2.74Å; R529-D540 IonicContact NH2-OD1 2.67Å; R529-D540 PolarHBondContact NH2-OD1 3.46Å; R529-D540 IonicContact NH2-OD2 3.85Å; R529-D540 PolarHBondContact NH2-OD2 2.92Å; D540-Q542 PolarHBondContact O-N 2.96Å; D540-I543 PolarHBondContact O-N 3.21Å
541	G	86.6	Confident	88.8	Confident	51 Å²	51	52.2 Å²	52.2	53%	0.526	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-72.4	-11.9	177.1	0	0	0	0	0	114.8	E539	E539-G541 PolarHBondContact O-N 3.19Å
542	Q	90.1	Very high	88.3	Confident	32 Å²	32	51.3 Å²	51.3	15%	0.15	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-93.5	-12.2	177.5	-59	177.7	-55.4	0	0	112.5	I538 E539 D540 N557 H559 I560	I538-Q542 HydrophobicContact CD1-CB 3.99Å; I538-Q542 HydrophobicContact CG1-CB 3.87Å; I538-Q542 VanDerWaalsContact CG1-OE1 3.27Å; E539-Q542 HydrophobicContact CB-CG 4.27Å; E539-Q542 WeakPolarHBondContact O-CB 3.39Å; E539-Q542 PolarHBondContact O-N 3.48Å; D540-Q542 PolarHBondContact O-N 2.96Å; Q542-N557 WeakPolarHBondContact CB-O 3.42Å; Q542-N557 WeakPolarHBondContact CG-O 3.49Å; Q542-H559 PolarHBondContact O-N 2.8Å; Q542-H559 VanDerWaalsContact O-N 3.1Å; Q542-I560 PolarHBondContact O-N 2.83Å
543	I	92	Very high	87.6	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.4	175.4	-54.6	173.5	0	0	0	108.8	R529 F532 I538 D540 I560 I562	R529-I543 HydrophobicContact CB-CG2 4.4Å; R529-I543 HydrophobicContact CG-CD1 4.24Å; R529-I543 HydrophobicContact CG-CG2 4.1Å; F532-I543 HydrophobicContact CB-CD1 3.82Å; I538-I543 HydrophobicContact CD1-CG1 3.95Å; I538-I543 HydrophobicContact CG1-CG1 4.43Å; I538-I543 HydrophobicContact CG2-CD1 3.77Å; I538-I543 HydrophobicContact CG2-CG1 4.09Å; D540-I543 PolarHBondContact O-N 3.21Å; I543-I560 WeakPolarHBondContact CA-O 3.43Å; I543-I562 HydrophobicContact CG2-CD1 3.65Å; I543-I562 HydrophobicContact CG2-CG1 4.14Å
544	L	92.1	Very high	86.8	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.1	177.9	-167.6	81.9	0	0	0	110	D552 R553 I560 C561 I562 M581 W584	L544-D552 HydrophobicContact CD1-CB 3.65Å; L544-D552 WeakPolarHBondContact CD1-O 3.29Å; L544-D552 HydrophobicContact CG-CB 4.27Å; L544-R553 WeakPolarHBondContact CD1-O 3.16Å; L544-I560 PolarHBondContact N-O 3Å; L544-C561 HydrophobicContact CB-CB 4.29Å; L544-C561 HydrophobicContact CD2-CB 4.25Å; L544-C561 WeakPolarHBondContact O-CA 3.25Å; L544-I562 PolarHBondContact O-N 3.26Å; L544-M581 HydrophobicContact CD1-CE 4.26Å; L544-M581 HydrophobicContact CD2-CE 3.72Å; L544-M581 HydrophobicContact CD2-SD 3.67Å; L544-M581 HydrophobicContact CG-CE 4.32Å; L544-W584 HydrophobicContact CD2-CE3 4.43Å; L544-W584 HydrophobicContact CD2-CH2 4.26Å; L544-W584 HydrophobicContact CD2-CZ3 3.72Å
545	R	92.4	Very high	86.1	Confident	48 Å²	48	57.8 Å²	57.8	18%	0.181	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134	167.2	-58.2	169.7	-65.8	163.9	12.6	110.2	V525 E526 A550 D552 I562	V525-R545 HydrophobicContact CG1-CB 4.11Å; V525-R545 HydrophobicContact CG1-CG 3.95Å; E526-R545 WeakPolarHBondContact OE2-CD 3.3Å; E526-R545 IonicContact OE2-CZ 2.74Å; E526-R545 IonicContact OE2-NE 3.05Å; E526-R545 IonicContact OE2-NH1 3.03Å; E526-R545 PolarHBondContact OE2-NH1 3.03Å; R545-A550 HydrophobicContact CB-CB 4.41Å; R545-D552 VanDerWaalsContact CB-OD2 3.28Å; R545-D552 WeakPolarHBondContact CB-OD2 3.42Å; R545-D552 IonicContact CZ-OD1 2.84Å; R545-D552 IonicContact CZ-OD2 3.23Å; R545-D552 PolarHBondContact N-OD2 3.24Å; R545-D552 IonicContact NE-OD1 2.86Å; R545-D552 IonicContact NE-OD2 2.78Å; R545-D552 PolarHBondContact NE-OD2 3.02Å; R545-D552 IonicContact NH2-OD1 2.84Å; R545-D552 PolarHBondContact NH2-OD1 3.22Å; R545-D552 IonicContact NH2-OD2 3.85Å; R545-D552 PolarHBondContact NH2-OD2 3.22Å; R545-D552 PolarHBondContact O-N 3.4Å; R545-I562 WeakPolarHBondContact CA-O 3.4Å
546	F	90.3	Very high	85.2	Confident	2 Å²	2	62 Å²	62	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	89.6	175.7	-175.4	-131.6	0	0	0	111.1	I562 S563 M567 I568 A578 M581 M582 I585	F546-I562 PolarHBondContact N-O 3.47Å; F546-S563 VanDerWaalsContact CD1-OG 3.3Å; F546-S563 WeakPolarHBondContact CD1-OG 3.47Å; F546-S563 WeakPolarHBondContact O-CA 3.29Å; F546-S563 WeakPolarHBondContact O-CB 3.29Å; F546-S563 PolarHBondContact O-OG 3.24Å; F546-M567 HydrophobicContact CD1-CG 3.95Å; F546-M567 HydrophobicContact CD2-CE 4.17Å; F546-M567 HydrophobicContact CE1-CE 4.28Å; F546-M567 HydrophobicContact CE1-CG 3.6Å; F546-M567 HydrophobicContact CE2-CE 3.43Å; F546-M567 VanDerWaalsContact CE2-CE 3.43Å; F546-M567 HydrophobicContact CE2-CG 4.32Å; F546-M567 HydrophobicContact CG-CG 4.45Å; F546-M567 HydrophobicContact CZ-CE 3.51Å; F546-M567 HydrophobicContact CZ-CG 3.81Å; F546-M567 HydrophobicContact CZ-SD 4.49Å; F546-I568 HydrophobicContact CD1-CD1 3.84Å; F546-I568 HydrophobicContact CE1-CD1 3.81Å; F546-A578 HydrophobicContact CE2-CB 4.12Å; F546-A578 HydrophobicContact CZ-CB 4.1Å; F546-M581 HydrophobicContact CD1-CG 4.2Å; F546-M581 HydrophobicContact CD2-CB 4.28Å; F546-M581 HydrophobicContact CD2-CG 3.72Å; F546-M581 HydrophobicContact CE1-CG 4.2Å; F546-M581 HydrophobicContact CE2-CB 3.8Å; F546-M581 HydrophobicContact CE2-CG 3.72Å; F546-M581 HydrophobicContact CG-CG 3.97Å; F546-M581 HydrophobicContact CZ-CB 3.98Å; F546-M581 HydrophobicContact CZ-CG 3.96Å; F546-M582 HydrophobicContact CE1-CG 4.31Å; F546-M582 HydrophobicContact CE1-SD 3.83Å; F546-M582 HydrophobicContact CZ-CG 4.31Å; F546-M582 HydrophobicContact CZ-SD 4.42Å; F546-I585 HydrophobicContact CD1-CD1 3.91Å; F546-I585 HydrophobicContact CE1-CD1 4.15Å
547	T	87.5	Confident	84.4	Confident	12 Å²	12	66.7 Å²	66.7	7%	0.074	36%	0.355	C	S	.	.	S	Bend	trans	-127.9	178.7	175.9	69.1	0	0	0	0	110.5	V525 D549 A550 T564	V525-T547 HydrophobicContact CB-CG2 4.13Å; V525-T547 HydrophobicContact CG1-CG2 3.99Å; V525-T547 HydrophobicContact CG2-CG2 3.86Å; T547-D549 VanDerWaalsContact C-N 3.25Å; T547-D549 PolarHBondContact O-N 3.01Å; T547-D549 PolarHBondContact OG1-N 3.3Å; T547-A550 PolarHBondContact N-O 3.3Å; T547-A550 PolarHBondContact OG1-N 2.77Å; T547-A550 PolarHBondContact OG1-O 2.91Å; T547-T564 HydrophobicContact CG2-CG2 4.17Å
548	S	80.1	Confident	83.7	Confident	80 Å²	80	63.8 Å²	63.8	56%	0.559	34%	0.338	S	S	*	.	S	Bend	trans	-59.5	-39.5	173.6	53.3	0	0	0	0	112.1
549	D	79.4	Confident	83.3	Confident	152 Å²	152	65 Å²	65	81%	0.813	34%	0.343	S	S	*	.	S	Bend	trans	-97.7	-29.2	-167.8	-53.9	-11.1	0	0	0	112.1	T547	T547-D549 VanDerWaalsContact C-N 3.25Å; T547-D549 PolarHBondContact O-N 3.01Å; T547-D549 PolarHBondContact OG1-N 3.3Å
550	A	76.6	Confident	83.4	Confident	20 Å²	20	58.4 Å²	58.4	17%	0.165	31%	0.312	C	S	.	.			trans	-120.5	111	178.8	0	0	0	0	0	110	R545 T547	R545-A550 HydrophobicContact CB-CB 4.41Å; T547-A550 PolarHBondContact N-O 3.3Å; T547-A550 PolarHBondContact OG1-N 2.77Å; T547-A550 PolarHBondContact OG1-O 2.91Å
551	K	77.8	Confident	83.8	Confident	74 Å²	74	55.6 Å²	55.6	32%	0.322	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-119.6	80.8	177.2	-62.6	177.9	-171.3	170.7	0	108.6	S575	K551-S575 PolarHBondContact NZ-OG 3.07Å
552	D	82.4	Confident	84.2	Confident	45 Å²	45	53.2 Å²	53.2	24%	0.241	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-66.1	144.6	173.4	-59	-29.2	0	0	0	107.9	L544 R545 M581	L544-D552 HydrophobicContact CD1-CB 3.65Å; L544-D552 WeakPolarHBondContact CD1-O 3.29Å; L544-D552 HydrophobicContact CG-CB 4.27Å; R545-D552 VanDerWaalsContact CB-OD2 3.28Å; R545-D552 WeakPolarHBondContact CB-OD2 3.42Å; R545-D552 IonicContact CZ-OD1 2.84Å; R545-D552 IonicContact CZ-OD2 3.23Å; R545-D552 PolarHBondContact N-OD2 3.24Å; R545-D552 IonicContact NE-OD1 2.86Å; R545-D552 IonicContact NE-OD2 2.78Å; R545-D552 PolarHBondContact NE-OD2 3.02Å; R545-D552 IonicContact NH2-OD1 2.84Å; R545-D552 PolarHBondContact NH2-OD1 3.22Å; R545-D552 IonicContact NH2-OD2 3.85Å; R545-D552 PolarHBondContact NH2-OD2 3.22Å; R545-D552 PolarHBondContact O-N 3.4Å; D552-M581 WeakPolarHBondContact O-CE 3.21Å
553	R	78.9	Confident	84.3	Confident	188 Å²	188	51.7 Å²	51.7	71%	0.709	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-86	140.5	-179.6	-69.6	179.8	-179.4	167.9	1.1	110.1	L544 N555	L544-R553 WeakPolarHBondContact CD1-O 3.16Å; R553-N555 PolarHBondContact O-N 3.02Å
554	P	77.1	Confident	84.3	Confident	49 Å²	49	51.8 Å²	51.8	32%	0.318	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-70.8	126.5	-179.6	29.9	-30.4	0	0	0	109.5	M581 W584	P554-M581 HydrophobicContact CB-SD 4.38Å; P554-M581 HydrophobicContact CG-CE 4.31Å; P554-M581 HydrophobicContact CG-SD 4.2Å; P554-W584 HydrophobicContact CB-CD2 4.06Å; P554-W584 HydrophobicContact CB-CE3 4.29Å; P554-W584 HydrophobicContact CB-CG 4.49Å; P554-W584 HydrophobicContact CB-CZ2 4.4Å
555	N	76.9	Confident	84.2	Confident	101 Å²	101	51.6 Å²	51.6	54%	0.54	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-101.1	162.5	171.3	-69	-19.7	0	0	0	109.5	R553 N557 S558	R553-N555 PolarHBondContact O-N 3.02Å; N555-N557 PolarHBondContact O-N 3.25Å; N555-N557 VanDerWaalsContact O-N 3.11Å; N555-S558 PolarHBondContact N-OG 3.34Å; N555-S558 WeakPolarHBondContact O-CB 3.34Å; N555-S558 PolarHBondContact O-N 3.39Å; N555-S558 PolarHBondContact O-OG 3Å
556	I	73.2	Confident	84	Confident	158 Å²	158	52.3 Å²	52.3	81%	0.81	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.6	176.7	-62	165.9	0	0	0	111.5
557	N	76.5	Confident	83.9	Confident	99 Å²	99	53.7 Å²	53.7	53%	0.529	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	10.4	179.7	-59.2	-8.2	0	0	0	112.9	Q542 N555 H559	Q542-N557 WeakPolarHBondContact CB-O 3.42Å; Q542-N557 WeakPolarHBondContact CG-O 3.49Å; N555-N557 PolarHBondContact O-N 3.25Å; N555-N557 VanDerWaalsContact O-N 3.11Å; N557-H559 PolarHBondContact O-CD2 3.48Å; N557-H559 PolarHBondContact O-N 3.24Å; N557-H559 PolarHBondContact O-NE2 3.44Å
558	S	78	Confident	84	Confident	11 Å²	11	53.1 Å²	53.1	8%	0.077	28%	0.281	C	S	.	.			trans	-76.3	112.8	174.8	-65.2	0	0	0	0	109	N555	N555-S558 PolarHBondContact N-OG 3.34Å; N555-S558 WeakPolarHBondContact O-CB 3.34Å; N555-S558 PolarHBondContact O-N 3.39Å; N555-S558 PolarHBondContact O-OG 3Å
559	H	84.2	Confident	84.2	Confident	34 Å²	34	49.4 Å²	49.4	16%	0.157	26%	0.255	C	S	.	.			trans	-114.9	-28.6	-170.7	-65.5	-49.9	0	0	0	112.9	I460 P514 T515 Q542 N557	I460-H559 HydrophobicContact CD1-CB 3.57Å; I460-H559 HydrophobicContact CG1-CB 3.8Å; I460-H559 HydrophobicContact CG2-CB 3.95Å; P514-H559 WeakPolarHBondContact CA-O 3.48Å; T515-H559 PolarHBondContact N-O 2.96Å; T515-H559 VanDerWaalsContact N-O 3.11Å; Q542-H559 PolarHBondContact O-N 2.8Å; Q542-H559 VanDerWaalsContact O-N 3.1Å; N557-H559 PolarHBondContact O-CD2 3.48Å; N557-H559 PolarHBondContact O-N 3.24Å; N557-H559 PolarHBondContact O-NE2 3.44Å
560	I	92.7	Very high	84.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.8	178	-58.6	-168.6	0	0	0	108.3	I462 T515 V517 F532 I538 Q542 I543 L544 I562	I462-I560 HydrophobicContact CD1-CD1 3.84Å; T515-I560 WeakPolarHBondContact O-CA 3.41Å; V517-I560 HydrophobicContact CG2-CG2 4.5Å; F532-I560 HydrophobicContact CD1-CD1 3.69Å; F532-I560 HydrophobicContact CE1-CD1 3.58Å; F532-I560 HydrophobicContact CE2-CG2 4.33Å; F532-I560 HydrophobicContact CG-CD1 4.38Å; F532-I560 HydrophobicContact CZ-CD1 4.18Å; F532-I560 HydrophobicContact CZ-CG2 4.41Å; I538-I560 HydrophobicContact CD1-CB 4.25Å; I538-I560 HydrophobicContact CD1-CD1 3.38Å; I538-I560 HydrophobicContact CD1-CG1 3.62Å; Q542-I560 PolarHBondContact O-N 2.83Å; I543-I560 WeakPolarHBondContact CA-O 3.43Å; L544-I560 PolarHBondContact N-O 3Å; I560-I562 HydrophobicContact CG2-CG1 4.07Å
561	C	94.1	Very high	84.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	174	177	0	0	0	0	109.8	T515 F516 V517 L544 W584 W590	T515-C561 PolarHBondContact O-N 3.2Å; T515-C561 VanDerWaalsContact O-N 3.08Å; F516-C561 CarbonylContact C-O 3.57Å; F516-C561 WeakPolarHBondContact CA-O 3.04Å; F516-C561 HydrophobicContact CD2-CB 3.88Å; F516-C561 HydrophobicContact CE2-CB 4.18Å; V517-C561 PolarHBondContact N-O 2.93Å; L544-C561 HydrophobicContact CB-CB 4.29Å; L544-C561 HydrophobicContact CD2-CB 4.25Å; L544-C561 WeakPolarHBondContact O-CA 3.25Å; C561-W584 HydrophobicContact CB-CZ3 4.34Å; C561-W590 HydrophobicContact CB-CH2 3.49Å; C561-W590 VanDerWaalsContact CB-CH2 3.49Å; C561-W590 HydrophobicContact CB-CZ2 4.28Å; C561-W590 HydrophobicContact CB-CZ3 4.12Å
562	I	95	Very high	84.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.2	-178.7	-46.8	177.3	0	0	0	107.9	V517 V525 W528 R529 F532 I543 L544 R545 F546 I560	V517-I562 HydrophobicContact CB-CB 4.4Å; V517-I562 HydrophobicContact CB-CG1 4.17Å; V517-I562 HydrophobicContact CB-CG2 4.09Å; V517-I562 HydrophobicContact CG1-CG2 4.21Å; V517-I562 HydrophobicContact CG2-CG1 4.42Å; V517-I562 CarbonylContact O-C 3.54Å; V517-I562 WeakPolarHBondContact O-CA 3.27Å; V525-I562 HydrophobicContact CB-CG2 4.07Å; V525-I562 HydrophobicContact CG1-CB 4.08Å; V525-I562 HydrophobicContact CG1-CG2 3.72Å; V525-I562 HydrophobicContact CG2-CG2 4.06Å; W528-I562 HydrophobicContact CB-CD1 4.08Å; W528-I562 HydrophobicContact CB-CG2 4.14Å; R529-I562 HydrophobicContact CB-CD1 4.07Å; F532-I562 HydrophobicContact CD2-CD1 4.15Å; F532-I562 HydrophobicContact CE2-CD1 4.49Å; I543-I562 HydrophobicContact CG2-CD1 3.65Å; I543-I562 HydrophobicContact CG2-CG1 4.14Å; L544-I562 PolarHBondContact O-N 3.26Å; R545-I562 WeakPolarHBondContact CA-O 3.4Å; F546-I562 PolarHBondContact N-O 3.47Å; I560-I562 HydrophobicContact CG2-CG1 4.07Å
563	S	93.4	Very high	84.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	174.2	-176.6	-166.1	0	0	0	0	112.1	V517 L518 C519 F546	V517-S563 PolarHBondContact O-N 3.03Å; L518-S563 WeakPolarHBondContact CA-O 3.08Å; C519-S563 PolarHBondContact N-O 2.99Å; F546-S563 VanDerWaalsContact CD1-OG 3.3Å; F546-S563 WeakPolarHBondContact CD1-OG 3.47Å; F546-S563 WeakPolarHBondContact O-CA 3.29Å; F546-S563 WeakPolarHBondContact O-CB 3.29Å; F546-S563 PolarHBondContact O-OG 3.24Å
564	T	91.4	Very high	84.5	Confident	9 Å²	9	49.9 Å²	49.9	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	149.1	173.6	64	0	0	0	0	111.8	C519 V525 T547 S566 M567 I568	C519-T564 CarbonylContact O-C 3.54Å; C519-T564 WeakPolarHBondContact O-CA 3.5Å; V525-T564 HydrophobicContact CG2-CG2 3.8Å; T547-T564 HydrophobicContact CG2-CG2 4.17Å; T564-S566 VanDerWaalsContact C-N 3.25Å; T564-S566 PolarHBondContact O-N 2.85Å; T564-S566 PolarHBondContact OG1-OG 3.49Å; T564-M567 PolarHBondContact O-N 3.44Å; T564-M567 WeakPolarHBondContact OG1-CB 3.39Å; T564-M567 PolarHBondContact OG1-N 3.31Å; T564-I568 PolarHBondContact O-N 3.13Å
565	Y	90.6	Very high	84.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-54.7	-41.6	176.2	-66.3	-65.1	0	0	0	112.8	L518 C519 T520 M567 I568 A569 L595 D596 I601 F606	L518-Y565 HydrophobicContact CB-CD1 3.93Å; L518-Y565 HydrophobicContact CB-CE1 3.41Å; L518-Y565 VanDerWaalsContact CB-CE1 3.41Å; L518-Y565 HydrophobicContact CD1-CD1 4.3Å; L518-Y565 HydrophobicContact CD1-CE1 3.98Å; L518-Y565 HydrophobicContact CD2-CD1 4.24Å; L518-Y565 HydrophobicContact CG-CD1 4.4Å; L518-Y565 HydrophobicContact CG-CE1 4.18Å; C519-Y565 WeakPolarHBondContact O-CD2 3.44Å; C519-Y565 PolarHBondContact O-N 3.43Å; T520-Y565 HydrophobicContact CG2-CD2 4.13Å; T520-Y565 HydrophobicContact CG2-CE2 4.03Å; Y565-M567 PolarHBondContact O-N 2.91Å; Y565-I568 PolarHBondContact O-N 3.02Å; Y565-A569 WeakPolarHBondContact O-CB 3.3Å; Y565-A569 PolarHBondContact O-N 3.42Å; Y565-L595 HydrophobicContact CE1-CD2 3.98Å; Y565-L595 WeakPolarHBondContact OH-CA 3.09Å; Y565-L595 WeakPolarHBondContact OH-CB 3.44Å; Y565-D596 VanDerWaalsContact CE2-O 3.32Å; Y565-D596 WeakPolarHBondContact CE2-O 3.5Å; Y565-D596 PolarHBondContact OH-N 3.48Å; Y565-D596 PolarHBondContact OH-O 3.16Å; Y565-I601 HydrophobicContact CD1-CD1 3.93Å; Y565-I601 HydrophobicContact CE1-CD1 3.25Å; Y565-I601 HydrophobicContact CE1-CG1 4.48Å; Y565-F606 VanDerWaalsContact CB-CE1 3.44Å; Y565-F606 HydrophobicContact CG-CD1 4.38Å; Y565-F606 HydrophobicContact CG-CG 4.44Å
566	S	87	Confident	85.2	Confident	63 Å²	63	53.4 Å²	53.4	44%	0.441	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-39.2	-179.9	53.5	0	0	0	0	113.2	T564 H570	T564-S566 VanDerWaalsContact C-N 3.25Å; T564-S566 PolarHBondContact O-N 2.85Å; T564-S566 PolarHBondContact OG1-OG 3.49Å; S566-H570 WeakPolarHBondContact O-CB 3.44Å; S566-H570 PolarHBondContact O-N 2.66Å; S566-H570 VanDerWaalsContact O-N 3.08Å
567	M	88.1	Confident	85.7	Confident	30 Å²	30	50.6 Å²	50.6	15%	0.148	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-40.2	-178.6	-169	65.7	169.8	0	0	111.8	F546 T564 Y565 R574 A578	F546-M567 HydrophobicContact CD1-CG 3.95Å; F546-M567 HydrophobicContact CD2-CE 4.17Å; F546-M567 HydrophobicContact CE1-CE 4.28Å; F546-M567 HydrophobicContact CE1-CG 3.6Å; F546-M567 HydrophobicContact CE2-CE 3.43Å; F546-M567 VanDerWaalsContact CE2-CE 3.43Å; F546-M567 HydrophobicContact CE2-CG 4.32Å; F546-M567 HydrophobicContact CG-CG 4.45Å; F546-M567 HydrophobicContact CZ-CE 3.51Å; F546-M567 HydrophobicContact CZ-CG 3.81Å; F546-M567 HydrophobicContact CZ-SD 4.49Å; T564-M567 PolarHBondContact O-N 3.44Å; T564-M567 WeakPolarHBondContact OG1-CB 3.39Å; T564-M567 PolarHBondContact OG1-N 3.31Å; Y565-M567 PolarHBondContact O-N 2.91Å; M567-R574 PolarHBondContact O-NH2 3.33Å; M567-R574 VanDerWaalsContact O-NH2 3.07Å; M567-A578 HydrophobicContact CE-CB 3.88Å
568	I	89.5	Confident	86.1	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-75.3	-42.3	179.3	-56.5	-56.8	0	0	0	111.3	F516 L518 F546 T564 Y565 H570 R574 M582 I585 V609 V613	F516-I568 HydrophobicContact CZ-CD1 3.92Å; F516-I568 HydrophobicContact CZ-CG1 4.02Å; L518-I568 HydrophobicContact CD2-CG1 3.89Å; F546-I568 HydrophobicContact CD1-CD1 3.84Å; F546-I568 HydrophobicContact CE1-CD1 3.81Å; T564-I568 PolarHBondContact O-N 3.13Å; Y565-I568 PolarHBondContact O-N 3.02Å; I568-H570 VanDerWaalsContact C-N 3.32Å; I568-H570 PolarHBondContact O-N 2.85Å; I568-R574 PolarHBondContact O-NH2 3.32Å; I568-M582 HydrophobicContact CD1-CE 4.45Å; I568-M582 HydrophobicContact CD1-SD 3.62Å; I568-M582 HydrophobicContact CG2-CE 4.21Å; I568-I585 HydrophobicContact CD1-CD1 4.06Å; I568-V609 HydrophobicContact CB-CG1 4.37Å; I568-V609 HydrophobicContact CB-CG2 4.21Å; I568-V609 HydrophobicContact CG2-CB 4.37Å; I568-V609 HydrophobicContact CG2-CG1 3.85Å; I568-V609 HydrophobicContact CG2-CG2 4.06Å; I568-V613 HydrophobicContact CG2-CG2 4.26Å
569	A	85.9	Confident	86.5	Confident	2 Å²	2	49 Å²	49	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-76.7	-15.4	-177.2	0	0	0	0	0	114.7	Y565 S571 M605 F606 V609	Y565-A569 WeakPolarHBondContact O-CB 3.3Å; Y565-A569 PolarHBondContact O-N 3.42Å; A569-S571 PolarHBondContact O-N 2.94Å; A569-M605 HydrophobicContact CB-CG 3.56Å; A569-M605 VanDerWaalsContact CB-O 3.26Å; A569-M605 WeakPolarHBondContact CB-O 3.45Å; A569-M605 HydrophobicContact CB-SD 4.37Å; A569-F606 HydrophobicContact CB-CD1 4.27Å; A569-V609 HydrophobicContact CB-CG2 3.88Å
570	H	84	Confident	86.6	Confident	88 Å²	88	54.4 Å²	54.4	41%	0.407	27%	0.273	S	S	.	.			trans	-52.4	124.5	-179.2	-167	-96.3	0	0	0	111.7	S566 I568 A572 R574	S566-H570 WeakPolarHBondContact O-CB 3.44Å; S566-H570 PolarHBondContact O-N 2.66Å; S566-H570 VanDerWaalsContact O-N 3.08Å; I568-H570 VanDerWaalsContact C-N 3.32Å; I568-H570 PolarHBondContact O-N 2.85Å; H570-A572 VanDerWaalsContact CE1-CB 3.41Å; H570-A572 WeakPolarHBondContact CE1-CB 3.25Å; H570-A572 PolarHBondContact CE1-O 3.41Å; H570-A572 PolarHBondContact ND1-N 3.24Å; H570-A572 PolarHBondContact ND1-O 3.43Å; H570-R574 PolarHBondContact O-NH1 3.12Å; H570-R574 PolarHBondContact O-NH2 2.68Å
571	S	77.8	Confident	86.3	Confident	92 Å²	92	54.8 Å²	54.8	64%	0.643	28%	0.275	S	S	*	.			trans	-93.2	-26.5	177.6	62.7	0	0	0	0	113.2	A569	A569-S571 PolarHBondContact O-N 2.94Å
572	A	80	Confident	86	Confident	54 Å²	54	54.9 Å²	54.9	45%	0.446	28%	0.275	S	S	.	.	S	Bend	trans	-71.6	166.6	-174.9	0	0	0	0	0	112.6	H570 R574	H570-A572 VanDerWaalsContact CE1-CB 3.41Å; H570-A572 WeakPolarHBondContact CE1-CB 3.25Å; H570-A572 PolarHBondContact CE1-O 3.41Å; H570-A572 PolarHBondContact ND1-N 3.24Å; H570-A572 PolarHBondContact ND1-O 3.43Å; A572-R574 PolarHBondContact O-N 2.92Å
573	K	78.7	Confident	85.6	Confident	209 Å²	209	58.7 Å²	58.7	91%	0.909	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-52.6	119.3	-174.9	-170.4	176.2	-177.8	178.7	0	110.6
574	R	80.3	Confident	85.4	Confident	47 Å²	47	61.5 Å²	61.5	18%	0.177	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-86.6	155	177.8	-71.4	-178.3	172.5	81.4	-4	110.8	M567 I568 H570 A572 A578 D579	M567-R574 PolarHBondContact O-NH2 3.33Å; M567-R574 VanDerWaalsContact O-NH2 3.07Å; I568-R574 PolarHBondContact O-NH2 3.32Å; H570-R574 PolarHBondContact O-NH1 3.12Å; H570-R574 PolarHBondContact O-NH2 2.68Å; A572-R574 PolarHBondContact O-N 2.92Å; R574-A578 HydrophobicContact CB-CB 4.12Å; R574-D579 HydrophobicContact CB-CB 4.41Å
575	S	83.8	Confident	85.3	Confident	57 Å²	57	61.1 Å²	61.1	40%	0.399	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-57.3	145.7	162.8	59.4	0	0	0	0	109.8	K551 E577 A578 D579	K551-S575 PolarHBondContact NZ-OG 3.07Å; S575-E577 PolarHBondContact O-N 3.38Å; S575-E577 VanDerWaalsContact O-N 3.13Å; S575-A578 WeakPolarHBondContact O-CA 3.47Å; S575-A578 WeakPolarHBondContact O-CB 3.47Å; S575-A578 PolarHBondContact O-N 2.86Å; S575-A578 VanDerWaalsContact OG-CB 3.31Å; S575-A578 WeakPolarHBondContact OG-CB 3.32Å; S575-D579 PolarHBondContact O-N 3.31Å
576	Y	85	Confident	85.2	Confident	166 Å²	166	65.9 Å²	65.9	65%	0.651	32%	0.322	S	S	*	.	H	α-helix	trans	-48.9	-42.4	-179.1	173.3	-110.4	0	0	0	113.7	A578 D579 R580	Y576-A578 PolarHBondContact O-N 3.18Å; Y576-D579 PolarHBondContact O-N 3.46Å; Y576-R580 PolarHBondContact O-N 3.25Å; Y576-R580 PolarHBondContact OH-NH2 2.83Å
577	E	84.1	Confident	85.2	Confident	100 Å²	100	67.1 Å²	67.1	47%	0.467	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-38.7	177.3	-63.3	-173.6	147	0	0	113.2	S575 M581	S575-E577 PolarHBondContact O-N 3.38Å; S575-E577 VanDerWaalsContact O-N 3.13Å; E577-M581 PolarHBondContact O-N 2.66Å
578	A	84.6	Confident	85.1	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-71.8	-33.8	178.2	0	0	0	0	0	111.8	F546 M567 R574 S575 Y576 M581 M582	F546-A578 HydrophobicContact CE2-CB 4.12Å; F546-A578 HydrophobicContact CZ-CB 4.1Å; M567-A578 HydrophobicContact CE-CB 3.88Å; R574-A578 HydrophobicContact CB-CB 4.12Å; S575-A578 WeakPolarHBondContact O-CA 3.47Å; S575-A578 WeakPolarHBondContact O-CB 3.47Å; S575-A578 PolarHBondContact O-N 2.86Å; S575-A578 VanDerWaalsContact OG-CB 3.31Å; S575-A578 WeakPolarHBondContact OG-CB 3.32Å; Y576-A578 PolarHBondContact O-N 3.18Å; A578-M581 PolarHBondContact O-N 3.43Å; A578-M582 WeakPolarHBondContact O-CB 3.37Å; A578-M582 VanDerWaalsContact O-CG 3.29Å; A578-M582 WeakPolarHBondContact O-CG 3.19Å; A578-M582 PolarHBondContact O-N 3.08Å
579	D	86.4	Confident	85.1	Confident	74 Å²	74	69.8 Å²	69.8	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-67.5	-43.5	174.5	-164.5	60	0	0	0	111.6	R574 S575 Y576 M581 M582 N583	R574-D579 HydrophobicContact CB-CB 4.41Å; S575-D579 PolarHBondContact O-N 3.31Å; Y576-D579 PolarHBondContact O-N 3.46Å; D579-M581 VanDerWaalsContact C-N 3.31Å; D579-M581 PolarHBondContact O-N 3.34Å; D579-M582 PolarHBondContact O-N 3.43Å; D579-N583 PolarHBondContact O-N 3.04Å; D579-N583 PolarHBondContact O-ND2 3.49Å
580	R	86.5	Confident	85.4	Confident	148 Å²	148	69.8 Å²	69.8	56%	0.558	34%	0.342	S	S	*	.	H	α-helix	trans	-56.9	-45.4	172.1	-172.1	-167.5	-65.5	-165.1	-4.2	111.8	Y576 N583 W584	Y576-R580 PolarHBondContact O-N 3.25Å; Y576-R580 PolarHBondContact OH-NH2 2.83Å; R580-N583 PolarHBondContact O-N 3.12Å; R580-W584 PolarHBondContact O-N 3.35Å; R580-W584 VanDerWaalsContact O-N 3.09Å
581	M	86.7	Confident	85.7	Confident	11 Å²	11	65.6 Å²	65.6	5%	0.054	32%	0.323	C	S	.	.	H	α-helix	trans	-62.6	-43.6	177.6	-172.2	65.2	81.4	0	0	111.9	L544 F546 D552 P554 E577 A578 D579 N583 W584 I585	L544-M581 HydrophobicContact CD1-CE 4.26Å; L544-M581 HydrophobicContact CD2-CE 3.72Å; L544-M581 HydrophobicContact CD2-SD 3.67Å; L544-M581 HydrophobicContact CG-CE 4.32Å; F546-M581 HydrophobicContact CD1-CG 4.2Å; F546-M581 HydrophobicContact CD2-CB 4.28Å; F546-M581 HydrophobicContact CD2-CG 3.72Å; F546-M581 HydrophobicContact CE1-CG 4.2Å; F546-M581 HydrophobicContact CE2-CB 3.8Å; F546-M581 HydrophobicContact CE2-CG 3.72Å; F546-M581 HydrophobicContact CG-CG 3.97Å; F546-M581 HydrophobicContact CZ-CB 3.98Å; F546-M581 HydrophobicContact CZ-CG 3.96Å; D552-M581 WeakPolarHBondContact O-CE 3.21Å; P554-M581 HydrophobicContact CB-SD 4.38Å; P554-M581 HydrophobicContact CG-CE 4.31Å; P554-M581 HydrophobicContact CG-SD 4.2Å; E577-M581 PolarHBondContact O-N 2.66Å; A578-M581 PolarHBondContact O-N 3.43Å; D579-M581 VanDerWaalsContact C-N 3.31Å; D579-M581 PolarHBondContact O-N 3.34Å; M581-N583 VanDerWaalsContact C-N 3.33Å; M581-N583 PolarHBondContact O-N 3.5Å; M581-W584 WeakPolarHBondContact O-CB 3.39Å; M581-W584 PolarHBondContact O-N 3.44Å; M581-W584 HydrophobicContact SD-CE3 3.78Å; M581-W584 HydrophobicContact SD-CZ3 4.31Å; M581-I585 HydrophobicContact CG-CD1 4.07Å; M581-I585 WeakPolarHBondContact O-CG1 3.37Å; M581-I585 PolarHBondContact O-N 3.34Å
582	M	87.3	Confident	86.5	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-62.2	-40	177.4	-78.1	-59.9	-55.1	0	0	112.4	F546 I568 A578 D579 W584 I585 R586	F546-M582 HydrophobicContact CE1-CG 4.31Å; F546-M582 HydrophobicContact CE1-SD 3.83Å; F546-M582 HydrophobicContact CZ-CG 4.31Å; F546-M582 HydrophobicContact CZ-SD 4.42Å; I568-M582 HydrophobicContact CD1-CE 4.45Å; I568-M582 HydrophobicContact CD1-SD 3.62Å; I568-M582 HydrophobicContact CG2-CE 4.21Å; A578-M582 WeakPolarHBondContact O-CB 3.37Å; A578-M582 VanDerWaalsContact O-CG 3.29Å; A578-M582 WeakPolarHBondContact O-CG 3.19Å; A578-M582 PolarHBondContact O-N 3.08Å; D579-M582 PolarHBondContact O-N 3.43Å; M582-W584 VanDerWaalsContact C-N 3.32Å; M582-W584 PolarHBondContact O-N 3.38Å; M582-I585 PolarHBondContact O-N 2.94Å; M582-I585 HydrophobicContact SD-CD1 4.45Å; M582-R586 WeakPolarHBondContact O-CB 3.5Å; M582-R586 WeakPolarHBondContact O-CG 3.4Å; M582-R586 PolarHBondContact O-N 2.96Å
583	N	87.5	Confident	87.3	Confident	80 Å²	80	58.6 Å²	58.6	43%	0.428	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-38.4	175.8	-68.2	-26.9	0	0	0	111.5	D579 R580 M581 R586 S587	D579-N583 PolarHBondContact O-N 3.04Å; D579-N583 PolarHBondContact O-ND2 3.49Å; R580-N583 PolarHBondContact O-N 3.12Å; M581-N583 VanDerWaalsContact C-N 3.33Å; M581-N583 PolarHBondContact O-N 3.5Å; N583-R586 PolarHBondContact O-N 3.2Å; N583-S587 WeakPolarHBondContact O-CB 3.33Å; N583-S587 PolarHBondContact O-N 3.22Å; N583-S587 PolarHBondContact O-OG 3.09Å
584	W	89.2	Confident	88.1	Confident	60 Å²	60	48.7 Å²	48.7	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-48.9	172.8	176.3	73.9	0	0	0	112.1	L544 P554 C561 R580 M581 M582 R586 S587 Q588 W590	L544-W584 HydrophobicContact CD2-CE3 4.43Å; L544-W584 HydrophobicContact CD2-CH2 4.26Å; L544-W584 HydrophobicContact CD2-CZ3 3.72Å; P554-W584 HydrophobicContact CB-CD2 4.06Å; P554-W584 HydrophobicContact CB-CE3 4.29Å; P554-W584 HydrophobicContact CB-CG 4.49Å; P554-W584 HydrophobicContact CB-CZ2 4.4Å; C561-W584 HydrophobicContact CB-CZ3 4.34Å; R580-W584 PolarHBondContact O-N 3.35Å; R580-W584 VanDerWaalsContact O-N 3.09Å; M581-W584 WeakPolarHBondContact O-CB 3.39Å; M581-W584 PolarHBondContact O-N 3.44Å; M581-W584 HydrophobicContact SD-CE3 3.78Å; M581-W584 HydrophobicContact SD-CZ3 4.31Å; M582-W584 VanDerWaalsContact C-N 3.32Å; M582-W584 PolarHBondContact O-N 3.38Å; W584-R586 VanDerWaalsContact C-N 3.27Å; W584-R586 PolarHBondContact O-N 3.36Å; W584-S587 WeakPolarHBondContact CA-OG 3.5Å; W584-S587 PolarHBondContact O-N 3.46Å; W584-S587 VanDerWaalsContact O-N 3.12Å; W584-S587 PolarHBondContact O-OG 2.95Å; W584-Q588 PolarHBondContact O-N 3.46Å; W584-W590 AromaticContact CH2-CH2 3.83Å; W584-W590 HydrophobicContact CH2-CH2 3.83Å; W584-W590 HydrophobicContact CH2-CZ2 4.17Å; W584-W590 HydrophobicContact CZ3-CH2 4.07Å; W584-W590 HydrophobicContact CZ3-CZ2 4.09Å
585	I	89.2	Confident	88.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-40.3	178.8	-66.8	169	0	0	0	111.5	F516 F546 I568 M581 M582 W590 V613	F516-I585 HydrophobicContact CE2-CD1 4.19Å; F516-I585 HydrophobicContact CE2-CG2 4.24Å; F516-I585 HydrophobicContact CZ-CG2 4.31Å; F546-I585 HydrophobicContact CD1-CD1 3.91Å; F546-I585 HydrophobicContact CE1-CD1 4.15Å; I568-I585 HydrophobicContact CD1-CD1 4.06Å; M581-I585 HydrophobicContact CG-CD1 4.07Å; M581-I585 WeakPolarHBondContact O-CG1 3.37Å; M581-I585 PolarHBondContact O-N 3.34Å; M582-I585 PolarHBondContact O-N 2.94Å; M582-I585 HydrophobicContact SD-CD1 4.45Å; I585-W590 HydrophobicContact CG2-CZ2 4.45Å; I585-W590 PolarHBondContact O-NE1 3Å; I585-V613 HydrophobicContact CG2-CG2 4.09Å
586	R	88.1	Confident	89.2	Confident	100 Å²	100	44.6 Å²	44.6	38%	0.377	21%	0.205	S	C	.	.	H	α-helix	trans	-71.8	-30.7	178.4	-73	175.6	-177.6	168.7	-0.5	113.6	M582 N583 W584 Q588	M582-R586 WeakPolarHBondContact O-CB 3.5Å; M582-R586 WeakPolarHBondContact O-CG 3.4Å; M582-R586 PolarHBondContact O-N 2.96Å; N583-R586 PolarHBondContact O-N 3.2Å; W584-R586 VanDerWaalsContact C-N 3.27Å; W584-R586 PolarHBondContact O-N 3.36Å; R586-Q588 VanDerWaalsContact C-N 3.31Å
587	S	86.3	Confident	89.3	Confident	90 Å²	90	37.3 Å²	37.3	63%	0.629	18%	0.177	S	C	*	.	H	α-helix	trans	-76.8	-18.6	-179.5	67.6	0	0	0	0	113.8	N583 W584	N583-S587 WeakPolarHBondContact O-CB 3.33Å; N583-S587 PolarHBondContact O-N 3.22Å; N583-S587 PolarHBondContact O-OG 3.09Å; W584-S587 WeakPolarHBondContact CA-OG 3.5Å; W584-S587 PolarHBondContact O-N 3.46Å; W584-S587 VanDerWaalsContact O-N 3.12Å; W584-S587 PolarHBondContact O-OG 2.95Å
588	Q	86.3	Confident	89.5	Confident	60 Å²	60	32.5 Å²	32.5	28%	0.28	16%	0.155	S	C	.	.	S	Bend	trans	-98.9	129.5	-174.6	-179.7	65.9	35.2	0	0	110.5	W584 R586 W590	W584-Q588 PolarHBondContact O-N 3.46Å; R586-Q588 VanDerWaalsContact C-N 3.31Å; Q588-W590 HydrophobicContact CG-CZ2 4.41Å; Q588-W590 PolarHBondContact O-NE1 3.3Å
589	E	89.1	Confident	89.4	Confident	25 Å²	25	33.3 Å²	33.3	12%	0.117	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-76.1	128.2	165.7	-67.5	-173.9	138.1	0	0	109.7	G255 G256 N457 H616	G255-E589 PolarHBondContact N-OE1 2.99Å; G256-E589 VanDerWaalsContact CA-OE1 3.31Å; G256-E589 WeakPolarHBondContact CA-OE1 3.32Å; G256-E589 PolarHBondContact N-OE1 2.74Å; N457-E589 PolarHBondContact OD1-O 3.18Å; E589-H616 IonicContact OE2-NE2 2.65Å
590	W	91.9	Very high	89.2	Confident	2 Å²	2	30 Å²	30	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.5	178.9	-62.3	87.8	0	0	0	110.1	P514 T515 F516 C561 W584 I585 Q588 V613 Q614 A615 H616	P514-W590 HydrophobicContact CB-CE3 3.88Å; P514-W590 HydrophobicContact CB-CZ3 4.17Å; T515-W590 VanDerWaalsContact C-CE3 3.43Å; T515-W590 WeakPolarHBondContact O-CZ3 3.47Å; F516-W590 HydrophobicContact CB-CB 4.48Å; F516-W590 HydrophobicContact CB-CD2 3.65Å; F516-W590 HydrophobicContact CB-CE3 3.65Å; F516-W590 HydrophobicContact CB-CG 4.01Å; F516-W590 HydrophobicContact CB-CZ3 4.15Å; F516-W590 HydrophobicContact CD2-CH2 4.16Å; F516-W590 HydrophobicContact CD2-CZ2 4.01Å; F516-W590 HydrophobicContact CD2-CZ3 4.45Å; F516-W590 HydrophobicContact CG-CD2 4.34Å; C561-W590 HydrophobicContact CB-CH2 3.49Å; C561-W590 VanDerWaalsContact CB-CH2 3.49Å; C561-W590 HydrophobicContact CB-CZ2 4.28Å; C561-W590 HydrophobicContact CB-CZ3 4.12Å; W584-W590 AromaticContact CH2-CH2 3.83Å; W584-W590 HydrophobicContact CH2-CH2 3.83Å; W584-W590 HydrophobicContact CH2-CZ2 4.17Å; W584-W590 HydrophobicContact CZ3-CH2 4.07Å; W584-W590 HydrophobicContact CZ3-CZ2 4.09Å; I585-W590 HydrophobicContact CG2-CZ2 4.45Å; I585-W590 PolarHBondContact O-NE1 3Å; Q588-W590 HydrophobicContact CG-CZ2 4.41Å; Q588-W590 PolarHBondContact O-NE1 3.3Å; W590-V613 HydrophobicContact CG-CG1 4.36Å; W590-Q614 PolarHBondContact N-O 2.89Å; W590-A615 HydrophobicContact CB-CB 4.1Å; W590-A615 CarbonylContact O-C 3.58Å; W590-A615 VanDerWaalsContact O-CA 3.22Å; W590-A615 WeakPolarHBondContact O-CA 3.43Å; W590-H616 PolarHBondContact O-CD2 3.06Å; W590-H616 PolarHBondContact O-N 2.88Å
591	G	91.9	Very high	89.1	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-35.6	177	0	0	0	0	0	112.4	Y449 P514 C617	Y449-G591 WeakPolarHBondContact CD1-O 3.49Å; Y449-G591 WeakPolarHBondContact CE1-O 3.41Å; P514-G591 PolarHBondContact O-N 3.5Å; G591-C617 WeakPolarHBondContact O-CB 3.47Å; G591-C617 PolarHBondContact O-N 2.91Å
592	L	94.3	Very high	88.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	130.5	178.4	179.9	64.7	0	0	0	110.8	M481 A507 A508 I511 P514 T515 F516 I594 C617 L619	M481-L592 HydrophobicContact CE-CD1 4.06Å; A507-L592 HydrophobicContact CB-CD2 4.2Å; A508-L592 HydrophobicContact CB-CD2 4.14Å; I511-L592 HydrophobicContact CD1-CB 4.08Å; I511-L592 HydrophobicContact CD1-CD1 3.82Å; I511-L592 HydrophobicContact CD1-CD2 4.13Å; I511-L592 HydrophobicContact CD1-CG 4.21Å; P514-L592 PolarHBondContact O-N 3.2Å; T515-L592 CarbonylContact C-O 3.6Å; T515-L592 VanDerWaalsContact CA-O 3.29Å; T515-L592 WeakPolarHBondContact CA-O 3.32Å; T515-L592 HydrophobicContact CG2-CB 4.22Å; T515-L592 HydrophobicContact CG2-CD2 4.05Å; T515-L592 HydrophobicContact CG2-CG 4.24Å; F516-L592 PolarHBondContact N-O 3.2Å; L592-I594 HydrophobicContact CD2-CD1 3.9Å; L592-I594 HydrophobicContact CD2-CG1 3.77Å; L592-I594 HydrophobicContact CG-CG1 3.92Å; L592-C617 CarbonylContact C-O 3.57Å; L592-C617 WeakPolarHBondContact CA-O 3.4Å; L592-C617 HydrophobicContact CD1-CB 4.2Å; L592-L619 HydrophobicContact CD1-CB 3.91Å
593	M	95.3	Very high	88.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.3	166	-178.8	170.4	62.5	0	0	109.6	F516 L518 L595 L610 V613 A615 C617 K618 L619	F516-M593 HydrophobicContact CD1-CG 4.26Å; F516-M593 HydrophobicContact CD1-SD 4.35Å; F516-M593 CarbonylContact O-C 3.56Å; F516-M593 VanDerWaalsContact O-CA 3.29Å; F516-M593 WeakPolarHBondContact O-CA 3.18Å; L518-M593 HydrophobicContact CD1-CG 4.3Å; L518-M593 HydrophobicContact CD1-SD 3.91Å; M593-L595 HydrophobicContact CE-CD1 4.33Å; M593-L595 HydrophobicContact CE-CD2 4.19Å; M593-L595 HydrophobicContact CE-CG 4.47Å; M593-L595 HydrophobicContact CG-CD2 3.98Å; M593-L595 HydrophobicContact CG-CG 4.31Å; M593-L595 HydrophobicContact SD-CD2 4.01Å; M593-L610 HydrophobicContact CE-CD2 3.44Å; M593-L610 VanDerWaalsContact CE-CD2 3.44Å; M593-L610 HydrophobicContact SD-CD2 4.48Å; M593-V613 HydrophobicContact SD-CB 4.45Å; M593-V613 HydrophobicContact SD-CG1 4.38Å; M593-A615 HydrophobicContact CB-CB 3.64Å; M593-C617 PolarHBondContact N-O 2.64Å; M593-K618 HydrophobicContact CE-CB 4.28Å; M593-K618 HydrophobicContact CE-CD 3.74Å; M593-K618 HydrophobicContact CE-CG 3.74Å; M593-L619 PolarHBondContact O-N 3.39Å
594	I	96.6	Very high	88.1	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.8	175.8	-55.7	179.4	0	0	0	108.4	G504 T515 F516 V517 L518 W528 F532 L592 L619 L621	G504-I594 WeakPolarHBondContact O-CD1 3.47Å; T515-I594 HydrophobicContact CG2-CD1 3.92Å; T515-I594 HydrophobicContact CG2-CG1 4.13Å; F516-I594 PolarHBondContact O-N 3.18Å; V517-I594 WeakPolarHBondContact CA-O 3.47Å; V517-I594 HydrophobicContact CG1-CB 4.28Å; V517-I594 HydrophobicContact CG1-CG2 4.42Å; V517-I594 HydrophobicContact CG2-CB 4.19Å; V517-I594 HydrophobicContact CG2-CD1 4.17Å; V517-I594 HydrophobicContact CG2-CG1 4.46Å; L518-I594 PolarHBondContact N-O 2.9Å; W528-I594 HydrophobicContact CH2-CG2 3.75Å; W528-I594 HydrophobicContact CZ2-CG2 4.2Å; W528-I594 HydrophobicContact CZ3-CD1 4.39Å; W528-I594 HydrophobicContact CZ3-CG2 4.35Å; F532-I594 HydrophobicContact CZ-CD1 4.49Å; L592-I594 HydrophobicContact CD2-CD1 3.9Å; L592-I594 HydrophobicContact CD2-CG1 3.77Å; L592-I594 HydrophobicContact CG-CG1 3.92Å; I594-L619 WeakPolarHBondContact CA-O 3.29Å; I594-L621 HydrophobicContact CG2-CD1 3.8Å; I594-L621 HydrophobicContact CG2-CG 4.4Å
595	L	94.5	Very high	87.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112	177.2	-58	170.7	0	0	0	107.8	L518 Y565 M593 V598 I601 L610 L619 L621 I639	L518-L595 HydrophobicContact CB-CD2 4.1Å; L518-L595 HydrophobicContact CD1-CD2 3.44Å; L518-L595 VanDerWaalsContact CD1-CD2 3.44Å; L518-L595 HydrophobicContact CG-CD2 4.38Å; Y565-L595 HydrophobicContact CE1-CD2 3.98Å; Y565-L595 WeakPolarHBondContact OH-CA 3.09Å; Y565-L595 WeakPolarHBondContact OH-CB 3.44Å; M593-L595 HydrophobicContact CE-CD1 4.33Å; M593-L595 HydrophobicContact CE-CD2 4.19Å; M593-L595 HydrophobicContact CE-CG 4.47Å; M593-L595 HydrophobicContact CG-CD2 3.98Å; M593-L595 HydrophobicContact CG-CG 4.31Å; M593-L595 HydrophobicContact SD-CD2 4.01Å; L595-V598 HydrophobicContact CB-CG2 3.89Å; L595-V598 WeakPolarHBondContact O-CG2 3.32Å; L595-I601 HydrophobicContact CD1-CD1 4.47Å; L595-I601 HydrophobicContact CD2-CD1 4.14Å; L595-L610 HydrophobicContact CD1-CD2 3.9Å; L595-L610 HydrophobicContact CD2-CD2 4.35Å; L595-L619 PolarHBondContact N-O 3.18Å; L595-L621 PolarHBondContact O-N 3.04Å; L595-I639 HydrophobicContact CD1-CD1 3.45Å; L595-I639 VanDerWaalsContact CD1-CD1 3.45Å; L595-I639 HydrophobicContact CD1-CG1 3.72Å
596	D	92.4	Very high	87.3	Confident	18 Å²	18	31.3 Å²	31.3	10%	0.096	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.2	173.5	-163.2	13.5	0	0	0	110.5	L518 W528 Y565 V598	L518-D596 WeakPolarHBondContact O-CB 3.33Å; L518-D596 PolarHBondContact O-N 2.81Å; W528-D596 HydrophobicContact CZ2-CB 4.24Å; W528-D596 PolarHBondContact NE1-OD2 2.69Å; Y565-D596 VanDerWaalsContact CE2-O 3.32Å; Y565-D596 WeakPolarHBondContact CE2-O 3.5Å; Y565-D596 PolarHBondContact OH-N 3.48Å; Y565-D596 PolarHBondContact OH-O 3.16Å; D596-V598 VanDerWaalsContact C-N 3.28Å; D596-V598 PolarHBondContact O-N 2.85Å
597	E	86.7	Confident	87.2	Confident	13 Å²	13	28.4 Å²	28.4	6%	0.061	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	51	-174.8	-60.9	-63.3	-178.2	0	0	112.7	T520 H599 T600 L621 Q793 R797	T520-E597 HydrophobicContact CG2-CB 3.89Å; T520-E597 HydrophobicContact CG2-CG 4.48Å; E597-H599 VanDerWaalsContact CB-CE1 3.49Å; E597-H599 WeakPolarHBondContact CB-CE1 3.27Å; E597-H599 PolarHBondContact O-N 3.02Å; E597-H599 PolarHBondContact O-ND1 3.07Å; E597-H599 IonicContact OE2-CE1 3.33Å; E597-H599 PolarHBondContact OE2-CE1 2.86Å; E597-H599 IonicContact OE2-ND1 2.74Å; E597-H599 PolarHBondContact OE2-ND1 3.31Å; E597-T600 WeakPolarHBondContact O-CG2 3.27Å; E597-T600 PolarHBondContact O-N 3.39Å; E597-T600 PolarHBondContact O-OG1 3.07Å; E597-L621 PolarHBondContact N-O 3.39Å; E597-Q793 PolarHBondContact OE2-NE2 3.27Å; E597-R797 IonicContact OE1-NH2 3.9Å; E597-R797 PolarHBondContact OE1-NH2 3.24Å
598	V	88.1	Confident	87.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-46.9	-30.8	-174.2	174.4	0	0	0	0	115.5	V491 L595 D596 T600 I601 L621 L635 I639	V491-V598 HydrophobicContact CG2-CG1 4.36Å; L595-V598 HydrophobicContact CB-CG2 3.89Å; L595-V598 WeakPolarHBondContact O-CG2 3.32Å; D596-V598 VanDerWaalsContact C-N 3.28Å; D596-V598 PolarHBondContact O-N 2.85Å; V598-T600 PolarHBondContact O-N 2.98Å; V598-I601 HydrophobicContact CG1-CG1 4.49Å; V598-I601 WeakPolarHBondContact O-CB 3.49Å; V598-I601 WeakPolarHBondContact O-CG1 3.48Å; V598-I601 PolarHBondContact O-N 3Å; V598-L621 WeakPolarHBondContact CG2-O 3.4Å; V598-L621 PolarHBondContact N-O 3.17Å; V598-L635 HydrophobicContact CG1-CD1 3.34Å; V598-L635 HydrophobicContact CG1-CD2 3.62Å; V598-L635 HydrophobicContact CG1-CG 3.82Å; V598-I639 HydrophobicContact CG1-CD1 3.26Å
599	H	83.2	Confident	87.1	Confident	18 Å²	18	26.9 Å²	26.9	8%	0.083	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-58.8	-17.5	179.8	61.2	-107.8	0	0	0	114.6	E597 P602 T622 R627 R789	E597-H599 VanDerWaalsContact CB-CE1 3.49Å; E597-H599 WeakPolarHBondContact CB-CE1 3.27Å; E597-H599 PolarHBondContact O-N 3.02Å; E597-H599 PolarHBondContact O-ND1 3.07Å; E597-H599 IonicContact OE2-CE1 3.33Å; E597-H599 PolarHBondContact OE2-CE1 2.86Å; E597-H599 IonicContact OE2-ND1 2.74Å; E597-H599 PolarHBondContact OE2-ND1 3.31Å; H599-P602 WeakPolarHBondContact O-CD 3.46Å; H599-T622 PolarHBondContact ND1-OG1 3.26Å; H599-R627 PolarHBondContact O-NH1 2.98Å; H599-R789 PolarHBondContact CD2-NE 3.02Å; H599-R789 VanDerWaalsContact CD2-NE 3.26Å; H599-R789 PolarHBondContact CD2-NH1 2.77Å; H599-R789 PolarHBondContact CD2-NH2 3.48Å; H599-R789 PolarHBondContact CE1-NE 2.96Å; H599-R789 PolarHBondContact ND1-NH2 2.91Å; H599-R789 PolarHBondContact NE2-NE 3.44Å
600	T	81.6	Confident	87	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.025	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-73.6	-29.1	174.4	56.7	0	0	0	0	112.1	T520 E597 V598 P602 A603 F606 R627 P888	T520-T600 HydrophobicContact CG2-CG2 4.23Å; E597-T600 WeakPolarHBondContact O-CG2 3.27Å; E597-T600 PolarHBondContact O-N 3.39Å; E597-T600 PolarHBondContact O-OG1 3.07Å; V598-T600 PolarHBondContact O-N 2.98Å; T600-P602 VanDerWaalsContact C-CD 3.47Å; T600-A603 WeakPolarHBondContact O-CB 3.44Å; T600-A603 PolarHBondContact O-N 3.1Å; T600-F606 WeakPolarHBondContact O-CD2 3.01Å; T600-R627 PolarHBondContact O-NH1 2.95Å; T600-P888 HydrophobicContact CG2-CB 4.41Å; T600-P888 HydrophobicContact CG2-CG 3.89Å
601	I	84.2	Confident	86.7	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-40.4	-172.5	-62.3	-69.1	0	0	0	115.3	Y565 L595 V598 A603 R607 L610 L635 L638	Y565-I601 HydrophobicContact CD1-CD1 3.93Å; Y565-I601 HydrophobicContact CE1-CD1 3.25Å; Y565-I601 HydrophobicContact CE1-CG1 4.48Å; L595-I601 HydrophobicContact CD1-CD1 4.47Å; L595-I601 HydrophobicContact CD2-CD1 4.14Å; V598-I601 HydrophobicContact CG1-CG1 4.49Å; V598-I601 WeakPolarHBondContact O-CB 3.49Å; V598-I601 WeakPolarHBondContact O-CG1 3.48Å; V598-I601 PolarHBondContact O-N 3Å; I601-A603 PolarHBondContact O-N 3.22Å; I601-R607 WeakPolarHBondContact O-CG 3.37Å; I601-R607 PolarHBondContact O-N 3Å; I601-L610 HydrophobicContact CG2-CD1 3.79Å; I601-L610 HydrophobicContact CG2-CG 4.36Å; I601-L635 HydrophobicContact CB-CD1 4.4Å; I601-L638 HydrophobicContact CG2-CD1 4.37Å
602	P	80.4	Confident	86.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.013	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-9.6	-179.2	-22.2	29.4	0	0	0	115.1	H599 T600 R607 R627 K631 L635	H599-P602 WeakPolarHBondContact O-CD 3.46Å; T600-P602 VanDerWaalsContact C-CD 3.47Å; P602-R607 PolarHBondContact O-NE 3.46Å; P602-R607 PolarHBondContact O-NH2 2.96Å; P602-R607 VanDerWaalsContact O-NH2 3.12Å; P602-R627 VanDerWaalsContact CD-NH1 3.32Å; P602-K631 HydrophobicContact CB-CB 3.86Å; P602-K631 WeakPolarHBondContact CG-O 3.32Å; P602-L635 HydrophobicContact CG-CD1 4.14Å
603	A	81.5	Confident	86.2	Confident	24 Å²	24	30 Å²	30	20%	0.198	14%	0.14	C	C	.	.	S	Bend	trans	-62.4	136	170.4	0	0	0	0	0	111.4	T600 I601 M605 F606 R607	T600-A603 WeakPolarHBondContact O-CB 3.44Å; T600-A603 PolarHBondContact O-N 3.1Å; I601-A603 PolarHBondContact O-N 3.22Å; A603-M605 PolarHBondContact O-N 3.19Å; A603-F606 HydrophobicContact CB-CD2 4.17Å; A603-F606 PolarHBondContact O-N 3.26Å; A603-R607 PolarHBondContact O-N 2.98Å
604	K	79.9	Confident	85.9	Confident	192 Å²	192	31 Å²	31	84%	0.835	15%	0.145	S	C	*	.	H	α-helix	trans	-50.2	-39.1	-175.4	-68.8	-177.9	179	177.7	0	113.3
605	M	79.6	Confident	85.6	Confident	88 Å²	88	31.1 Å²	31.1	43%	0.433	15%	0.147	S	C	.	.	H	α-helix	trans	-64.4	-45.2	177.9	-174.3	-176.8	-58.8	0	0	111.8	A569 A603	A569-M605 HydrophobicContact CB-CG 3.56Å; A569-M605 VanDerWaalsContact CB-O 3.26Å; A569-M605 WeakPolarHBondContact CB-O 3.45Å; A569-M605 HydrophobicContact CB-SD 4.37Å; A603-M605 PolarHBondContact O-N 3.19Å
606	F	82.2	Confident	85.4	Confident	22 Å²	22	32.3 Å²	32.3	10%	0.096	15%	0.152	C	C	.	.	H	α-helix	trans	-81.7	-26.3	-174.6	-61	-24.9	0	0	0	113.7	Y565 A569 T600 A603 R608 V609 P888	Y565-F606 VanDerWaalsContact CB-CE1 3.44Å; Y565-F606 HydrophobicContact CG-CD1 4.38Å; Y565-F606 HydrophobicContact CG-CG 4.44Å; A569-F606 HydrophobicContact CB-CD1 4.27Å; T600-F606 WeakPolarHBondContact O-CD2 3.01Å; A603-F606 HydrophobicContact CB-CD2 4.17Å; A603-F606 PolarHBondContact O-N 3.26Å; F606-R608 PolarHBondContact O-N 3.08Å; F606-V609 VanDerWaalsContact O-CB 3.24Å; F606-V609 WeakPolarHBondContact O-CB 3.35Å; F606-V609 WeakPolarHBondContact O-CG2 3.4Å; F606-V609 PolarHBondContact O-N 3.42Å; F606-P888 HydrophobicContact CE2-CB 3.84Å; F606-P888 HydrophobicContact CZ-CB 4.29Å
607	R	84.2	Confident	85.3	Confident	38 Å²	38	31.4 Å²	31.4	14%	0.143	15%	0.147	C	C	.	.	H	α-helix	trans	-52.5	-40.8	170.8	-70.2	-169.6	-165.8	-152.9	-3.3	112.3	E432 I601 P602 A603 V609 L610 D634 L638	E432-R607 IonicContact OE1-NH1 3.34Å; E432-R607 PolarHBondContact OE1-NH1 3.18Å; I601-R607 WeakPolarHBondContact O-CG 3.37Å; I601-R607 PolarHBondContact O-N 3Å; P602-R607 PolarHBondContact O-NE 3.46Å; P602-R607 PolarHBondContact O-NH2 2.96Å; P602-R607 VanDerWaalsContact O-NH2 3.12Å; A603-R607 PolarHBondContact O-N 2.98Å; R607-V609 PolarHBondContact O-N 2.97Å; R607-V609 VanDerWaalsContact O-N 3.08Å; R607-L610 WeakPolarHBondContact O-CB 3.47Å; R607-L610 PolarHBondContact O-N 3.34Å; R607-D634 IonicContact CZ-OD2 3.54Å; R607-D634 VanDerWaalsContact CZ-OD2 3.27Å; R607-D634 IonicContact NH1-OD2 2.89Å; R607-D634 PolarHBondContact NH1-OD2 3.15Å; R607-D634 VanDerWaalsContact NH1-OD2 3.14Å; R607-D634 IonicContact NH2-OD2 2.73Å; R607-D634 PolarHBondContact NH2-OD2 3.33Å; R607-L638 HydrophobicContact CG-CD1 4.16Å
608	R	84.8	Confident	85.7	Confident	119 Å²	119	31.9 Å²	31.9	45%	0.449	15%	0.149	S	C	.	.	H	α-helix	trans	-56.3	-28.8	178.9	-64.5	178.1	65.2	-179.4	3	113.2	F606 L610 T611 L612	F606-R608 PolarHBondContact O-N 3.08Å; R608-L610 PolarHBondContact O-N 3.11Å; R608-T611 PolarHBondContact O-N 2.72Å; R608-L612 VanDerWaalsContact O-CG 3.28Å; R608-L612 WeakPolarHBondContact O-CG 3.26Å; R608-L612 PolarHBondContact O-N 3.25Å
609	V	87.1	Confident	86	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-36.7	179.6	179.5	0	0	0	0	111	L518 I568 A569 F606 R607 T611 L612 V613	L518-V609 HydrophobicContact CD1-CG1 3.37Å; L518-V609 HydrophobicContact CD2-CG1 4.19Å; L518-V609 HydrophobicContact CG-CG1 4.43Å; I568-V609 HydrophobicContact CB-CG1 4.37Å; I568-V609 HydrophobicContact CB-CG2 4.21Å; I568-V609 HydrophobicContact CG2-CB 4.37Å; I568-V609 HydrophobicContact CG2-CG1 3.85Å; I568-V609 HydrophobicContact CG2-CG2 4.06Å; A569-V609 HydrophobicContact CB-CG2 3.88Å; F606-V609 VanDerWaalsContact O-CB 3.24Å; F606-V609 WeakPolarHBondContact O-CB 3.35Å; F606-V609 WeakPolarHBondContact O-CG2 3.4Å; F606-V609 PolarHBondContact O-N 3.42Å; R607-V609 PolarHBondContact O-N 2.97Å; R607-V609 VanDerWaalsContact O-N 3.08Å; V609-T611 VanDerWaalsContact C-N 3.29Å; V609-T611 PolarHBondContact O-N 3.1Å; V609-L612 PolarHBondContact O-N 3.42Å; V609-V613 PolarHBondContact O-N 2.73Å; V609-V613 VanDerWaalsContact O-N 3.13Å
610	L	87	Confident	86.5	Confident	11 Å²	11	31 Å²	31	6%	0.058	15%	0.145	C	C	.	.	H	α-helix	trans	-70.5	-25.1	180	-58	179.5	0	0	0	113.3	M593 L595 I601 R607 R608 L638	M593-L610 HydrophobicContact CE-CD2 3.44Å; M593-L610 VanDerWaalsContact CE-CD2 3.44Å; M593-L610 HydrophobicContact SD-CD2 4.48Å; L595-L610 HydrophobicContact CD1-CD2 3.9Å; L595-L610 HydrophobicContact CD2-CD2 4.35Å; I601-L610 HydrophobicContact CG2-CD1 3.79Å; I601-L610 HydrophobicContact CG2-CG 4.36Å; R607-L610 WeakPolarHBondContact O-CB 3.47Å; R607-L610 PolarHBondContact O-N 3.34Å; R608-L610 PolarHBondContact O-N 3.11Å; L610-L638 HydrophobicContact CD1-CB 3.71Å; L610-L638 HydrophobicContact CD1-CD2 4.13Å; L610-L638 HydrophobicContact CD1-CG 4.34Å
611	T	85.6	Confident	87.1	Confident	39 Å²	39	30.9 Å²	30.9	24%	0.239	14%	0.144	C	C	.	.	H	α-helix	trans	-84.9	-37.2	175.6	-44.5	0	0	0	0	111.2	Q428 R608 V609	Q428-T611 PolarHBondContact NE2-O 3.08Å; R608-T611 PolarHBondContact O-N 2.72Å; V609-T611 VanDerWaalsContact C-N 3.29Å; V609-T611 PolarHBondContact O-N 3.1Å
612	L	87.1	Confident	87.4	Confident	40 Å²	40	30.9 Å²	30.9	21%	0.209	14%	0.144	C	C	.	.	H	α-helix	trans	-72.8	-35.3	-177.2	-72.3	176.4	0	0	0	113.6	R608 V609	R608-L612 VanDerWaalsContact O-CG 3.28Å; R608-L612 WeakPolarHBondContact O-CG 3.26Å; R608-L612 PolarHBondContact O-N 3.25Å; V609-L612 PolarHBondContact O-N 3.42Å
613	V	88.5	Confident	87.5	Confident	1 Å²	1	31 Å²	31	1%	0.006	15%	0.145	C	C	.	.	S	Bend	trans	-103.9	116.7	-177	-177.1	0	0	0	0	109.5	F516 I568 I585 W590 M593 V609 A615	F516-V613 HydrophobicContact CD1-CG1 3.86Å; F516-V613 HydrophobicContact CD1-CG2 4.38Å; F516-V613 HydrophobicContact CE1-CG1 4.19Å; F516-V613 HydrophobicContact CE1-CG2 3.87Å; F516-V613 HydrophobicContact CG-CG1 4.41Å; F516-V613 HydrophobicContact CZ-CG2 4.47Å; I568-V613 HydrophobicContact CG2-CG2 4.26Å; I585-V613 HydrophobicContact CG2-CG2 4.09Å; W590-V613 HydrophobicContact CG-CG1 4.36Å; M593-V613 HydrophobicContact SD-CB 4.45Å; M593-V613 HydrophobicContact SD-CG1 4.38Å; V609-V613 PolarHBondContact O-N 2.73Å; V609-V613 VanDerWaalsContact O-N 3.13Å; V613-A615 PolarHBondContact O-N 3.43Å
614	Q	87.9	Confident	87.1	Confident	21 Å²	21	30.3 Å²	30.3	10%	0.098	14%	0.138	C	C	.	.			trans	-80.9	111.7	176.8	-63.4	-177.9	-9.6	0	0	109.8	L253 G256 Y258 Q428 W590	L253-Q614 HydrophobicContact CD2-CB 4.11Å; G256-Q614 PolarHBondContact O-NE2 3.32Å; Y258-Q614 HydrophobicContact CE2-CG 4.36Å; Q428-Q614 VanDerWaalsContact NE2-CG 3.32Å; W590-Q614 PolarHBondContact N-O 2.89Å
615	A	91.1	Very high	86.7	Confident	4 Å²	4	23 Å²	23	3%	0.033	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.8	176.8	0	0	0	0	0	111.5	W590 M593 V613	W590-A615 HydrophobicContact CB-CB 4.1Å; W590-A615 CarbonylContact O-C 3.58Å; W590-A615 VanDerWaalsContact O-CA 3.22Å; W590-A615 WeakPolarHBondContact O-CA 3.43Å; M593-A615 HydrophobicContact CB-CB 3.64Å; V613-A615 PolarHBondContact O-N 3.43Å
616	H	90	Very high	86.1	Confident	24 Å²	24	21.2 Å²	21.2	11%	0.111	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-45.5	177.8	-67.2	-89.9	0	0	0	112.4	L253 Y449 N457 E589 W590	L253-H616 PolarHBondContact O-CE1 3.19Å; L253-H616 PolarHBondContact O-ND1 3.04Å; Y449-H616 HydrophobicContact CD1-CB 3.81Å; Y449-H616 HydrophobicContact CD2-CB 3.38Å; Y449-H616 AromaticContact CD2-CG 3.69Å; Y449-H616 AromaticContact CD2-ND1 3.83Å; Y449-H616 HydrophobicContact CE1-CB 4.04Å; Y449-H616 HydrophobicContact CE2-CB 3.65Å; Y449-H616 AromaticContact CE2-CG 3.54Å; Y449-H616 AromaticContact CE2-ND1 3.72Å; Y449-H616 HydrophobicContact CG-CB 3.47Å; Y449-H616 VanDerWaalsContact CG-CB 3.47Å; Y449-H616 AromaticContact CZ-CG 3.99Å; N457-H616 PolarHBondContact ND2-CD2 2.85Å; N457-H616 PolarHBondContact ND2-NE2 3.3Å; E589-H616 IonicContact OE2-NE2 2.65Å; W590-H616 PolarHBondContact O-CD2 3.06Å; W590-H616 PolarHBondContact O-N 2.88Å
617	C	91.8	Very high	85.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132	178.8	-173.4	0	0	0	0	110.6	Y449 S489 G591 L592 M593	Y449-C617 HydrophobicContact CD1-CB 4.06Å; Y449-C617 HydrophobicContact CG-CB 4.47Å; S489-C617 WeakPolarHBondContact OG-CA 3.12Å; G591-C617 WeakPolarHBondContact O-CB 3.47Å; G591-C617 PolarHBondContact O-N 2.91Å; L592-C617 CarbonylContact C-O 3.57Å; L592-C617 WeakPolarHBondContact CA-O 3.4Å; L592-C617 HydrophobicContact CD1-CB 4.2Å; M593-C617 PolarHBondContact N-O 2.64Å
618	K	93.9	Very high	84.5	Confident	23 Å²	23	24.1 Å²	24.1	10%	0.1	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.5	177.6	-49.9	-177.1	-179.1	171.8	0	109.5	S489 G490 M593 L638 I639	S489-K618 CarbonylContact C-O 3.58Å; S489-K618 WeakPolarHBondContact CA-O 3.35Å; S489-K618 WeakPolarHBondContact CB-O 3.36Å; S489-K618 PolarHBondContact OG-N 3.01Å; G490-K618 PolarHBondContact N-O 3.22Å; M593-K618 HydrophobicContact CE-CB 4.28Å; M593-K618 HydrophobicContact CE-CD 3.74Å; M593-K618 HydrophobicContact CE-CG 3.74Å; K618-L638 PolarHBondContact NZ-O 3.03Å; K618-I639 HydrophobicContact CB-CG2 4.02Å
619	L	95	Very high	83.8	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116	175.6	176	60.6	0	0	0	109.9	M481 I492 A507 L592 M593 I594 L595 L621	M481-L619 HydrophobicContact CE-CB 4.13Å; M481-L619 HydrophobicContact CE-CD1 4.33Å; M481-L619 HydrophobicContact CE-CD2 4.16Å; M481-L619 HydrophobicContact CE-CG 4.44Å; M481-L619 HydrophobicContact SD-CD1 3.86Å; M481-L619 HydrophobicContact SD-CD2 3.98Å; M481-L619 HydrophobicContact SD-CG 4.39Å; I492-L619 HydrophobicContact CD1-CD1 3.79Å; I492-L619 HydrophobicContact CG1-CD1 4Å; A507-L619 HydrophobicContact CB-CD2 3.79Å; L592-L619 HydrophobicContact CD1-CB 3.91Å; M593-L619 PolarHBondContact O-N 3.39Å; I594-L619 WeakPolarHBondContact CA-O 3.29Å; L595-L619 PolarHBondContact N-O 3.18Å; L619-L621 HydrophobicContact CD1-CD2 4.43Å; L619-L621 HydrophobicContact CD2-CD2 4.35Å; L619-L621 HydrophobicContact CG-CD2 4.29Å; L619-L621 HydrophobicContact CG-CG 4.4Å
620	G	94	Very high	82.9	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.7	172	0	0	0	0	0	112.8	G490 V491 I492	G490-G620 PolarHBondContact O-N 3.21Å; V491-G620 CarbonylContact C-O 3.51Å; V491-G620 WeakPolarHBondContact CA-O 3.39Å; I492-G620 PolarHBondContact N-O 3.3Å
621	L	93.5	Very high	82.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.4	171.9	-60.1	174.2	0	0	0	110.5	I492 V503 W528 I594 L595 E597 V598 L619	I492-L621 HydrophobicContact CB-CD2 4.11Å; I492-L621 HydrophobicContact CG2-CD2 4.43Å; V503-L621 HydrophobicContact CG1-CD2 4.44Å; W528-L621 HydrophobicContact CH2-CD1 3.61Å; W528-L621 HydrophobicContact CZ2-CD1 3.94Å; I594-L621 HydrophobicContact CG2-CD1 3.8Å; I594-L621 HydrophobicContact CG2-CG 4.4Å; L595-L621 PolarHBondContact O-N 3.04Å; E597-L621 PolarHBondContact N-O 3.39Å; V598-L621 WeakPolarHBondContact CG2-O 3.4Å; V598-L621 PolarHBondContact N-O 3.17Å; L619-L621 HydrophobicContact CD1-CD2 4.43Å; L619-L621 HydrophobicContact CD2-CD2 4.35Å; L619-L621 HydrophobicContact CG-CD2 4.29Å; L619-L621 HydrophobicContact CG-CG 4.4Å
622	T	89.9	Confident	81.6	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	154.4	176.6	-172	0	0	0	0	111.8	V491 I492 V493 L494 H599 T624 L625	V491-T622 HydrophobicContact CG1-CG2 3.98Å; I492-T622 PolarHBondContact O-N 3.24Å; V493-T622 WeakPolarHBondContact CA-O 3.4Å; V493-T622 HydrophobicContact CB-CG2 4.49Å; V493-T622 HydrophobicContact CG1-CG2 4.39Å; V493-T622 HydrophobicContact CG2-CG2 3.95Å; L494-T622 PolarHBondContact N-O 3.2Å; H599-T622 PolarHBondContact ND1-OG1 3.26Å; T622-T624 PolarHBondContact OG1-N 2.92Å; T622-T624 PolarHBondContact OG1-O 3.42Å; T622-L625 HydrophobicContact CG2-CD2 3.76Å; T622-L625 HydrophobicContact CG2-CG 4.05Å
623	A	82.7	Confident	81	Confident	4 Å²	4	32 Å²	32	3%	0.033	17%	0.165	C	C	.	.	S	Bend	trans	-82.2	-34	172.1	0	0	0	0	0	113.4	L494 C496 Q793	L494-A623 VanDerWaalsContact O-CA 3.29Å; L494-A623 WeakPolarHBondContact O-CA 3.49Å; C496-A623 VanDerWaalsContact SG-CB 3.59Å; A623-Q793 HydrophobicContact CB-CG 4.02Å
624	T	73.3	Confident	80.5	Confident	10 Å²	10	33.7 Å²	33.7	6%	0.061	17%	0.174	C	C	.	.			trans	-141.9	143.4	-170.5	47.8	0	0	0	0	108.3	T622 R789 Q793	T622-T624 PolarHBondContact OG1-N 2.92Å; T622-T624 PolarHBondContact OG1-O 3.42Å; T624-R789 PolarHBondContact O-NH2 3.02Å; T624-R789 VanDerWaalsContact OG1-CG 3.27Å; T624-R789 WeakPolarHBondContact OG1-CG 3.4Å; T624-R789 PolarHBondContact OG1-NE 3.18Å; T624-R789 PolarHBondContact OG1-NH2 3.27Å; T624-Q793 HydrophobicContact CG2-CG 4.32Å; T624-Q793 PolarHBondContact OG1-NE2 3.05Å; T624-Q793 VanDerWaalsContact OG1-NE2 3.1Å
625	L	71.7	Confident	80.3	Confident	38 Å²	38	32.9 Å²	32.9	20%	0.199	17%	0.171	C	C	.	.			trans	-103.9	8.6	174.6	-80.2	177	0	0	0	113.2	V491 V493 T622 I632 L635 K642	V491-L625 HydrophobicContact CG1-CD2 4.27Å; V493-L625 HydrophobicContact CG2-CD1 3.41Å; V493-L625 VanDerWaalsContact CG2-CD1 3.41Å; V493-L625 HydrophobicContact CG2-CD2 4.41Å; V493-L625 HydrophobicContact CG2-CG 3.64Å; T622-L625 HydrophobicContact CG2-CD2 3.76Å; T622-L625 HydrophobicContact CG2-CG 4.05Å; L625-I632 WeakPolarHBondContact O-CD1 3.44Å; L625-I632 VanDerWaalsContact O-CG1 3.26Å; L625-I632 WeakPolarHBondContact O-CG1 3.45Å; L625-I632 WeakPolarHBondContact O-CG2 3.26Å; L625-L635 HydrophobicContact CD2-CD2 3.68Å; L625-K642 HydrophobicContact CD1-CD 3.73Å; L625-K642 HydrophobicContact CD1-CG 4.21Å
626	V	66.1	Low	79.7	Confident	51 Å²	51	34 Å²	34	31%	0.309	18%	0.176	S	C	.	.			trans	-85.5	137.4	-179.8	-175.4	0	0	0	0	110.4	R789 F834	V626-R789 VanDerWaalsContact O-CZ 3.29Å; V626-R789 PolarHBondContact O-NH1 3.21Å; V626-R789 PolarHBondContact O-NH2 3.46Å; V626-F834 HydrophobicContact CB-CE2 4.14Å; V626-F834 HydrophobicContact CG1-CE2 4.26Å; V626-F834 HydrophobicContact CG2-CE2 3.87Å
627	R	69.5	Low	79.1	Confident	29 Å²	29	33.4 Å²	33.4	11%	0.109	17%	0.173	C	C	.	.			trans	-147.9	140.2	178.6	-158.4	179.4	152.6	128.5	1.3	105.7	H599 T600 P602 D629 I632	H599-R627 PolarHBondContact O-NH1 2.98Å; T600-R627 PolarHBondContact O-NH1 2.95Å; P602-R627 VanDerWaalsContact CD-NH1 3.32Å; R627-D629 WeakPolarHBondContact CD-OD1 3.17Å; R627-D629 WeakPolarHBondContact CG-OD1 2.9Å; R627-D629 IonicContact CZ-OD1 3.29Å; R627-D629 IonicContact CZ-OD2 3.59Å; R627-D629 VanDerWaalsContact NE-CG 3.31Å; R627-D629 IonicContact NE-OD1 3.37Å; R627-D629 PolarHBondContact NE-OD1 3.02Å; R627-D629 IonicContact NE-OD2 3.84Å; R627-D629 PolarHBondContact NE-OD2 2.86Å; R627-D629 IonicContact NH2-OD1 3.62Å; R627-D629 IonicContact NH2-OD2 2.67Å; R627-D629 PolarHBondContact NH2-OD2 3.34Å; R627-I632 HydrophobicContact CB-CD1 3.92Å; R627-I632 HydrophobicContact CB-CG1 3.44Å; R627-I632 VanDerWaalsContact CB-CG1 3.44Å
628	E	64.8	Low	78.8	Confident	92 Å²	92	33.8 Å²	33.8	43%	0.43	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.2	-169.1	-54.9	-157.1	144.3	0	0	114.1	G786 R788	E628-G786 VanDerWaalsContact CD-C 3.43Å; E628-G786 VanDerWaalsContact OE1-C 3.27Å; E628-G786 VanDerWaalsContact OE2-C 3.29Å; E628-G786 WeakPolarHBondContact OE2-CA 3.45Å; E628-R788 IonicContact OE1-CZ 3.8Å; E628-R788 IonicContact OE1-NE 3.66Å; E628-R788 PolarHBondContact OE1-NE 2.84Å; E628-R788 VanDerWaalsContact OE1-NE 3.09Å; E628-R788 IonicContact OE1-NH2 3.48Å; E628-R788 PolarHBondContact OE1-NH2 3.23Å
629	D	69	Low	78.4	Confident	52 Å²	52	32.8 Å²	32.8	28%	0.278	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	15.5	179.8	68	-12.9	0	0	0	113.3	R627 K631	R627-D629 WeakPolarHBondContact CD-OD1 3.17Å; R627-D629 WeakPolarHBondContact CG-OD1 2.9Å; R627-D629 IonicContact CZ-OD1 3.29Å; R627-D629 IonicContact CZ-OD2 3.59Å; R627-D629 VanDerWaalsContact NE-CG 3.31Å; R627-D629 IonicContact NE-OD1 3.37Å; R627-D629 PolarHBondContact NE-OD1 3.02Å; R627-D629 IonicContact NE-OD2 3.84Å; R627-D629 PolarHBondContact NE-OD2 2.86Å; R627-D629 IonicContact NH2-OD1 3.62Å; R627-D629 IonicContact NH2-OD2 2.67Å; R627-D629 PolarHBondContact NH2-OD2 3.34Å; D629-K631 WeakPolarHBondContact O-CG 3.47Å; D629-K631 PolarHBondContact O-N 2.93Å; D629-K631 PolarHBondContact OD1-N 2.95Å; D629-K631 WeakPolarHBondContact OD2-CD 3.35Å; D629-K631 IonicContact OD2-NZ 2.61Å; D629-K631 PolarHBondContact OD2-NZ 2.65Å
630	D	68.9	Low	77.8	Confident	114 Å²	114	33 Å²	33	61%	0.61	17%	0.173	S	C	*	.	S	Bend	trans	53	9.5	-179	-66.9	-36.4	0	0	0	117.4	I632 T633	D630-I632 PolarHBondContact O-N 2.92Å; D630-T633 PolarHBondContact O-OG1 3.25Å
631	K	72.2	Confident	77.2	Confident	78 Å²	78	34.3 Å²	34.3	34%	0.339	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	14.3	176.8	-60.7	-173.5	-167.6	113.2	0	114	P602 D629 T633 D634	P602-K631 HydrophobicContact CB-CB 3.86Å; P602-K631 WeakPolarHBondContact CG-O 3.32Å; D629-K631 WeakPolarHBondContact O-CG 3.47Å; D629-K631 PolarHBondContact O-N 2.93Å; D629-K631 PolarHBondContact OD1-N 2.95Å; D629-K631 WeakPolarHBondContact OD2-CD 3.35Å; D629-K631 IonicContact OD2-NZ 2.61Å; D629-K631 PolarHBondContact OD2-NZ 2.65Å; K631-T633 VanDerWaalsContact C-N 3.3Å; K631-D634 PolarHBondContact O-N 2.88Å
632	I	74	Confident	76.7	Confident	48 Å²	48	36.1 Å²	36.1	25%	0.246	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-34.5	177.3	-55.5	151.1	0	0	0	110.1	L625 R627 D630 D634 L635	L625-I632 WeakPolarHBondContact O-CD1 3.44Å; L625-I632 VanDerWaalsContact O-CG1 3.26Å; L625-I632 WeakPolarHBondContact O-CG1 3.45Å; L625-I632 WeakPolarHBondContact O-CG2 3.26Å; R627-I632 HydrophobicContact CB-CD1 3.92Å; R627-I632 HydrophobicContact CB-CG1 3.44Å; R627-I632 VanDerWaalsContact CB-CG1 3.44Å; D630-I632 PolarHBondContact O-N 2.92Å; I632-D634 PolarHBondContact O-N 3.37Å; I632-L635 WeakPolarHBondContact O-CB 3.25Å; I632-L635 PolarHBondContact O-N 3.24Å
633	T	74.3	Confident	76.5	Confident	82 Å²	82	36.9 Å²	36.9	50%	0.503	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.9	178	52.3	0	0	0	0	111.5	D630 K631 L635 N636	D630-T633 PolarHBondContact O-OG1 3.25Å; K631-T633 VanDerWaalsContact C-N 3.3Å; T633-L635 PolarHBondContact O-N 2.9Å; T633-N636 PolarHBondContact O-N 3.33Å
634	D	77.2	Confident	76.7	Confident	38 Å²	38	37.1 Å²	37.1	20%	0.203	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.4	176.8	-67.5	-4.8	0	0	0	113.4	R607 K631 I632 N636 F637 L638	R607-D634 IonicContact CZ-OD2 3.54Å; R607-D634 VanDerWaalsContact CZ-OD2 3.27Å; R607-D634 IonicContact NH1-OD2 2.89Å; R607-D634 PolarHBondContact NH1-OD2 3.15Å; R607-D634 VanDerWaalsContact NH1-OD2 3.14Å; R607-D634 IonicContact NH2-OD2 2.73Å; R607-D634 PolarHBondContact NH2-OD2 3.33Å; K631-D634 PolarHBondContact O-N 2.88Å; I632-D634 PolarHBondContact O-N 3.37Å; D634-N636 PolarHBondContact O-N 3.27Å; D634-F637 HydrophobicContact CB-CD1 4.36Å; D634-F637 HydrophobicContact CB-CE1 3.58Å; D634-F637 HydrophobicContact CB-CZ 3.75Å; D634-F637 WeakPolarHBondContact O-CD1 3.05Å; D634-F637 WeakPolarHBondContact O-CG 3.48Å; D634-F637 PolarHBondContact O-N 3.34Å; D634-F637 VanDerWaalsContact OD1-CE1 3.31Å; D634-F637 WeakPolarHBondContact OD1-CE1 3.06Å; D634-L638 HydrophobicContact CB-CD1 4.27Å; D634-L638 WeakPolarHBondContact O-CB 3.44Å; D634-L638 VanDerWaalsContact O-CG 3.23Å; D634-L638 WeakPolarHBondContact O-CG 3.09Å; D634-L638 PolarHBondContact O-N 2.79Å; D634-L638 VanDerWaalsContact O-N 3.1Å
635	L	82.7	Confident	77.2	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-36.3	-179.6	-159.6	80.2	0	0	0	112.3	V491 V598 I601 P602 L625 I632 T633 F637 L638 I639	V491-L635 HydrophobicContact CG1-CD2 4.41Å; V491-L635 HydrophobicContact CG2-CD2 3.86Å; V491-L635 HydrophobicContact CG2-CG 4.38Å; V598-L635 HydrophobicContact CG1-CD1 3.34Å; V598-L635 HydrophobicContact CG1-CD2 3.62Å; V598-L635 HydrophobicContact CG1-CG 3.82Å; I601-L635 HydrophobicContact CB-CD1 4.4Å; P602-L635 HydrophobicContact CG-CD1 4.14Å; L625-L635 HydrophobicContact CD2-CD2 3.68Å; I632-L635 WeakPolarHBondContact O-CB 3.25Å; I632-L635 PolarHBondContact O-N 3.24Å; T633-L635 PolarHBondContact O-N 2.9Å; L635-F637 VanDerWaalsContact C-N 3.25Å; L635-F637 PolarHBondContact O-N 3.07Å; L635-L638 PolarHBondContact O-N 3.39Å; L635-I639 HydrophobicContact CD1-CD1 3.87Å; L635-I639 HydrophobicContact CG-CD1 4.15Å; L635-I639 PolarHBondContact O-N 3.42Å; L635-I639 VanDerWaalsContact O-N 3.1Å
636	N	78.7	Confident	77.8	Confident	26 Å²	26	36.4 Å²	36.4	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-32.7	-176.3	-69.9	-26.9	0	0	0	112	Y204 T633 D634 G640	Y204-N636 HydrophobicContact CD1-CB 3.51Å; Y204-N636 HydrophobicContact CD2-CB 4.26Å; Y204-N636 VanDerWaalsContact CD2-ND2 3.27Å; Y204-N636 WeakPolarHBondContact CD2-ND2 3.28Å; Y204-N636 HydrophobicContact CE1-CB 3.48Å; Y204-N636 VanDerWaalsContact CE1-CB 3.48Å; Y204-N636 HydrophobicContact CE2-CB 4.23Å; Y204-N636 HydrophobicContact CG-CB 3.9Å; T633-N636 PolarHBondContact O-N 3.33Å; D634-N636 PolarHBondContact O-N 3.27Å; N636-G640 CarbonylContact O-C 3.59Å; N636-G640 WeakPolarHBondContact O-CA 3.41Å; N636-G640 PolarHBondContact O-N 3.17Å
637	F	78.6	Confident	78.4	Confident	13 Å²	13	34.5 Å²	34.5	6%	0.057	18%	0.177	C	C	.	.	H	α-helix	trans	-92.7	-31.6	177.8	72.8	-110	0	0	0	113.4	E432 Q435 I439 D634 L635	E432-F637 HydrophobicContact CG-CE2 3.95Å; Q435-F637 PolarHBondContact NE2-O 3.42Å; Q435-F637 PolarHBondContact OE1-O 3.43Å; I439-F637 HydrophobicContact CD1-CB 3.18Å; I439-F637 HydrophobicContact CD1-CD1 4.45Å; I439-F637 HydrophobicContact CD1-CG 4.16Å; D634-F637 HydrophobicContact CB-CD1 4.36Å; D634-F637 HydrophobicContact CB-CE1 3.58Å; D634-F637 HydrophobicContact CB-CZ 3.75Å; D634-F637 WeakPolarHBondContact O-CD1 3.05Å; D634-F637 WeakPolarHBondContact O-CG 3.48Å; D634-F637 PolarHBondContact O-N 3.34Å; D634-F637 VanDerWaalsContact OD1-CE1 3.31Å; D634-F637 WeakPolarHBondContact OD1-CE1 3.06Å; L635-F637 VanDerWaalsContact C-N 3.25Å; L635-F637 PolarHBondContact O-N 3.07Å
638	L	84.2	Confident	78.8	Confident	8 Å²	8	34.3 Å²	34.3	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-38.1	179.7	-72.9	174.6	0	0	0	112.6	E432 I601 R607 L610 K618 D634 L635	E432-L638 HydrophobicContact CG-CD2 4.07Å; I601-L638 HydrophobicContact CG2-CD1 4.37Å; R607-L638 HydrophobicContact CG-CD1 4.16Å; L610-L638 HydrophobicContact CD1-CB 3.71Å; L610-L638 HydrophobicContact CD1-CD2 4.13Å; L610-L638 HydrophobicContact CD1-CG 4.34Å; K618-L638 PolarHBondContact NZ-O 3.03Å; D634-L638 HydrophobicContact CB-CD1 4.27Å; D634-L638 WeakPolarHBondContact O-CB 3.44Å; D634-L638 VanDerWaalsContact O-CG 3.23Å; D634-L638 WeakPolarHBondContact O-CG 3.09Å; D634-L638 PolarHBondContact O-N 2.79Å; D634-L638 VanDerWaalsContact O-N 3.1Å; L635-L638 PolarHBondContact O-N 3.39Å
639	I	86.3	Confident	79.3	Confident	2 Å²	2	32 Å²	32	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-51	-175.9	-61	169.7	0	0	0	110.9	S489 V491 L595 V598 K618 L635	S489-I639 VanDerWaalsContact CB-O 3.27Å; S489-I639 WeakPolarHBondContact CB-O 3.38Å; V491-I639 HydrophobicContact CG2-CB 4.38Å; V491-I639 HydrophobicContact CG2-CD1 4.47Å; V491-I639 HydrophobicContact CG2-CG2 4.06Å; L595-I639 HydrophobicContact CD1-CD1 3.45Å; L595-I639 VanDerWaalsContact CD1-CD1 3.45Å; L595-I639 HydrophobicContact CD1-CG1 3.72Å; V598-I639 HydrophobicContact CG1-CD1 3.26Å; K618-I639 HydrophobicContact CB-CG2 4.02Å; L635-I639 HydrophobicContact CD1-CD1 3.87Å; L635-I639 HydrophobicContact CG-CD1 4.15Å; L635-I639 PolarHBondContact O-N 3.42Å; L635-I639 VanDerWaalsContact O-N 3.1Å
640	G	83	Confident	79.8	Confident	5 Å²	5	32.2 Å²	32.2	5%	0.052	17%	0.166	C	C	.	.			trans	142.6	177.4	-173.1	0	0	0	0	0	111.7	N636	N636-G640 CarbonylContact O-C 3.59Å; N636-G640 WeakPolarHBondContact O-CA 3.41Å; N636-G640 PolarHBondContact O-N 3.17Å
641	P	81.6	Confident	80.4	Confident	26 Å²	26	27 Å²	27	17%	0.169	14%	0.138	C	C	.	.			trans	-65.6	160.7	-176.8	28.3	-35.4	0	0	0	112.4	A208 G490 V491 L643	A208-P641 HydrophobicContact CB-CB 3.87Å; A208-P641 HydrophobicContact CB-CG 4.38Å; G490-P641 CarbonylContact C-O 3.26Å; G490-P641 WeakPolarHBondContact CA-O 3.45Å; V491-P641 PolarHBondContact N-O 3.02Å; P641-L643 HydrophobicContact CG-CD2 4.48Å; P641-L643 PolarHBondContact O-N 3.04Å
642	K	82.9	Confident	80.8	Confident	39 Å²	39	24.9 Å²	24.9	17%	0.17	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	108.3	168.3	-179.9	-177	172.8	-177.1	0	110	V491 V493 L625 E645	V491-K642 CarbonylContact O-C 3.56Å; V491-K642 WeakPolarHBondContact O-CA 3.42Å; V493-K642 HydrophobicContact CG2-CG 4.4Å; L625-K642 HydrophobicContact CD1-CD 3.73Å; L625-K642 HydrophobicContact CD1-CG 4.21Å; K642-E645 VanDerWaalsContact CE-CB 3.5Å; K642-E645 WeakPolarHBondContact CE-OE2 3.29Å; K642-E645 IonicContact NZ-OE2 2.94Å; K642-E645 PolarHBondContact NZ-OE2 3.35Å
643	L	85	Confident	81	Confident	15 Å²	15	28.5 Å²	28.5	8%	0.079	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-42.7	-176.7	-62.1	173.4	0	0	0	111.4	K480 M481 V491 I492 P641	K480-L643 WeakPolarHBondContact CD-O 3.46Å; M481-L643 HydrophobicContact CB-CD1 4.02Å; M481-L643 HydrophobicContact CG-CD1 4.17Å; V491-L643 PolarHBondContact O-N 3.3Å; I492-L643 HydrophobicContact CG1-CB 4.28Å; I492-L643 HydrophobicContact CG1-CD1 4.45Å; P641-L643 HydrophobicContact CG-CD2 4.48Å; P641-L643 PolarHBondContact O-N 3.04Å
644	Y	86.1	Confident	81.4	Confident	10 Å²	10	30.6 Å²	30.6	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	140.7	-174.7	-175.6	-103.7	0	0	0	111.4	K476 S477 K480 I492 V493 L494 A646	K476-Y644 HydrophobicContact CB-CE2 4.32Å; K476-Y644 HydrophobicContact CD-CE2 3.93Å; K476-Y644 HydrophobicContact CG-CD2 4.48Å; K476-Y644 HydrophobicContact CG-CE2 3.9Å; S477-Y644 VanDerWaalsContact CB-CD1 3.4Å; K480-Y644 HydrophobicContact CD-CD2 4.18Å; I492-Y644 HydrophobicContact CG2-CD1 4.5Å; V493-Y644 PolarHBondContact N-O 3.34Å; L494-Y644 HydrophobicContact CD2-CD1 4.07Å; L494-Y644 HydrophobicContact CD2-CE1 3.88Å; Y644-A646 HydrophobicContact CE1-CB 3.92Å
645	E	84.5	Confident	81.4	Confident	32 Å²	32	31.7 Å²	31.7	15%	0.15	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.1	165.5	-179.2	-171	157.3	0	0	109.1	P189 R192 V493 K642	P189-E645 WeakPolarHBondContact CG-OE2 3.24Å; R192-E645 IonicContact CZ-OE1 2.67Å; R192-E645 IonicContact NH1-OE1 3.42Å; R192-E645 IonicContact NH2-OE1 2.87Å; R192-E645 PolarHBondContact NH2-OE1 3.07Å; V493-E645 HydrophobicContact CB-CB 4.12Å; V493-E645 HydrophobicContact CB-CG 4.01Å; V493-E645 HydrophobicContact CG1-CG 4.12Å; V493-E645 WeakPolarHBondContact O-CA 3.44Å; K642-E645 VanDerWaalsContact CE-CB 3.5Å; K642-E645 WeakPolarHBondContact CE-OE2 3.29Å; K642-E645 IonicContact NZ-OE2 2.94Å; K642-E645 PolarHBondContact NZ-OE2 3.35Å
646	A	83.4	Confident	81.1	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.177	C	C	.	.			trans	-70.3	137	174.3	0	0	0	0	0	111.4	V493 L494 Y644 W648 L651	V493-A646 PolarHBondContact O-N 2.94Å; L494-A646 HydrophobicContact CD2-CB 3.75Å; Y644-A646 HydrophobicContact CE1-CB 3.92Å; A646-W648 PolarHBondContact O-N 3.21Å; A646-L651 HydrophobicContact CB-CD1 3.81Å; A646-L651 HydrophobicContact CB-CG 4.49Å
647	N	79	Confident	81	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.059	18%	0.178	C	C	.	.			trans	-76.2	117.9	170.6	-176	1.6	0	0	0	110.5	Q180 L649 E650 L651	Q180-N647 PolarHBondContact NE2-ND2 3.05Å; N647-L649 VanDerWaalsContact C-N 3.34Å; N647-L649 PolarHBondContact O-N 3.43Å; N647-L649 PolarHBondContact OD1-N 3.03Å; N647-L649 VanDerWaalsContact OD1-N 3.12Å; N647-E650 HydrophobicContact CB-CB 3.95Å; N647-E650 PolarHBondContact O-N 2.93Å; N647-L651 WeakPolarHBondContact O-CG 3.36Å; N647-L651 PolarHBondContact O-N 3.38Å; N647-L651 VanDerWaalsContact O-N 3.13Å
648	W	78.3	Confident	80.9	Confident	25 Å²	25	34.6 Å²	34.6	10%	0.095	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-44.9	177.5	-79.6	82.7	0	0	0	112.6	P495 A646 E650 L651 Q652 I657 Y840	P495-W648 HydrophobicContact CB-CD2 4.01Å; P495-W648 HydrophobicContact CB-CE3 4.15Å; P495-W648 HydrophobicContact CB-CH2 3.58Å; P495-W648 HydrophobicContact CB-CZ2 3.42Å; P495-W648 VanDerWaalsContact CB-CZ2 3.42Å; P495-W648 HydrophobicContact CB-CZ3 3.91Å; P495-W648 HydrophobicContact CG-CD2 4.38Å; A646-W648 PolarHBondContact O-N 3.21Å; W648-E650 VanDerWaalsContact C-N 3.3Å; W648-E650 PolarHBondContact O-N 3.24Å; W648-L651 PolarHBondContact O-N 3.26Å; W648-Q652 WeakPolarHBondContact O-CB 3.03Å; W648-Q652 PolarHBondContact O-N 3.39Å; W648-I657 HydrophobicContact CE3-CD1 4.26Å; W648-I657 HydrophobicContact CZ3-CD1 4.45Å; W648-Y840 WeakPolarHBondContact CH2-OH 3.28Å; W648-Y840 AromaticContact CZ3-CZ 3.91Å; W648-Y840 WeakPolarHBondContact CZ3-OH 3.47Å
649	L	75	Confident	80.8	Confident	44 Å²	44	39.3 Å²	39.3	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-37.6	-177.3	-167.2	69.8	0	0	0	111.5	N647 Q652 Q653	N647-L649 VanDerWaalsContact C-N 3.34Å; N647-L649 PolarHBondContact O-N 3.43Å; N647-L649 PolarHBondContact OD1-N 3.03Å; N647-L649 VanDerWaalsContact OD1-N 3.12Å; L649-Q652 PolarHBondContact O-N 2.72Å; L649-Q653 WeakPolarHBondContact O-CB 3.09Å; L649-Q653 WeakPolarHBondContact O-CG 3.49Å; L649-Q653 PolarHBondContact O-N 3.35Å
650	E	80	Confident	80.7	Confident	56 Å²	56	39.5 Å²	39.5	26%	0.262	20%	0.196	S	C	.	.	H	α-helix	trans	-67.6	-42.9	176.8	-173.6	-178.2	179.8	0	0	111.5	N647 W648 Q652 Q653 R654	N647-E650 HydrophobicContact CB-CB 3.95Å; N647-E650 PolarHBondContact O-N 2.93Å; W648-E650 VanDerWaalsContact C-N 3.3Å; W648-E650 PolarHBondContact O-N 3.24Å; E650-Q652 VanDerWaalsContact C-N 3.28Å; E650-Q652 PolarHBondContact O-N 2.97Å; E650-Q653 PolarHBondContact O-N 3.38Å; E650-R654 HydrophobicContact CG-CG 4.47Å; E650-R654 WeakPolarHBondContact O-CB 3.47Å; E650-R654 WeakPolarHBondContact O-CG 3.44Å; E650-R654 PolarHBondContact O-N 3.45Å; E650-R654 IonicContact OE1-CZ 2.77Å; E650-R654 IonicContact OE1-NE 3.4Å; E650-R654 PolarHBondContact OE1-NE 3.2Å; E650-R654 VanDerWaalsContact OE1-NE 3.08Å; E650-R654 IonicContact OE1-NH2 3.3Å; E650-R654 PolarHBondContact OE1-NH2 3.18Å
651	L	81.7	Confident	81	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-36.3	176.4	-67.7	-179.1	0	0	0	112.1	Y473 P495 A498 A646 N647 W648 G655 F656 I657	Y473-L651 HydrophobicContact CD1-CD2 3.29Å; Y473-L651 HydrophobicContact CD2-CD2 4.23Å; Y473-L651 HydrophobicContact CE1-CD2 3.43Å; Y473-L651 VanDerWaalsContact CE1-CD2 3.43Å; Y473-L651 HydrophobicContact CE2-CD2 4.36Å; Y473-L651 HydrophobicContact CG-CD2 3.72Å; P495-L651 HydrophobicContact CG-CD1 3.41Å; P495-L651 VanDerWaalsContact CG-CD1 3.41Å; A498-L651 HydrophobicContact CB-CD1 4.42Å; A646-L651 HydrophobicContact CB-CD1 3.81Å; A646-L651 HydrophobicContact CB-CG 4.49Å; N647-L651 WeakPolarHBondContact O-CG 3.36Å; N647-L651 PolarHBondContact O-N 3.38Å; N647-L651 VanDerWaalsContact O-N 3.13Å; W648-L651 PolarHBondContact O-N 3.26Å; L651-G655 PolarHBondContact O-N 2.98Å; L651-F656 HydrophobicContact CB-CB 4.47Å; L651-F656 HydrophobicContact CD2-CB 4.35Å; L651-F656 HydrophobicContact CD2-CD2 3.84Å; L651-F656 HydrophobicContact CD2-CG 4.49Å; L651-F656 PolarHBondContact O-N 3.36Å; L651-I657 HydrophobicContact CB-CB 4.48Å; L651-I657 HydrophobicContact CB-CD1 3.66Å; L651-I657 HydrophobicContact CB-CG1 3.96Å; L651-I657 HydrophobicContact CD1-CD1 3.65Å; L651-I657 HydrophobicContact CG-CD1 4.33Å; L651-I657 PolarHBondContact O-N 2.87Å
652	Q	79.5	Confident	81.4	Confident	34 Å²	34	39.3 Å²	39.3	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-42	175	179.4	178.8	-23.3	0	0	112.1	W648 L649 E650 G655 R659	W648-Q652 WeakPolarHBondContact O-CB 3.03Å; W648-Q652 PolarHBondContact O-N 3.39Å; L649-Q652 PolarHBondContact O-N 2.72Å; E650-Q652 VanDerWaalsContact C-N 3.28Å; E650-Q652 PolarHBondContact O-N 2.97Å; Q652-G655 PolarHBondContact O-N 3.37Å; Q652-R659 HydrophobicContact CG-CB 4.26Å; Q652-R659 HydrophobicContact CG-CG 3.6Å
653	Q	79.3	Confident	81.9	Confident	124 Å²	124	37.7 Å²	37.7	58%	0.579	19%	0.185	S	C	*	.	H	α-helix	trans	-66.9	-39.8	177.4	-76.7	173	0.2	0	0	112.3	L649 E650 G655	L649-Q653 WeakPolarHBondContact O-CB 3.09Å; L649-Q653 WeakPolarHBondContact O-CG 3.49Å; L649-Q653 PolarHBondContact O-N 3.35Å; E650-Q653 PolarHBondContact O-N 3.38Å; Q653-G655 PolarHBondContact O-N 3.29Å
654	R	81.8	Confident	82.3	Confident	126 Å²	126	37.2 Å²	37.2	48%	0.475	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-1.6	176	-66.9	-176.5	-174.6	-139.7	7.7	113.7	E650 F656	E650-R654 HydrophobicContact CG-CG 4.47Å; E650-R654 WeakPolarHBondContact O-CB 3.47Å; E650-R654 WeakPolarHBondContact O-CG 3.44Å; E650-R654 PolarHBondContact O-N 3.45Å; E650-R654 IonicContact OE1-CZ 2.77Å; E650-R654 IonicContact OE1-NE 3.4Å; E650-R654 PolarHBondContact OE1-NE 3.2Å; E650-R654 VanDerWaalsContact OE1-NE 3.08Å; E650-R654 IonicContact OE1-NH2 3.3Å; E650-R654 PolarHBondContact OE1-NH2 3.18Å; R654-F656 VanDerWaalsContact C-N 3.31Å; R654-F656 HydrophobicContact CB-CD2 3.7Å; R654-F656 HydrophobicContact CB-CE2 3.74Å; R654-F656 HydrophobicContact CG-CE2 4.45Å; R654-F656 PolarHBondContact O-N 3.37Å
655	G	77.1	Confident	82.7	Confident	61 Å²	61	36.8 Å²	36.8	63%	0.629	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	13.1	177.8	0	0	0	0	0	115	L651 Q652 Q653 I657	L651-G655 PolarHBondContact O-N 2.98Å; Q652-G655 PolarHBondContact O-N 3.37Å; Q653-G655 PolarHBondContact O-N 3.29Å; G655-I657 VanDerWaalsContact C-N 3.34Å
656	F	76.7	Confident	83.2	Confident	67 Å²	67	38.8 Å²	38.8	29%	0.294	19%	0.188	S	C	.	.	S	Bend	trans	-75.8	-25.6	173.8	-64.1	-56.8	0	0	0	112.6	R471 Y473 L651 R654	R471-F656 HydrophobicContact CB-CE1 4.47Å; R471-F656 HydrophobicContact CB-CZ 4.39Å; R471-F656 HydrophobicContact CG-CE1 4.04Å; R471-F656 HydrophobicContact CG-CZ 4.44Å; Y473-F656 HydrophobicContact CD1-CD2 4.06Å; Y473-F656 HydrophobicContact CD1-CE2 4.01Å; Y473-F656 HydrophobicContact CE1-CD1 4.42Å; Y473-F656 AromaticContact CE1-CD2 3.69Å; Y473-F656 HydrophobicContact CE1-CD2 3.69Å; Y473-F656 AromaticContact CE1-CE2 3.9Å; Y473-F656 HydrophobicContact CE1-CE2 3.9Å; Y473-F656 AromaticContact CE1-CG 3.97Å; Y473-F656 HydrophobicContact CE1-CG 3.97Å; Y473-F656 HydrophobicContact CE1-CZ 4.37Å; L651-F656 HydrophobicContact CB-CB 4.47Å; L651-F656 HydrophobicContact CD2-CB 4.35Å; L651-F656 HydrophobicContact CD2-CD2 3.84Å; L651-F656 HydrophobicContact CD2-CG 4.49Å; L651-F656 PolarHBondContact O-N 3.36Å; R654-F656 VanDerWaalsContact C-N 3.31Å; R654-F656 HydrophobicContact CB-CD2 3.7Å; R654-F656 HydrophobicContact CB-CE2 3.74Å; R654-F656 HydrophobicContact CG-CE2 4.45Å; R654-F656 PolarHBondContact O-N 3.37Å
657	I	77.2	Confident	83.7	Confident	30 Å²	30	38.8 Å²	38.8	15%	0.154	19%	0.187	C	C	.	.	S	Bend	trans	-127.9	147.9	178.2	-60	179.1	0	0	0	108.9	P495 W648 L651 G655	P495-I657 HydrophobicContact CB-CD1 4.04Å; P495-I657 HydrophobicContact CG-CD1 3.58Å; W648-I657 HydrophobicContact CE3-CD1 4.26Å; W648-I657 HydrophobicContact CZ3-CD1 4.45Å; L651-I657 HydrophobicContact CB-CB 4.48Å; L651-I657 HydrophobicContact CB-CD1 3.66Å; L651-I657 HydrophobicContact CB-CG1 3.96Å; L651-I657 HydrophobicContact CD1-CD1 3.65Å; L651-I657 HydrophobicContact CG-CD1 4.33Å; L651-I657 PolarHBondContact O-N 2.87Å; G655-I657 VanDerWaalsContact C-N 3.34Å
658	A	76.9	Confident	84.5	Confident	6 Å²	6	41.2 Å²	41.2	5%	0.05	20%	0.204	C	C	.	.			trans	-65.3	149.7	176.5	0	0	0	0	0	112.5	V660 A801 A812	A658-V660 PolarHBondContact O-N 2.87Å; A658-A801 HydrophobicContact CB-CB 4.09Å; A658-A812 HydrophobicContact CB-CB 3.9Å
659	R	80.8	Confident	85.2	Confident	107 Å²	107	41.3 Å²	41.3	40%	0.404	21%	0.207	S	C	.	.			trans	-82.4	101.7	168.9	-56.3	-165.8	175.1	173.1	3	108.7	Q652 A809 Y810 N811 A812	Q652-R659 HydrophobicContact CG-CB 4.26Å; Q652-R659 HydrophobicContact CG-CG 3.6Å; R659-A809 WeakPolarHBondContact CD-O 3.29Å; R659-Y810 HydrophobicContact CB-CD1 4.38Å; R659-N811 PolarHBondContact N-OD1 3.1Å; R659-N811 PolarHBondContact O-N 2.91Å; R659-N811 PolarHBondContact O-OD1 2.87Å; R659-A812 PolarHBondContact O-N 3.33Å
660	V	84.8	Confident	86.1	Confident	6 Å²	6	39.5 Å²	39.5	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.3	-177.3	-175.9	0	0	0	0	110.5	A658 L795 L799 A812 F814 Y840	A658-V660 PolarHBondContact O-N 2.87Å; V660-L795 HydrophobicContact CG1-CD2 4.34Å; V660-L795 HydrophobicContact CG2-CD2 4.27Å; V660-L799 HydrophobicContact CB-CD1 4.23Å; V660-L799 HydrophobicContact CG1-CD1 3.48Å; V660-L799 VanDerWaalsContact CG1-CD1 3.48Å; V660-L799 HydrophobicContact CG2-CB 4.28Å; V660-L799 HydrophobicContact CG2-CD1 3.65Å; V660-A812 WeakPolarHBondContact CA-O 3.3Å; V660-A812 HydrophobicContact CG2-CB 4.04Å; V660-F814 HydrophobicContact CG1-CB 4.01Å; V660-Y840 HydrophobicContact CB-CD1 4.19Å; V660-Y840 HydrophobicContact CB-CE1 4.18Å; V660-Y840 HydrophobicContact CG2-CE1 4.38Å
661	Q	89	Confident	86.8	Confident	27 Å²	27	41.5 Å²	41.5	13%	0.126	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.2	163.4	-178.3	61.9	53.8	0	0	109	Y810 A812 F813 F814 S841	Q661-Y810 HydrophobicContact CB-CD1 3.94Å; Q661-Y810 HydrophobicContact CB-CE1 4.46Å; Q661-Y810 HydrophobicContact CB-CG 3.98Å; Q661-A812 PolarHBondContact N-O 3.47Å; Q661-F813 HydrophobicContact CB-CD1 4.12Å; Q661-F813 HydrophobicContact CB-CE1 4.44Å; Q661-F814 PolarHBondContact O-N 2.88Å; Q661-S841 PolarHBondContact NE2-O 2.9Å; Q661-S841 PolarHBondContact NE2-OG 3.08Å; Q661-S841 VanDerWaalsContact NE2-OG 3.15Å; Q661-S841 PolarHBondContact OE1-OG 2.63Å
662	C	90.4	Very high	87.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.3	171	-59.6	0	0	0	0	108.9	F814 S841 Y842 K843	C662-F814 CarbonylContact C-O 3.58Å; C662-F814 WeakPolarHBondContact CA-O 3.47Å; C662-F814 HydrophobicContact CB-CD1 4.05Å; C662-S841 WeakPolarHBondContact CA-O 3.47Å; C662-S841 VanDerWaalsContact CB-O 3.26Å; C662-S841 WeakPolarHBondContact CB-O 3.22Å; C662-S841 PolarHBondContact N-O 2.98Å; C662-Y842 HydrophobicContact CB-CD2 3.73Å; C662-Y842 HydrophobicContact CB-CE2 4.24Å; C662-Y842 WeakPolarHBondContact O-CA 3.25Å; C662-K843 PolarHBondContact O-N 3.25Å
663	A	93.1	Very high	88	Confident	5 Å²	5	42.7 Å²	42.7	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	119.9	179.8	0	0	0	0	0	110.2	F814 Y815 S816 K843 I845	A663-F814 PolarHBondContact N-O 3.41Å; A663-Y815 HydrophobicContact CB-CD1 3.66Å; A663-Y815 HydrophobicContact CB-CE1 3.85Å; A663-Y815 CarbonylContact O-C 3.6Å; A663-Y815 VanDerWaalsContact O-CA 3.27Å; A663-Y815 WeakPolarHBondContact O-CA 3.34Å; A663-S816 PolarHBondContact O-N 3.06Å; A663-K843 CarbonylContact C-O 3.56Å; A663-K843 VanDerWaalsContact CA-O 3.25Å; A663-K843 WeakPolarHBondContact CA-O 3.43Å; A663-I845 HydrophobicContact CB-CD1 3.9Å
664	E	94.1	Very high	88.7	Confident	5 Å²	5	40.6 Å²	40.6	2%	0.023	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.6	168.9	-161.2	-175.4	149.8	0	0	108.8	W666 S816 V818 A828 Y842 K843 V844 I845	E664-W666 VanDerWaalsContact CD-NE1 3.28Å; E664-W666 VanDerWaalsContact OE1-CD1 3.31Å; E664-W666 PolarHBondContact OE1-NE1 3.4Å; E664-S816 WeakPolarHBondContact CA-O 3.31Å; E664-V818 HydrophobicContact CG-CB 4.39Å; E664-V818 HydrophobicContact CG-CG2 3.69Å; E664-V818 WeakPolarHBondContact OE1-CG2 3.25Å; E664-A828 VanDerWaalsContact OE1-CB 3.26Å; E664-A828 WeakPolarHBondContact OE1-CB 3.18Å; E664-Y842 HydrophobicContact CB-CE1 3.95Å; E664-Y842 WeakPolarHBondContact CB-OH 3.4Å; E664-Y842 PolarHBondContact OE2-OH 2.95Å; E664-K843 PolarHBondContact N-O 2.83Å; E664-V844 HydrophobicContact CB-CG2 4.45Å; E664-V844 CarbonylContact O-C 3.52Å; E664-I845 PolarHBondContact O-N 2.82Å
665	V	94.9	Very high	89.3	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.1	179.9	-170.4	0	0	0	0	109	C667 V698 Y815 S816 L817 V818 I845 L848	V665-C667 PolarHBondContact O-N 3.11Å; V665-C667 PolarHBondContact O-SG 3.23Å; V665-V698 HydrophobicContact CB-CG1 4.34Å; V665-V698 HydrophobicContact CG1-CG1 3.7Å; V665-Y815 HydrophobicContact CG2-CD1 4.01Å; V665-S816 PolarHBondContact N-O 3.38Å; V665-L817 HydrophobicContact CB-CD2 3.84Å; V665-L817 HydrophobicContact CG2-CD2 4.18Å; V665-V818 PolarHBondContact O-N 3.03Å; V665-I845 WeakPolarHBondContact CA-O 3.47Å; V665-I845 HydrophobicContact CG2-CB 4.43Å; V665-L848 HydrophobicContact CG1-CD1 4.13Å; V665-L848 HydrophobicContact CG1-CG 4.32Å
666	W	95	Very high	89.9	Confident	74 Å²	74	40.5 Å²	40.5	28%	0.28	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.5	178.6	-71.2	0.7	0	0	0	110.2	E664 Q820 M825 V844 I845 T846	E664-W666 VanDerWaalsContact CD-NE1 3.28Å; E664-W666 VanDerWaalsContact OE1-CD1 3.31Å; E664-W666 PolarHBondContact OE1-NE1 3.4Å; W666-Q820 HydrophobicContact CB-CG 3.87Å; W666-Q820 HydrophobicContact CG-CG 4.37Å; W666-M825 HydrophobicContact CH2-CE 4.46Å; W666-M825 HydrophobicContact CZ2-CE 4.37Å; W666-V844 HydrophobicContact CD2-CG1 3.71Å; W666-V844 VanDerWaalsContact CE2-CG1 3.47Å; W666-V844 HydrophobicContact CE3-CG1 4.23Å; W666-V844 HydrophobicContact CG-CG1 4.1Å; W666-V844 HydrophobicContact CH2-CG1 4.34Å; W666-V844 HydrophobicContact CZ2-CG1 3.82Å; W666-I845 PolarHBondContact N-O 3.32Å; W666-T846 HydrophobicContact CD2-CG2 4.47Å; W666-T846 HydrophobicContact CE3-CG2 3.82Å; W666-T846 HydrophobicContact CZ3-CG2 4.47Å
667	C	94.2	Very high	90.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.9	-178.5	-58.7	0	0	0	0	108.3	V665 V669 K695 V818 S819 Q820	V665-C667 PolarHBondContact O-N 3.11Å; V665-C667 PolarHBondContact O-SG 3.23Å; C667-V669 PolarHBondContact O-N 2.67Å; C667-K695 HydrophobicContact CB-CB 4.11Å; C667-V818 PolarHBondContact N-O 2.76Å; C667-S819 WeakPolarHBondContact O-CA 3.34Å; C667-Q820 PolarHBondContact O-N 3Å
668	P	94.8	Very high	91.3	Very high	62 Å²	62	41.3 Å²	41.3	40%	0.403	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-55.3	135.6	173	-22.8	31.3	0	0	0	110.5	N692 N694	P668-N692 PolarHBondContact O-ND2 2.72Å; P668-N692 VanDerWaalsContact O-ND2 3.12Å; P668-N694 VanDerWaalsContact O-CB 3.27Å; P668-N694 WeakPolarHBondContact O-CB 3.26Å; P668-N694 PolarHBondContact O-ND2 3.36Å
669	V	93	Very high	92	Very high	26 Å²	26	46.3 Å²	46.3	16%	0.158	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-78.9	140.4	175.8	-175.6	0	0	0	0	109.1	C667 F673 Y674 Q820 T822	C667-V669 PolarHBondContact O-N 2.67Å; V669-F673 HydrophobicContact CG1-CB 3.87Å; V669-Y674 HydrophobicContact CB-CD2 4.35Å; V669-Y674 HydrophobicContact CG1-CD2 4.36Å; V669-Q820 VanDerWaalsContact CG2-O 3.31Å; V669-Q820 WeakPolarHBondContact CG2-O 3.46Å; V669-T822 HydrophobicContact CG2-CG2 3.95Å
670	T	94	Very high	92.1	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.043	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-69.1	143.2	175.3	57.1	0	0	0	0	110.3	E672 F673 Y674 P693	T670-E672 PolarHBondContact O-N 2.85Å; T670-E672 VanDerWaalsContact O-N 3.13Å; T670-F673 PolarHBondContact O-N 2.92Å; T670-F673 WeakPolarHBondContact OG1-CD2 3.12Å; T670-Y674 PolarHBondContact O-N 3.3Å; T670-P693 HydrophobicContact CG2-CB 4.2Å; T670-P693 HydrophobicContact CG2-CG 4.09Å
671	P	94	Very high	91.8	Very high	98 Å²	98	52.6 Å²	52.6	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-55.2	-36	-175.7	-27.1	34.9	0	0	0	113.7	Y674 R675	P671-Y674 PolarHBondContact O-N 3.42Å; P671-R675 WeakPolarHBondContact O-CB 3.38Å; P671-R675 PolarHBondContact O-N 2.66Å
672	E	93.3	Very high	91.3	Very high	61 Å²	61	53.4 Å²	53.4	29%	0.285	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-42.3	179	-59.3	82.7	177.9	0	0	111.8	T670 K861 L868	T670-E672 PolarHBondContact O-N 2.85Å; T670-E672 VanDerWaalsContact O-N 3.13Å; E672-K861 IonicContact OE1-NZ 3.83Å; E672-K861 PolarHBondContact OE1-NZ 2.77Å; E672-L868 HydrophobicContact CB-CD2 4.03Å
673	F	93.7	Very high	90.6	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-71.8	-38	175.3	-83.8	-109.4	0	0	0	111.8	V669 T670 E676 Y677 L688 M691 P693 L867 L868	V669-F673 HydrophobicContact CG1-CB 3.87Å; T670-F673 PolarHBondContact O-N 2.92Å; T670-F673 WeakPolarHBondContact OG1-CD2 3.12Å; F673-E676 PolarHBondContact O-N 3.3Å; F673-Y677 WeakPolarHBondContact O-CB 3.46Å; F673-Y677 PolarHBondContact O-N 3.1Å; F673-L688 HydrophobicContact CD1-CD2 3.91Å; F673-L688 HydrophobicContact CE1-CD2 4.3Å; F673-M691 HydrophobicContact CE1-CB 4.26Å; F673-M691 VanDerWaalsContact CE1-O 3.3Å; F673-M691 WeakPolarHBondContact CE1-O 3.2Å; F673-P693 HydrophobicContact CD2-CG 4.03Å; F673-P693 HydrophobicContact CE2-CG 3.57Å; F673-P693 HydrophobicContact CZ-CG 4Å; F673-L867 HydrophobicContact CZ-CB 4.38Å; F673-L867 HydrophobicContact CZ-CD2 4.2Å; F673-L867 HydrophobicContact CZ-CG 4.02Å; F673-L868 HydrophobicContact CD1-CD1 4.09Å; F673-L868 HydrophobicContact CD2-CB 4.42Å; F673-L868 HydrophobicContact CD2-CD1 4.02Å; F673-L868 HydrophobicContact CE1-CD1 4.06Å; F673-L868 HydrophobicContact CE2-CB 3.74Å; F673-L868 HydrophobicContact CE2-CD1 4.01Å; F673-L868 HydrophobicContact CE2-CG 4.35Å; F673-L868 HydrophobicContact CG-CD1 4.07Å; F673-L868 HydrophobicContact CZ-CB 3.91Å; F673-L868 HydrophobicContact CZ-CD1 4.02Å
674	Y	93.9	Very high	90	Very high	79 Å²	79	59.9 Å²	59.9	31%	0.31	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-39.4	-178.9	-168.7	-112.7	0	0	0	111.9	V669 T670 P671 Y677 L678 D821	V669-Y674 HydrophobicContact CB-CD2 4.35Å; V669-Y674 HydrophobicContact CG1-CD2 4.36Å; T670-Y674 PolarHBondContact O-N 3.3Å; P671-Y674 PolarHBondContact O-N 3.42Å; Y674-Y677 HydrophobicContact CD2-CD1 4.25Å; Y674-Y677 HydrophobicContact CE2-CD1 4.21Å; Y674-Y677 WeakPolarHBondContact O-CB 3.48Å; Y674-Y677 PolarHBondContact O-N 3.37Å; Y674-L678 HydrophobicContact CD1-CD1 4Å; Y674-L678 HydrophobicContact CD1-CG 4.4Å; Y674-L678 HydrophobicContact CE1-CD1 3.56Å; Y674-L678 HydrophobicContact CE1-CD2 4.46Å; Y674-L678 HydrophobicContact CE1-CG 4.08Å; Y674-L678 WeakPolarHBondContact O-CG 3.44Å; Y674-L678 PolarHBondContact O-N 3.05Å; Y674-D821 HydrophobicContact CE2-CB 3.84Å
675	R	93.7	Very high	89.6	Confident	148 Å²	148	61.9 Å²	61.9	56%	0.558	30%	0.301	S	S	*	.	H	α-helix	trans	-59.7	-47.8	174.7	-172.2	-175.7	68.5	-171.1	-0.2	112	P671 Y677 L678 N679	P671-R675 WeakPolarHBondContact O-CB 3.38Å; P671-R675 PolarHBondContact O-N 2.66Å; R675-Y677 VanDerWaalsContact C-N 3.31Å; R675-Y677 PolarHBondContact O-N 3.18Å; R675-L678 PolarHBondContact O-N 2.86Å; R675-N679 VanDerWaalsContact O-CG 3.28Å; R675-N679 PolarHBondContact O-N 2.81Å; R675-N679 PolarHBondContact O-ND2 2.78Å
676	E	91.4	Very high	89.1	Confident	37 Å²	37	63.1 Å²	63.1	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-35.9	177	-58	-49.7	139.9	0	0	111.4	F673 L678 N679 M680 L688 L868 L872	F673-E676 PolarHBondContact O-N 3.3Å; E676-L678 PolarHBondContact O-N 3.29Å; E676-N679 PolarHBondContact O-N 3.02Å; E676-M680 WeakPolarHBondContact O-CB 3.48Å; E676-M680 WeakPolarHBondContact O-CG 3.42Å; E676-M680 PolarHBondContact O-N 3.02Å; E676-L688 HydrophobicContact CB-CD1 3.93Å; E676-L688 HydrophobicContact CB-CD2 4.49Å; E676-L868 HydrophobicContact CG-CD1 4.18Å; E676-L868 HydrophobicContact CG-CD2 4.42Å; E676-L872 HydrophobicContact CB-CD2 4.48Å; E676-L872 HydrophobicContact CG-CD2 4.35Å
677	Y	91.3	Very high	88.8	Confident	11 Å²	11	59.6 Å²	59.6	4%	0.043	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-41.1	176.7	171.3	-91.7	0	0	0	112.5	F673 Y674 R675 K685 T689 T822 M823	F673-Y677 WeakPolarHBondContact O-CB 3.46Å; F673-Y677 PolarHBondContact O-N 3.1Å; Y674-Y677 HydrophobicContact CD2-CD1 4.25Å; Y674-Y677 HydrophobicContact CE2-CD1 4.21Å; Y674-Y677 WeakPolarHBondContact O-CB 3.48Å; Y674-Y677 PolarHBondContact O-N 3.37Å; R675-Y677 VanDerWaalsContact C-N 3.31Å; R675-Y677 PolarHBondContact O-N 3.18Å; Y677-K685 HydrophobicContact CD2-CB 4.49Å; Y677-K685 HydrophobicContact CD2-CD 3.98Å; Y677-K685 HydrophobicContact CD2-CG 3.23Å; Y677-K685 VanDerWaalsContact CE1-CE 3.46Å; Y677-K685 HydrophobicContact CE2-CD 3.61Å; Y677-K685 HydrophobicContact CE2-CG 3.26Å; Y677-K685 HydrophobicContact CG-CG 4.04Å; Y677-K685 WeakPolarHBondContact O-CE 3.32Å; Y677-K685 PolarHBondContact OH-NZ 2.84Å; Y677-T689 HydrophobicContact CD2-CG2 3.58Å; Y677-T689 HydrophobicContact CE2-CG2 3.23Å; Y677-T822 HydrophobicContact CD2-CG2 4.45Å; Y677-T822 HydrophobicContact CE1-CG2 4.12Å; Y677-T822 HydrophobicContact CE2-CG2 4.02Å; Y677-T822 WeakPolarHBondContact OH-CA 3.31Å; Y677-M823 PolarHBondContact OH-N 3.3Å
678	L	92.2	Very high	88.6	Confident	103 Å²	103	59.7 Å²	59.7	54%	0.539	30%	0.295	S	S	.	.	H	α-helix	trans	-70.5	-35.1	176.5	-68.6	179.1	0	0	0	112.8	Y674 R675 E676 M680	Y674-L678 HydrophobicContact CD1-CD1 4Å; Y674-L678 HydrophobicContact CD1-CG 4.4Å; Y674-L678 HydrophobicContact CE1-CD1 3.56Å; Y674-L678 HydrophobicContact CE1-CD2 4.46Å; Y674-L678 HydrophobicContact CE1-CG 4.08Å; Y674-L678 WeakPolarHBondContact O-CG 3.44Å; Y674-L678 PolarHBondContact O-N 3.05Å; R675-L678 PolarHBondContact O-N 2.86Å; E676-L678 PolarHBondContact O-N 3.29Å; L678-M680 VanDerWaalsContact C-N 3.32Å
679	N	90.3	Very high	88.4	Confident	111 Å²	111	57 Å²	57	59%	0.594	28%	0.278	S	S	*	.	H	α-helix	trans	-74.1	-24	-179.5	-70.1	-18.9	0	0	0	113	R675 E676	R675-N679 VanDerWaalsContact O-CG 3.28Å; R675-N679 PolarHBondContact O-N 2.81Å; R675-N679 PolarHBondContact O-ND2 2.78Å; E676-N679 PolarHBondContact O-N 3.02Å
680	M	83.8	Confident	88.2	Confident	35 Å²	35	56 Å²	56	17%	0.172	27%	0.271	C	S	.	.			trans	-93.2	121.1	-173.8	-72.9	179.7	67.6	0	0	112.7	E676 L678 K684 K685 L688 L872	E676-M680 WeakPolarHBondContact O-CB 3.48Å; E676-M680 WeakPolarHBondContact O-CG 3.42Å; E676-M680 PolarHBondContact O-N 3.02Å; L678-M680 VanDerWaalsContact C-N 3.32Å; M680-K684 HydrophobicContact CE-CB 3.43Å; M680-K684 VanDerWaalsContact CE-CB 3.43Å; M680-K684 HydrophobicContact CE-CD 3.36Å; M680-K684 HydrophobicContact CE-CG 3.5Å; M680-K684 VanDerWaalsContact CE-CG 3.5Å; M680-K685 HydrophobicContact CB-CB 4.5Å; M680-L688 HydrophobicContact SD-CD1 3.48Å; M680-L688 WeakPolarHBondContact SD-CD1 3.4Å; M680-L688 HydrophobicContact SD-CG 4.45Å; M680-L872 HydrophobicContact SD-CD2 4.34Å
681	K	78.1	Confident	88.1	Confident	210 Å²	210	55.7 Å²	55.7	91%	0.913	27%	0.269	S	S	*	.			trans	-90.9	-21.3	171	-61.8	-171.5	178.4	-170.4	0	113.8
682	S	77.8	Confident	88.1	Confident	45 Å²	45	51 Å²	51	32%	0.315	24%	0.239	S	C	.	.	S	Bend	trans	-69.5	157.9	-179.6	166.4	0	0	0	0	112.2	K684 K685 D876	S682-K684 PolarHBondContact O-N 3.06Å; S682-K684 PolarHBondContact OG-N 2.82Å; S682-K685 WeakPolarHBondContact O-CB 3.46Å; S682-K685 PolarHBondContact O-N 3.36Å; S682-D876 PolarHBondContact OG-OD1 2.88Å; S682-D876 PolarHBondContact OG-OD2 2.88Å
683	M	76.3	Confident	88.2	Confident	110 Å²	110	48.1 Å²	48.1	54%	0.542	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-22.9	171.4	-68.9	-61.6	-76.8	0	0	114	K685 L686	M683-K685 PolarHBondContact O-N 2.94Å; M683-K685 VanDerWaalsContact O-N 3.07Å; M683-L686 HydrophobicContact CE-CD1 3.46Å; M683-L686 VanDerWaalsContact CE-CD1 3.46Å; M683-L686 WeakPolarHBondContact O-CB 3.5Å; M683-L686 WeakPolarHBondContact O-CG 3.29Å; M683-L686 PolarHBondContact O-N 2.92Å; M683-L686 HydrophobicContact SD-CD1 4.15Å
684	K	80.7	Confident	88.2	Confident	30 Å²	30	50 Å²	50	13%	0.13	24%	0.236	C	C	.	.	H	α-helix	trans	-58.2	-19.1	171.9	-171.1	-171	-86.4	178.6	0	113.1	M680 S682 L686 L687 L688 L872 S874 A879	M680-K684 HydrophobicContact CE-CB 3.43Å; M680-K684 VanDerWaalsContact CE-CB 3.43Å; M680-K684 HydrophobicContact CE-CD 3.36Å; M680-K684 HydrophobicContact CE-CG 3.5Å; M680-K684 VanDerWaalsContact CE-CG 3.5Å; S682-K684 PolarHBondContact O-N 3.06Å; S682-K684 PolarHBondContact OG-N 2.82Å; K684-L686 PolarHBondContact O-N 3.28Å; K684-L687 HydrophobicContact CG-CB 4.5Å; K684-L687 WeakPolarHBondContact O-CB 3.47Å; K684-L687 PolarHBondContact O-N 3.5Å; K684-L688 PolarHBondContact O-N 3.42Å; K684-L872 PolarHBondContact NZ-O 3.2Å; K684-S874 WeakPolarHBondContact CE-O 3.4Å; K684-S874 PolarHBondContact NZ-O 2.92Å; K684-A879 HydrophobicContact CB-CB 4.35Å
685	K	85.2	Confident	88.2	Confident	47 Å²	47	46.2 Å²	46.2	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-52	-37.4	168.6	-170	-171.6	-156.8	-158.8	0	112.7	Y677 M680 S682 M683 L687 L688 T689 M823	Y677-K685 HydrophobicContact CD2-CB 4.49Å; Y677-K685 HydrophobicContact CD2-CD 3.98Å; Y677-K685 HydrophobicContact CD2-CG 3.23Å; Y677-K685 VanDerWaalsContact CE1-CE 3.46Å; Y677-K685 HydrophobicContact CE2-CD 3.61Å; Y677-K685 HydrophobicContact CE2-CG 3.26Å; Y677-K685 HydrophobicContact CG-CG 4.04Å; Y677-K685 WeakPolarHBondContact O-CE 3.32Å; Y677-K685 PolarHBondContact OH-NZ 2.84Å; M680-K685 HydrophobicContact CB-CB 4.5Å; S682-K685 WeakPolarHBondContact O-CB 3.46Å; S682-K685 PolarHBondContact O-N 3.36Å; M683-K685 PolarHBondContact O-N 2.94Å; M683-K685 VanDerWaalsContact O-N 3.07Å; K685-L687 VanDerWaalsContact C-N 3.32Å; K685-L687 PolarHBondContact O-N 2.81Å; K685-L688 WeakPolarHBondContact O-CB 3.18Å; K685-L688 PolarHBondContact O-N 2.76Å; K685-T689 PolarHBondContact O-N 2.92Å; K685-M823 HydrophobicContact CD-SD 4.47Å
686	L	84.5	Confident	88.3	Confident	28 Å²	28	39.2 Å²	39.2	15%	0.147	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-34	176.9	-59.6	167.9	0	0	0	112.4	M683 K684 L688 T689 A690 H784	M683-L686 HydrophobicContact CE-CD1 3.46Å; M683-L686 VanDerWaalsContact CE-CD1 3.46Å; M683-L686 WeakPolarHBondContact O-CB 3.5Å; M683-L686 WeakPolarHBondContact O-CG 3.29Å; M683-L686 PolarHBondContact O-N 2.92Å; M683-L686 HydrophobicContact SD-CD1 4.15Å; K684-L686 PolarHBondContact O-N 3.28Å; L686-L688 VanDerWaalsContact C-N 3.28Å; L686-L688 PolarHBondContact O-N 3.43Å; L686-T689 PolarHBondContact O-N 2.94Å; L686-T689 PolarHBondContact O-OG1 2.61Å; L686-A690 PolarHBondContact O-N 3.06Å; L686-A690 VanDerWaalsContact O-N 3.07Å; L686-H784 WeakPolarHBondContact CD1-CE1 3.31Å; L686-H784 WeakPolarHBondContact CD1-NE2 3.26Å; L686-H784 VanDerWaalsContact CD2-CE1 3.4Å; L686-H784 WeakPolarHBondContact CD2-CE1 3.44Å
687	L	88.5	Confident	88.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-66.3	-35	175.7	-170	61.8	0	0	0	111	K684 K685 A690 M691 F721 V871 S874 A879	K684-L687 HydrophobicContact CG-CB 4.5Å; K684-L687 WeakPolarHBondContact O-CB 3.47Å; K684-L687 PolarHBondContact O-N 3.5Å; K685-L687 VanDerWaalsContact C-N 3.32Å; K685-L687 PolarHBondContact O-N 2.81Å; L687-A690 PolarHBondContact O-N 3.48Å; L687-M691 HydrophobicContact CD1-CG 3.92Å; L687-M691 HydrophobicContact CG-CG 4.13Å; L687-M691 VanDerWaalsContact O-CB 3.22Å; L687-M691 WeakPolarHBondContact O-CB 3.27Å; L687-M691 WeakPolarHBondContact O-CG 3.43Å; L687-M691 PolarHBondContact O-N 3Å; L687-F721 HydrophobicContact CD1-CB 4.41Å; L687-F721 HydrophobicContact CD1-CD1 3.84Å; L687-F721 HydrophobicContact CD1-CG 4.43Å; L687-F721 HydrophobicContact CD2-CD1 4.26Å; L687-F721 HydrophobicContact CD2-CE1 4.4Å; L687-V871 HydrophobicContact CD2-CG1 4.08Å; L687-V871 HydrophobicContact CG-CG1 4.05Å; L687-S874 VanDerWaalsContact CD2-OG 3.25Å; L687-S874 WeakPolarHBondContact CD2-OG 3.29Å; L687-A879 HydrophobicContact CB-CB 4.12Å
688	L	90	Very high	88.5	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-38.4	174.3	-69.8	170.5	0	0	0	112.3	F673 E676 M680 K684 K685 L686 N692 L868 V871	F673-L688 HydrophobicContact CD1-CD2 3.91Å; F673-L688 HydrophobicContact CE1-CD2 4.3Å; E676-L688 HydrophobicContact CB-CD1 3.93Å; E676-L688 HydrophobicContact CB-CD2 4.49Å; M680-L688 HydrophobicContact SD-CD1 3.48Å; M680-L688 WeakPolarHBondContact SD-CD1 3.4Å; M680-L688 HydrophobicContact SD-CG 4.45Å; K684-L688 PolarHBondContact O-N 3.42Å; K685-L688 WeakPolarHBondContact O-CB 3.18Å; K685-L688 PolarHBondContact O-N 2.76Å; L686-L688 VanDerWaalsContact C-N 3.28Å; L686-L688 PolarHBondContact O-N 3.43Å; L688-N692 PolarHBondContact O-N 3.23Å; L688-L868 HydrophobicContact CD2-CD1 3.98Å; L688-V871 HydrophobicContact CD2-CG1 3.66Å; L688-V871 HydrophobicContact CG-CG1 4.24Å
689	T	89.9	Confident	88.7	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-70.1	-36.6	177.3	71.4	0	0	0	0	112.1	Y677 K685 L686 K695 S819 T822 E824	Y677-T689 HydrophobicContact CD2-CG2 3.58Å; Y677-T689 HydrophobicContact CE2-CG2 3.23Å; K685-T689 PolarHBondContact O-N 2.92Å; L686-T689 PolarHBondContact O-N 2.94Å; L686-T689 PolarHBondContact O-OG1 2.61Å; T689-K695 PolarHBondContact O-NZ 3.36Å; T689-K695 VanDerWaalsContact O-NZ 3.17Å; T689-S819 PolarHBondContact O-OG 3.44Å; T689-T822 HydrophobicContact CG2-CG2 3.72Å; T689-E824 WeakPolarHBondContact CB-OE1 3.5Å; T689-E824 PolarHBondContact OG1-OE1 2.97Å
690	A	90.2	Very high	88.9	Confident	3 Å²	3	29.6 Å²	29.6	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-37.3	176.6	0	0	0	0	0	112.2	L686 L687 N692 A722 Y726	L686-A690 PolarHBondContact O-N 3.06Å; L686-A690 VanDerWaalsContact O-N 3.07Å; L687-A690 PolarHBondContact O-N 3.48Å; A690-N692 VanDerWaalsContact C-N 3.33Å; A690-N692 PolarHBondContact O-N 3.46Å; A690-A722 HydrophobicContact CB-CB 4.38Å; A690-Y726 PolarHBondContact O-OH 3.22Å; A690-Y726 VanDerWaalsContact O-OH 3.11Å
691	M	92	Very high	89.4	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	17.9	-175.1	-63.2	-63.3	-60.9	0	0	114.2	F673 L687 P693 F721 A722 Y725 Y726 L867 V871	F673-M691 HydrophobicContact CE1-CB 4.26Å; F673-M691 VanDerWaalsContact CE1-O 3.3Å; F673-M691 WeakPolarHBondContact CE1-O 3.2Å; L687-M691 HydrophobicContact CD1-CG 3.92Å; L687-M691 HydrophobicContact CG-CG 4.13Å; L687-M691 VanDerWaalsContact O-CB 3.22Å; L687-M691 WeakPolarHBondContact O-CB 3.27Å; L687-M691 WeakPolarHBondContact O-CG 3.43Å; L687-M691 PolarHBondContact O-N 3Å; M691-P693 WeakPolarHBondContact O-CD 3.44Å; M691-F721 HydrophobicContact CE-CE1 4.2Å; M691-F721 HydrophobicContact SD-CD1 4.28Å; M691-F721 HydrophobicContact SD-CE1 4.39Å; M691-A722 HydrophobicContact SD-CB 3.67Å; M691-Y725 HydrophobicContact CE-CD1 3.52Å; M691-Y725 HydrophobicContact CE-CD2 4.21Å; M691-Y725 HydrophobicContact CE-CE1 4.06Å; M691-Y725 HydrophobicContact CE-CG 3.62Å; M691-Y726 HydrophobicContact SD-CE2 4.17Å; M691-L867 HydrophobicContact CE-CD1 3.4Å; M691-L867 VanDerWaalsContact CE-CD1 3.4Å; M691-L867 HydrophobicContact CE-CD2 4.36Å; M691-L867 HydrophobicContact CE-CG 4.26Å; M691-V871 HydrophobicContact CB-CG2 3.71Å; M691-V871 HydrophobicContact CE-CG2 4.31Å; M691-V871 HydrophobicContact CG-CG2 3.83Å
692	N	93.6	Very high	90.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.			trans	-57.6	123.3	176.3	174.6	2.9	0	0	0	111.1	P668 L688 A690 N694 K695 F696 S819	P668-N692 PolarHBondContact O-ND2 2.72Å; P668-N692 VanDerWaalsContact O-ND2 3.12Å; L688-N692 PolarHBondContact O-N 3.23Å; A690-N692 VanDerWaalsContact C-N 3.33Å; A690-N692 PolarHBondContact O-N 3.46Å; N692-N694 VanDerWaalsContact C-N 3.29Å; N692-N694 PolarHBondContact O-N 3.23Å; N692-N694 PolarHBondContact OD1-N 3.45Å; N692-K695 HydrophobicContact CB-CB 3.84Å; N692-K695 VanDerWaalsContact O-CB 3.31Å; N692-K695 WeakPolarHBondContact O-CB 3.38Å; N692-K695 PolarHBondContact O-N 2.78Å; N692-F696 PolarHBondContact O-N 3.18Å; N692-S819 PolarHBondContact ND2-OG 2.63Å
693	P	94.9	Very high	91	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.6	-38.1	178.8	-26.4	34	0	0	0	114.3	T670 F673 M691 K695 F696 R697 L858 Q864 L867	T670-P693 HydrophobicContact CG2-CB 4.2Å; T670-P693 HydrophobicContact CG2-CG 4.09Å; F673-P693 HydrophobicContact CD2-CG 4.03Å; F673-P693 HydrophobicContact CE2-CG 3.57Å; F673-P693 HydrophobicContact CZ-CG 4Å; M691-P693 WeakPolarHBondContact O-CD 3.44Å; P693-K695 VanDerWaalsContact C-N 3.33Å; P693-K695 PolarHBondContact O-N 2.9Å; P693-F696 WeakPolarHBondContact O-CB 3.34Å; P693-F696 PolarHBondContact O-N 3.33Å; P693-R697 VanDerWaalsContact O-CG 3.31Å; P693-R697 WeakPolarHBondContact O-CG 3.35Å; P693-R697 PolarHBondContact O-N 2.89Å; P693-L858 HydrophobicContact CB-CB 4.45Å; P693-L858 HydrophobicContact CB-CD1 4.31Å; P693-Q864 HydrophobicContact CB-CG 3.82Å; P693-Q864 HydrophobicContact CG-CB 4.19Å; P693-Q864 HydrophobicContact CG-CG 3.91Å; P693-L867 HydrophobicContact CG-CD2 4.42Å
694	N	93.7	Very high	91.9	Very high	41 Å²	41	14.8 Å²	14.8	22%	0.219	7%	0.067	C	C	.	.	H	α-helix	trans	-67.1	-37.7	178.2	-71.7	-32.2	0	0	0	111.4	P668 N692 F696 R697 V698	P668-N694 VanDerWaalsContact O-CB 3.27Å; P668-N694 WeakPolarHBondContact O-CB 3.26Å; P668-N694 PolarHBondContact O-ND2 3.36Å; N692-N694 VanDerWaalsContact C-N 3.29Å; N692-N694 PolarHBondContact O-N 3.23Å; N692-N694 PolarHBondContact OD1-N 3.45Å; N694-F696 VanDerWaalsContact C-N 3.34Å; N694-F696 PolarHBondContact O-N 2.79Å; N694-R697 PolarHBondContact O-N 3.08Å; N694-V698 WeakPolarHBondContact O-CG2 3.39Å; N694-V698 PolarHBondContact O-N 2.96Å
695	K	94.2	Very high	92.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-41.9	173.3	-173.2	179.9	-77.1	-170.5	0	111.5	C667 T689 N692 P693 V698 C699 I781 L817 S819 E824	C667-K695 HydrophobicContact CB-CB 4.11Å; T689-K695 PolarHBondContact O-NZ 3.36Å; T689-K695 VanDerWaalsContact O-NZ 3.17Å; N692-K695 HydrophobicContact CB-CB 3.84Å; N692-K695 VanDerWaalsContact O-CB 3.31Å; N692-K695 WeakPolarHBondContact O-CB 3.38Å; N692-K695 PolarHBondContact O-N 2.78Å; P693-K695 VanDerWaalsContact C-N 3.33Å; P693-K695 PolarHBondContact O-N 2.9Å; K695-V698 PolarHBondContact O-N 2.92Å; K695-C699 WeakPolarHBondContact O-CB 3.49Å; K695-C699 PolarHBondContact O-N 2.66Å; K695-I781 HydrophobicContact CD-CG2 3.96Å; K695-I781 WeakPolarHBondContact CD-O 3.17Å; K695-I781 PolarHBondContact NZ-O 2.94Å; K695-L817 HydrophobicContact CD-CB 4.16Å; K695-L817 WeakPolarHBondContact CE-O 3.37Å; K695-L817 HydrophobicContact CG-CB 3.85Å; K695-L817 HydrophobicContact CG-CD1 4.05Å; K695-L817 PolarHBondContact NZ-O 3.25Å; K695-S819 WeakPolarHBondContact CE-OG 3.37Å; K695-S819 PolarHBondContact NZ-OG 2.86Å; K695-E824 IonicContact NZ-OE1 3.99Å; K695-E824 PolarHBondContact NZ-OE1 2.84Å; K695-E824 IonicContact NZ-OE2 3.27Å; K695-E824 PolarHBondContact NZ-OE2 3.48Å
696	F	95.1	Very high	92.8	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-60.5	-46	173.4	-178	-76.6	0	0	0	112	N692 P693 N694 V698 C699 E700 Y725 Y726 K729 M730 K857 L858	N692-F696 PolarHBondContact O-N 3.18Å; P693-F696 WeakPolarHBondContact O-CB 3.34Å; P693-F696 PolarHBondContact O-N 3.33Å; N694-F696 VanDerWaalsContact C-N 3.34Å; N694-F696 PolarHBondContact O-N 2.79Å; F696-V698 PolarHBondContact O-N 3.04Å; F696-C699 WeakPolarHBondContact O-CB 3.23Å; F696-C699 PolarHBondContact O-N 2.94Å; F696-E700 HydrophobicContact CE1-CB 4.5Å; F696-E700 PolarHBondContact O-N 3.41Å; F696-Y725 HydrophobicContact CD2-CD1 4.36Å; F696-Y725 HydrophobicContact CD2-CE1 4.08Å; F696-Y725 HydrophobicContact CE2-CD1 4.27Å; F696-Y725 HydrophobicContact CE2-CE1 4Å; F696-Y726 HydrophobicContact CB-CE1 4.12Å; F696-Y726 AromaticContact CD2-CD1 3.85Å; F696-Y726 HydrophobicContact CD2-CD1 3.85Å; F696-Y726 HydrophobicContact CD2-CD2 4.04Å; F696-Y726 AromaticContact CD2-CE1 3.85Å; F696-Y726 HydrophobicContact CD2-CE1 3.85Å; F696-Y726 HydrophobicContact CD2-CE2 4.04Å; F696-Y726 AromaticContact CD2-CG 3.96Å; F696-Y726 HydrophobicContact CD2-CG 3.96Å; F696-Y726 AromaticContact CD2-CZ 3.94Å; F696-Y726 HydrophobicContact CE2-CD1 4.3Å; F696-Y726 HydrophobicContact CE2-CG 4.22Å; F696-Y726 HydrophobicContact CG-CE1 4.31Å; F696-Y726 PolarHBondContact N-OH 3.23Å; F696-K729 HydrophobicContact CE1-CG 4.38Å; F696-K729 HydrophobicContact CE2-CB 3.94Å; F696-K729 HydrophobicContact CE2-CG 3.99Å; F696-K729 HydrophobicContact CZ-CB 3.82Å; F696-K729 HydrophobicContact CZ-CG 3.51Å; F696-M730 HydrophobicContact CD1-CE 4.13Å; F696-M730 HydrophobicContact CD2-CE 3.95Å; F696-M730 HydrophobicContact CE1-CE 3.77Å; F696-M730 HydrophobicContact CE1-CG 4.49Å; F696-M730 HydrophobicContact CE2-CE 3.65Å; F696-M730 HydrophobicContact CE2-CG 4.29Å; F696-M730 HydrophobicContact CG-CE 4.19Å; F696-M730 HydrophobicContact CZ-CE 3.52Å; F696-M730 HydrophobicContact CZ-CG 3.75Å; F696-K857 HydrophobicContact CE1-CB 3.95Å; F696-L858 HydrophobicContact CB-CD1 3.8Å; F696-L858 HydrophobicContact CD1-CD1 3.7Å; F696-L858 HydrophobicContact CD1-CG 4.16Å; F696-L858 HydrophobicContact CD2-CD1 4.2Å; F696-L858 HydrophobicContact CE1-CD1 4.41Å; F696-L858 HydrophobicContact CG-CD1 3.62Å
697	R	93.7	Very high	93.1	Very high	41 Å²	41	15.4 Å²	15.4	16%	0.155	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-44.1	179.5	-68.3	171.1	64.4	71.3	0.9	111.7	P693 N694 E700 Y701 M851 L856 K857	P693-R697 VanDerWaalsContact O-CG 3.31Å; P693-R697 WeakPolarHBondContact O-CG 3.35Å; P693-R697 PolarHBondContact O-N 2.89Å; N694-R697 PolarHBondContact O-N 3.08Å; R697-E700 PolarHBondContact O-N 3.09Å; R697-Y701 WeakPolarHBondContact O-CB 3.28Å; R697-Y701 PolarHBondContact O-N 3.19Å; R697-M851 HydrophobicContact CB-CE 3.36Å; R697-M851 HydrophobicContact CG-CE 4.49Å; R697-L856 HydrophobicContact CB-CD1 4.18Å; R697-L856 PolarHBondContact NH1-O 3Å; R697-K857 WeakPolarHBondContact CG-O 3.25Å; R697-K857 PolarHBondContact NH1-O 2.92Å
698	V	94.7	Very high	93.2	Very high	9 Å²	9	22.6 Å²	22.6	6%	0.055	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-46.2	174.6	166	0	0	0	0	110.9	V665 N694 K695 F696 E700 Y701 L702 L817 L848 M851	V665-V698 HydrophobicContact CB-CG1 4.34Å; V665-V698 HydrophobicContact CG1-CG1 3.7Å; N694-V698 WeakPolarHBondContact O-CG2 3.39Å; N694-V698 PolarHBondContact O-N 2.96Å; K695-V698 PolarHBondContact O-N 2.92Å; F696-V698 PolarHBondContact O-N 3.04Å; V698-E700 PolarHBondContact O-N 2.9Å; V698-Y701 PolarHBondContact O-N 3.13Å; V698-L702 HydrophobicContact CG1-CD1 4.09Å; V698-L702 HydrophobicContact CG1-CG 4.5Å; V698-L702 WeakPolarHBondContact O-CG 3.47Å; V698-L702 PolarHBondContact O-N 3.48Å; V698-L817 HydrophobicContact CG1-CD1 4.41Å; V698-L817 HydrophobicContact CG1-CD2 3.59Å; V698-L848 HydrophobicContact CB-CD1 4.41Å; V698-L848 HydrophobicContact CG1-CD1 3.75Å; V698-L848 HydrophobicContact CG2-CD1 4.24Å; V698-M851 HydrophobicContact CG2-CE 3.98Å; V698-M851 HydrophobicContact CG2-SD 4.12Å
699	C	95.3	Very high	93.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-45.6	176.8	-174	0	0	0	0	111.9	K695 F696 Y701 L702 I703 Y726 M730 L817	K695-C699 WeakPolarHBondContact O-CB 3.49Å; K695-C699 PolarHBondContact O-N 2.66Å; F696-C699 WeakPolarHBondContact O-CB 3.23Å; F696-C699 PolarHBondContact O-N 2.94Å; C699-Y701 PolarHBondContact O-N 2.88Å; C699-L702 PolarHBondContact O-N 2.97Å; C699-I703 WeakPolarHBondContact O-CD1 3.35Å; C699-I703 VanDerWaalsContact O-CG1 3.27Å; C699-I703 WeakPolarHBondContact O-CG1 3.36Å; C699-I703 PolarHBondContact O-N 2.93Å; C699-I703 VanDerWaalsContact O-N 3.09Å; C699-Y726 HydrophobicContact CB-CD1 4.35Å; C699-Y726 HydrophobicContact CB-CE1 3.98Å; C699-M730 HydrophobicContact CB-CE 4.03Å; C699-L817 HydrophobicContact CB-CD1 3.75Å
700	E	94.8	Very high	93.1	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.047	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-42.6	177.7	-174.4	172.6	-153.7	0	0	111.7	F696 R697 V698 I703 R704 M730 L856 K857	F696-E700 HydrophobicContact CE1-CB 4.5Å; F696-E700 PolarHBondContact O-N 3.41Å; R697-E700 PolarHBondContact O-N 3.09Å; V698-E700 PolarHBondContact O-N 2.9Å; E700-I703 PolarHBondContact O-N 2.99Å; E700-R704 WeakPolarHBondContact O-CG 3.17Å; E700-R704 PolarHBondContact O-N 3.38Å; E700-R704 VanDerWaalsContact O-N 3.08Å; E700-R704 IonicContact OE1-CZ 3.66Å; E700-R704 IonicContact OE1-NE 2.88Å; E700-R704 IonicContact OE1-NH2 3.97Å; E700-R704 PolarHBondContact OE1-NH2 3.32Å; E700-M730 HydrophobicContact CB-CE 3.87Å; E700-M730 HydrophobicContact CB-SD 4.43Å; E700-L856 HydrophobicContact CB-CD2 4.18Å; E700-L856 HydrophobicContact CG-CD2 3.98Å; E700-L856 WeakPolarHBondContact OE2-CA 3.49Å; E700-K857 IonicContact OE1-NZ 2.77Å; E700-K857 PolarHBondContact OE2-N 3.21Å
701	Y	95.1	Very high	93	Very high	18 Å²	18	32.4 Å²	32.4	7%	0.071	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-48.5	177.2	174.5	-89.6	0	0	0	111.8	R697 V698 C699 I703 R704 Y705 L848 A849 G850 M851 E854	R697-Y701 WeakPolarHBondContact O-CB 3.28Å; R697-Y701 PolarHBondContact O-N 3.19Å; V698-Y701 PolarHBondContact O-N 3.13Å; C699-Y701 PolarHBondContact O-N 2.88Å; Y701-I703 VanDerWaalsContact C-N 3.32Å; Y701-I703 PolarHBondContact O-N 3.43Å; Y701-R704 PolarHBondContact O-N 3.5Å; Y701-Y705 VanDerWaalsContact O-CB 3.29Å; Y701-Y705 WeakPolarHBondContact O-CB 3.31Å; Y701-Y705 PolarHBondContact O-N 3.06Å; Y701-L848 HydrophobicContact CD1-CB 4.29Å; Y701-L848 HydrophobicContact CD1-CD1 3.8Å; Y701-L848 HydrophobicContact CE1-CB 4.07Å; Y701-L848 HydrophobicContact CE1-CD1 4.23Å; Y701-A849 PolarHBondContact OH-O 3.42Å; Y701-G850 WeakPolarHBondContact CE2-O 3.47Å; Y701-M851 HydrophobicContact CD2-CB 4.23Å; Y701-M851 HydrophobicContact CD2-CG 4.39Å; Y701-M851 HydrophobicContact CE2-CB 4.44Å; Y701-M851 HydrophobicContact CG-CG 4.46Å; Y701-E854 HydrophobicContact CD2-CG 4.28Å; Y701-E854 HydrophobicContact CE2-CG 4.29Å
702	L	94.9	Very high	92.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-39.2	180	-71.6	175	0	0	0	112	V698 C699 Y705 H706 I779 Y815 L817 L848	V698-L702 HydrophobicContact CG1-CD1 4.09Å; V698-L702 HydrophobicContact CG1-CG 4.5Å; V698-L702 WeakPolarHBondContact O-CG 3.47Å; V698-L702 PolarHBondContact O-N 3.48Å; C699-L702 PolarHBondContact O-N 2.97Å; L702-Y705 PolarHBondContact O-N 3.26Å; L702-H706 PolarHBondContact O-CD2 3.24Å; L702-H706 PolarHBondContact O-N 3.44Å; L702-I779 HydrophobicContact CB-CD1 3.8Å; L702-I779 HydrophobicContact CD1-CD1 4.42Å; L702-Y815 HydrophobicContact CD1-CD1 4.12Å; L702-Y815 HydrophobicContact CD1-CD2 4.24Å; L702-Y815 HydrophobicContact CD1-CG 3.88Å; L702-Y815 HydrophobicContact CD2-CD1 4.3Å; L702-Y815 HydrophobicContact CD2-CE1 4.05Å; L702-Y815 HydrophobicContact CD2-CE2 4.33Å; L702-L817 HydrophobicContact CD1-CD2 3.94Å; L702-L848 HydrophobicContact CD2-CD1 4.25Å; L702-L848 HydrophobicContact CD2-CD2 4.38Å; L702-L848 HydrophobicContact CG-CD1 4.34Å
703	I	94.4	Very high	93	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-53.7	174.7	-69.5	164.8	0	0	0	110.1	C699 E700 Y701 Y705 H706 E707 I713 I715 M730 A759 F761 I779	C699-I703 WeakPolarHBondContact O-CD1 3.35Å; C699-I703 VanDerWaalsContact O-CG1 3.27Å; C699-I703 WeakPolarHBondContact O-CG1 3.36Å; C699-I703 PolarHBondContact O-N 2.93Å; C699-I703 VanDerWaalsContact O-N 3.09Å; E700-I703 PolarHBondContact O-N 2.99Å; Y701-I703 VanDerWaalsContact C-N 3.32Å; Y701-I703 PolarHBondContact O-N 3.43Å; I703-Y705 VanDerWaalsContact C-N 3.28Å; I703-Y705 PolarHBondContact O-N 3.23Å; I703-H706 PolarHBondContact O-N 2.89Å; I703-E707 HydrophobicContact CG2-CG 4.26Å; I703-E707 WeakPolarHBondContact CG2-OE1 3.32Å; I703-E707 WeakPolarHBondContact O-CB 3.46Å; I703-E707 VanDerWaalsContact O-CG 3.25Å; I703-E707 WeakPolarHBondContact O-CG 3.48Å; I703-E707 PolarHBondContact O-N 3.36Å; I703-I713 HydrophobicContact CG2-CD1 4.38Å; I703-I713 WeakPolarHBondContact O-CD1 3.48Å; I703-I715 HydrophobicContact CD1-CD1 3.96Å; I703-I715 HydrophobicContact CD1-CG1 4.05Å; I703-I715 HydrophobicContact CG1-CD1 4.15Å; I703-I715 HydrophobicContact CG1-CG1 4.28Å; I703-M730 HydrophobicContact CD1-SD 3.48Å; I703-M730 WeakPolarHBondContact CD1-SD 3.48Å; I703-A759 HydrophobicContact CG2-CB 4.3Å; I703-F761 HydrophobicContact CD1-CZ 4.18Å; I703-I779 HydrophobicContact CG1-CD1 4.19Å
704	R	93.6	Very high	92.9	Very high	63 Å²	63	34.5 Å²	34.5	24%	0.238	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-34.6	179.3	-66.9	-175.2	-170.7	-176	9	112.8	E700 Y701 R708 E854 S855	E700-R704 WeakPolarHBondContact O-CG 3.17Å; E700-R704 PolarHBondContact O-N 3.38Å; E700-R704 VanDerWaalsContact O-N 3.08Å; E700-R704 IonicContact OE1-CZ 3.66Å; E700-R704 IonicContact OE1-NE 2.88Å; E700-R704 IonicContact OE1-NH2 3.97Å; E700-R704 PolarHBondContact OE1-NH2 3.32Å; Y701-R704 PolarHBondContact O-N 3.5Å; R704-R708 WeakPolarHBondContact O-CG 3.34Å; R704-R708 PolarHBondContact O-N 2.91Å; R704-R708 PolarHBondContact O-NE 2.93Å; R704-E854 IonicContact NH1-OE2 3.85Å; R704-S855 VanDerWaalsContact CZ-O 3.31Å; R704-S855 PolarHBondContact NH1-O 3.26Å; R704-S855 PolarHBondContact NH2-O 2.99Å
705	Y	93.2	Very high	92.9	Very high	68 Å²	68	32.5 Å²	32.5	27%	0.267	14%	0.137	S	C	.	.	H	α-helix	trans	-64.7	-40.7	177.6	176.9	-96.9	0	0	0	112.7	Y701 L702 I703 R709	Y701-Y705 VanDerWaalsContact O-CB 3.29Å; Y701-Y705 WeakPolarHBondContact O-CB 3.31Å; Y701-Y705 PolarHBondContact O-N 3.06Å; L702-Y705 PolarHBondContact O-N 3.26Å; I703-Y705 VanDerWaalsContact C-N 3.28Å; I703-Y705 PolarHBondContact O-N 3.23Å; Y705-R709 VanDerWaalsContact CD2-NH1 3.28Å; Y705-R709 VanDerWaalsContact CE1-CZ 3.45Å; Y705-R709 PolarHBondContact O-NH1 3.07Å; Y705-R709 VanDerWaalsContact OH-CZ 3.28Å; Y705-R709 PolarHBondContact OH-NH2 3.29Å
706	H	92.2	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-84.9	-26.2	178.7	-80.8	-69.6	0	0	0	113.5	L702 I703 R708 R709 N710 D711 I713 V777 F813 Y815	L702-H706 PolarHBondContact O-CD2 3.24Å; L702-H706 PolarHBondContact O-N 3.44Å; I703-H706 PolarHBondContact O-N 2.89Å; H706-R708 VanDerWaalsContact C-N 3.28Å; H706-R708 PolarHBondContact O-N 3.44Å; H706-R709 CarbonylContact O-C 3.56Å; H706-R709 WeakPolarHBondContact O-CA 3.2Å; H706-R709 WeakPolarHBondContact O-CB 3.37Å; H706-R709 PolarHBondContact O-N 3Å; H706-N710 PolarHBondContact O-N 3.42Å; H706-D711 HydrophobicContact CB-CB 4.19Å; H706-D711 IonicContact CE1-OD2 2.77Å; H706-D711 IonicContact CG-OD2 2.64Å; H706-D711 IonicContact ND1-OD2 3.94Å; H706-D711 PolarHBondContact ND1-OD2 2.99Å; H706-D711 PolarHBondContact O-N 3Å; H706-D711 VanDerWaalsContact O-N 3.1Å; H706-I713 HydrophobicContact CB-CD1 3.52Å; H706-I713 HydrophobicContact CB-CG1 3.95Å; H706-V777 HydrophobicContact CB-CG2 4.17Å; H706-V777 WeakPolarHBondContact ND1-CG2 3.4Å; H706-F813 AromaticContact CE1-CD2 3.63Å; H706-F813 AromaticContact CE1-CG 3.97Å; H706-Y815 AromaticContact CD2-CE2 3.9Å; H706-Y815 AromaticContact NE2-CE2 3.27Å; H706-Y815 VanDerWaalsContact NE2-CE2 3.27Å; H706-Y815 WeakPolarHBondContact NE2-CE2 3.47Å; H706-Y815 AromaticContact NE2-CZ 3.55Å; H706-Y815 PolarHBondContact NE2-OH 3.41Å
707	E	91.5	Very high	92.5	Very high	50 Å²	50	32.5 Å²	32.5	23%	0.234	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-38.5	169.4	-76.7	178.2	177.2	0	0	111.7	I703 R709 N710 I713 R732 P758	I703-E707 HydrophobicContact CG2-CG 4.26Å; I703-E707 WeakPolarHBondContact CG2-OE1 3.32Å; I703-E707 WeakPolarHBondContact O-CB 3.46Å; I703-E707 VanDerWaalsContact O-CG 3.25Å; I703-E707 WeakPolarHBondContact O-CG 3.48Å; I703-E707 PolarHBondContact O-N 3.36Å; E707-R709 PolarHBondContact O-N 3.22Å; E707-N710 PolarHBondContact O-N 3.06Å; E707-I713 HydrophobicContact CG-CD1 4.02Å; E707-R732 IonicContact OE1-CZ 2.86Å; E707-R732 IonicContact OE1-NE 3.6Å; E707-R732 PolarHBondContact OE1-NE 3.41Å; E707-R732 IonicContact OE1-NH1 3.66Å; E707-R732 IonicContact OE1-NH2 3.92Å; E707-R732 PolarHBondContact OE1-NH2 3.28Å; E707-R732 IonicContact OE2-CZ 3.17Å; E707-R732 IonicContact OE2-NH2 3.08Å; E707-R732 PolarHBondContact OE2-NH2 3.39Å; E707-P758 HydrophobicContact CG-CB 4.25Å; E707-P758 HydrophobicContact CG-CG 3.67Å
708	R	90.9	Very high	92.1	Very high	152 Å²	152	31.1 Å²	31.1	57%	0.574	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.2	172.7	-74.3	-178.5	-75	164.8	-10.5	113.6	R704 H706 N710 E854	R704-R708 WeakPolarHBondContact O-CG 3.34Å; R704-R708 PolarHBondContact O-N 2.91Å; R704-R708 PolarHBondContact O-NE 2.93Å; H706-R708 VanDerWaalsContact C-N 3.28Å; H706-R708 PolarHBondContact O-N 3.44Å; R708-N710 VanDerWaalsContact C-N 3.33Å; R708-E854 IonicContact CZ-OE1 2.79Å; R708-E854 IonicContact NH2-OE1 3.77Å
709	R	88.5	Confident	91.8	Very high	105 Å²	105	31.2 Å²	31.2	40%	0.396	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-1.8	175.2	-70.5	176.5	171.4	68.7	5	113.2	Y705 H706 E707 D711 K802	Y705-R709 VanDerWaalsContact CD2-NH1 3.28Å; Y705-R709 VanDerWaalsContact CE1-CZ 3.45Å; Y705-R709 PolarHBondContact O-NH1 3.07Å; Y705-R709 VanDerWaalsContact OH-CZ 3.28Å; Y705-R709 PolarHBondContact OH-NH2 3.29Å; H706-R709 CarbonylContact O-C 3.56Å; H706-R709 WeakPolarHBondContact O-CA 3.2Å; H706-R709 WeakPolarHBondContact O-CB 3.37Å; H706-R709 PolarHBondContact O-N 3Å; E707-R709 PolarHBondContact O-N 3.22Å; R709-D711 VanDerWaalsContact CB-OD2 3.31Å; R709-D711 WeakPolarHBondContact CB-OD2 3.43Å; R709-D711 PolarHBondContact O-N 3.43Å; R709-K802 PolarHBondContact O-NZ 3.47Å
710	N	87.8	Confident	91.4	Very high	110 Å²	110	32.6 Å²	32.6	59%	0.588	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.1	-174.4	-159.9	35.2	0	0	0	111.7	H706 E707 R708	H706-N710 PolarHBondContact O-N 3.42Å; E707-N710 PolarHBondContact O-N 3.06Å; R708-N710 VanDerWaalsContact C-N 3.33Å
711	D	88.8	Confident	91.2	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	15%	0.146	C	C	.	.			trans	-89.3	150.9	175.8	-64	-29.7	0	0	0	110.7	H706 R709 V777 K802	H706-D711 HydrophobicContact CB-CB 4.19Å; H706-D711 IonicContact CE1-OD2 2.77Å; H706-D711 IonicContact CG-OD2 2.64Å; H706-D711 IonicContact ND1-OD2 3.94Å; H706-D711 PolarHBondContact ND1-OD2 2.99Å; H706-D711 PolarHBondContact O-N 3Å; H706-D711 VanDerWaalsContact O-N 3.1Å; R709-D711 VanDerWaalsContact CB-OD2 3.31Å; R709-D711 WeakPolarHBondContact CB-OD2 3.43Å; R709-D711 PolarHBondContact O-N 3.43Å; D711-V777 HydrophobicContact CB-CG2 3.91Å; D711-K802 IonicContact OD1-NZ 3.89Å; D711-K802 PolarHBondContact OD1-NZ 2.9Å
712	K	90.8	Very high	91.1	Very high	44 Å²	44	33 Å²	33	19%	0.191	14%	0.143	C	C	.	.			trans	-87.4	125.7	172.3	-66.9	-66	-177.3	174.4	0	109.6	F751 N754 A775 T776 V777	K712-F751 HydrophobicContact CB-CE1 4.26Å; K712-F751 HydrophobicContact CB-CE2 4.32Å; K712-F751 HydrophobicContact CB-CZ 3.74Å; K712-F751 HydrophobicContact CD-CE2 4.25Å; K712-F751 HydrophobicContact CD-CZ 4.26Å; K712-F751 WeakPolarHBondContact CE-O 3.37Å; K712-F751 HydrophobicContact CG-CZ 4.46Å; K712-F751 PolarHBondContact NZ-O 3.29Å; K712-N754 PolarHBondContact NZ-O 3.23Å; K712-A775 HydrophobicContact CB-CB 4.45Å; K712-T776 PolarHBondContact O-N 3.32Å; K712-V777 PolarHBondContact O-N 3.37Å
713	I	94.1	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.8	-167.6	-48.6	169.2	0	0	0	109.7	I703 H706 E707 I715 F751 P758 A759 I760 V777 I779	I703-I713 HydrophobicContact CG2-CD1 4.38Å; I703-I713 WeakPolarHBondContact O-CD1 3.48Å; H706-I713 HydrophobicContact CB-CD1 3.52Å; H706-I713 HydrophobicContact CB-CG1 3.95Å; E707-I713 HydrophobicContact CG-CD1 4.02Å; I713-I715 HydrophobicContact CG2-CD1 3.82Å; I713-I715 HydrophobicContact CG2-CG1 4.22Å; I713-F751 WeakPolarHBondContact O-CE2 2.95Å; I713-P758 PolarHBondContact N-O 3.48Å; I713-A759 HydrophobicContact CB-CB 4.12Å; I713-A759 VanDerWaalsContact O-CA 3.3Å; I713-A759 WeakPolarHBondContact O-CA 3.37Å; I713-I760 PolarHBondContact O-N 2.91Å; I713-I760 VanDerWaalsContact O-N 3.1Å; I713-V777 WeakPolarHBondContact CA-O 3.38Å; I713-V777 HydrophobicContact CG1-CB 4.25Å; I713-V777 HydrophobicContact CG2-CB 4.35Å; I713-V777 HydrophobicContact CG2-CG1 4.25Å; I713-I779 HydrophobicContact CG2-CD1 3.99Å; I713-I779 HydrophobicContact CG2-CG1 4.43Å
714	I	93	Very high	90.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.9	170	-65	-175.1	0	0	0	108.3	F751 I760 V762 A775 V777 L778 I779 I798	I714-F751 HydrophobicContact CD1-CE1 4.31Å; I714-F751 HydrophobicContact CD1-CZ 4.28Å; I714-F751 HydrophobicContact CG1-CE1 4.28Å; I714-F751 HydrophobicContact CG1-CE2 4.45Å; I714-F751 HydrophobicContact CG1-CZ 3.75Å; I714-I760 HydrophobicContact CD1-CD1 4.34Å; I714-I760 HydrophobicContact CG1-CD1 4.18Å; I714-I760 HydrophobicContact CG1-CG1 3.95Å; I714-V762 HydrophobicContact CG2-CG2 4.03Å; I714-A775 HydrophobicContact CB-CB 4.43Å; I714-A775 HydrophobicContact CD1-CB 3.7Å; I714-A775 HydrophobicContact CG1-CB 3.69Å; I714-V777 PolarHBondContact N-O 2.78Å; I714-L778 HydrophobicContact CB-CD1 4.25Å; I714-L778 HydrophobicContact CG2-CD1 4.04Å; I714-L778 WeakPolarHBondContact O-CA 3.47Å; I714-I779 PolarHBondContact O-N 3.43Å; I714-I798 HydrophobicContact CD1-CG2 3.86Å; I714-I798 HydrophobicContact CG2-CD1 4.46Å
715	I	94.1	Very high	90.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.4	175.6	-54	90.7	0	0	0	108.5	I703 I713 A759 I760 F761 V762 I779 I781	I703-I715 HydrophobicContact CD1-CD1 3.96Å; I703-I715 HydrophobicContact CD1-CG1 4.05Å; I703-I715 HydrophobicContact CG1-CD1 4.15Å; I703-I715 HydrophobicContact CG1-CG1 4.28Å; I713-I715 HydrophobicContact CG2-CD1 3.82Å; I713-I715 HydrophobicContact CG2-CG1 4.22Å; I715-A759 HydrophobicContact CD1-CB 4.09Å; I715-I760 WeakPolarHBondContact CD1-O 3.46Å; I715-I760 PolarHBondContact N-O 3.07Å; I715-F761 HydrophobicContact CB-CD1 3.71Å; I715-F761 HydrophobicContact CB-CE1 3.69Å; I715-F761 HydrophobicContact CB-CG 4.18Å; I715-F761 HydrophobicContact CB-CZ 4.14Å; I715-F761 HydrophobicContact CD1-CD2 4.32Å; I715-F761 HydrophobicContact CD1-CE2 4.07Å; I715-F761 HydrophobicContact CD1-CZ 4.22Å; I715-F761 HydrophobicContact CG1-CE1 4.21Å; I715-F761 HydrophobicContact CG1-CZ 4.17Å; I715-F761 HydrophobicContact CG2-CD1 3.69Å; I715-F761 HydrophobicContact CG2-CE1 3.4Å; I715-F761 VanDerWaalsContact CG2-CE1 3.4Å; I715-F761 HydrophobicContact CG2-CZ 4.15Å; I715-F761 CarbonylContact O-C 3.56Å; I715-F761 WeakPolarHBondContact O-CA 3.47Å; I715-V762 PolarHBondContact O-N 2.92Å; I715-I779 CarbonylContact C-O 3.59Å; I715-I779 WeakPolarHBondContact CA-O 3.45Å; I715-I779 HydrophobicContact CG1-CB 4.29Å; I715-I779 HydrophobicContact CG1-CD1 4.35Å; I715-I779 HydrophobicContact CG2-CB 4.38Å; I715-I779 HydrophobicContact CG2-CG2 4.48Å; I715-I781 HydrophobicContact CG2-CD1 3.49Å; I715-I781 VanDerWaalsContact CG2-CD1 3.49Å; I715-I781 HydrophobicContact CG2-CG1 3.85Å
716	F	91.5	Very high	91	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.5	-176.2	-177.8	-84.3	0	0	0	111.4	D718 V762 S763 A766 L778 I779 Q780 I781 R794	F716-D718 HydrophobicContact CE1-CB 4.46Å; F716-D718 WeakPolarHBondContact CE1-OD1 3.33Å; F716-D718 WeakPolarHBondContact CZ-OD1 3.34Å; F716-V762 WeakPolarHBondContact CA-O 3.42Å; F716-S763 VanDerWaalsContact CE2-C 3.44Å; F716-S763 VanDerWaalsContact CE2-O 3.24Å; F716-S763 WeakPolarHBondContact CE2-O 3.44Å; F716-A766 HydrophobicContact CD2-CB 4.14Å; F716-A766 HydrophobicContact CE2-CB 4.04Å; F716-L778 HydrophobicContact CB-CD1 4.29Å; F716-I779 PolarHBondContact N-O 2.87Å; F716-Q780 HydrophobicContact CD1-CG 4.21Å; F716-I781 PolarHBondContact O-N 3.48Å; F716-R794 VanDerWaalsContact CZ-NH1 3.29Å
717	S	90.2	Very high	91.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.139	C	C	.	.			trans	-145.9	121.7	174	177.7	0	0	0	0	110.2	N719 V762 S763	S717-N719 VanDerWaalsContact C-N 3.27Å; S717-N719 PolarHBondContact O-N 3.45Å; S717-N719 PolarHBondContact OG-O 3.24Å; S717-V762 PolarHBondContact N-O 3.02Å; S717-V762 VanDerWaalsContact N-O 3.16Å; S717-S763 WeakPolarHBondContact O-CA 3.43Å
718	D	85	Confident	91.2	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.064	15%	0.152	C	C	.	.	S	Bend	trans	-64.2	-34.6	175.3	-64.1	-54	0	0	0	111.7	F716 S782 R794 E881	F716-D718 HydrophobicContact CE1-CB 4.46Å; F716-D718 WeakPolarHBondContact CE1-OD1 3.33Å; F716-D718 WeakPolarHBondContact CZ-OD1 3.34Å; D718-S782 PolarHBondContact N-OG 3.21Å; D718-R794 IonicContact OD1-NH2 3.27Å; D718-E881 HydrophobicContact CB-CG 4.44Å
719	N	87.3	Confident	91.3	Very high	12 Å²	12	29 Å²	29	6%	0.064	14%	0.139	C	C	.	.			trans	-85.1	122.5	179.4	-176	-73.2	0	0	0	111.1	S717 F721 A722 L723 D878 A879	S717-N719 VanDerWaalsContact C-N 3.27Å; S717-N719 PolarHBondContact O-N 3.45Å; S717-N719 PolarHBondContact OG-O 3.24Å; N719-F721 WeakPolarHBondContact OD1-CA 3.06Å; N719-F721 VanDerWaalsContact OD1-CB 3.25Å; N719-F721 WeakPolarHBondContact OD1-CB 3.28Å; N719-F721 PolarHBondContact OD1-N 3.34Å; N719-A722 HydrophobicContact CB-CB 4.21Å; N719-A722 PolarHBondContact OD1-N 2.99Å; N719-L723 WeakPolarHBondContact O-CB 3.41Å; N719-L723 PolarHBondContact O-N 3.28Å; N719-D878 PolarHBondContact ND2-O 3.07Å; N719-A879 PolarHBondContact ND2-O 2.91Å
720	V	88.8	Confident	91.5	Very high	28 Å²	28	25 Å²	25	17%	0.17	13%	0.125	C	C	.	.	H	α-helix	trans	-71.5	-33	-177.5	177.9	0	0	0	0	112.2	L723 K724 Y736 E882	V720-L723 PolarHBondContact O-N 2.95Å; V720-K724 HydrophobicContact CG1-CD 4.09Å; V720-K724 HydrophobicContact CG1-CG 4.37Å; V720-K724 WeakPolarHBondContact O-CB 3.35Å; V720-K724 WeakPolarHBondContact O-CG 3.18Å; V720-K724 PolarHBondContact O-N 3.35Å; V720-Y736 HydrophobicContact CG1-CD2 3.87Å; V720-Y736 HydrophobicContact CG1-CG 4.42Å; V720-E882 HydrophobicContact CG2-CB 3.95Å; V720-E882 HydrophobicContact CG2-CG 4.39Å
721	F	90.6	Very high	91.7	Very high	36 Å²	36	21.3 Å²	21.3	16%	0.158	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-49	177	179.7	-82.3	0	0	0	110.8	L687 M691 N719 K724 Y725 R870 D878	L687-F721 HydrophobicContact CD1-CB 4.41Å; L687-F721 HydrophobicContact CD1-CD1 3.84Å; L687-F721 HydrophobicContact CD1-CG 4.43Å; L687-F721 HydrophobicContact CD2-CD1 4.26Å; L687-F721 HydrophobicContact CD2-CE1 4.4Å; M691-F721 HydrophobicContact CE-CE1 4.2Å; M691-F721 HydrophobicContact SD-CD1 4.28Å; M691-F721 HydrophobicContact SD-CE1 4.39Å; N719-F721 WeakPolarHBondContact OD1-CA 3.06Å; N719-F721 VanDerWaalsContact OD1-CB 3.25Å; N719-F721 WeakPolarHBondContact OD1-CB 3.28Å; N719-F721 PolarHBondContact OD1-N 3.34Å; F721-K724 PolarHBondContact O-N 3.13Å; F721-Y725 PolarHBondContact O-N 2.85Å; F721-R870 HydrophobicContact CZ-CG 4.23Å; F721-D878 HydrophobicContact CB-CB 4.3Å; F721-D878 HydrophobicContact CD2-CB 3.97Å; F721-D878 HydrophobicContact CG-CB 4.36Å
722	A	91.5	Very high	91.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-47.5	174.9	0	0	0	0	0	111	A690 M691 N719 K724 Y725 Y726	A690-A722 HydrophobicContact CB-CB 4.38Å; M691-A722 HydrophobicContact SD-CB 3.67Å; N719-A722 HydrophobicContact CB-CB 4.21Å; N719-A722 PolarHBondContact OD1-N 2.99Å; A722-K724 PolarHBondContact O-N 3.43Å; A722-Y725 PolarHBondContact O-N 2.98Å; A722-Y726 WeakPolarHBondContact O-CB 3.37Å; A722-Y726 WeakPolarHBondContact O-CD2 2.98Å; A722-Y726 PolarHBondContact O-N 2.67Å
723	L	92.6	Very high	92	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-52.4	-51.3	176.9	-171.6	87.3	0	0	0	112.1	N719 V720 Y725 Y726 A727 F734 F761 V762	N719-L723 WeakPolarHBondContact O-CB 3.41Å; N719-L723 PolarHBondContact O-N 3.28Å; V720-L723 PolarHBondContact O-N 2.95Å; L723-Y725 PolarHBondContact O-N 3.28Å; L723-Y726 PolarHBondContact O-N 3.09Å; L723-A727 VanDerWaalsContact O-CB 3.26Å; L723-A727 WeakPolarHBondContact O-CB 3.07Å; L723-A727 PolarHBondContact O-N 3.29Å; L723-F734 HydrophobicContact CD2-CB 4.35Å; L723-F734 HydrophobicContact CD2-CD2 4.45Å; L723-F761 HydrophobicContact CD1-CB 3.79Å; L723-F761 HydrophobicContact CD1-CD1 4.09Å; L723-F761 HydrophobicContact CD1-CG 4.45Å; L723-F761 HydrophobicContact CG-CB 4.21Å; L723-V762 WeakPolarHBondContact CD1-O 2.85Å
724	K	92.9	Very high	92	Very high	79 Å²	79	25.3 Å²	25.3	34%	0.343	13%	0.131	S	C	.	.	H	α-helix	trans	-62.9	-42.4	-179.6	-76.7	175.6	178.9	175.9	0	111.8	V720 F721 A722 T728 F734 Y736	V720-K724 HydrophobicContact CG1-CD 4.09Å; V720-K724 HydrophobicContact CG1-CG 4.37Å; V720-K724 WeakPolarHBondContact O-CB 3.35Å; V720-K724 WeakPolarHBondContact O-CG 3.18Å; V720-K724 PolarHBondContact O-N 3.35Å; F721-K724 PolarHBondContact O-N 3.13Å; A722-K724 PolarHBondContact O-N 3.43Å; K724-T728 VanDerWaalsContact O-CB 3.27Å; K724-T728 WeakPolarHBondContact O-CB 3.19Å; K724-T728 PolarHBondContact O-N 3.17Å; K724-T728 PolarHBondContact O-OG1 2.71Å; K724-F734 HydrophobicContact CG-CD2 4.34Å; K724-F734 HydrophobicContact CG-CE2 3.87Å; K724-F734 HydrophobicContact CG-CZ 4.38Å; K724-Y736 VanDerWaalsContact CE-CE2 3.47Å
725	Y	93.6	Very high	91.9	Very high	26 Å²	26	25.3 Å²	25.3	10%	0.102	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-49.9	178.5	-177.8	-91.1	0	0	0	111.4	M691 F696 F721 A722 L723 T728 K729 L867	M691-Y725 HydrophobicContact CE-CD1 3.52Å; M691-Y725 HydrophobicContact CE-CD2 4.21Å; M691-Y725 HydrophobicContact CE-CE1 4.06Å; M691-Y725 HydrophobicContact CE-CG 3.62Å; F696-Y725 HydrophobicContact CD2-CD1 4.36Å; F696-Y725 HydrophobicContact CD2-CE1 4.08Å; F696-Y725 HydrophobicContact CE2-CD1 4.27Å; F696-Y725 HydrophobicContact CE2-CE1 4Å; F721-Y725 PolarHBondContact O-N 2.85Å; A722-Y725 PolarHBondContact O-N 2.98Å; L723-Y725 PolarHBondContact O-N 3.28Å; Y725-T728 PolarHBondContact O-N 3.04Å; Y725-K729 HydrophobicContact CE1-CB 4.48Å; Y725-K729 WeakPolarHBondContact O-CB 3.02Å; Y725-K729 PolarHBondContact O-N 3.39Å; Y725-L867 HydrophobicContact CD1-CD1 4.28Å; Y725-L867 HydrophobicContact CD2-CD1 4.09Å; Y725-L867 HydrophobicContact CE1-CD1 3.7Å; Y725-L867 HydrophobicContact CE1-CD2 4.18Å; Y725-L867 HydrophobicContact CE2-CD1 3.47Å; Y725-L867 VanDerWaalsContact CE2-CD1 3.47Å; Y725-L867 HydrophobicContact CG-CD1 4.46Å; Y725-L867 WeakPolarHBondContact OH-CD1 3.2Å
726	Y	95.2	Very high	91.6	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-51.1	179.2	-84.1	-119	0	0	0	111.3	A690 M691 F696 C699 A722 L723 T728 K729 M730 F761 I781	A690-Y726 PolarHBondContact O-OH 3.22Å; A690-Y726 VanDerWaalsContact O-OH 3.11Å; M691-Y726 HydrophobicContact SD-CE2 4.17Å; F696-Y726 HydrophobicContact CB-CE1 4.12Å; F696-Y726 AromaticContact CD2-CD1 3.85Å; F696-Y726 HydrophobicContact CD2-CD1 3.85Å; F696-Y726 HydrophobicContact CD2-CD2 4.04Å; F696-Y726 AromaticContact CD2-CE1 3.85Å; F696-Y726 HydrophobicContact CD2-CE1 3.85Å; F696-Y726 HydrophobicContact CD2-CE2 4.04Å; F696-Y726 AromaticContact CD2-CG 3.96Å; F696-Y726 HydrophobicContact CD2-CG 3.96Å; F696-Y726 AromaticContact CD2-CZ 3.94Å; F696-Y726 HydrophobicContact CE2-CD1 4.3Å; F696-Y726 HydrophobicContact CE2-CG 4.22Å; F696-Y726 HydrophobicContact CG-CE1 4.31Å; F696-Y726 PolarHBondContact N-OH 3.23Å; C699-Y726 HydrophobicContact CB-CD1 4.35Å; C699-Y726 HydrophobicContact CB-CE1 3.98Å; A722-Y726 WeakPolarHBondContact O-CB 3.37Å; A722-Y726 WeakPolarHBondContact O-CD2 2.98Å; A722-Y726 PolarHBondContact O-N 2.67Å; L723-Y726 PolarHBondContact O-N 3.09Å; Y726-T728 PolarHBondContact O-N 3.08Å; Y726-K729 PolarHBondContact O-N 3.12Å; Y726-M730 HydrophobicContact CD1-CE 3.87Å; Y726-M730 HydrophobicContact CE1-CE 4.46Å; Y726-M730 VanDerWaalsContact O-CB 3.31Å; Y726-M730 WeakPolarHBondContact O-CB 3.24Å; Y726-M730 VanDerWaalsContact O-CG 3.29Å; Y726-M730 WeakPolarHBondContact O-CG 3.48Å; Y726-M730 PolarHBondContact O-N 3.2Å; Y726-F761 HydrophobicContact CD1-CE1 4.33Å; Y726-F761 HydrophobicContact CG-CE1 4.38Å; Y726-I781 HydrophobicContact CD1-CD1 3.43Å; Y726-I781 VanDerWaalsContact CD1-CD1 3.43Å; Y726-I781 HydrophobicContact CD1-CG1 4.38Å; Y726-I781 HydrophobicContact CE1-CD1 3.66Å; Y726-I781 HydrophobicContact CE1-CG1 4.16Å; Y726-I781 HydrophobicContact CE1-CG2 4.12Å; Y726-I781 HydrophobicContact CE2-CG2 4.42Å; Y726-I781 HydrophobicContact CG-CD1 3.91Å
727	A	94.6	Very high	91.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-44.7	-179.3	0	0	0	0	0	112.7	L723 G731 R732 F734 F761	L723-A727 VanDerWaalsContact O-CB 3.26Å; L723-A727 WeakPolarHBondContact O-CB 3.07Å; L723-A727 PolarHBondContact O-N 3.29Å; A727-G731 WeakPolarHBondContact O-CA 3.45Å; A727-G731 PolarHBondContact O-N 3.02Å; A727-R732 PolarHBondContact O-N 3.38Å; A727-F734 HydrophobicContact CB-CB 3.66Å; A727-F734 HydrophobicContact CB-CD1 3.67Å; A727-F734 HydrophobicContact CB-CG 3.91Å; A727-F761 HydrophobicContact CB-CB 4.1Å; A727-F761 HydrophobicContact CB-CD1 4.47Å; A727-F761 HydrophobicContact CB-CD2 3.82Å; A727-F761 HydrophobicContact CB-CE2 4.39Å; A727-F761 HydrophobicContact CB-CG 3.87Å
728	T	94	Very high	91.1	Very high	85 Å²	85	33.7 Å²	33.7	52%	0.521	18%	0.184	S	C	.	.	H	α-helix	trans	-68.8	-46	-179	-53.8	0	0	0	0	111.5	K724 Y725 Y726 M730 G731	K724-T728 VanDerWaalsContact O-CB 3.27Å; K724-T728 WeakPolarHBondContact O-CB 3.19Å; K724-T728 PolarHBondContact O-N 3.17Å; K724-T728 PolarHBondContact O-OG1 2.71Å; Y725-T728 PolarHBondContact O-N 3.04Å; Y726-T728 PolarHBondContact O-N 3.08Å; T728-M730 VanDerWaalsContact C-N 3.31Å; T728-M730 PolarHBondContact O-N 2.69Å; T728-G731 PolarHBondContact O-N 3.24Å
729	K	92.9	Very high	91.2	Very high	67 Å²	67	33.4 Å²	33.4	29%	0.291	18%	0.183	S	C	.	.	H	α-helix	trans	-67.6	-32.9	-179.5	-171.8	76	174.3	-174	0	110.8	F696 Y725 Y726 K857 E863	F696-K729 HydrophobicContact CE1-CG 4.38Å; F696-K729 HydrophobicContact CE2-CB 3.94Å; F696-K729 HydrophobicContact CE2-CG 3.99Å; F696-K729 HydrophobicContact CZ-CB 3.82Å; F696-K729 HydrophobicContact CZ-CG 3.51Å; Y725-K729 HydrophobicContact CE1-CB 4.48Å; Y725-K729 WeakPolarHBondContact O-CB 3.02Å; Y725-K729 PolarHBondContact O-N 3.39Å; Y726-K729 PolarHBondContact O-N 3.12Å; K729-K857 HydrophobicContact CG-CD 4.11Å; K729-K857 PolarHBondContact O-NZ 3.02Å; K729-E863 IonicContact NZ-OE1 3.28Å; K729-E863 PolarHBondContact NZ-OE1 3.06Å
730	M	92.4	Very high	91	Very high	21 Å²	21	34.8 Å²	34.8	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-86.6	-13.6	176.5	-62.7	-173.5	-169.8	0	0	114.3	F696 C699 E700 I703 Y726 T728 R732 F761	F696-M730 HydrophobicContact CD1-CE 4.13Å; F696-M730 HydrophobicContact CD2-CE 3.95Å; F696-M730 HydrophobicContact CE1-CE 3.77Å; F696-M730 HydrophobicContact CE1-CG 4.49Å; F696-M730 HydrophobicContact CE2-CE 3.65Å; F696-M730 HydrophobicContact CE2-CG 4.29Å; F696-M730 HydrophobicContact CG-CE 4.19Å; F696-M730 HydrophobicContact CZ-CE 3.52Å; F696-M730 HydrophobicContact CZ-CG 3.75Å; C699-M730 HydrophobicContact CB-CE 4.03Å; E700-M730 HydrophobicContact CB-CE 3.87Å; E700-M730 HydrophobicContact CB-SD 4.43Å; I703-M730 HydrophobicContact CD1-SD 3.48Å; I703-M730 WeakPolarHBondContact CD1-SD 3.48Å; Y726-M730 HydrophobicContact CD1-CE 3.87Å; Y726-M730 HydrophobicContact CE1-CE 4.46Å; Y726-M730 VanDerWaalsContact O-CB 3.31Å; Y726-M730 WeakPolarHBondContact O-CB 3.24Å; Y726-M730 VanDerWaalsContact O-CG 3.29Å; Y726-M730 WeakPolarHBondContact O-CG 3.48Å; Y726-M730 PolarHBondContact O-N 3.2Å; T728-M730 VanDerWaalsContact C-N 3.31Å; T728-M730 PolarHBondContact O-N 2.69Å; M730-R732 HydrophobicContact CB-CG 4.25Å; M730-F761 HydrophobicContact SD-CE2 4.43Å; M730-F761 HydrophobicContact SD-CZ 3.83Å
731	G	91.6	Very high	90.6	Very high	32 Å²	32	39.8 Å²	39.8	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	35.3	179.5	0	0	0	0	0	113.7	A727 T728	A727-G731 WeakPolarHBondContact O-CA 3.45Å; A727-G731 PolarHBondContact O-N 3.02Å; T728-G731 PolarHBondContact O-N 3.24Å
732	R	92.9	Very high	90.3	Very high	64 Å²	64	42.1 Å²	42.1	24%	0.242	25%	0.247	C	C	.	.			trans	-114.8	150.9	-178.6	-59.4	-62	-175.5	-154.1	-5.4	111.3	E707 A727 M730 A759 F761	E707-R732 IonicContact OE1-CZ 2.86Å; E707-R732 IonicContact OE1-NE 3.6Å; E707-R732 PolarHBondContact OE1-NE 3.41Å; E707-R732 IonicContact OE1-NH1 3.66Å; E707-R732 IonicContact OE1-NH2 3.92Å; E707-R732 PolarHBondContact OE1-NH2 3.28Å; E707-R732 IonicContact OE2-CZ 3.17Å; E707-R732 IonicContact OE2-NH2 3.08Å; E707-R732 PolarHBondContact OE2-NH2 3.39Å; A727-R732 PolarHBondContact O-N 3.38Å; M730-R732 HydrophobicContact CB-CG 4.25Å; R732-A759 HydrophobicContact CG-CB 4.46Å; R732-F761 HydrophobicContact CB-CD2 3.82Å; R732-F761 HydrophobicContact CB-CE2 3.75Å; R732-F761 HydrophobicContact CG-CE2 4.13Å
733	P	93.4	Very high	90.2	Very high	27 Å²	27	46.6 Å²	46.6	18%	0.175	27%	0.268	C	S	.	.			trans	-64.7	150.3	176.6	-18.2	31.7	0	0	0	112.2	I747 V757 I760 F761 L940	P733-I747 HydrophobicContact CB-CG2 4.04Å; P733-V757 HydrophobicContact CG-CG1 3.87Å; P733-I760 HydrophobicContact CB-CG2 4.38Å; P733-F761 PolarHBondContact O-N 2.92Å; P733-L940 HydrophobicContact CG-CD1 4.49Å
734	F	93.1	Very high	90	Very high	40 Å²	40	48 Å²	48	18%	0.175	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.3	176.8	64.2	-82.4	0	0	0	112.7	L723 K724 A727 Y736 F761	L723-F734 HydrophobicContact CD2-CB 4.35Å; L723-F734 HydrophobicContact CD2-CD2 4.45Å; K724-F734 HydrophobicContact CG-CD2 4.34Å; K724-F734 HydrophobicContact CG-CE2 3.87Å; K724-F734 HydrophobicContact CG-CZ 4.38Å; A727-F734 HydrophobicContact CB-CB 3.66Å; A727-F734 HydrophobicContact CB-CD1 3.67Å; A727-F734 HydrophobicContact CB-CG 3.91Å; F734-Y736 AromaticContact CD2-CD1 3.59Å; F734-Y736 HydrophobicContact CD2-CD1 3.59Å; F734-Y736 AromaticContact CD2-CE1 3.95Å; F734-Y736 HydrophobicContact CD2-CE1 3.95Å; F734-Y736 HydrophobicContact CD2-CG 4.48Å; F734-Y736 AromaticContact CE2-CD1 3.5Å; F734-Y736 HydrophobicContact CE2-CD1 3.5Å; F734-Y736 AromaticContact CE2-CE1 3.35Å; F734-Y736 HydrophobicContact CE2-CE1 3.35Å; F734-Y736 HydrophobicContact CE2-CG 4.49Å; F734-Y736 HydrophobicContact CZ-CE1 4.32Å; F734-F761 CarbonylContact C-O 3.54Å; F734-F761 WeakPolarHBondContact CA-O 3.38Å; F734-F761 HydrophobicContact CB-CB 3.67Å
735	L	90.7	Very high	89.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.9	179.5	-67.1	178	0	0	0	110.5	T739 R744 I747 L748 F761 V762 S763	L735-T739 HydrophobicContact CD2-CG2 3.97Å; L735-R744 HydrophobicContact CD2-CB 4.31Å; L735-R744 HydrophobicContact CD2-CG 4.08Å; L735-I747 HydrophobicContact CD1-CG2 4.25Å; L735-I747 HydrophobicContact CD2-CB 4.09Å; L735-I747 HydrophobicContact CD2-CD1 3.6Å; L735-I747 HydrophobicContact CD2-CG1 4.44Å; L735-I747 HydrophobicContact CD2-CG2 4.04Å; L735-I747 HydrophobicContact CG-CG2 4.11Å; L735-L748 HydrophobicContact CD1-CD2 3.74Å; L735-L748 HydrophobicContact CD1-CG 4.26Å; L735-F761 PolarHBondContact N-O 2.88Å; L735-V762 HydrophobicContact CB-CG1 4.18Å; L735-V762 HydrophobicContact CD1-CG2 4.45Å; L735-S763 PolarHBondContact O-N 3.42Å; L735-S763 VanDerWaalsContact O-N 3.08Å; L735-S763 PolarHBondContact O-OG 3.16Å
736	Y	89.5	Confident	89.4	Confident	53 Å²	53	52.6 Å²	52.6	21%	0.208	30%	0.298	C	S	.	.			trans	-145.2	168.2	178	70.6	-61.2	0	0	0	110.9	V720 K724 F734 P738 T739 S763	V720-Y736 HydrophobicContact CG1-CD2 3.87Å; V720-Y736 HydrophobicContact CG1-CG 4.42Å; K724-Y736 VanDerWaalsContact CE-CE2 3.47Å; F734-Y736 AromaticContact CD2-CD1 3.59Å; F734-Y736 HydrophobicContact CD2-CD1 3.59Å; F734-Y736 AromaticContact CD2-CE1 3.95Å; F734-Y736 HydrophobicContact CD2-CE1 3.95Å; F734-Y736 HydrophobicContact CD2-CG 4.48Å; F734-Y736 AromaticContact CE2-CD1 3.5Å; F734-Y736 HydrophobicContact CE2-CD1 3.5Å; F734-Y736 AromaticContact CE2-CE1 3.35Å; F734-Y736 HydrophobicContact CE2-CE1 3.35Å; F734-Y736 HydrophobicContact CE2-CG 4.49Å; F734-Y736 HydrophobicContact CZ-CE1 4.32Å; Y736-P738 HydrophobicContact CD2-CB 4.36Å; Y736-P738 VanDerWaalsContact CD2-CD 3.45Å; Y736-P738 HydrophobicContact CD2-CG 3.96Å; Y736-P738 HydrophobicContact CE2-CB 3.78Å; Y736-P738 HydrophobicContact CE2-CG 3.66Å; Y736-T739 WeakPolarHBondContact CD1-OG1 3.49Å; Y736-T739 WeakPolarHBondContact CE1-OG1 3.27Å; Y736-T739 PolarHBondContact N-OG1 3.24Å; Y736-T739 WeakPolarHBondContact O-CB 3.43Å; Y736-T739 PolarHBondContact O-N 3.42Å; Y736-T739 PolarHBondContact O-OG1 3.03Å; Y736-S763 VanDerWaalsContact CA-OG 3.24Å; Y736-S763 WeakPolarHBondContact CA-OG 3.08Å
737	G	84.1	Confident	89.2	Confident	26 Å²	26	53.4 Å²	53.4	27%	0.268	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-51.3	-168.4	0	0	0	0	0	114.5	T739 R744 E882	G737-T739 PolarHBondContact O-N 3.24Å; G737-T739 VanDerWaalsContact O-N 3.14Å; G737-R744 PolarHBondContact O-NH2 3.46Å; G737-E882 WeakPolarHBondContact CA-OE1 3.23Å; G737-E882 PolarHBondContact N-OE1 2.79Å
738	P	86	Confident	88.9	Confident	98 Å²	98	54 Å²	54	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.6	176	-26.5	34.6	0	0	0	116.7	Y736 G740	Y736-P738 HydrophobicContact CD2-CB 4.36Å; Y736-P738 VanDerWaalsContact CD2-CD 3.45Å; Y736-P738 HydrophobicContact CD2-CG 3.96Å; Y736-P738 HydrophobicContact CE2-CB 3.78Å; Y736-P738 HydrophobicContact CE2-CG 3.66Å; P738-G740 PolarHBondContact O-N 3.33Å
739	T	86.6	Confident	88.6	Confident	6 Å²	6	54.9 Å²	54.9	4%	0.037	30%	0.303	C	S	.	.	S	Bend	trans	-64.5	120.6	176.3	-56.2	0	0	0	0	110.1	L735 Y736 G737 E743 R744	L735-T739 HydrophobicContact CD2-CG2 3.97Å; Y736-T739 WeakPolarHBondContact CD1-OG1 3.49Å; Y736-T739 WeakPolarHBondContact CE1-OG1 3.27Å; Y736-T739 PolarHBondContact N-OG1 3.24Å; Y736-T739 WeakPolarHBondContact O-CB 3.43Å; Y736-T739 PolarHBondContact O-N 3.42Å; Y736-T739 PolarHBondContact O-OG1 3.03Å; G737-T739 PolarHBondContact O-N 3.24Å; G737-T739 VanDerWaalsContact O-N 3.14Å; T739-E743 HydrophobicContact CG2-CB 4.17Å; T739-E743 HydrophobicContact CG2-CG 3.99Å; T739-R744 HydrophobicContact CG2-CB 4.27Å; T739-R744 PolarHBondContact O-NH2 3.44Å; T739-R744 VanDerWaalsContact O-NH2 3.1Å
740	G	84.2	Confident	88.5	Confident	41 Å²	41	54.6 Å²	54.6	42%	0.423	31%	0.305	S	S	.	.			trans	-61.6	150.7	-179.7	0	0	0	0	0	113	P738 A742 E743 R744	P738-G740 PolarHBondContact O-N 3.33Å; G740-A742 VanDerWaalsContact C-N 3.33Å; G740-A742 PolarHBondContact O-N 3.03Å; G740-E743 PolarHBondContact O-N 3.36Å; G740-R744 WeakPolarHBondContact O-CB 3.43Å; G740-R744 PolarHBondContact O-N 3.04Å
741	Q	80.5	Confident	88.4	Confident	132 Å²	132	53.7 Å²	53.7	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-59.8	-38.7	-173.6	-66.4	-60.7	-23.1	0	0	113.7	R744 M745	Q741-R744 PolarHBondContact O-N 3.4Å; Q741-M745 WeakPolarHBondContact O-CB 3.35Å; Q741-M745 PolarHBondContact O-N 3.42Å
742	A	84.9	Confident	88.1	Confident	85 Å²	85	56.4 Å²	56.4	70%	0.702	31%	0.305	S	S	*	.	H	α-helix	trans	-66.3	-43.8	178.6	0	0	0	0	0	112.4	G740 M745 Q746	G740-A742 VanDerWaalsContact C-N 3.33Å; G740-A742 PolarHBondContact O-N 3.03Å; A742-M745 PolarHBondContact O-N 2.89Å; A742-Q746 PolarHBondContact O-N 2.76Å
743	E	89.4	Confident	87.9	Confident	94 Å²	94	60.4 Å²	60.4	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-43.6	176.2	179.3	177.2	-162.8	0	0	110.9	T739 G740 M745 Q746 I747	T739-E743 HydrophobicContact CG2-CB 4.17Å; T739-E743 HydrophobicContact CG2-CG 3.99Å; G740-E743 PolarHBondContact O-N 3.36Å; E743-M745 PolarHBondContact O-N 3.21Å; E743-Q746 PolarHBondContact O-N 3.33Å; E743-I747 HydrophobicContact CG-CD1 3.9Å; E743-I747 WeakPolarHBondContact O-CG1 3.31Å; E743-I747 PolarHBondContact O-N 2.96Å
744	R	87.3	Confident	87.7	Confident	30 Å²	30	61.2 Å²	61.2	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-55.1	-51.3	175.4	-175.1	-177.9	-58	-173.6	1.3	111.2	L735 G737 T739 G740 Q741 Q746 I747 L748	L735-R744 HydrophobicContact CD2-CB 4.31Å; L735-R744 HydrophobicContact CD2-CG 4.08Å; G737-R744 PolarHBondContact O-NH2 3.46Å; T739-R744 HydrophobicContact CG2-CB 4.27Å; T739-R744 PolarHBondContact O-NH2 3.44Å; T739-R744 VanDerWaalsContact O-NH2 3.1Å; G740-R744 WeakPolarHBondContact O-CB 3.43Å; G740-R744 PolarHBondContact O-N 3.04Å; Q741-R744 PolarHBondContact O-N 3.4Å; R744-Q746 VanDerWaalsContact C-N 3.32Å; R744-Q746 PolarHBondContact O-N 2.8Å; R744-I747 PolarHBondContact O-N 3.45Å; R744-L748 HydrophobicContact CG-CD1 4.15Å; R744-L748 VanDerWaalsContact O-CG 3.29Å; R744-L748 WeakPolarHBondContact O-CG 3.42Å; R744-L748 PolarHBondContact O-N 3.12Å
745	M	84.9	Confident	87.4	Confident	103 Å²	103	63.2 Å²	63.2	51%	0.507	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-42	178.5	-170.9	59.9	64.9	0	0	111.9	Q741 A742 E743 I747 L748 Q749	Q741-M745 WeakPolarHBondContact O-CB 3.35Å; Q741-M745 PolarHBondContact O-N 3.42Å; A742-M745 PolarHBondContact O-N 2.89Å; E743-M745 PolarHBondContact O-N 3.21Å; M745-I747 PolarHBondContact O-N 3.44Å; M745-L748 PolarHBondContact O-N 2.98Å; M745-Q749 HydrophobicContact CG-CG 4.44Å; M745-Q749 WeakPolarHBondContact O-CB 3.38Å; M745-Q749 VanDerWaalsContact O-CG 3.3Å; M745-Q749 WeakPolarHBondContact O-CG 3.43Å; M745-Q749 PolarHBondContact O-N 2.81Å; M745-Q749 HydrophobicContact SD-CG 4.44Å
746	Q	89.3	Confident	87.3	Confident	98 Å²	98	68.6 Å²	68.6	46%	0.458	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.5	-173.8	178.4	11.5	0	0	112.3	A742 E743 R744 N750	A742-Q746 PolarHBondContact O-N 2.76Å; E743-Q746 PolarHBondContact O-N 3.33Å; R744-Q746 VanDerWaalsContact C-N 3.32Å; R744-Q746 PolarHBondContact O-N 2.8Å; Q746-N750 VanDerWaalsContact O-CB 3.31Å; Q746-N750 WeakPolarHBondContact O-CB 3.42Å; Q746-N750 PolarHBondContact O-N 3.41Å; Q746-N750 PolarHBondContact O-ND2 3.2Å
747	I	90.6	Very high	87.3	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.092	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-44.4	177.2	-69.3	167.6	0	0	0	110.5	P733 L735 E743 R744 M745 N750 F751 I760	P733-I747 HydrophobicContact CB-CG2 4.04Å; L735-I747 HydrophobicContact CD1-CG2 4.25Å; L735-I747 HydrophobicContact CD2-CB 4.09Å; L735-I747 HydrophobicContact CD2-CD1 3.6Å; L735-I747 HydrophobicContact CD2-CG1 4.44Å; L735-I747 HydrophobicContact CD2-CG2 4.04Å; L735-I747 HydrophobicContact CG-CG2 4.11Å; E743-I747 HydrophobicContact CG-CD1 3.9Å; E743-I747 WeakPolarHBondContact O-CG1 3.31Å; E743-I747 PolarHBondContact O-N 2.96Å; R744-I747 PolarHBondContact O-N 3.45Å; M745-I747 PolarHBondContact O-N 3.44Å; I747-N750 PolarHBondContact O-N 2.82Å; I747-F751 WeakPolarHBondContact O-CB 3.4Å; I747-F751 PolarHBondContact O-N 2.9Å; I747-I760 HydrophobicContact CG2-CG2 4.16Å
748	L	87.9	Confident	87.6	Confident	13 Å²	13	66.6 Å²	66.6	7%	0.068	36%	0.363	C	S	.	.	H	α-helix	trans	-65.7	-45.1	179.5	-63.5	171.5	0	0	0	111.7	L735 R744 M745 N750 F751 Q752 F770 L772 P773	L735-L748 HydrophobicContact CD1-CD2 3.74Å; L735-L748 HydrophobicContact CD1-CG 4.26Å; R744-L748 HydrophobicContact CG-CD1 4.15Å; R744-L748 VanDerWaalsContact O-CG 3.29Å; R744-L748 WeakPolarHBondContact O-CG 3.42Å; R744-L748 PolarHBondContact O-N 3.12Å; M745-L748 PolarHBondContact O-N 2.98Å; L748-N750 VanDerWaalsContact C-N 3.33Å; L748-N750 PolarHBondContact O-N 2.93Å; L748-F751 PolarHBondContact O-N 3.06Å; L748-Q752 WeakPolarHBondContact O-CG 3.34Å; L748-Q752 PolarHBondContact O-N 3.37Å; L748-F770 HydrophobicContact CD1-CD2 4.5Å; L748-L772 HydrophobicContact CD2-CD2 4.22Å; L748-P773 VanDerWaalsContact CD2-CD 3.49Å; L748-P773 HydrophobicContact CD2-CG 4.02Å
749	Q	88.1	Confident	88	Confident	103 Å²	103	62 Å²	62	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-41.8	175.8	-74.5	176.7	-8.5	0	0	112	M745 Q752 H753	M745-Q749 HydrophobicContact CG-CG 4.44Å; M745-Q749 WeakPolarHBondContact O-CB 3.38Å; M745-Q749 VanDerWaalsContact O-CG 3.3Å; M745-Q749 WeakPolarHBondContact O-CG 3.43Å; M745-Q749 PolarHBondContact O-N 2.81Å; M745-Q749 HydrophobicContact SD-CG 4.44Å; Q749-Q752 PolarHBondContact O-N 3.34Å; Q749-H753 PolarHBondContact O-N 2.93Å
750	N	91	Very high	88.4	Confident	62 Å²	62	61.7 Å²	61.7	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-45.4	173.9	-77.7	-29.4	0	0	0	111	Q746 I747 L748 Q752 N754	Q746-N750 VanDerWaalsContact O-CB 3.31Å; Q746-N750 WeakPolarHBondContact O-CB 3.42Å; Q746-N750 PolarHBondContact O-N 3.41Å; Q746-N750 PolarHBondContact O-ND2 3.2Å; I747-N750 PolarHBondContact O-N 2.82Å; L748-N750 VanDerWaalsContact C-N 3.33Å; L748-N750 PolarHBondContact O-N 2.93Å; N750-Q752 VanDerWaalsContact C-N 3.34Å; N750-Q752 PolarHBondContact O-N 3.34Å; N750-N754 HydrophobicContact CB-CB 4.49Å; N750-N754 VanDerWaalsContact O-CA 3.29Å; N750-N754 WeakPolarHBondContact O-CA 3.09Å; N750-N754 WeakPolarHBondContact O-CB 3.41Å; N750-N754 PolarHBondContact O-N 2.73Å
751	F	90.2	Very high	88.8	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-62.7	-39.8	177.6	178.3	-97.1	0	0	0	112.6	K712 I713 I714 I747 L748 P758 I760 P773 A775	K712-F751 HydrophobicContact CB-CE1 4.26Å; K712-F751 HydrophobicContact CB-CE2 4.32Å; K712-F751 HydrophobicContact CB-CZ 3.74Å; K712-F751 HydrophobicContact CD-CE2 4.25Å; K712-F751 HydrophobicContact CD-CZ 4.26Å; K712-F751 WeakPolarHBondContact CE-O 3.37Å; K712-F751 HydrophobicContact CG-CZ 4.46Å; K712-F751 PolarHBondContact NZ-O 3.29Å; I713-F751 WeakPolarHBondContact O-CE2 2.95Å; I714-F751 HydrophobicContact CD1-CE1 4.31Å; I714-F751 HydrophobicContact CD1-CZ 4.28Å; I714-F751 HydrophobicContact CG1-CE1 4.28Å; I714-F751 HydrophobicContact CG1-CE2 4.45Å; I714-F751 HydrophobicContact CG1-CZ 3.75Å; I747-F751 WeakPolarHBondContact O-CB 3.4Å; I747-F751 PolarHBondContact O-N 2.9Å; L748-F751 PolarHBondContact O-N 3.06Å; F751-P758 VanDerWaalsContact CE2-O 3.28Å; F751-P758 WeakPolarHBondContact CE2-O 3.31Å; F751-I760 HydrophobicContact CB-CD1 4.37Å; F751-I760 HydrophobicContact CB-CG2 3.99Å; F751-I760 HydrophobicContact CD1-CD1 4.18Å; F751-I760 HydrophobicContact CD2-CB 4.24Å; F751-I760 HydrophobicContact CD2-CD1 4.07Å; F751-I760 HydrophobicContact CD2-CG1 3.81Å; F751-I760 HydrophobicContact CD2-CG2 3.61Å; F751-I760 HydrophobicContact CE1-CD1 4.41Å; F751-I760 HydrophobicContact CE2-CD1 4.29Å; F751-I760 HydrophobicContact CE2-CG1 3.82Å; F751-I760 HydrophobicContact CE2-CG2 4.36Å; F751-I760 HydrophobicContact CG-CD1 3.94Å; F751-I760 HydrophobicContact CG-CG1 4.22Å; F751-I760 HydrophobicContact CG-CG2 4.05Å; F751-I760 HydrophobicContact CZ-CD1 4.43Å; F751-I760 HydrophobicContact CZ-CG1 4.27Å; F751-P773 HydrophobicContact CD1-CB 3.62Å; F751-P773 HydrophobicContact CD1-CG 3.2Å; F751-P773 HydrophobicContact CE1-CB 3.87Å; F751-P773 HydrophobicContact CE1-CG 3.54Å; F751-P773 HydrophobicContact CG-CG 4.25Å; F751-A775 HydrophobicContact CZ-CB 4.27Å
752	Q	86.2	Confident	89.3	Confident	90 Å²	90	53.4 Å²	53.4	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-67.1	-53.9	178.6	-72.6	-178.9	4.7	0	0	112.5	L748 Q749 N750 P773	L748-Q752 WeakPolarHBondContact O-CG 3.34Å; L748-Q752 PolarHBondContact O-N 3.37Å; Q749-Q752 PolarHBondContact O-N 3.34Å; N750-Q752 VanDerWaalsContact C-N 3.34Å; N750-Q752 PolarHBondContact O-N 3.34Å; Q752-P773 HydrophobicContact CG-CB 3.33Å; Q752-P773 HydrophobicContact CG-CG 4.3Å
753	H	88	Confident	89.5	Confident	147 Å²	147	49.4 Å²	49.4	68%	0.681	25%	0.248	S	C	*	.	H	α-helix	trans	-100.5	-25	-167.1	-60.3	-56.1	0	0	0	114	Q749 P755	Q749-H753 PolarHBondContact O-N 2.93Å; H753-P755 WeakPolarHBondContact O-CD 3.27Å
754	N	89.7	Confident	89.1	Confident	45 Å²	45	45.8 Å²	45.8	24%	0.241	23%	0.231	C	C	.	.			trans	-90	115.9	-177.9	-163.7	-17.5	0	0	0	110.3	K712 N750 N756 V757	K712-N754 PolarHBondContact NZ-O 3.23Å; N750-N754 HydrophobicContact CB-CB 4.49Å; N750-N754 VanDerWaalsContact O-CA 3.29Å; N750-N754 WeakPolarHBondContact O-CA 3.09Å; N750-N754 WeakPolarHBondContact O-CB 3.41Å; N750-N754 PolarHBondContact O-N 2.73Å; N754-N756 PolarHBondContact O-N 3.46Å; N754-N756 VanDerWaalsContact OD1-CB 3.28Å; N754-N756 WeakPolarHBondContact OD1-CB 3.35Å; N754-N756 PolarHBondContact OD1-N 3.44Å; N754-N756 PolarHBondContact OD1-ND2 3.28Å; N754-V757 PolarHBondContact O-N 3.4Å
755	P	86.4	Confident	88.7	Confident	81 Å²	81	44.8 Å²	44.8	53%	0.526	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.5	175.3	27.7	-34.3	0	0	0	112.6	H753 V757	H753-P755 WeakPolarHBondContact O-CD 3.27Å; P755-V757 PolarHBondContact O-N 2.98Å
756	N	88.1	Confident	88.2	Confident	114 Å²	114	40.2 Å²	40.2	61%	0.61	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.4	-179.1	-60.4	-38.5	0	0	0	113.8	N754 P758	N754-N756 PolarHBondContact O-N 3.46Å; N754-N756 VanDerWaalsContact OD1-CB 3.28Å; N754-N756 WeakPolarHBondContact OD1-CB 3.35Å; N754-N756 PolarHBondContact OD1-N 3.44Å; N754-N756 PolarHBondContact OD1-ND2 3.28Å; N756-P758 VanDerWaalsContact O-CD 3.23Å; N756-P758 WeakPolarHBondContact O-CD 3.33Å
757	V	89.7	Confident	87.3	Confident	25 Å²	25	36.7 Å²	36.7	15%	0.152	19%	0.191	C	C	.	.			trans	-116.9	76	176.1	-171.8	0	0	0	0	108.4	P733 N754 P755 A759 I760	P733-V757 HydrophobicContact CG-CG1 3.87Å; N754-V757 PolarHBondContact O-N 3.4Å; P755-V757 PolarHBondContact O-N 2.98Å; V757-A759 VanDerWaalsContact C-N 3.33Å; V757-I760 HydrophobicContact CG1-CG2 4.38Å
758	P	91.2	Very high	86	Confident	13 Å²	13	37.5 Å²	37.5	8%	0.084	20%	0.196	C	C	.	.			trans	-78.9	-17.2	-179.4	31.9	-36.2	0	0	0	113	E707 I713 F751 N756	E707-P758 HydrophobicContact CG-CB 4.25Å; E707-P758 HydrophobicContact CG-CG 3.67Å; I713-P758 PolarHBondContact N-O 3.48Å; F751-P758 VanDerWaalsContact CE2-O 3.28Å; F751-P758 WeakPolarHBondContact CE2-O 3.31Å; N756-P758 VanDerWaalsContact O-CD 3.23Å; N756-P758 WeakPolarHBondContact O-CD 3.33Å
759	A	93.9	Very high	84.4	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.9	-172.6	0	0	0	0	0	113	I703 I713 I715 R732 V757	I703-A759 HydrophobicContact CG2-CB 4.3Å; I713-A759 HydrophobicContact CB-CB 4.12Å; I713-A759 VanDerWaalsContact O-CA 3.3Å; I713-A759 WeakPolarHBondContact O-CA 3.37Å; I715-A759 HydrophobicContact CD1-CB 4.09Å; R732-A759 HydrophobicContact CG-CB 4.46Å; V757-A759 VanDerWaalsContact C-N 3.33Å
760	I	94	Very high	83.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.5	172.5	58.6	172.6	0	0	0	111.5	I713 I714 I715 P733 I747 F751 V757 V762	I713-I760 PolarHBondContact O-N 2.91Å; I713-I760 VanDerWaalsContact O-N 3.1Å; I714-I760 HydrophobicContact CD1-CD1 4.34Å; I714-I760 HydrophobicContact CG1-CD1 4.18Å; I714-I760 HydrophobicContact CG1-CG1 3.95Å; I715-I760 WeakPolarHBondContact CD1-O 3.46Å; I715-I760 PolarHBondContact N-O 3.07Å; P733-I760 HydrophobicContact CB-CG2 4.38Å; I747-I760 HydrophobicContact CG2-CG2 4.16Å; F751-I760 HydrophobicContact CB-CD1 4.37Å; F751-I760 HydrophobicContact CB-CG2 3.99Å; F751-I760 HydrophobicContact CD1-CD1 4.18Å; F751-I760 HydrophobicContact CD2-CB 4.24Å; F751-I760 HydrophobicContact CD2-CD1 4.07Å; F751-I760 HydrophobicContact CD2-CG1 3.81Å; F751-I760 HydrophobicContact CD2-CG2 3.61Å; F751-I760 HydrophobicContact CE1-CD1 4.41Å; F751-I760 HydrophobicContact CE2-CD1 4.29Å; F751-I760 HydrophobicContact CE2-CG1 3.82Å; F751-I760 HydrophobicContact CE2-CG2 4.36Å; F751-I760 HydrophobicContact CG-CD1 3.94Å; F751-I760 HydrophobicContact CG-CG1 4.22Å; F751-I760 HydrophobicContact CG-CG2 4.05Å; F751-I760 HydrophobicContact CZ-CD1 4.43Å; F751-I760 HydrophobicContact CZ-CG1 4.27Å; V757-I760 HydrophobicContact CG1-CG2 4.38Å; I760-V762 HydrophobicContact CD1-CG2 4.01Å; I760-V762 HydrophobicContact CG1-CG2 4.2Å
761	F	94.4	Very high	82.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.6	172.8	-78.6	-95.7	0	0	0	110.1	I703 I715 L723 Y726 A727 M730 R732 P733 F734 L735 I781	I703-F761 HydrophobicContact CD1-CZ 4.18Å; I715-F761 HydrophobicContact CB-CD1 3.71Å; I715-F761 HydrophobicContact CB-CE1 3.69Å; I715-F761 HydrophobicContact CB-CG 4.18Å; I715-F761 HydrophobicContact CB-CZ 4.14Å; I715-F761 HydrophobicContact CD1-CD2 4.32Å; I715-F761 HydrophobicContact CD1-CE2 4.07Å; I715-F761 HydrophobicContact CD1-CZ 4.22Å; I715-F761 HydrophobicContact CG1-CE1 4.21Å; I715-F761 HydrophobicContact CG1-CZ 4.17Å; I715-F761 HydrophobicContact CG2-CD1 3.69Å; I715-F761 HydrophobicContact CG2-CE1 3.4Å; I715-F761 VanDerWaalsContact CG2-CE1 3.4Å; I715-F761 HydrophobicContact CG2-CZ 4.15Å; I715-F761 CarbonylContact O-C 3.56Å; I715-F761 WeakPolarHBondContact O-CA 3.47Å; L723-F761 HydrophobicContact CD1-CB 3.79Å; L723-F761 HydrophobicContact CD1-CD1 4.09Å; L723-F761 HydrophobicContact CD1-CG 4.45Å; L723-F761 HydrophobicContact CG-CB 4.21Å; Y726-F761 HydrophobicContact CD1-CE1 4.33Å; Y726-F761 HydrophobicContact CG-CE1 4.38Å; A727-F761 HydrophobicContact CB-CB 4.1Å; A727-F761 HydrophobicContact CB-CD1 4.47Å; A727-F761 HydrophobicContact CB-CD2 3.82Å; A727-F761 HydrophobicContact CB-CE2 4.39Å; A727-F761 HydrophobicContact CB-CG 3.87Å; M730-F761 HydrophobicContact SD-CE2 4.43Å; M730-F761 HydrophobicContact SD-CZ 3.83Å; R732-F761 HydrophobicContact CB-CD2 3.82Å; R732-F761 HydrophobicContact CB-CE2 3.75Å; R732-F761 HydrophobicContact CG-CE2 4.13Å; P733-F761 PolarHBondContact O-N 2.92Å; F734-F761 CarbonylContact C-O 3.54Å; F734-F761 WeakPolarHBondContact CA-O 3.38Å; F734-F761 HydrophobicContact CB-CB 3.67Å; L735-F761 PolarHBondContact N-O 2.88Å; F761-I781 HydrophobicContact CE1-CD1 4.08Å
762	V	90.8	Very high	81.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.6	-179.9	-163.2	0	0	0	0	110	I714 I715 F716 S717 L723 L735 I760 V765 A766 F770 L772	I714-V762 HydrophobicContact CG2-CG2 4.03Å; I715-V762 PolarHBondContact O-N 2.92Å; F716-V762 WeakPolarHBondContact CA-O 3.42Å; S717-V762 PolarHBondContact N-O 3.02Å; S717-V762 VanDerWaalsContact N-O 3.16Å; L723-V762 WeakPolarHBondContact CD1-O 2.85Å; L735-V762 HydrophobicContact CB-CG1 4.18Å; L735-V762 HydrophobicContact CD1-CG2 4.45Å; I760-V762 HydrophobicContact CD1-CG2 4.01Å; I760-V762 HydrophobicContact CG1-CG2 4.2Å; V762-V765 HydrophobicContact CG1-CG2 3.83Å; V762-A766 HydrophobicContact CB-CB 4.43Å; V762-A766 HydrophobicContact CG1-CB 3.67Å; V762-F770 HydrophobicContact CG1-CZ 4.34Å; V762-L772 HydrophobicContact CG2-CD2 4.36Å
763	S	88.8	Confident	80.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.			trans	-90.4	-171.4	172.2	49.9	0	0	0	0	112	F716 S717 L735 Y736 V765 A766 E882	F716-S763 VanDerWaalsContact CE2-C 3.44Å; F716-S763 VanDerWaalsContact CE2-O 3.24Å; F716-S763 WeakPolarHBondContact CE2-O 3.44Å; S717-S763 WeakPolarHBondContact O-CA 3.43Å; L735-S763 PolarHBondContact O-N 3.42Å; L735-S763 VanDerWaalsContact O-N 3.08Å; L735-S763 PolarHBondContact O-OG 3.16Å; Y736-S763 VanDerWaalsContact CA-OG 3.24Å; Y736-S763 WeakPolarHBondContact CA-OG 3.08Å; S763-V765 PolarHBondContact O-N 3.49Å; S763-V765 WeakPolarHBondContact OG-CG2 3.42Å; S763-A766 WeakPolarHBondContact O-CB 3.24Å; S763-A766 PolarHBondContact O-N 3.33Å; S763-E882 WeakPolarHBondContact CB-OE2 2.97Å; S763-E882 PolarHBondContact OG-OE2 3.28Å
764	K	80.7	Confident	80.2	Confident	19 Å²	19	33.3 Å²	33.3	8%	0.083	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-52	-16.5	174.9	-159.9	173	-170.1	173.6	0	114.5	A766 D767 E881 L884 D887	K764-A766 PolarHBondContact O-N 3.11Å; K764-A766 VanDerWaalsContact O-N 3.09Å; K764-D767 PolarHBondContact O-N 2.9Å; K764-D767 VanDerWaalsContact O-N 3.08Å; K764-E881 IonicContact NZ-OE2 3.1Å; K764-E881 PolarHBondContact NZ-OE2 2.85Å; K764-L884 HydrophobicContact CB-CD1 4.25Å; K764-L884 HydrophobicContact CG-CD1 4.37Å; K764-D887 VanDerWaalsContact CE-OD2 3.26Å; K764-D887 WeakPolarHBondContact CE-OD2 3.36Å; K764-D887 IonicContact NZ-OD2 3.86Å; K764-D887 PolarHBondContact NZ-OD2 3.18Å
765	V	78.2	Confident	80	Confident	8 Å²	8	31.2 Å²	31.2	5%	0.048	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-49.8	-34.7	168	-58.7	0	0	0	0	112	V762 S763 D767 N768 F770 L884	V762-V765 HydrophobicContact CG1-CG2 3.83Å; S763-V765 PolarHBondContact O-N 3.49Å; S763-V765 WeakPolarHBondContact OG-CG2 3.42Å; V765-D767 PolarHBondContact O-N 3.48Å; V765-N768 WeakPolarHBondContact O-CB 3.47Å; V765-N768 PolarHBondContact O-N 3.02Å; V765-N768 VanDerWaalsContact O-N 3.12Å; V765-F770 HydrophobicContact CB-CE1 3.76Å; V765-F770 HydrophobicContact CB-CZ 4.38Å; V765-F770 HydrophobicContact CG2-CE1 3.81Å; V765-F770 HydrophobicContact CG2-CZ 3.92Å; V765-F770 WeakPolarHBondContact O-CD1 3.3Å; V765-F770 WeakPolarHBondContact O-CE1 3.17Å; V765-L884 HydrophobicContact CG1-CD1 4.22Å; V765-L884 HydrophobicContact CG1-CD2 4.21Å
766	A	74.2	Confident	80.1	Confident	8 Å²	8	28 Å²	28	7%	0.066	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-54.3	-31	177.9	0	0	0	0	0	115.3	F716 V762 S763 K764 N768 L772	F716-A766 HydrophobicContact CD2-CB 4.14Å; F716-A766 HydrophobicContact CE2-CB 4.04Å; V762-A766 HydrophobicContact CB-CB 4.43Å; V762-A766 HydrophobicContact CG1-CB 3.67Å; S763-A766 WeakPolarHBondContact O-CB 3.24Å; S763-A766 PolarHBondContact O-N 3.33Å; K764-A766 PolarHBondContact O-N 3.11Å; K764-A766 VanDerWaalsContact O-N 3.09Å; A766-N768 VanDerWaalsContact C-N 3.33Å; A766-L772 HydrophobicContact CB-CD1 3.54Å
767	D	70.5	Confident	80.3	Confident	23 Å²	23	22.6 Å²	22.6	12%	0.123	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-76.9	-30.1	-177.5	-61.7	-45.5	0	0	0	111.7	K764 V765 R794 R797	K764-D767 PolarHBondContact O-N 2.9Å; K764-D767 VanDerWaalsContact O-N 3.08Å; V765-D767 PolarHBondContact O-N 3.48Å; D767-R794 VanDerWaalsContact CG-NH2 3.28Å; D767-R794 IonicContact OD1-CZ 3.14Å; D767-R794 IonicContact OD1-NE 3.32Å; D767-R794 PolarHBondContact OD1-NE 3.22Å; D767-R794 IonicContact OD1-NH2 3.29Å; D767-R794 PolarHBondContact OD1-NH2 3.26Å; D767-R794 IonicContact OD2-CZ 2.63Å; D767-R794 IonicContact OD2-NE 3.57Å; D767-R794 IonicContact OD2-NH2 3.64Å; D767-R794 PolarHBondContact OD2-NH2 3Å; D767-R797 PolarHBondContact O-NH1 3.23Å
768	N	64.5	Low	80.5	Confident	35 Å²	35	21.5 Å²	21.5	19%	0.187	11%	0.113	C	C	.	.	S	Bend	trans	-76.2	153.5	176.4	-72.2	-70.4	0	0	0	110.5	V765 A766 F770 L884	V765-N768 WeakPolarHBondContact O-CB 3.47Å; V765-N768 PolarHBondContact O-N 3.02Å; V765-N768 VanDerWaalsContact O-N 3.12Å; A766-N768 VanDerWaalsContact C-N 3.33Å; N768-F770 PolarHBondContact O-N 2.64Å; N768-L884 WeakPolarHBondContact ND2-CD1 3.29Å
769	S	54.6	Low	80.7	Confident	20 Å²	20	20.9 Å²	20.9	14%	0.14	11%	0.109	C	C	.	.	S	Bend	trans	-70.8	29.9	-151.1	-30.7	0	0	0	0	117.2	S521 V523 Q527	S521-S769 WeakPolarHBondContact OG-CB 3.25Å; S521-S769 PolarHBondContact OG-OG 3.32Å; V523-S769 WeakPolarHBondContact CG1-O 3.22Å; Q527-S769 PolarHBondContact NE2-O 3.05Å
770	F	65.1	Low	80.6	Confident	34 Å²	34	21.1 Å²	21.1	15%	0.149	11%	0.11	C	C	.	.	S	Bend	trans	-85.9	147.1	169.2	74.3	-99.7	0	0	0	111.8	L748 V762 V765 N768 L772	L748-F770 HydrophobicContact CD1-CD2 4.5Å; V762-F770 HydrophobicContact CG1-CZ 4.34Å; V765-F770 HydrophobicContact CB-CE1 3.76Å; V765-F770 HydrophobicContact CB-CZ 4.38Å; V765-F770 HydrophobicContact CG2-CE1 3.81Å; V765-F770 HydrophobicContact CG2-CZ 3.92Å; V765-F770 WeakPolarHBondContact O-CD1 3.3Å; V765-F770 WeakPolarHBondContact O-CE1 3.17Å; N768-F770 PolarHBondContact O-N 2.64Å; F770-L772 HydrophobicContact CD2-CD2 4.47Å; F770-L772 HydrophobicContact CD2-CG 4.26Å; F770-L772 HydrophobicContact CE2-CD2 3.54Å; F770-L772 HydrophobicContact CE2-CG 3.66Å; F770-L772 HydrophobicContact CZ-CD2 4.18Å; F770-L772 HydrophobicContact CZ-CG 4.32Å; F770-L772 PolarHBondContact O-N 3.28Å; F770-L772 VanDerWaalsContact O-N 3.15Å
771	D	65.7	Low	80.4	Confident	125 Å²	125	21.1 Å²	21.1	67%	0.668	11%	0.11	S	C	*	.			trans	-75.8	103.1	-174.5	-165.3	17.9	0	0	0	110.2
772	L	72.9	Confident	79.6	Confident	20 Å²	20	21.7 Å²	21.7	11%	0.105	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-77.6	134.8	172.9	-84.9	168.8	0	0	0	109.6	L748 V762 A766 F770 I798	L748-L772 HydrophobicContact CD2-CD2 4.22Å; V762-L772 HydrophobicContact CG2-CD2 4.36Å; A766-L772 HydrophobicContact CB-CD1 3.54Å; F770-L772 HydrophobicContact CD2-CD2 4.47Å; F770-L772 HydrophobicContact CD2-CG 4.26Å; F770-L772 HydrophobicContact CE2-CD2 3.54Å; F770-L772 HydrophobicContact CE2-CG 3.66Å; F770-L772 HydrophobicContact CZ-CD2 4.18Å; F770-L772 HydrophobicContact CZ-CG 4.32Å; F770-L772 PolarHBondContact O-N 3.28Å; F770-L772 VanDerWaalsContact O-N 3.15Å; L772-I798 HydrophobicContact CD1-CD1 3.93Å; L772-I798 HydrophobicContact CD1-CG1 4.03Å
773	P	72.9	Confident	78.4	Confident	4 Å²	4	22.2 Å²	22.2	3%	0.026	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-59	147.9	174.9	25.2	-35.9	0	0	0	112.1	L748 F751 Q752 A775	L748-P773 VanDerWaalsContact CD2-CD 3.49Å; L748-P773 HydrophobicContact CD2-CG 4.02Å; F751-P773 HydrophobicContact CD1-CB 3.62Å; F751-P773 HydrophobicContact CD1-CG 3.2Å; F751-P773 HydrophobicContact CE1-CB 3.87Å; F751-P773 HydrophobicContact CE1-CG 3.54Å; F751-P773 HydrophobicContact CG-CG 4.25Å; Q752-P773 HydrophobicContact CG-CB 3.33Å; Q752-P773 HydrophobicContact CG-CG 4.3Å; P773-A775 PolarHBondContact O-N 3.13Å
774	E	78.1	Confident	77.3	Confident	126 Å²	126	24.9 Å²	24.9	59%	0.589	13%	0.131	S	C	*	.	P	Polyproline II helix	trans	-56.5	128	176.9	-53.8	-166.9	148	0	0	110.6	R800	E774-R800 HydrophobicContact CB-CB 4.02Å; E774-R800 HydrophobicContact CB-CG 3.89Å; E774-R800 HydrophobicContact CG-CB 4.33Å; E774-R800 HydrophobicContact CG-CG 3.78Å; E774-R800 IonicContact OE1-NE 2.6Å
775	A	85.5	Confident	76.2	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.008	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-126.8	153.5	175.8	0	0	0	0	0	111.1	K712 I714 F751 P773 I798 L799 R800	K712-A775 HydrophobicContact CB-CB 4.45Å; I714-A775 HydrophobicContact CB-CB 4.43Å; I714-A775 HydrophobicContact CD1-CB 3.7Å; I714-A775 HydrophobicContact CG1-CB 3.69Å; F751-A775 HydrophobicContact CZ-CB 4.27Å; P773-A775 PolarHBondContact O-N 3.13Å; A775-I798 HydrophobicContact CB-CG2 3.76Å; A775-I798 PolarHBondContact N-O 3.35Å; A775-I798 VanDerWaalsContact N-O 3.11Å; A775-L799 WeakPolarHBondContact O-CA 3.27Å; A775-R800 PolarHBondContact O-N 2.95Å; A775-R800 VanDerWaalsContact O-N 3.16Å
776	T	88.6	Confident	75.2	Confident	13 Å²	13	26.9 Å²	26.9	8%	0.08	16%	0.158	C	C	.	.	S	Bend	trans	-95	-29.3	178.6	-50	0	0	0	0	110.8	K712 K802 N811 A812 F813	K712-T776 PolarHBondContact O-N 3.32Å; T776-K802 HydrophobicContact CG2-CB 4.42Å; T776-N811 WeakPolarHBondContact CG2-O 3.38Å; T776-A812 CarbonylContact O-C 3.46Å; T776-A812 WeakPolarHBondContact O-CA 3.25Å; T776-F813 PolarHBondContact O-N 2.86Å
777	V	92.8	Very high	74.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.5	-175.2	-175.9	0	0	0	0	110	H706 D711 K712 I713 I714 I779 F813 Y815	H706-V777 HydrophobicContact CB-CG2 4.17Å; H706-V777 WeakPolarHBondContact ND1-CG2 3.4Å; D711-V777 HydrophobicContact CB-CG2 3.91Å; K712-V777 PolarHBondContact O-N 3.37Å; I713-V777 WeakPolarHBondContact CA-O 3.38Å; I713-V777 HydrophobicContact CG1-CB 4.25Å; I713-V777 HydrophobicContact CG2-CB 4.35Å; I713-V777 HydrophobicContact CG2-CG1 4.25Å; I714-V777 PolarHBondContact N-O 2.78Å; V777-I779 HydrophobicContact CG1-CG1 4.12Å; V777-F813 WeakPolarHBondContact CA-O 3.45Å; V777-F813 HydrophobicContact CG1-CB 4.44Å; V777-F813 HydrophobicContact CG2-CB 4.36Å; V777-F813 HydrophobicContact CG2-CD2 4.25Å; V777-Y815 HydrophobicContact CG1-CD2 3.96Å; V777-Y815 HydrophobicContact CG1-CE2 3.89Å
778	L	93.1	Very high	75	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.2	172.5	178.1	63.6	0	0	0	109.2	I714 F716 I798 L799 F813 F814 Y815	I714-L778 HydrophobicContact CB-CD1 4.25Å; I714-L778 HydrophobicContact CG2-CD1 4.04Å; I714-L778 WeakPolarHBondContact O-CA 3.47Å; F716-L778 HydrophobicContact CB-CD1 4.29Å; L778-I798 HydrophobicContact CD1-CD1 3.95Å; L778-I798 HydrophobicContact CD2-CD1 4.38Å; L778-L799 HydrophobicContact CB-CD2 3.99Å; L778-F813 PolarHBondContact N-O 3.27Å; L778-F814 HydrophobicContact CB-CD2 4.08Å; L778-F814 HydrophobicContact CD2-CD2 3.76Å; L778-F814 HydrophobicContact CD2-CE2 3.95Å; L778-F814 HydrophobicContact CG-CD2 3.88Å; L778-F814 HydrophobicContact CG-CE2 4.18Å; L778-F814 CarbonylContact O-C 3.5Å; L778-F814 WeakPolarHBondContact O-CA 3.03Å; L778-Y815 PolarHBondContact O-N 3.42Å
779	I	94.4	Very high	75.3	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.6	176.3	-56.6	175.5	0	0	0	108.5	L702 I703 I713 I714 I715 F716 V777 Y815 L817	L702-I779 HydrophobicContact CB-CD1 3.8Å; L702-I779 HydrophobicContact CD1-CD1 4.42Å; I703-I779 HydrophobicContact CG1-CD1 4.19Å; I713-I779 HydrophobicContact CG2-CD1 3.99Å; I713-I779 HydrophobicContact CG2-CG1 4.43Å; I714-I779 PolarHBondContact O-N 3.43Å; I715-I779 CarbonylContact C-O 3.59Å; I715-I779 WeakPolarHBondContact CA-O 3.45Å; I715-I779 HydrophobicContact CG1-CB 4.29Å; I715-I779 HydrophobicContact CG1-CD1 4.35Å; I715-I779 HydrophobicContact CG2-CB 4.38Å; I715-I779 HydrophobicContact CG2-CG2 4.48Å; F716-I779 PolarHBondContact N-O 2.87Å; V777-I779 HydrophobicContact CG1-CG1 4.12Å; I779-Y815 CarbonylContact C-O 3.5Å; I779-Y815 WeakPolarHBondContact CA-O 3.42Å; I779-Y815 HydrophobicContact CG1-CD2 4.07Å; I779-L817 HydrophobicContact CG2-CD1 3.95Å; I779-L817 HydrophobicContact CG2-CD2 4.47Å; I779-L817 HydrophobicContact CG2-CG 4.05Å
780	Q	92.3	Very high	76.3	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.9	176.1	-175.9	172.6	12	0	0	109.9	F716 S782 A783 E791 F814 Y815 L817	F716-Q780 HydrophobicContact CD1-CG 4.21Å; Q780-S782 WeakPolarHBondContact CG-O 3.34Å; Q780-A783 VanDerWaalsContact NE2-CB 3.31Å; Q780-E791 PolarHBondContact NE2-OE1 2.95Å; Q780-F814 HydrophobicContact CB-CE2 4.19Å; Q780-Y815 PolarHBondContact N-O 3.03Å; Q780-L817 PolarHBondContact O-N 2.81Å
781	I	91	Very high	76.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-84.9	-49.9	-176.5	-65.2	168.5	0	0	0	111.8	K695 I715 F716 Y726 F761 L817	K695-I781 HydrophobicContact CD-CG2 3.96Å; K695-I781 WeakPolarHBondContact CD-O 3.17Å; K695-I781 PolarHBondContact NZ-O 2.94Å; I715-I781 HydrophobicContact CG2-CD1 3.49Å; I715-I781 VanDerWaalsContact CG2-CD1 3.49Å; I715-I781 HydrophobicContact CG2-CG1 3.85Å; F716-I781 PolarHBondContact O-N 3.48Å; Y726-I781 HydrophobicContact CD1-CD1 3.43Å; Y726-I781 VanDerWaalsContact CD1-CD1 3.43Å; Y726-I781 HydrophobicContact CD1-CG1 4.38Å; Y726-I781 HydrophobicContact CE1-CD1 3.66Å; Y726-I781 HydrophobicContact CE1-CG1 4.16Å; Y726-I781 HydrophobicContact CE1-CG2 4.12Å; Y726-I781 HydrophobicContact CE2-CG2 4.42Å; Y726-I781 HydrophobicContact CG-CD1 3.91Å; F761-I781 HydrophobicContact CE1-CD1 4.08Å; I781-L817 HydrophobicContact CG1-CD1 4.47Å; I781-L817 VanDerWaalsContact O-O 3.13Å
782	S	76.9	Confident	77.4	Confident	12 Å²	12	23.4 Å²	23.4	8%	0.084	13%	0.133	C	C	.	.			trans	-123.2	145.1	178.7	64.4	0	0	0	0	107.8	D718 Q780	D718-S782 PolarHBondContact N-OG 3.21Å; Q780-S782 WeakPolarHBondContact CG-O 3.34Å
783	A	65.9	Low	77.5	Confident	11 Å²	11	23.2 Å²	23.2	9%	0.091	13%	0.131	C	C	.	.			trans	-136.5	114.2	167.2	0	0	0	0	0	107.1	Q780 E791	Q780-A783 VanDerWaalsContact NE2-CB 3.31Å; A783-E791 WeakPolarHBondContact CB-OE1 3.4Å
784	H	66.1	Low	77.9	Confident	56 Å²	56	23.6 Å²	23.6	26%	0.259	13%	0.132	S	C	.	.			trans	-96.2	165.1	172.1	-154.9	50.7	0	0	0	110.2	L686 E881	L686-H784 WeakPolarHBondContact CD1-CE1 3.31Å; L686-H784 WeakPolarHBondContact CD1-NE2 3.26Å; L686-H784 VanDerWaalsContact CD2-CE1 3.4Å; L686-H784 WeakPolarHBondContact CD2-CE1 3.44Å; H784-E881 VanDerWaalsContact CB-OE1 3.25Å; H784-E881 WeakPolarHBondContact CB-OE1 3.34Å; H784-E881 IonicContact CD2-OE1 2.82Å; H784-E881 PolarHBondContact CD2-OE1 3.05Å; H784-E881 VanDerWaalsContact CD2-OE1 3.29Å; H784-E881 IonicContact CG-OE1 3.77Å
785	G	57.1	Low	78.1	Confident	29 Å²	29	17.7 Å²	17.7	30%	0.299	11%	0.105	S	C	.	.	S	Bend	trans	-55.8	162	-157	0	0	0	0	0	118.1	S787	G785-S787 PolarHBondContact O-N 3.43Å
786	G	56.8	Low	77.5	Confident	40 Å²	40	18.1 Å²	18.1	41%	0.412	11%	0.109	S	C	.	.	S	Bend	trans	71.5	6.3	155.5	0	0	0	0	0	119.5	E628	E628-G786 VanDerWaalsContact CD-C 3.43Å; E628-G786 VanDerWaalsContact OE1-C 3.27Å; E628-G786 VanDerWaalsContact OE2-C 3.29Å; E628-G786 WeakPolarHBondContact OE2-CA 3.45Å
787	S	67.5	Low	76.9	Confident	27 Å²	27	21.3 Å²	21.3	19%	0.189	12%	0.12	C	C	.	.			trans	-127.9	48.8	179.6	-145.1	0	0	0	0	115.5	G785 R789 Q790 E791	G785-S787 PolarHBondContact O-N 3.43Å; S787-R789 PolarHBondContact O-N 2.91Å; S787-Q790 PolarHBondContact O-N 3.41Å; S787-Q790 VanDerWaalsContact OG-CB 3.27Å; S787-Q790 WeakPolarHBondContact OG-CB 3.39Å; S787-Q790 WeakPolarHBondContact OG-CG 3.24Å; S787-Q790 PolarHBondContact OG-NE2 3.44Å; S787-Q790 PolarHBondContact OG-OE1 3.11Å; S787-E791 PolarHBondContact O-N 2.87Å
788	R	73.1	Confident	76.2	Confident	78 Å²	78	21.4 Å²	21.4	29%	0.294	12%	0.12	S	C	.	.	H	α-helix	trans	-45.6	-35.6	167.8	-66.2	169.2	-81.1	-174.8	-3.7	112.1	E628 A792 F834	E628-R788 IonicContact OE1-CZ 3.8Å; E628-R788 IonicContact OE1-NE 3.66Å; E628-R788 PolarHBondContact OE1-NE 2.84Å; E628-R788 VanDerWaalsContact OE1-NE 3.09Å; E628-R788 IonicContact OE1-NH2 3.48Å; E628-R788 PolarHBondContact OE1-NH2 3.23Å; R788-A792 WeakPolarHBondContact O-CB 3.33Å; R788-A792 PolarHBondContact O-N 2.91Å; R788-A792 VanDerWaalsContact O-N 3.1Å; R788-F834 HydrophobicContact CB-CB 4.41Å; R788-F834 HydrophobicContact CB-CD1 4.48Å; R788-F834 HydrophobicContact CB-CD2 4.24Å; R788-F834 HydrophobicContact CB-CG 4.11Å
789	R	71.4	Confident	75.4	Confident	16 Å²	16	21.5 Å²	21.5	6%	0.06	12%	0.121	C	C	.	.	H	α-helix	trans	-67.9	-48.7	178.9	-176.6	-116.6	-166.8	65.1	51	113	H599 T624 V626 S787 E791 A792 Q793	H599-R789 PolarHBondContact CD2-NE 3.02Å; H599-R789 VanDerWaalsContact CD2-NE 3.26Å; H599-R789 PolarHBondContact CD2-NH1 2.77Å; H599-R789 PolarHBondContact CD2-NH2 3.48Å; H599-R789 PolarHBondContact CE1-NE 2.96Å; H599-R789 PolarHBondContact ND1-NH2 2.91Å; H599-R789 PolarHBondContact NE2-NE 3.44Å; T624-R789 PolarHBondContact O-NH2 3.02Å; T624-R789 VanDerWaalsContact OG1-CG 3.27Å; T624-R789 WeakPolarHBondContact OG1-CG 3.4Å; T624-R789 PolarHBondContact OG1-NE 3.18Å; T624-R789 PolarHBondContact OG1-NH2 3.27Å; V626-R789 VanDerWaalsContact O-CZ 3.29Å; V626-R789 PolarHBondContact O-NH1 3.21Å; V626-R789 PolarHBondContact O-NH2 3.46Å; S787-R789 PolarHBondContact O-N 2.91Å; R789-E791 VanDerWaalsContact C-N 3.31Å; R789-A792 PolarHBondContact O-N 3.01Å; R789-Q793 WeakPolarHBondContact O-CG 2.9Å; R789-Q793 PolarHBondContact O-N 3.32Å; R789-Q793 VanDerWaalsContact O-N 3.08Å
790	Q	74.3	Confident	74.3	Confident	24 Å²	24	25.1 Å²	25.1	11%	0.112	13%	0.134	C	C	.	.	H	α-helix	trans	-64.2	-40.4	177.4	-71.7	173.4	12.3	0	0	110.4	S787 A792 Q793 R794 D889	S787-Q790 PolarHBondContact O-N 3.41Å; S787-Q790 VanDerWaalsContact OG-CB 3.27Å; S787-Q790 WeakPolarHBondContact OG-CB 3.39Å; S787-Q790 WeakPolarHBondContact OG-CG 3.24Å; S787-Q790 PolarHBondContact OG-NE2 3.44Å; S787-Q790 PolarHBondContact OG-OE1 3.11Å; Q790-A792 PolarHBondContact O-N 3.08Å; Q790-Q793 PolarHBondContact O-N 2.78Å; Q790-R794 VanDerWaalsContact O-CB 3.29Å; Q790-R794 WeakPolarHBondContact O-CB 3.44Å; Q790-R794 PolarHBondContact O-N 3.49Å; Q790-D889 PolarHBondContact NE2-OD2 2.9Å
791	E	77.5	Confident	73	Confident	23 Å²	23	27.2 Å²	27.2	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-45.8	176.2	-67.7	-177.9	158.3	0	0	112.6	Q780 A783 S787 R789 R794 L795 R831	Q780-E791 PolarHBondContact NE2-OE1 2.95Å; A783-E791 WeakPolarHBondContact CB-OE1 3.4Å; S787-E791 PolarHBondContact O-N 2.87Å; R789-E791 VanDerWaalsContact C-N 3.31Å; E791-R794 PolarHBondContact O-N 3.38Å; E791-L795 VanDerWaalsContact O-CB 3.31Å; E791-L795 WeakPolarHBondContact O-CB 3.39Å; E791-L795 PolarHBondContact O-N 3.16Å; E791-R831 IonicContact OE1-CZ 3.83Å; E791-R831 IonicContact OE1-NE 2.86Å; E791-R831 PolarHBondContact OE1-NE 2.91Å; E791-R831 IonicContact OE1-NH2 3.48Å; E791-R831 PolarHBondContact OE1-NH2 3.48Å; E791-R831 IonicContact OE2-CZ 3.91Å; E791-R831 IonicContact OE2-NE 2.92Å; E791-R831 PolarHBondContact OE2-NE 3.41Å; E791-R831 IonicContact OE2-NH2 3Å; E791-R831 PolarHBondContact OE2-NH2 3.03Å
792	A	76.1	Confident	71.8	Confident	5 Å²	5	30 Å²	30	4%	0.041	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-38.8	178.1	0	0	0	0	0	112.8	R788 R789 Q790 G796 F834	R788-A792 WeakPolarHBondContact O-CB 3.33Å; R788-A792 PolarHBondContact O-N 2.91Å; R788-A792 VanDerWaalsContact O-N 3.1Å; R789-A792 PolarHBondContact O-N 3.01Å; Q790-A792 PolarHBondContact O-N 3.08Å; A792-G796 PolarHBondContact O-N 2.86Å; A792-F834 HydrophobicContact CB-CD1 4.44Å; A792-F834 HydrophobicContact CB-CE1 3.46Å; A792-F834 VanDerWaalsContact CB-CE1 3.46Å; A792-F834 HydrophobicContact CB-CZ 4.04Å
793	Q	77.1	Confident	71.2	Confident	15 Å²	15	40.8 Å²	40.8	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-45.3	173.7	-71	-168.8	2.9	0	0	111.5	E597 A623 T624 R789 Q790 L795 G796 R797	E597-Q793 PolarHBondContact OE2-NE2 3.27Å; A623-Q793 HydrophobicContact CB-CG 4.02Å; T624-Q793 HydrophobicContact CG2-CG 4.32Å; T624-Q793 PolarHBondContact OG1-NE2 3.05Å; T624-Q793 VanDerWaalsContact OG1-NE2 3.1Å; R789-Q793 WeakPolarHBondContact O-CG 2.9Å; R789-Q793 PolarHBondContact O-N 3.32Å; R789-Q793 VanDerWaalsContact O-N 3.08Å; Q790-Q793 PolarHBondContact O-N 2.78Å; Q793-L795 PolarHBondContact O-N 2.84Å; Q793-G796 PolarHBondContact O-N 2.84Å; Q793-R797 WeakPolarHBondContact O-CB 3.31Å; Q793-R797 VanDerWaalsContact O-CG 3.26Å; Q793-R797 WeakPolarHBondContact O-CG 3.47Å; Q793-R797 PolarHBondContact O-N 3Å
794	R	81.2	Confident	71	Confident	12 Å²	12	43.8 Å²	43.8	5%	0.045	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-49	176.1	-174.3	-167.3	-59	153.8	-1	110.9	F716 D718 D767 Q790 E791 G796 R797 I798	F716-R794 VanDerWaalsContact CZ-NH1 3.29Å; D718-R794 IonicContact OD1-NH2 3.27Å; D767-R794 VanDerWaalsContact CG-NH2 3.28Å; D767-R794 IonicContact OD1-CZ 3.14Å; D767-R794 IonicContact OD1-NE 3.32Å; D767-R794 PolarHBondContact OD1-NE 3.22Å; D767-R794 IonicContact OD1-NH2 3.29Å; D767-R794 PolarHBondContact OD1-NH2 3.26Å; D767-R794 IonicContact OD2-CZ 2.63Å; D767-R794 IonicContact OD2-NE 3.57Å; D767-R794 IonicContact OD2-NH2 3.64Å; D767-R794 PolarHBondContact OD2-NH2 3Å; Q790-R794 VanDerWaalsContact O-CB 3.29Å; Q790-R794 WeakPolarHBondContact O-CB 3.44Å; Q790-R794 PolarHBondContact O-N 3.49Å; E791-R794 PolarHBondContact O-N 3.38Å; R794-G796 PolarHBondContact O-N 2.81Å; R794-R797 PolarHBondContact O-N 3.49Å; R794-I798 HydrophobicContact CG-CD1 3.64Å; R794-I798 HydrophobicContact CG-CG1 4.49Å; R794-I798 WeakPolarHBondContact O-CB 3.31Å; R794-I798 WeakPolarHBondContact O-CG1 3.44Å; R794-I798 PolarHBondContact O-N 3.07Å
795	L	80.5	Confident	70.7	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-56.1	-49	176.6	-174.5	156.7	0	0	0	111.1	V660 E791 Q793 R797 L799 F814 Y840	V660-L795 HydrophobicContact CG1-CD2 4.34Å; V660-L795 HydrophobicContact CG2-CD2 4.27Å; E791-L795 VanDerWaalsContact O-CB 3.31Å; E791-L795 WeakPolarHBondContact O-CB 3.39Å; E791-L795 PolarHBondContact O-N 3.16Å; Q793-L795 PolarHBondContact O-N 2.84Å; L795-R797 PolarHBondContact O-N 2.98Å; L795-L799 HydrophobicContact CD2-CD1 3.83Å; L795-L799 HydrophobicContact CG-CD1 3.72Å; L795-L799 WeakPolarHBondContact O-CB 3.32Å; L795-L799 WeakPolarHBondContact O-CG 3.44Å; L795-L799 PolarHBondContact O-N 3.47Å; L795-F814 HydrophobicContact CD1-CB 3.95Å; L795-F814 HydrophobicContact CD1-CD1 3.55Å; L795-F814 HydrophobicContact CD1-CD2 4.12Å; L795-F814 HydrophobicContact CD1-CE1 4.03Å; L795-F814 HydrophobicContact CD1-CG 3.6Å; L795-F814 HydrophobicContact CD1-CZ 4.49Å; L795-F814 HydrophobicContact CG-CG 4.48Å; L795-Y840 HydrophobicContact CD2-CE1 3.72Å; L795-Y840 WeakPolarHBondContact CD2-OH 3.38Å
796	G	74.4	Confident	70.8	Confident	9 Å²	9	48.2 Å²	48.2	9%	0.093	25%	0.253	C	S	.	.	H	α-helix	trans	-70.9	-26.1	179.4	0	0	0	0	0	114.9	A792 Q793 R794 R800	A792-G796 PolarHBondContact O-N 2.86Å; Q793-G796 PolarHBondContact O-N 2.84Å; R794-G796 PolarHBondContact O-N 2.81Å; G796-R800 PolarHBondContact O-NH1 3.15Å
797	R	75.7	Confident	70.8	Confident	81 Å²	81	51.4 Å²	51.4	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-74.8	-45.6	176	-74.8	176	-174.8	-179.8	3.1	111.3	C496 E597 D767 Q793 R794 L795 R800	C496-R797 HydrophobicContact CB-CB 4.48Å; C496-R797 HydrophobicContact CB-CG 3.64Å; E597-R797 IonicContact OE1-NH2 3.9Å; E597-R797 PolarHBondContact OE1-NH2 3.24Å; D767-R797 PolarHBondContact O-NH1 3.23Å; Q793-R797 WeakPolarHBondContact O-CB 3.31Å; Q793-R797 VanDerWaalsContact O-CG 3.26Å; Q793-R797 WeakPolarHBondContact O-CG 3.47Å; Q793-R797 PolarHBondContact O-N 3Å; R794-R797 PolarHBondContact O-N 3.49Å; L795-R797 PolarHBondContact O-N 2.98Å; R797-R800 PolarHBondContact O-NH1 2.94Å; R797-R800 PolarHBondContact O-NH2 3.48Å
798	I	78.1	Confident	70.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-79.3	-45.4	-172.2	-67.1	176.1	0	0	0	112.1	I714 L772 A775 L778 R794 R800	I714-I798 HydrophobicContact CD1-CG2 3.86Å; I714-I798 HydrophobicContact CG2-CD1 4.46Å; L772-I798 HydrophobicContact CD1-CD1 3.93Å; L772-I798 HydrophobicContact CD1-CG1 4.03Å; A775-I798 HydrophobicContact CB-CG2 3.76Å; A775-I798 PolarHBondContact N-O 3.35Å; A775-I798 VanDerWaalsContact N-O 3.11Å; L778-I798 HydrophobicContact CD1-CD1 3.95Å; L778-I798 HydrophobicContact CD2-CD1 4.38Å; R794-I798 HydrophobicContact CG-CD1 3.64Å; R794-I798 HydrophobicContact CG-CG1 4.49Å; R794-I798 WeakPolarHBondContact O-CB 3.31Å; R794-I798 WeakPolarHBondContact O-CG1 3.44Å; R794-I798 PolarHBondContact O-N 3.07Å; I798-R800 PolarHBondContact O-N 3.24Å
799	L	75.4	Confident	70.3	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.026	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-76.7	126	-171.2	-64	179.3	0	0	0	111.4	V660 A775 L778 L795 A812 F814	V660-L799 HydrophobicContact CB-CD1 4.23Å; V660-L799 HydrophobicContact CG1-CD1 3.48Å; V660-L799 VanDerWaalsContact CG1-CD1 3.48Å; V660-L799 HydrophobicContact CG2-CB 4.28Å; V660-L799 HydrophobicContact CG2-CD1 3.65Å; A775-L799 WeakPolarHBondContact O-CA 3.27Å; L778-L799 HydrophobicContact CB-CD2 3.99Å; L795-L799 HydrophobicContact CD2-CD1 3.83Å; L795-L799 HydrophobicContact CG-CD1 3.72Å; L795-L799 WeakPolarHBondContact O-CB 3.32Å; L795-L799 WeakPolarHBondContact O-CG 3.44Å; L795-L799 PolarHBondContact O-N 3.47Å; L799-A812 HydrophobicContact CB-CB 4.27Å; L799-A812 HydrophobicContact CD1-CB 4.45Å; L799-A812 HydrophobicContact CD2-CB 4.36Å; L799-F814 HydrophobicContact CD1-CB 4.29Å
800	R	72.9	Confident	70.3	Confident	76 Å²	76	58 Å²	58	29%	0.287	32%	0.316	S	S	.	.			trans	-134.4	152.1	174.8	-67.7	-72.8	-175.2	-85.7	-9	109.8	E774 A775 G796 R797 I798 K802	E774-R800 HydrophobicContact CB-CB 4.02Å; E774-R800 HydrophobicContact CB-CG 3.89Å; E774-R800 HydrophobicContact CG-CB 4.33Å; E774-R800 HydrophobicContact CG-CG 3.78Å; E774-R800 IonicContact OE1-NE 2.6Å; A775-R800 PolarHBondContact O-N 2.95Å; A775-R800 VanDerWaalsContact O-N 3.16Å; G796-R800 PolarHBondContact O-NH1 3.15Å; R797-R800 PolarHBondContact O-NH1 2.94Å; R797-R800 PolarHBondContact O-NH2 3.48Å; I798-R800 PolarHBondContact O-N 3.24Å; R800-K802 PolarHBondContact O-N 3.43Å
801	A	63.8	Low	70.5	Confident	47 Å²	47	57.7 Å²	57.7	39%	0.388	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.6	132.3	-179.7	0	0	0	0	0	110.1	A658 R803 N811	A658-A801 HydrophobicContact CB-CB 4.09Å; A801-R803 PolarHBondContact O-N 3.5Å; A801-N811 WeakPolarHBondContact CB-ND2 3.45Å
802	K	66.3	Low	71	Confident	59 Å²	59	56.6 Å²	56.6	26%	0.257	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-66.3	123.6	169.1	-161.7	-173.9	-163.6	164.9	0	108.9	R709 D711 T776 R800 G804 M805	R709-K802 PolarHBondContact O-NZ 3.47Å; D711-K802 IonicContact OD1-NZ 3.89Å; D711-K802 PolarHBondContact OD1-NZ 2.9Å; T776-K802 HydrophobicContact CG2-CB 4.42Å; R800-K802 PolarHBondContact O-N 3.43Å; K802-G804 PolarHBondContact O-N 3.09Å; K802-M805 HydrophobicContact CB-CG 4.41Å; K802-M805 HydrophobicContact CB-SD 3.9Å; K802-M805 HydrophobicContact CD-CG 3.98Å; K802-M805 HydrophobicContact CD-SD 3.24Å; K802-M805 WeakPolarHBondContact CD-SD 3.4Å; K802-M805 HydrophobicContact CG-SD 4.16Å; K802-M805 PolarHBondContact O-N 3.23Å
803	R	64.1	Low	71.7	Confident	239 Å²	239	58 Å²	58	90%	0.902	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	122.4	174.7	-64.4	-174.6	-176.6	-179.4	1.7	109	A801	A801-R803 PolarHBondContact O-N 3.5Å
804	G	60.9	Low	72.4	Confident	73 Å²	73	57.6 Å²	57.6	75%	0.753	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	4.4	174.8	0	0	0	0	0	116.8	K802	K802-G804 PolarHBondContact O-N 3.09Å
805	M	61	Low	73.1	Confident	30 Å²	30	57.9 Å²	57.9	15%	0.148	31%	0.314	C	S	.	.			trans	-100.4	26	175.2	-80.3	179.1	79.8	0	0	113.9	K802 A807 E808 N811	K802-M805 HydrophobicContact CB-CG 4.41Å; K802-M805 HydrophobicContact CB-SD 3.9Å; K802-M805 HydrophobicContact CD-CG 3.98Å; K802-M805 HydrophobicContact CD-SD 3.24Å; K802-M805 WeakPolarHBondContact CD-SD 3.4Å; K802-M805 HydrophobicContact CG-SD 4.16Å; K802-M805 PolarHBondContact O-N 3.23Å; M805-A807 PolarHBondContact O-N 3.3Å; M805-E808 HydrophobicContact CE-CB 4.15Å; M805-E808 HydrophobicContact CE-CG 4Å; M805-E808 WeakPolarHBondContact CE-OE1 3.3Å; M805-E808 WeakPolarHBondContact CE-OE2 3.41Å; M805-E808 PolarHBondContact O-N 2.97Å; M805-N811 HydrophobicContact CB-CB 4.44Å
806	D	58.7	Low	73.7	Confident	149 Å²	149	57.9 Å²	57.9	80%	0.797	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.1	-175.6	-62.4	-26.2	0	0	0	114
807	A	57.6	Low	74.6	Confident	107 Å²	107	57.6 Å²	57.6	88%	0.884	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-20.6	176.9	0	0	0	0	0	114.5	M805	M805-A807 PolarHBondContact O-N 3.3Å
808	E	62.2	Low	75.5	Confident	109 Å²	109	53.9 Å²	53.9	51%	0.509	30%	0.297	S	S	.	.	S	Bend	trans	-85.6	142.5	-180	-70.8	-167.9	-161	0	0	111.5	M805 Y810	M805-E808 HydrophobicContact CE-CB 4.15Å; M805-E808 HydrophobicContact CE-CG 4Å; M805-E808 WeakPolarHBondContact CE-OE1 3.3Å; M805-E808 WeakPolarHBondContact CE-OE2 3.41Å; M805-E808 PolarHBondContact O-N 2.97Å; E808-Y810 PolarHBondContact O-N 2.88Å
809	A	66.9	Low	76.2	Confident	67 Å²	67	53.8 Å²	53.8	55%	0.554	30%	0.297	S	S	*	.	S	Bend	trans	-59	-31.6	-178.5	0	0	0	0	0	112.8	R659	R659-A809 WeakPolarHBondContact CD-O 3.29Å
810	Y	71.2	Confident	77.1	Confident	82 Å²	82	55.7 Å²	55.7	32%	0.322	31%	0.306	S	S	.	.			trans	-133.7	138.4	179.3	-58.3	-81.6	0	0	0	110.1	R659 Q661 E808 S841	R659-Y810 HydrophobicContact CB-CD1 4.38Å; Q661-Y810 HydrophobicContact CB-CD1 3.94Å; Q661-Y810 HydrophobicContact CB-CE1 4.46Å; Q661-Y810 HydrophobicContact CB-CG 3.98Å; E808-Y810 PolarHBondContact O-N 2.88Å; Y810-S841 PolarHBondContact OH-OG 2.88Å
811	N	78.8	Confident	78	Confident	19 Å²	19	57.2 Å²	57.2	10%	0.102	32%	0.319	C	S	.	.	S	Bend	trans	-125.7	9.2	-175.9	62.7	1.4	0	0	0	113.4	R659 T776 A801 M805	R659-N811 PolarHBondContact N-OD1 3.1Å; R659-N811 PolarHBondContact O-N 2.91Å; R659-N811 PolarHBondContact O-OD1 2.87Å; T776-N811 WeakPolarHBondContact CG2-O 3.38Å; A801-N811 WeakPolarHBondContact CB-ND2 3.45Å; M805-N811 HydrophobicContact CB-CB 4.44Å
812	A	87.7	Confident	79.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.8	171.4	0	0	0	0	0	110.5	A658 R659 V660 Q661 T776 L799	A658-A812 HydrophobicContact CB-CB 3.9Å; R659-A812 PolarHBondContact O-N 3.33Å; V660-A812 WeakPolarHBondContact CA-O 3.3Å; V660-A812 HydrophobicContact CG2-CB 4.04Å; Q661-A812 PolarHBondContact N-O 3.47Å; T776-A812 CarbonylContact O-C 3.46Å; T776-A812 WeakPolarHBondContact O-CA 3.25Å; L799-A812 HydrophobicContact CB-CB 4.27Å; L799-A812 HydrophobicContact CD1-CB 4.45Å; L799-A812 HydrophobicContact CD2-CB 4.36Å
813	F	91	Very high	80.2	Confident	34 Å²	34	55.9 Å²	55.9	15%	0.149	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	-175	-58.6	-85.5	0	0	0	111.5	Q661 H706 T776 V777 L778 Y815	Q661-F813 HydrophobicContact CB-CD1 4.12Å; Q661-F813 HydrophobicContact CB-CE1 4.44Å; H706-F813 AromaticContact CE1-CD2 3.63Å; H706-F813 AromaticContact CE1-CG 3.97Å; T776-F813 PolarHBondContact O-N 2.86Å; V777-F813 WeakPolarHBondContact CA-O 3.45Å; V777-F813 HydrophobicContact CG1-CB 4.44Å; V777-F813 HydrophobicContact CG2-CB 4.36Å; V777-F813 HydrophobicContact CG2-CD2 4.25Å; L778-F813 PolarHBondContact N-O 3.27Å; F813-Y815 HydrophobicContact CB-CD2 4.45Å; F813-Y815 HydrophobicContact CB-CE2 3.74Å
814	F	92.5	Very high	81.3	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.8	172.6	172.3	-120.7	0	0	0	109.6	V660 Q661 C662 A663 L778 Q780 L795 L799 L835	V660-F814 HydrophobicContact CG1-CB 4.01Å; Q661-F814 PolarHBondContact O-N 2.88Å; C662-F814 CarbonylContact C-O 3.58Å; C662-F814 WeakPolarHBondContact CA-O 3.47Å; C662-F814 HydrophobicContact CB-CD1 4.05Å; A663-F814 PolarHBondContact N-O 3.41Å; L778-F814 HydrophobicContact CB-CD2 4.08Å; L778-F814 HydrophobicContact CD2-CD2 3.76Å; L778-F814 HydrophobicContact CD2-CE2 3.95Å; L778-F814 HydrophobicContact CG-CD2 3.88Å; L778-F814 HydrophobicContact CG-CE2 4.18Å; L778-F814 CarbonylContact O-C 3.5Å; L778-F814 WeakPolarHBondContact O-CA 3.03Å; Q780-F814 HydrophobicContact CB-CE2 4.19Å; L795-F814 HydrophobicContact CD1-CB 3.95Å; L795-F814 HydrophobicContact CD1-CD1 3.55Å; L795-F814 HydrophobicContact CD1-CD2 4.12Å; L795-F814 HydrophobicContact CD1-CE1 4.03Å; L795-F814 HydrophobicContact CD1-CG 3.6Å; L795-F814 HydrophobicContact CD1-CZ 4.49Å; L795-F814 HydrophobicContact CG-CG 4.48Å; L799-F814 HydrophobicContact CD1-CB 4.29Å; F814-L835 HydrophobicContact CE1-CD1 4.09Å
815	Y	94.3	Very high	82.6	Confident	19 Å²	19	44.7 Å²	44.7	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.7	176.2	-60.8	-78.2	0	0	0	110.7	A663 V665 L702 H706 V777 L778 I779 Q780 F813	A663-Y815 HydrophobicContact CB-CD1 3.66Å; A663-Y815 HydrophobicContact CB-CE1 3.85Å; A663-Y815 CarbonylContact O-C 3.6Å; A663-Y815 VanDerWaalsContact O-CA 3.27Å; A663-Y815 WeakPolarHBondContact O-CA 3.34Å; V665-Y815 HydrophobicContact CG2-CD1 4.01Å; L702-Y815 HydrophobicContact CD1-CD1 4.12Å; L702-Y815 HydrophobicContact CD1-CD2 4.24Å; L702-Y815 HydrophobicContact CD1-CG 3.88Å; L702-Y815 HydrophobicContact CD2-CD1 4.3Å; L702-Y815 HydrophobicContact CD2-CE1 4.05Å; L702-Y815 HydrophobicContact CD2-CE2 4.33Å; H706-Y815 AromaticContact CD2-CE2 3.9Å; H706-Y815 AromaticContact NE2-CE2 3.27Å; H706-Y815 VanDerWaalsContact NE2-CE2 3.27Å; H706-Y815 WeakPolarHBondContact NE2-CE2 3.47Å; H706-Y815 AromaticContact NE2-CZ 3.55Å; H706-Y815 PolarHBondContact NE2-OH 3.41Å; V777-Y815 HydrophobicContact CG1-CD2 3.96Å; V777-Y815 HydrophobicContact CG1-CE2 3.89Å; L778-Y815 PolarHBondContact O-N 3.42Å; I779-Y815 CarbonylContact C-O 3.5Å; I779-Y815 WeakPolarHBondContact CA-O 3.42Å; I779-Y815 HydrophobicContact CG1-CD2 4.07Å; Q780-Y815 PolarHBondContact N-O 3.03Å; F813-Y815 HydrophobicContact CB-CD2 4.45Å; F813-Y815 HydrophobicContact CB-CE2 3.74Å
816	S	93.2	Very high	83.8	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.6	170.2	-168.8	0	0	0	0	108.8	A663 E664 V665 R831	A663-S816 PolarHBondContact O-N 3.06Å; E664-S816 WeakPolarHBondContact CA-O 3.31Å; V665-S816 PolarHBondContact N-O 3.38Å; S816-R831 PolarHBondContact OG-NH1 2.98Å
817	L	94.8	Very high	85.1	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.7	-178.7	-51.8	-173.9	0	0	0	110	V665 K695 V698 C699 L702 I779 Q780 I781	V665-L817 HydrophobicContact CB-CD2 3.84Å; V665-L817 HydrophobicContact CG2-CD2 4.18Å; K695-L817 HydrophobicContact CD-CB 4.16Å; K695-L817 WeakPolarHBondContact CE-O 3.37Å; K695-L817 HydrophobicContact CG-CB 3.85Å; K695-L817 HydrophobicContact CG-CD1 4.05Å; K695-L817 PolarHBondContact NZ-O 3.25Å; V698-L817 HydrophobicContact CG1-CD1 4.41Å; V698-L817 HydrophobicContact CG1-CD2 3.59Å; C699-L817 HydrophobicContact CB-CD1 3.75Å; L702-L817 HydrophobicContact CD1-CD2 3.94Å; I779-L817 HydrophobicContact CG2-CD1 3.95Å; I779-L817 HydrophobicContact CG2-CD2 4.47Å; I779-L817 HydrophobicContact CG2-CG 4.05Å; Q780-L817 PolarHBondContact O-N 2.81Å; I781-L817 HydrophobicContact CG1-CD1 4.47Å; I781-L817 VanDerWaalsContact O-O 3.13Å
818	V	93.8	Very high	86.5	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.2	-172.7	179.7	0	0	0	0	109.8	E664 V665 C667 E824 M825 A828	E664-V818 HydrophobicContact CG-CB 4.39Å; E664-V818 HydrophobicContact CG-CG2 3.69Å; E664-V818 WeakPolarHBondContact OE1-CG2 3.25Å; V665-V818 PolarHBondContact O-N 3.03Å; C667-V818 PolarHBondContact N-O 2.76Å; V818-E824 HydrophobicContact CG1-CB 3.98Å; V818-M825 HydrophobicContact CG1-CG 4.16Å; V818-A828 HydrophobicContact CG1-CB 4.19Å; V818-A828 HydrophobicContact CG2-CB 3.94Å
819	S	93.9	Very high	87.7	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	120.7	173.2	-76.9	0	0	0	0	110	C667 T689 N692 K695 T822 E824	C667-S819 WeakPolarHBondContact O-CA 3.34Å; T689-S819 PolarHBondContact O-OG 3.44Å; N692-S819 PolarHBondContact ND2-OG 2.63Å; K695-S819 WeakPolarHBondContact CE-OG 3.37Å; K695-S819 PolarHBondContact NZ-OG 2.86Å; S819-T822 PolarHBondContact O-OG1 3.39Å; S819-E824 PolarHBondContact N-OE2 3.31Å
820	Q	93.1	Very high	88.5	Confident	45 Å²	45	40.5 Å²	40.5	21%	0.21	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	150.9	-179.9	-67.2	-176.3	-41.7	0	0	112.1	W666 C667 V669 T822	W666-Q820 HydrophobicContact CB-CG 3.87Å; W666-Q820 HydrophobicContact CG-CG 4.37Å; C667-Q820 PolarHBondContact O-N 3Å; V669-Q820 VanDerWaalsContact CG2-O 3.31Å; V669-Q820 WeakPolarHBondContact CG2-O 3.46Å; Q820-T822 WeakPolarHBondContact O-CG2 3.44Å; Q820-T822 PolarHBondContact O-N 2.74Å
821	D	91.5	Very high	89.2	Confident	108 Å²	108	37 Å²	37	58%	0.578	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	27.4	178.8	-49.6	-44.3	0	0	0	114	Y674 M825	Y674-D821 HydrophobicContact CE2-CB 3.84Å; D821-M825 PolarHBondContact N-SD 3.16Å
822	T	90	Very high	89.6	Confident	10 Å²	10	39.2 Å²	39.2	6%	0.061	19%	0.188	C	C	.	.	S	Bend	trans	-122.5	169.4	177.4	73.6	0	0	0	0	112.3	V669 Y677 T689 S819 Q820 E824 M825	V669-T822 HydrophobicContact CG2-CG2 3.95Å; Y677-T822 HydrophobicContact CD2-CG2 4.45Å; Y677-T822 HydrophobicContact CE1-CG2 4.12Å; Y677-T822 HydrophobicContact CE2-CG2 4.02Å; Y677-T822 WeakPolarHBondContact OH-CA 3.31Å; T689-T822 HydrophobicContact CG2-CG2 3.72Å; S819-T822 PolarHBondContact O-OG1 3.39Å; Q820-T822 WeakPolarHBondContact O-CG2 3.44Å; Q820-T822 PolarHBondContact O-N 2.74Å; T822-E824 PolarHBondContact O-N 3.1Å; T822-E824 VanDerWaalsContact O-N 3.07Å; T822-E824 WeakPolarHBondContact OG1-CB 3.33Å; T822-E824 PolarHBondContact OG1-N 2.87Å; T822-M825 WeakPolarHBondContact O-CB 3.21Å; T822-M825 PolarHBondContact O-N 3.08Å
823	M	86	Confident	89.4	Confident	67 Å²	67	45.3 Å²	45.3	33%	0.33	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.3	174.5	-68.9	171.6	67.5	0	0	112.7	Y677 K685 M825 Q826 Y827	Y677-M823 PolarHBondContact OH-N 3.3Å; K685-M823 HydrophobicContact CD-SD 4.47Å; M823-M825 PolarHBondContact O-N 3.03Å; M823-Q826 PolarHBondContact O-N 3.38Å; M823-Y827 HydrophobicContact CB-CE2 4.37Å; M823-Y827 VanDerWaalsContact O-CD2 3.32Å; M823-Y827 WeakPolarHBondContact O-CD2 3.43Å; M823-Y827 PolarHBondContact O-N 2.89Å
824	E	87.9	Confident	88.9	Confident	13 Å²	13	44.5 Å²	44.5	6%	0.061	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-27.6	175.2	-64.9	-176.3	175.5	0	0	113	T689 K695 V818 S819 T822 Y827 A828	T689-E824 WeakPolarHBondContact CB-OE1 3.5Å; T689-E824 PolarHBondContact OG1-OE1 2.97Å; K695-E824 IonicContact NZ-OE1 3.99Å; K695-E824 PolarHBondContact NZ-OE1 2.84Å; K695-E824 IonicContact NZ-OE2 3.27Å; K695-E824 PolarHBondContact NZ-OE2 3.48Å; V818-E824 HydrophobicContact CG1-CB 3.98Å; S819-E824 PolarHBondContact N-OE2 3.31Å; T822-E824 PolarHBondContact O-N 3.1Å; T822-E824 VanDerWaalsContact O-N 3.07Å; T822-E824 WeakPolarHBondContact OG1-CB 3.33Å; T822-E824 PolarHBondContact OG1-N 2.87Å; E824-Y827 PolarHBondContact O-N 3.48Å; E824-A828 VanDerWaalsContact O-CB 3.32Å; E824-A828 WeakPolarHBondContact O-CB 3.19Å; E824-A828 PolarHBondContact O-N 2.92Å
825	M	88.6	Confident	88.4	Confident	64 Å²	64	44.5 Å²	44.5	32%	0.315	21%	0.208	S	C	.	.	H	α-helix	trans	-66.6	-37.7	178.2	-69.6	-170.5	70.1	0	0	112.5	W666 V818 D821 T822 M823 A828 L829	W666-M825 HydrophobicContact CH2-CE 4.46Å; W666-M825 HydrophobicContact CZ2-CE 4.37Å; V818-M825 HydrophobicContact CG1-CG 4.16Å; D821-M825 PolarHBondContact N-SD 3.16Å; T822-M825 WeakPolarHBondContact O-CB 3.21Å; T822-M825 PolarHBondContact O-N 3.08Å; M823-M825 PolarHBondContact O-N 3.03Å; M825-A828 PolarHBondContact O-N 3.47Å; M825-L829 PolarHBondContact O-N 2.85Å
826	Q	86.2	Confident	87.8	Confident	131 Å²	131	46.4 Å²	46.4	61%	0.612	22%	0.221	S	C	*	.	H	α-helix	trans	-65.3	-43.5	176.4	-68	176.9	-18.4	0	0	110.7	M823 A828 L829 K830	M823-Q826 PolarHBondContact O-N 3.38Å; Q826-A828 VanDerWaalsContact C-N 3.34Å; Q826-A828 PolarHBondContact O-N 3.28Å; Q826-L829 PolarHBondContact O-N 3.4Å; Q826-K830 PolarHBondContact O-N 2.97Å
827	Y	85.6	Confident	87	Confident	50 Å²	50	49.2 Å²	49.2	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-37.5	174.9	-59.7	-53.2	0	0	0	112.2	M823 E824 K830 R831	M823-Y827 HydrophobicContact CB-CE2 4.37Å; M823-Y827 VanDerWaalsContact O-CD2 3.32Å; M823-Y827 WeakPolarHBondContact O-CD2 3.43Å; M823-Y827 PolarHBondContact O-N 2.89Å; E824-Y827 PolarHBondContact O-N 3.48Å; Y827-K830 PolarHBondContact O-N 3.31Å; Y827-R831 WeakPolarHBondContact O-CB 3.5Å; Y827-R831 PolarHBondContact O-N 2.59Å
828	A	87.3	Confident	86	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-41.6	176.7	0	0	0	0	0	112.1	E664 V818 E824 M825 Q826 R831 Q832	E664-A828 VanDerWaalsContact OE1-CB 3.26Å; E664-A828 WeakPolarHBondContact OE1-CB 3.18Å; V818-A828 HydrophobicContact CG1-CB 4.19Å; V818-A828 HydrophobicContact CG2-CB 3.94Å; E824-A828 VanDerWaalsContact O-CB 3.32Å; E824-A828 WeakPolarHBondContact O-CB 3.19Å; E824-A828 PolarHBondContact O-N 2.92Å; M825-A828 PolarHBondContact O-N 3.47Å; Q826-A828 VanDerWaalsContact C-N 3.34Å; Q826-A828 PolarHBondContact O-N 3.28Å; A828-R831 WeakPolarHBondContact O-CB 3.26Å; A828-R831 PolarHBondContact O-N 2.96Å; A828-Q832 WeakPolarHBondContact O-CB 3.5Å; A828-Q832 PolarHBondContact O-N 2.9Å
829	L	87.8	Confident	85	Confident	115 Å²	115	52.4 Å²	52.4	60%	0.602	26%	0.258	S	S	*	.	H	α-helix	trans	-61.4	-46.4	175	-173.3	68.6	0	0	0	111.7	M825 Q826 R831 Q832 R833	M825-L829 PolarHBondContact O-N 2.85Å; Q826-L829 PolarHBondContact O-N 3.4Å; L829-R831 VanDerWaalsContact C-N 3.31Å; L829-R831 PolarHBondContact O-N 3.17Å; L829-Q832 PolarHBondContact O-N 3.1Å; L829-R833 PolarHBondContact O-N 3.2Å
830	K	83.5	Confident	84.3	Confident	77 Å²	77	53.2 Å²	53.2	34%	0.335	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-40.3	175.4	-69.9	-175.9	179.8	-177.1	0	111.2	D90 Q826 Y827 F834	D90-K830 IonicContact OD2-NZ 3.94Å; D90-K830 PolarHBondContact OD2-NZ 2.92Å; Q826-K830 PolarHBondContact O-N 2.97Å; Y827-K830 PolarHBondContact O-N 3.31Å; K830-F834 PolarHBondContact O-N 2.89Å
831	R	85.2	Confident	83.8	Confident	10 Å²	10	53 Å²	53	4%	0.038	27%	0.265	C	S	.	.	H	α-helix	trans	-67.4	-45.3	175.5	179.7	-169.4	-62.1	108.7	25.9	112.4	E791 S816 Y827 A828 L829 F834 L835	E791-R831 IonicContact OE1-CZ 3.83Å; E791-R831 IonicContact OE1-NE 2.86Å; E791-R831 PolarHBondContact OE1-NE 2.91Å; E791-R831 IonicContact OE1-NH2 3.48Å; E791-R831 PolarHBondContact OE1-NH2 3.48Å; E791-R831 IonicContact OE2-CZ 3.91Å; E791-R831 IonicContact OE2-NE 2.92Å; E791-R831 PolarHBondContact OE2-NE 3.41Å; E791-R831 IonicContact OE2-NH2 3Å; E791-R831 PolarHBondContact OE2-NH2 3.03Å; S816-R831 PolarHBondContact OG-NH1 2.98Å; Y827-R831 WeakPolarHBondContact O-CB 3.5Å; Y827-R831 PolarHBondContact O-N 2.59Å; A828-R831 WeakPolarHBondContact O-CB 3.26Å; A828-R831 PolarHBondContact O-N 2.96Å; L829-R831 VanDerWaalsContact C-N 3.31Å; L829-R831 PolarHBondContact O-N 3.17Å; R831-F834 WeakPolarHBondContact O-CB 3.38Å; R831-F834 PolarHBondContact O-N 3.49Å; R831-L835 HydrophobicContact CG-CD1 3.87Å; R831-L835 HydrophobicContact CG-CG 4.34Å; R831-L835 PolarHBondContact O-N 3.03Å
832	Q	87.5	Confident	83.6	Confident	64 Å²	64	49.7 Å²	49.7	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-57.1	-51.6	178.8	177.6	-178.4	15	0	0	109.9	A828 L829 F834 L835 V836 Y842	A828-Q832 WeakPolarHBondContact O-CB 3.5Å; A828-Q832 PolarHBondContact O-N 2.9Å; L829-Q832 PolarHBondContact O-N 3.1Å; Q832-F834 VanDerWaalsContact C-N 3.27Å; Q832-F834 PolarHBondContact O-N 3.18Å; Q832-L835 PolarHBondContact O-N 3.39Å; Q832-V836 HydrophobicContact CG-CG2 4.28Å; Q832-V836 WeakPolarHBondContact O-CB 3.47Å; Q832-V836 VanDerWaalsContact O-CG2 3.25Å; Q832-V836 WeakPolarHBondContact O-CG2 3.41Å; Q832-V836 PolarHBondContact O-N 3.14Å; Q832-Y842 HydrophobicContact CB-CE1 3.94Å; Q832-Y842 HydrophobicContact CB-CE2 4.37Å; Q832-Y842 HydrophobicContact CG-CD1 3.73Å; Q832-Y842 HydrophobicContact CG-CE1 3.58Å; Q832-Y842 HydrophobicContact CG-CE2 4.48Å; Q832-Y842 HydrophobicContact CG-CG 4.23Å
833	R	83.7	Confident	83.7	Confident	129 Å²	129	55.1 Å²	55.1	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-55	-44.7	177	-171.6	174	179.6	-174	-4.2	111.3	L829 N837	L829-R833 PolarHBondContact O-N 3.2Å; R833-N837 WeakPolarHBondContact O-CB 3.39Å; R833-N837 PolarHBondContact O-N 2.9Å; R833-N837 PolarHBondContact O-ND2 3.2Å; R833-N837 PolarHBondContact O-OD1 3.46Å
834	F	80.4	Confident	84	Confident	17 Å²	17	54.4 Å²	54.4	8%	0.075	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-51	177.9	180	-86.7	0	0	0	112.9	V626 R788 A792 K830 R831 Q832 V836 N837 Q838	V626-F834 HydrophobicContact CB-CE2 4.14Å; V626-F834 HydrophobicContact CG1-CE2 4.26Å; V626-F834 HydrophobicContact CG2-CE2 3.87Å; R788-F834 HydrophobicContact CB-CB 4.41Å; R788-F834 HydrophobicContact CB-CD1 4.48Å; R788-F834 HydrophobicContact CB-CD2 4.24Å; R788-F834 HydrophobicContact CB-CG 4.11Å; A792-F834 HydrophobicContact CB-CD1 4.44Å; A792-F834 HydrophobicContact CB-CE1 3.46Å; A792-F834 VanDerWaalsContact CB-CE1 3.46Å; A792-F834 HydrophobicContact CB-CZ 4.04Å; K830-F834 PolarHBondContact O-N 2.89Å; R831-F834 WeakPolarHBondContact O-CB 3.38Å; R831-F834 PolarHBondContact O-N 3.49Å; Q832-F834 VanDerWaalsContact C-N 3.27Å; Q832-F834 PolarHBondContact O-N 3.18Å; F834-V836 PolarHBondContact O-N 3.23Å; F834-N837 PolarHBondContact O-N 2.91Å; F834-Q838 HydrophobicContact CD1-CG 4.29Å; F834-Q838 HydrophobicContact CE1-CG 3.78Å; F834-Q838 HydrophobicContact CZ-CG 4Å; F834-Q838 WeakPolarHBondContact O-CG 3.19Å; F834-Q838 PolarHBondContact O-N 2.8Å; F834-Q838 VanDerWaalsContact O-N 3.12Å
835	L	81.5	Confident	84.3	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-37.5	-177.3	-71.6	173.7	0	0	0	112.2	F814 R831 Q832 Q838 G839 Y840 Y842	F814-L835 HydrophobicContact CE1-CD1 4.09Å; R831-L835 HydrophobicContact CG-CD1 3.87Å; R831-L835 HydrophobicContact CG-CG 4.34Å; R831-L835 PolarHBondContact O-N 3.03Å; Q832-L835 PolarHBondContact O-N 3.39Å; L835-Q838 PolarHBondContact O-N 2.93Å; L835-G839 PolarHBondContact O-N 3.33Å; L835-Y840 HydrophobicContact CB-CD2 4.28Å; L835-Y840 HydrophobicContact CD2-CD2 3.69Å; L835-Y840 HydrophobicContact CD2-CE2 3.94Å; L835-Y840 HydrophobicContact CD2-CG 4.37Å; L835-Y840 WeakPolarHBondContact O-CB 3.29Å; L835-Y840 WeakPolarHBondContact O-CD2 3.32Å; L835-Y840 PolarHBondContact O-N 2.95Å; L835-Y842 HydrophobicContact CB-CD2 4.3Å; L835-Y842 HydrophobicContact CD1-CD2 4.2Å; L835-Y842 HydrophobicContact CD1-CE2 3.87Å
836	V	82.1	Confident	84.4	Confident	60 Å²	60	56.2 Å²	56.2	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-42.8	174.6	172.8	0	0	0	0	110.7	Q832 F834 Q838 G839 Y842	Q832-V836 HydrophobicContact CG-CG2 4.28Å; Q832-V836 WeakPolarHBondContact O-CB 3.47Å; Q832-V836 VanDerWaalsContact O-CG2 3.25Å; Q832-V836 WeakPolarHBondContact O-CG2 3.41Å; Q832-V836 PolarHBondContact O-N 3.14Å; F834-V836 PolarHBondContact O-N 3.23Å; V836-Q838 VanDerWaalsContact C-N 3.25Å; V836-Q838 PolarHBondContact O-N 3.19Å; V836-G839 WeakPolarHBondContact O-CA 3.48Å; V836-G839 PolarHBondContact O-N 2.79Å; V836-Y842 HydrophobicContact CG2-CG 4.45Å
837	N	76.9	Confident	84.5	Confident	61 Å²	61	60.6 Å²	60.6	33%	0.326	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-33.6	176.8	-72.6	-4.8	0	0	0	112.7	C191 R192 R833 F834 G839	C191-N837 HydrophobicContact CB-CB 4.46Å; R192-N837 PolarHBondContact N-O 2.89Å; R833-N837 WeakPolarHBondContact O-CB 3.39Å; R833-N837 PolarHBondContact O-N 2.9Å; R833-N837 PolarHBondContact O-ND2 3.2Å; R833-N837 PolarHBondContact O-OD1 3.46Å; F834-N837 PolarHBondContact O-N 2.91Å; N837-G839 PolarHBondContact O-N 3.29Å
838	Q	72.9	Confident	84.6	Confident	44 Å²	44	59.6 Å²	59.6	21%	0.206	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.1	173.5	-62.7	-57.5	-42.1	0	0	113.5	F834 L835 V836 Y840	F834-Q838 HydrophobicContact CD1-CG 4.29Å; F834-Q838 HydrophobicContact CE1-CG 3.78Å; F834-Q838 HydrophobicContact CZ-CG 4Å; F834-Q838 WeakPolarHBondContact O-CG 3.19Å; F834-Q838 PolarHBondContact O-N 2.8Å; F834-Q838 VanDerWaalsContact O-N 3.12Å; L835-Q838 PolarHBondContact O-N 2.93Å; V836-Q838 VanDerWaalsContact C-N 3.25Å; V836-Q838 PolarHBondContact O-N 3.19Å; Q838-Y840 HydrophobicContact CB-CD2 3.91Å; Q838-Y840 HydrophobicContact CB-CE2 4Å
839	G	73.8	Confident	84.5	Confident	29 Å²	29	63.9 Å²	63.9	30%	0.299	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	15.8	177.2	0	0	0	0	0	115.4	L835 V836 N837	L835-G839 PolarHBondContact O-N 3.33Å; V836-G839 WeakPolarHBondContact O-CA 3.48Å; V836-G839 PolarHBondContact O-N 2.79Å; N837-G839 PolarHBondContact O-N 3.29Å
840	Y	78.4	Confident	84.2	Confident	18 Å²	18	60 Å²	60	7%	0.071	31%	0.313	C	S	.	.			trans	-72.2	144.8	175.6	-73.1	-81.9	0	0	0	112.2	W648 V660 L795 L835 Q838 Y842	W648-Y840 WeakPolarHBondContact CH2-OH 3.28Å; W648-Y840 AromaticContact CZ3-CZ 3.91Å; W648-Y840 WeakPolarHBondContact CZ3-OH 3.47Å; V660-Y840 HydrophobicContact CB-CD1 4.19Å; V660-Y840 HydrophobicContact CB-CE1 4.18Å; V660-Y840 HydrophobicContact CG2-CE1 4.38Å; L795-Y840 HydrophobicContact CD2-CE1 3.72Å; L795-Y840 WeakPolarHBondContact CD2-OH 3.38Å; L835-Y840 HydrophobicContact CB-CD2 4.28Å; L835-Y840 HydrophobicContact CD2-CD2 3.69Å; L835-Y840 HydrophobicContact CD2-CE2 3.94Å; L835-Y840 HydrophobicContact CD2-CG 4.37Å; L835-Y840 WeakPolarHBondContact O-CB 3.29Å; L835-Y840 WeakPolarHBondContact O-CD2 3.32Å; L835-Y840 PolarHBondContact O-N 2.95Å; Q838-Y840 HydrophobicContact CB-CD2 3.91Å; Q838-Y840 HydrophobicContact CB-CE2 4Å; Y840-Y842 PolarHBondContact O-N 3.45Å
841	S	82.9	Confident	84.3	Confident	41 Å²	41	58 Å²	58	29%	0.287	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	117.6	168.5	-178.5	0	0	0	0	109.2	Q661 C662 Y810	Q661-S841 PolarHBondContact NE2-O 2.9Å; Q661-S841 PolarHBondContact NE2-OG 3.08Å; Q661-S841 VanDerWaalsContact NE2-OG 3.15Å; Q661-S841 PolarHBondContact OE1-OG 2.63Å; C662-S841 WeakPolarHBondContact CA-O 3.47Å; C662-S841 VanDerWaalsContact CB-O 3.26Å; C662-S841 WeakPolarHBondContact CB-O 3.22Å; C662-S841 PolarHBondContact N-O 2.98Å; Y810-S841 PolarHBondContact OH-OG 2.88Å
842	Y	87.4	Confident	84.2	Confident	38 Å²	38	66.6 Å²	66.6	15%	0.149	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.3	-177.1	-157.3	-88.6	0	0	0	111.2	C662 E664 Q832 L835 V836 Y840 V844	C662-Y842 HydrophobicContact CB-CD2 3.73Å; C662-Y842 HydrophobicContact CB-CE2 4.24Å; C662-Y842 WeakPolarHBondContact O-CA 3.25Å; E664-Y842 HydrophobicContact CB-CE1 3.95Å; E664-Y842 WeakPolarHBondContact CB-OH 3.4Å; E664-Y842 PolarHBondContact OE2-OH 2.95Å; Q832-Y842 HydrophobicContact CB-CE1 3.94Å; Q832-Y842 HydrophobicContact CB-CE2 4.37Å; Q832-Y842 HydrophobicContact CG-CD1 3.73Å; Q832-Y842 HydrophobicContact CG-CE1 3.58Å; Q832-Y842 HydrophobicContact CG-CE2 4.48Å; Q832-Y842 HydrophobicContact CG-CG 4.23Å; L835-Y842 HydrophobicContact CB-CD2 4.3Å; L835-Y842 HydrophobicContact CD1-CD2 4.2Å; L835-Y842 HydrophobicContact CD1-CE2 3.87Å; V836-Y842 HydrophobicContact CG2-CG 4.45Å; Y840-Y842 PolarHBondContact O-N 3.45Å; Y842-V844 HydrophobicContact CE1-CG2 4.19Å
843	K	91.4	Very high	84	Confident	124 Å²	124	69.4 Å²	69.4	54%	0.539	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.8	177	-177.6	176.2	-179.9	177.6	0	110.5	C662 A663 E664 I845	C662-K843 PolarHBondContact O-N 3.25Å; A663-K843 CarbonylContact C-O 3.56Å; A663-K843 VanDerWaalsContact CA-O 3.25Å; A663-K843 WeakPolarHBondContact CA-O 3.43Å; E664-K843 PolarHBondContact N-O 2.83Å; K843-I845 HydrophobicContact CD-CG1 4.28Å; K843-I845 HydrophobicContact CG-CG1 4.21Å
844	V	93.2	Very high	84	Confident	52 Å²	52	65.9 Å²	65.9	32%	0.315	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.6	169.2	-177.8	0	0	0	0	109	E664 W666 Y842	E664-V844 HydrophobicContact CB-CG2 4.45Å; E664-V844 CarbonylContact O-C 3.52Å; W666-V844 HydrophobicContact CD2-CG1 3.71Å; W666-V844 VanDerWaalsContact CE2-CG1 3.47Å; W666-V844 HydrophobicContact CE3-CG1 4.23Å; W666-V844 HydrophobicContact CG-CG1 4.1Å; W666-V844 HydrophobicContact CH2-CG1 4.34Å; W666-V844 HydrophobicContact CZ2-CG1 3.82Å; Y842-V844 HydrophobicContact CE1-CG2 4.19Å
845	I	94	Very high	84.3	Confident	31 Å²	31	69.7 Å²	69.7	16%	0.159	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	116.7	-179.3	-56.9	179.1	0	0	0	108.2	A663 E664 V665 W666 K843 R847 L848	A663-I845 HydrophobicContact CB-CD1 3.9Å; E664-I845 PolarHBondContact O-N 2.82Å; V665-I845 WeakPolarHBondContact CA-O 3.47Å; V665-I845 HydrophobicContact CG2-CB 4.43Å; W666-I845 PolarHBondContact N-O 3.32Å; K843-I845 HydrophobicContact CD-CG1 4.28Å; K843-I845 HydrophobicContact CG-CG1 4.21Å; I845-R847 WeakPolarHBondContact CG2-O 3.34Å; I845-L848 HydrophobicContact CG2-CD2 3.88Å; I845-L848 HydrophobicContact CG2-CG 4.39Å
846	T	91.5	Very high	84.6	Confident	83 Å²	83	69.8 Å²	69.8	51%	0.509	39%	0.386	S	S	.	.	S	Bend	trans	-95.6	-27.3	179.8	55.8	0	0	0	0	113.1	W666	W666-T846 HydrophobicContact CD2-CG2 4.47Å; W666-T846 HydrophobicContact CE3-CG2 3.82Å; W666-T846 HydrophobicContact CZ3-CG2 4.47Å
847	R	87.2	Confident	84.9	Confident	223 Å²	223	70.3 Å²	70.3	84%	0.842	38%	0.383	S	S	*	.			trans	-138.9	133	177.9	-64.7	-174.4	-177	175.3	1.8	110.4	I845	I845-R847 WeakPolarHBondContact CG2-O 3.34Å
848	L	88.5	Confident	85.4	Confident	30 Å²	30	67.4 Å²	67.4	16%	0.157	37%	0.368	C	S	.	.			trans	-94.1	118.1	175.4	-70.8	170.7	0	0	0	110	V665 V698 Y701 L702 I845 G850 M851	V665-L848 HydrophobicContact CG1-CD1 4.13Å; V665-L848 HydrophobicContact CG1-CG 4.32Å; V698-L848 HydrophobicContact CB-CD1 4.41Å; V698-L848 HydrophobicContact CG1-CD1 3.75Å; V698-L848 HydrophobicContact CG2-CD1 4.24Å; Y701-L848 HydrophobicContact CD1-CB 4.29Å; Y701-L848 HydrophobicContact CD1-CD1 3.8Å; Y701-L848 HydrophobicContact CE1-CB 4.07Å; Y701-L848 HydrophobicContact CE1-CD1 4.23Å; L702-L848 HydrophobicContact CD2-CD1 4.25Å; L702-L848 HydrophobicContact CD2-CD2 4.38Å; L702-L848 HydrophobicContact CG-CD1 4.34Å; I845-L848 HydrophobicContact CG2-CD2 3.88Å; I845-L848 HydrophobicContact CG2-CG 4.39Å; L848-G850 PolarHBondContact O-N 3.05Å; L848-M851 HydrophobicContact CB-CB 4.31Å; L848-M851 WeakPolarHBondContact O-CB 3.42Å; L848-M851 PolarHBondContact O-N 2.73Å
849	A	84.6	Confident	86.1	Confident	90 Å²	90	69 Å²	69	74%	0.744	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130.1	178.1	0	0	0	0	0	111.1	Y701	Y701-A849 PolarHBondContact OH-O 3.42Å
850	G	82.6	Confident	86.9	Confident	34 Å²	34	70.8 Å²	70.8	35%	0.351	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	9.2	179.7	0	0	0	0	0	115.5	Y701 L848 E852 T853	Y701-G850 WeakPolarHBondContact CE2-O 3.47Å; L848-G850 PolarHBondContact O-N 3.05Å; G850-E852 VanDerWaalsContact C-N 3.29Å; G850-E852 PolarHBondContact O-N 3.27Å; G850-T853 WeakPolarHBondContact CA-OG1 3.48Å; G850-T853 PolarHBondContact O-N 3.39Å; G850-T853 PolarHBondContact O-OG1 3.33Å
851	M	85.1	Confident	87.5	Confident	34 Å²	34	77.1 Å²	77.1	17%	0.167	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.7	174	-173.5	-177.5	171	0	0	112.2	R697 V698 Y701 L848 T853 L856	R697-M851 HydrophobicContact CB-CE 3.36Å; R697-M851 HydrophobicContact CG-CE 4.49Å; V698-M851 HydrophobicContact CG2-CE 3.98Å; V698-M851 HydrophobicContact CG2-SD 4.12Å; Y701-M851 HydrophobicContact CD2-CB 4.23Å; Y701-M851 HydrophobicContact CD2-CG 4.39Å; Y701-M851 HydrophobicContact CE2-CB 4.44Å; Y701-M851 HydrophobicContact CG-CG 4.46Å; L848-M851 HydrophobicContact CB-CB 4.31Å; L848-M851 WeakPolarHBondContact O-CB 3.42Å; L848-M851 PolarHBondContact O-N 2.73Å; M851-T853 VanDerWaalsContact C-N 3.34Å; M851-L856 HydrophobicContact CE-CD1 3.94Å; M851-L856 HydrophobicContact CG-CD1 3.62Å
852	E	82.5	Confident	88	Confident	192 Å²	192	81.7 Å²	81.7	90%	0.897	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.2	-179.4	-63.3	177.2	-177.1	0	0	113.2	G850 E854	G850-E852 VanDerWaalsContact C-N 3.29Å; G850-E852 PolarHBondContact O-N 3.27Å; E852-E854 VanDerWaalsContact C-N 3.33Å
853	T	83.3	Confident	88.2	Confident	122 Å²	122	82.3 Å²	82.3	75%	0.748	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-16	-179.8	51.8	0	0	0	0	113.4	G850 M851	G850-T853 WeakPolarHBondContact CA-OG1 3.48Å; G850-T853 PolarHBondContact O-N 3.39Å; G850-T853 PolarHBondContact O-OG1 3.33Å; M851-T853 VanDerWaalsContact C-N 3.34Å
854	E	83.4	Confident	88.2	Confident	56 Å²	56	77.6 Å²	77.6	26%	0.262	42%	0.418	S	S	.	.	S	Bend	trans	-97.4	141.2	-176.2	-73.8	-81.8	-179.1	0	0	111.7	Y701 R704 R708 E852 L856	Y701-E854 HydrophobicContact CD2-CG 4.28Å; Y701-E854 HydrophobicContact CE2-CG 4.29Å; R704-E854 IonicContact NH1-OE2 3.85Å; R708-E854 IonicContact CZ-OE1 2.79Å; R708-E854 IonicContact NH2-OE1 3.77Å; E852-E854 VanDerWaalsContact C-N 3.33Å; E854-L856 HydrophobicContact CB-CD2 4.2Å; E854-L856 HydrophobicContact CB-CG 4.24Å; E854-L856 PolarHBondContact O-N 3.42Å
855	S	86.4	Confident	88.2	Confident	97 Å²	97	77.4 Å²	77.4	68%	0.678	42%	0.421	S	S	*	.			trans	-78.1	85.8	175.8	56.7	0	0	0	0	111.3	R704	R704-S855 VanDerWaalsContact CZ-O 3.31Å; R704-S855 PolarHBondContact NH1-O 3.26Å; R704-S855 PolarHBondContact NH2-O 2.99Å
856	L	89	Confident	88.2	Confident	7 Å²	7	81.2 Å²	81.2	4%	0.037	44%	0.439	C	S	.	.			trans	-92.3	144.2	179.5	-55.9	174.6	0	0	0	111.6	R697 E700 M851 E854	R697-L856 HydrophobicContact CB-CD1 4.18Å; R697-L856 PolarHBondContact NH1-O 3Å; E700-L856 HydrophobicContact CB-CD2 4.18Å; E700-L856 HydrophobicContact CG-CD2 3.98Å; E700-L856 WeakPolarHBondContact OE2-CA 3.49Å; M851-L856 HydrophobicContact CE-CD1 3.94Å; M851-L856 HydrophobicContact CG-CD1 3.62Å; E854-L856 HydrophobicContact CB-CD2 4.2Å; E854-L856 HydrophobicContact CB-CG 4.24Å; E854-L856 PolarHBondContact O-N 3.42Å
857	K	88.4	Confident	88.2	Confident	71 Å²	71	77.4 Å²	77.4	31%	0.309	42%	0.415	S	S	.	.	S	Bend	trans	-68.8	165.5	175.9	-64.3	168.4	-177.7	161.5	0	111	F696 R697 E700 K729 S859	F696-K857 HydrophobicContact CE1-CB 3.95Å; R697-K857 WeakPolarHBondContact CG-O 3.25Å; R697-K857 PolarHBondContact NH1-O 2.92Å; E700-K857 IonicContact OE1-NZ 2.77Å; E700-K857 PolarHBondContact OE2-N 3.21Å; K729-K857 HydrophobicContact CG-CD 4.11Å; K729-K857 PolarHBondContact O-NZ 3.02Å; K857-S859 PolarHBondContact O-N 3.18Å
858	L	87.9	Confident	88.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.379	C	S	.	.	S	Bend	trans	59.5	32.6	-175.2	-54.4	178.5	0	0	0	113	P693 F696 E863 Q864 L867	P693-L858 HydrophobicContact CB-CB 4.45Å; P693-L858 HydrophobicContact CB-CD1 4.31Å; F696-L858 HydrophobicContact CB-CD1 3.8Å; F696-L858 HydrophobicContact CD1-CD1 3.7Å; F696-L858 HydrophobicContact CD1-CG 4.16Å; F696-L858 HydrophobicContact CD2-CD1 4.2Å; F696-L858 HydrophobicContact CE1-CD1 4.41Å; F696-L858 HydrophobicContact CG-CD1 3.62Å; L858-E863 WeakPolarHBondContact CA-OE2 3.43Å; L858-E863 HydrophobicContact CD2-CB 3.84Å; L858-E863 PolarHBondContact N-OE2 3.33Å; L858-Q864 HydrophobicContact CB-CG 4.46Å; L858-Q864 PolarHBondContact O-NE2 3.24Å; L858-L867 HydrophobicContact CD1-CD2 3.8Å
859	S	86.1	Confident	88.6	Confident	77 Å²	77	71.1 Å²	71.1	54%	0.538	40%	0.398	S	S	.	.			trans	-79	-24.8	176.4	55.1	0	0	0	0	112.8	K857	K857-S859 PolarHBondContact O-N 3.18Å
860	T	91.7	Very high	88.9	Confident	67 Å²	67	73.8 Å²	73.8	41%	0.411	39%	0.389	S	S	.	.	S	Bend	trans	-97	145.8	-178.2	69.7	0	0	0	0	111.4	Q862 E863 Q864	T860-Q862 PolarHBondContact O-N 3.13Å; T860-E863 PolarHBondContact O-N 3.36Å; T860-E863 WeakPolarHBondContact OG1-CG 3.41Å; T860-E863 PolarHBondContact OG1-N 3.48Å; T860-Q864 WeakPolarHBondContact O-CG 3.43Å; T860-Q864 PolarHBondContact O-N 2.97Å
861	K	91	Very high	89.2	Confident	150 Å²	150	72.2 Å²	72.2	65%	0.652	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-29.8	175.3	-71.6	-159.9	171.1	-147.4	0	113	E672 Q864 A865	E672-K861 IonicContact OE1-NZ 3.83Å; E672-K861 PolarHBondContact OE1-NZ 2.77Å; K861-Q864 PolarHBondContact O-N 3.04Å; K861-A865 WeakPolarHBondContact O-CB 3.32Å; K861-A865 PolarHBondContact O-N 3.25Å
862	Q	92.7	Very high	89.4	Confident	137 Å²	137	73.5 Å²	73.5	64%	0.64	38%	0.38	S	S	*	.	H	α-helix	trans	-65.4	-48.4	177.8	-175.7	177.9	-5.3	0	0	111.7	T860 Q864 A865 E866	T860-Q862 PolarHBondContact O-N 3.13Å; Q862-Q864 PolarHBondContact O-N 3.08Å; Q862-A865 PolarHBondContact O-N 3.38Å; Q862-E866 WeakPolarHBondContact O-CG 3.27Å; Q862-E866 PolarHBondContact O-N 3.33Å
863	E	91.1	Very high	89.7	Confident	51 Å²	51	68.4 Å²	68.4	24%	0.238	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-35.1	176.5	-73.2	-164.5	121.2	0	0	111.7	K729 L858 T860 L867	K729-E863 IonicContact NZ-OE1 3.28Å; K729-E863 PolarHBondContact NZ-OE1 3.06Å; L858-E863 WeakPolarHBondContact CA-OE2 3.43Å; L858-E863 HydrophobicContact CD2-CB 3.84Å; L858-E863 PolarHBondContact N-OE2 3.33Å; T860-E863 PolarHBondContact O-N 3.36Å; T860-E863 WeakPolarHBondContact OG1-CG 3.41Å; T860-E863 PolarHBondContact OG1-N 3.48Å; E863-L867 PolarHBondContact O-N 3.25Å
864	Q	93	Very high	89.8	Confident	26 Å²	26	63.1 Å²	63.1	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-68.5	-39.7	176.6	-64.7	179.2	6.5	0	0	112.1	P693 L858 T860 K861 Q862 L867 L868	P693-Q864 HydrophobicContact CB-CG 3.82Å; P693-Q864 HydrophobicContact CG-CB 4.19Å; P693-Q864 HydrophobicContact CG-CG 3.91Å; L858-Q864 HydrophobicContact CB-CG 4.46Å; L858-Q864 PolarHBondContact O-NE2 3.24Å; T860-Q864 WeakPolarHBondContact O-CG 3.43Å; T860-Q864 PolarHBondContact O-N 2.97Å; K861-Q864 PolarHBondContact O-N 3.04Å; Q862-Q864 PolarHBondContact O-N 3.08Å; Q864-L867 WeakPolarHBondContact O-CB 3.49Å; Q864-L867 PolarHBondContact O-N 3.35Å; Q864-L868 PolarHBondContact O-N 3.45Å
865	A	92.5	Very high	89.8	Confident	47 Å²	47	63.9 Å²	63.9	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-66.7	-38.9	175.2	0	0	0	0	0	112.1	K861 Q862 L867 L868 N869	K861-A865 WeakPolarHBondContact O-CB 3.32Å; K861-A865 PolarHBondContact O-N 3.25Å; Q862-A865 PolarHBondContact O-N 3.38Å; A865-L867 VanDerWaalsContact C-N 3.32Å; A865-L867 PolarHBondContact O-N 3.3Å; A865-L868 PolarHBondContact O-N 2.72Å; A865-N869 WeakPolarHBondContact O-CB 3.45Å; A865-N869 PolarHBondContact O-N 3.24Å; A865-N869 PolarHBondContact O-ND2 2.96Å
866	E	93.3	Very high	89.4	Confident	111 Å²	111	63.1 Å²	63.1	52%	0.519	34%	0.336	S	S	.	.	H	α-helix	trans	-61.4	-41.4	172.9	-72.8	173.2	-167.3	0	0	111.7	Q862 R870	Q862-E866 WeakPolarHBondContact O-CG 3.27Å; Q862-E866 PolarHBondContact O-N 3.33Å; E866-R870 WeakPolarHBondContact O-CB 3.48Å; E866-R870 PolarHBondContact O-N 2.88Å; E866-R870 VanDerWaalsContact O-N 3.08Å
867	L	92.5	Very high	88.7	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-63.4	-46.5	174.6	-176.6	55.9	0	0	0	111.5	F673 M691 P693 Y725 L858 E863 Q864 A865 N869 R870 V871	F673-L867 HydrophobicContact CZ-CB 4.38Å; F673-L867 HydrophobicContact CZ-CD2 4.2Å; F673-L867 HydrophobicContact CZ-CG 4.02Å; M691-L867 HydrophobicContact CE-CD1 3.4Å; M691-L867 VanDerWaalsContact CE-CD1 3.4Å; M691-L867 HydrophobicContact CE-CD2 4.36Å; M691-L867 HydrophobicContact CE-CG 4.26Å; P693-L867 HydrophobicContact CG-CD2 4.42Å; Y725-L867 HydrophobicContact CD1-CD1 4.28Å; Y725-L867 HydrophobicContact CD2-CD1 4.09Å; Y725-L867 HydrophobicContact CE1-CD1 3.7Å; Y725-L867 HydrophobicContact CE1-CD2 4.18Å; Y725-L867 HydrophobicContact CE2-CD1 3.47Å; Y725-L867 VanDerWaalsContact CE2-CD1 3.47Å; Y725-L867 HydrophobicContact CG-CD1 4.46Å; Y725-L867 WeakPolarHBondContact OH-CD1 3.2Å; L858-L867 HydrophobicContact CD1-CD2 3.8Å; E863-L867 PolarHBondContact O-N 3.25Å; Q864-L867 WeakPolarHBondContact O-CB 3.49Å; Q864-L867 PolarHBondContact O-N 3.35Å; A865-L867 VanDerWaalsContact C-N 3.32Å; A865-L867 PolarHBondContact O-N 3.3Å; L867-N869 PolarHBondContact O-N 3.29Å; L867-R870 WeakPolarHBondContact O-CB 3.47Å; L867-R870 PolarHBondContact O-N 2.95Å; L867-V871 HydrophobicContact CD1-CG2 4.43Å; L867-V871 WeakPolarHBondContact O-CG2 3.29Å; L867-V871 PolarHBondContact O-N 3.35Å
868	L	92.2	Very high	88.2	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-58.8	-47.4	178.1	-176.1	59.8	0	0	0	111.3	E672 F673 E676 L688 Q864 A865 R870 V871 L872	E672-L868 HydrophobicContact CB-CD2 4.03Å; F673-L868 HydrophobicContact CD1-CD1 4.09Å; F673-L868 HydrophobicContact CD2-CB 4.42Å; F673-L868 HydrophobicContact CD2-CD1 4.02Å; F673-L868 HydrophobicContact CE1-CD1 4.06Å; F673-L868 HydrophobicContact CE2-CB 3.74Å; F673-L868 HydrophobicContact CE2-CD1 4.01Å; F673-L868 HydrophobicContact CE2-CG 4.35Å; F673-L868 HydrophobicContact CG-CD1 4.07Å; F673-L868 HydrophobicContact CZ-CB 3.91Å; F673-L868 HydrophobicContact CZ-CD1 4.02Å; E676-L868 HydrophobicContact CG-CD1 4.18Å; E676-L868 HydrophobicContact CG-CD2 4.42Å; L688-L868 HydrophobicContact CD2-CD1 3.98Å; Q864-L868 PolarHBondContact O-N 3.45Å; A865-L868 PolarHBondContact O-N 2.72Å; L868-R870 VanDerWaalsContact C-N 3.27Å; L868-R870 PolarHBondContact O-N 3.01Å; L868-V871 PolarHBondContact O-N 2.91Å; L868-V871 VanDerWaalsContact O-N 3.08Å; L868-L872 HydrophobicContact CD1-CD1 4.43Å; L868-L872 HydrophobicContact CD1-CG 4.34Å; L868-L872 HydrophobicContact CG-CD1 4.1Å; L868-L872 HydrophobicContact CG-CG 4.44Å; L868-L872 WeakPolarHBondContact O-CG 3.38Å; L868-L872 PolarHBondContact O-N 3.47Å
869	N	91.9	Very high	87.4	Confident	107 Å²	107	68.5 Å²	68.5	57%	0.572	37%	0.365	S	S	*	.	H	α-helix	trans	-59.3	-39	177	-74.1	-25.7	0	0	0	112.2	A865 L867 L872 A873	A865-N869 WeakPolarHBondContact O-CB 3.45Å; A865-N869 PolarHBondContact O-N 3.24Å; A865-N869 PolarHBondContact O-ND2 2.96Å; L867-N869 PolarHBondContact O-N 3.29Å; N869-L872 PolarHBondContact O-N 3.44Å; N869-A873 VanDerWaalsContact O-CB 3.25Å; N869-A873 WeakPolarHBondContact O-CB 3.3Å; N869-A873 PolarHBondContact O-N 2.69Å
870	R	91.1	Very high	86.8	Confident	146 Å²	146	69.5 Å²	69.5	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-66.6	-37.5	175.9	-170.8	178	178.8	155.6	0.7	112.4	F721 E866 L867 L868 S874	F721-R870 HydrophobicContact CZ-CG 4.23Å; E866-R870 WeakPolarHBondContact O-CB 3.48Å; E866-R870 PolarHBondContact O-N 2.88Å; E866-R870 VanDerWaalsContact O-N 3.08Å; L867-R870 WeakPolarHBondContact O-CB 3.47Å; L867-R870 PolarHBondContact O-N 2.95Å; L868-R870 VanDerWaalsContact C-N 3.27Å; L868-R870 PolarHBondContact O-N 3.01Å; R870-S874 PolarHBondContact O-N 3.01Å
871	V	88.9	Confident	85.7	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-70	-43.1	176	175.6	0	0	0	0	110.7	L687 L688 M691 L867 L868 A873 S874	L687-V871 HydrophobicContact CD2-CG1 4.08Å; L687-V871 HydrophobicContact CG-CG1 4.05Å; L688-V871 HydrophobicContact CD2-CG1 3.66Å; L688-V871 HydrophobicContact CG-CG1 4.24Å; M691-V871 HydrophobicContact CB-CG2 3.71Å; M691-V871 HydrophobicContact CE-CG2 4.31Å; M691-V871 HydrophobicContact CG-CG2 3.83Å; L867-V871 HydrophobicContact CD1-CG2 4.43Å; L867-V871 WeakPolarHBondContact O-CG2 3.29Å; L867-V871 PolarHBondContact O-N 3.35Å; L868-V871 PolarHBondContact O-N 2.91Å; L868-V871 VanDerWaalsContact O-N 3.08Å; V871-A873 VanDerWaalsContact C-N 3.31Å; V871-A873 PolarHBondContact O-N 3.47Å; V871-S874 WeakPolarHBondContact O-CB 3.31Å; V871-S874 PolarHBondContact O-N 2.85Å; V871-S874 VanDerWaalsContact O-N 3.16Å; V871-S874 PolarHBondContact O-OG 2.86Å
872	L	88.3	Confident	84.5	Confident	62 Å²	62	63.4 Å²	63.4	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-39.1	176.9	-68.3	174.8	0	0	0	111.9	E676 M680 K684 L868 N869 S874	E676-L872 HydrophobicContact CB-CD2 4.48Å; E676-L872 HydrophobicContact CG-CD2 4.35Å; M680-L872 HydrophobicContact SD-CD2 4.34Å; K684-L872 PolarHBondContact NZ-O 3.2Å; L868-L872 HydrophobicContact CD1-CD1 4.43Å; L868-L872 HydrophobicContact CD1-CG 4.34Å; L868-L872 HydrophobicContact CG-CD1 4.1Å; L868-L872 HydrophobicContact CG-CG 4.44Å; L868-L872 WeakPolarHBondContact O-CG 3.38Å; L868-L872 PolarHBondContact O-N 3.47Å; N869-L872 PolarHBondContact O-N 3.44Å; L872-S874 VanDerWaalsContact C-N 3.27Å; L872-S874 PolarHBondContact O-N 2.95Å
873	A	89	Confident	83.1	Confident	85 Å²	85	65.1 Å²	65.1	70%	0.702	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.6	176.9	0	0	0	0	0	114.9	N869 V871	N869-A873 VanDerWaalsContact O-CB 3.25Å; N869-A873 WeakPolarHBondContact O-CB 3.3Å; N869-A873 PolarHBondContact O-N 2.69Å; V871-A873 VanDerWaalsContact C-N 3.31Å; V871-A873 PolarHBondContact O-N 3.47Å
874	S	85.4	Confident	81.4	Confident	10 Å²	10	64.2 Å²	64.2	7%	0.07	33%	0.334	C	S	.	.	S	Bend	trans	-66.7	166.1	176.2	70.7	0	0	0	0	111.7	K684 L687 R870 V871 L872	K684-S874 WeakPolarHBondContact CE-O 3.4Å; K684-S874 PolarHBondContact NZ-O 2.92Å; L687-S874 VanDerWaalsContact CD2-OG 3.25Å; L687-S874 WeakPolarHBondContact CD2-OG 3.29Å; R870-S874 PolarHBondContact O-N 3.01Å; V871-S874 WeakPolarHBondContact O-CB 3.31Å; V871-S874 PolarHBondContact O-N 2.85Å; V871-S874 VanDerWaalsContact O-N 3.16Å; V871-S874 PolarHBondContact O-OG 2.86Å; L872-S874 VanDerWaalsContact C-N 3.27Å; L872-S874 PolarHBondContact O-N 2.95Å
875	T	82.6	Confident	79	Confident	73 Å²	73	69.2 Å²	69.2	45%	0.448	37%	0.369	S	S	.	.			trans	-97.1	164.7	174	60.9	0	0	0	0	111	E877 D878	T875-E877 PolarHBondContact O-N 3.43Å; T875-D878 PolarHBondContact N-OD2 3.32Å; T875-D878 WeakPolarHBondContact O-CB 3.42Å; T875-D878 PolarHBondContact O-N 3.25Å; T875-D878 PolarHBondContact OG1-N 2.93Å; T875-D878 PolarHBondContact OG1-OD2 3.5Å
876	D	78.2	Confident	76.8	Confident	81 Å²	81	69.5 Å²	69.5	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-25.5	172.8	-69.2	-0.4	0	0	0	111.3	S682 D878 A879 M880	S682-D876 PolarHBondContact OG-OD1 2.88Å; S682-D876 PolarHBondContact OG-OD2 2.88Å; D876-D878 VanDerWaalsContact C-N 3.26Å; D876-D878 PolarHBondContact O-N 3.02Å; D876-A879 WeakPolarHBondContact O-CB 3.31Å; D876-A879 PolarHBondContact O-N 3.4Å; D876-A879 VanDerWaalsContact O-N 3.13Å; D876-M880 PolarHBondContact O-N 3.2Å
877	E	75.5	Confident	74.5	Confident	120 Å²	120	64.8 Å²	64.8	56%	0.561	35%	0.349	S	S	*	.	H	α-helix	trans	-60.9	-33.2	170.7	-66.7	-173.7	178.7	0	0	112.1	T875 A879 M880 K906	T875-E877 PolarHBondContact O-N 3.43Å; E877-A879 VanDerWaalsContact C-N 3.31Å; E877-M880 HydrophobicContact CB-CE 4.07Å; E877-M880 HydrophobicContact CG-CE 3.94Å; E877-M880 PolarHBondContact O-N 3.36Å; E877-K906 IonicContact OE1-NZ 3.69Å; E877-K906 PolarHBondContact OE1-NZ 3.45Å
878	D	77.2	Confident	72.2	Confident	62 Å²	62	66.1 Å²	66.1	33%	0.332	36%	0.358	S	S	.	.	H	α-helix	trans	-75.6	-21.6	177.3	-62.1	-59.2	0	0	0	112.8	N719 F721 T875 D876	N719-D878 PolarHBondContact ND2-O 3.07Å; F721-D878 HydrophobicContact CB-CB 4.3Å; F721-D878 HydrophobicContact CD2-CB 3.97Å; F721-D878 HydrophobicContact CG-CB 4.36Å; T875-D878 PolarHBondContact N-OD2 3.32Å; T875-D878 WeakPolarHBondContact O-CB 3.42Å; T875-D878 PolarHBondContact O-N 3.25Å; T875-D878 PolarHBondContact OG1-N 2.93Å; T875-D878 PolarHBondContact OG1-OD2 3.5Å; D876-D878 VanDerWaalsContact C-N 3.26Å; D876-D878 PolarHBondContact O-N 3.02Å
879	A	71.9	Confident	69.8	Low	9 Å²	9	68.7 Å²	68.7	7%	0.074	37%	0.372	C	S	.	.	H	α-helix	trans	-80.8	-22.8	175.6	0	0	0	0	0	112.3	K684 L687 N719 D876 E877	K684-A879 HydrophobicContact CB-CB 4.35Å; L687-A879 HydrophobicContact CB-CB 4.12Å; N719-A879 PolarHBondContact ND2-O 2.91Å; D876-A879 WeakPolarHBondContact O-CB 3.31Å; D876-A879 PolarHBondContact O-N 3.4Å; D876-A879 VanDerWaalsContact O-N 3.13Å; E877-A879 VanDerWaalsContact C-N 3.31Å
880	M	72.5	Confident	67.4	Low	98 Å²	98	66.9 Å²	66.9	48%	0.483	37%	0.367	S	S	.	.	S	Bend	trans	-66.9	151	179.9	-70.3	-162.2	-75.2	0	0	112.9	D876 E877	D876-M880 PolarHBondContact O-N 3.2Å; E877-M880 HydrophobicContact CB-CE 4.07Å; E877-M880 HydrophobicContact CG-CE 3.94Å; E877-M880 PolarHBondContact O-N 3.36Å
881	E	69.1	Low	64.9	Low	64 Å²	64	65.8 Å²	65.8	30%	0.299	37%	0.367	S	S	.	.			trans	-66.2	155.7	168.4	-73.3	-176.3	-152.3	0	0	112.3	D718 K764 H784 K883	D718-E881 HydrophobicContact CB-CG 4.44Å; K764-E881 IonicContact NZ-OE2 3.1Å; K764-E881 PolarHBondContact NZ-OE2 2.85Å; H784-E881 VanDerWaalsContact CB-OE1 3.25Å; H784-E881 WeakPolarHBondContact CB-OE1 3.34Å; H784-E881 IonicContact CD2-OE1 2.82Å; H784-E881 PolarHBondContact CD2-OE1 3.05Å; H784-E881 VanDerWaalsContact CD2-OE1 3.29Å; H784-E881 IonicContact CG-OE1 3.77Å; E881-K883 PolarHBondContact O-N 3.46Å
882	E	66.3	Low	62.2	Low	25 Å²	25	70.8 Å²	70.8	12%	0.117	39%	0.394	C	S	.	.			trans	-66.4	105.2	167.4	-170.5	174.3	-152.6	0	0	110.4	V720 G737 S763 L884	V720-E882 HydrophobicContact CG2-CB 3.95Å; V720-E882 HydrophobicContact CG2-CG 4.39Å; G737-E882 WeakPolarHBondContact CA-OE1 3.23Å; G737-E882 PolarHBondContact N-OE1 2.79Å; S763-E882 WeakPolarHBondContact CB-OE2 2.97Å; S763-E882 PolarHBondContact OG-OE2 3.28Å; E882-L884 HydrophobicContact CG-CD2 3.93Å; E882-L884 HydrophobicContact CG-CG 4.14Å; E882-L884 PolarHBondContact O-N 2.89Å
883	K	61.6	Low	59.5	Low	172 Å²	172	77.8 Å²	77.8	75%	0.748	42%	0.417	S	S	*	.			trans	-72.9	111.1	169.6	-67.7	-175.9	179.7	-178.3	0	109.2	E881	E881-K883 PolarHBondContact O-N 3.46Å
884	L	55.9	Low	56.6	Low	32 Å²	32	78.9 Å²	78.9	17%	0.168	42%	0.416	C	S	.	.			trans	-95.6	138.1	176	-67	171.7	0	0	0	110.4	K764 V765 N768 E882 A886 D887	K764-L884 HydrophobicContact CB-CD1 4.25Å; K764-L884 HydrophobicContact CG-CD1 4.37Å; V765-L884 HydrophobicContact CG1-CD1 4.22Å; V765-L884 HydrophobicContact CG1-CD2 4.21Å; N768-L884 WeakPolarHBondContact ND2-CD1 3.29Å; E882-L884 HydrophobicContact CG-CD2 3.93Å; E882-L884 HydrophobicContact CG-CG 4.14Å; E882-L884 PolarHBondContact O-N 2.89Å; L884-A886 PolarHBondContact O-N 3.4Å; L884-D887 PolarHBondContact O-N 2.96Å
885	P	43.3	Very low	53.9	Low	132 Å²	132	85 Å²	85	86%	0.857	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-8	-173.3	-21.5	31	0	0	0	115.8
886	A	45.4	Very low	51.3	Low	52 Å²	52	89.7 Å²	89.7	43%	0.43	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	8.3	-169.3	0	0	0	0	0	113.6	L884 P888	L884-A886 PolarHBondContact O-N 3.4Å; A886-P888 WeakPolarHBondContact O-CD 3.28Å
887	D	46.1	Very low	48.9	Very low	12 Å²	12	90.8 Å²	90.8	6%	0.064	48%	0.482	C	S	.	.			trans	-80.5	104.5	-176.2	-134.8	-11	0	0	0	109.9	K764 L884 D889 S890	K764-D887 VanDerWaalsContact CE-OD2 3.26Å; K764-D887 WeakPolarHBondContact CE-OD2 3.36Å; K764-D887 IonicContact NZ-OD2 3.86Å; K764-D887 PolarHBondContact NZ-OD2 3.18Å; L884-D887 PolarHBondContact O-N 2.96Å; D887-D889 PolarHBondContact O-N 2.92Å; D887-S890 PolarHBondContact O-N 2.88Å
888	P	43.3	Very low	46.7	Very low	33 Å²	33	90.9 Å²	90.9	21%	0.214	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-67.3	-20.9	-174.9	29	-33.4	0	0	0	112.4	T600 F606 A886	T600-P888 HydrophobicContact CG2-CB 4.41Å; T600-P888 HydrophobicContact CG2-CG 3.89Å; F606-P888 HydrophobicContact CE2-CB 3.84Å; F606-P888 HydrophobicContact CZ-CB 4.29Å; A886-P888 WeakPolarHBondContact O-CD 3.28Å
889	D	41.3	Very low	44.2	Very low	68 Å²	68	92.1 Å²	92.1	36%	0.364	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-81.5	-16.9	-179.1	-62.9	-24.9	0	0	0	112.6	Q790 D887 F891	Q790-D889 PolarHBondContact NE2-OD2 2.9Å; D887-D889 PolarHBondContact O-N 2.92Å; D889-F891 VanDerWaalsContact C-N 3.25Å; D889-F891 PolarHBondContact O-N 3.4Å
890	S	42.1	Very low	42.1	Very low	68 Å²	68	98.7 Å²	98.7	48%	0.476	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-79.4	-3.1	179.1	-67.6	0	0	0	0	114	D887 N892	D887-S890 PolarHBondContact O-N 2.88Å; S890-N892 VanDerWaalsContact C-N 3.29Å; S890-N892 PolarHBondContact O-N 3.31Å
891	F	39.2	Very low	39.8	Very low	123 Å²	123	100.1 Å²	100.1	54%	0.539	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-81.4	1.6	-173.7	-85.1	-84.4	0	0	0	115.2	D889	D889-F891 VanDerWaalsContact C-N 3.25Å; D889-F891 PolarHBondContact O-N 3.4Å
892	N	30.9	Very low	37.9	Very low	106 Å²	106	100.1 Å²	100.1	57%	0.567	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-103	1.5	-169.1	-85.4	-6.3	0	0	0	117.3	S890	S890-N892 VanDerWaalsContact C-N 3.29Å; S890-N892 PolarHBondContact O-N 3.31Å
893	Y	32.9	Very low	35.9	Very low	208 Å²	208	106.5 Å²	106.5	82%	0.816	62%	0.622	S	S	*	*	S	Bend	trans	-128	9.4	-174.3	-78.4	-72.8	0	0	0	117.9
894	T	28.5	Very low	34.3	Very low	109 Å²	109	105.9 Å²	105.9	67%	0.669	63%	0.625	S	S	*	*	S	Bend	trans	-140.6	24.1	-173.8	65.4	0	0	0	0	117.7
895	N	28	Very low	32.9	Very low	139 Å²	139	115.4 Å²	115.4	74%	0.743	66%	0.659	S	S	*	*	S	Bend	trans	-131.6	19.9	-178.3	-79.2	-31.9	0	0	0	115.9
896	I	27.5	Very low	32.4	Very low	170 Å²	170	116.5 Å²	116.5	87%	0.872	65%	0.65	S	S	*	*	S	Bend	trans	-135.6	68.9	174.7	-49.7	178	0	0	0	109.5
897	S	28.2	Very low	31.7	Very low	104 Å²	104	119.9 Å²	119.9	73%	0.727	67%	0.671	S	S	*	*	S	Bend	trans	-170.2	126.2	149.9	52.4	0	0	0	0	110.7
898	T	28.7	Very low	31.1	Very low	122 Å²	122	124.6 Å²	124.6	75%	0.748	70%	0.704	S	S	*	*			trans	66.1	97.6	159.7	63.1	0	0	0	0	118.6	I900	T898-I900 PolarHBondContact O-N 3.32Å
899	G	25.4	Very low	30.8	Very low	89 Å²	89	131.9 Å²	131.9	92%	0.918	73%	0.733	S	S	*	*			trans	-67.4	92.9	151.8	0	0	0	0	0	110.1
900	I	28.5	Very low	30.7	Very low	147 Å²	147	137.4 Å²	137.4	75%	0.754	76%	0.759	S	S	*	*			trans	-138.5	117.8	158.2	-59.2	-178.7	0	0	0	107.7	T898 G902	T898-I900 PolarHBondContact O-N 3.32Å; I900-G902 PolarHBondContact O-N 2.84Å
901	S	24.2	Very low	31	Very low	127 Å²	127	139.7 Å²	139.7	89%	0.888	78%	0.775	S	S	*	*			trans	-50.6	100.6	168.6	-65.2	0	0	0	0	111.3
902	G	27.6	Very low	31.3	Very low	65 Å²	65	138.9 Å²	138.9	67%	0.67	78%	0.784	S	S	*	*			trans	-118.3	93.8	177.6	0	0	0	0	0	112.1	I900 I904	I900-G902 PolarHBondContact O-N 2.84Å; G902-I904 PolarHBondContact O-N 2.95Å
903	L	24.4	Very low	31.9	Very low	158 Å²	158	141.6 Å²	141.6	83%	0.827	80%	0.798	S	S	*	*			trans	-58	113.6	168	-98.2	84.4	0	0	0	110.7
904	I	29.5	Very low	32.4	Very low	160 Å²	160	136.6 Å²	136.6	82%	0.821	79%	0.794	S	S	*	*			trans	-89.9	107.3	163.3	-62.9	176.3	0	0	0	108.6	G902 K906	G902-I904 PolarHBondContact O-N 2.95Å; I904-K906 PolarHBondContact O-N 2.85Å
905	R	26.4	Very low	32.8	Very low	231 Å²	231	135.8 Å²	135.8	87%	0.872	81%	0.806	S	S	*	*			trans	-73.7	105.1	173.5	-67.2	180	-168.6	175.1	4.2	110.1
906	K	31.8	Very low	33.3	Very low	155 Å²	155	132.3 Å²	132.3	67%	0.674	80%	0.797	S	S	*	*			trans	-88.8	126.3	156.9	-80.8	-173.5	176	-177.6	0	108.6	E877 I904 S908	E877-K906 IonicContact OE1-NZ 3.69Å; E877-K906 PolarHBondContact OE1-NZ 3.45Å; I904-K906 PolarHBondContact O-N 2.85Å; K906-S908 PolarHBondContact O-N 2.9Å; K906-S908 VanDerWaalsContact O-N 3.13Å
907	S	31.7	Very low	33.6	Very low	123 Å²	123	132.2 Å²	132.2	86%	0.86	80%	0.799	S	S	*	*			trans	-67.4	107.4	174.8	62	0	0	0	0	109.7
908	S	32.2	Very low	33.8	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	81%	0.806	S	S	*	*			trans	-149.4	141.4	171.1	-74.9	0	0	0	0	110.2	K906	K906-S908 PolarHBondContact O-N 2.9Å; K906-S908 VanDerWaalsContact O-N 3.13Å
909	K	37.7	Very low	33.9	Very low	186 Å²	186	133.4 Å²	133.4	81%	0.809	80%	0.804	S	S	*	*			trans	-39.7	130.8	-166.4	-65.2	164.7	179.7	174.9	0	114.5	S911	K909-S911 PolarHBondContact O-N 3.47Å
910	M	39.1	Very low	34.2	Very low	184 Å²	184	137.3 Å²	137.3	91%	0.906	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	7.7	-174.1	-78.8	176.2	59.9	0	0	117.7
911	S	49	Very low	34.2	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	8.7	-169.5	61.7	0	0	0	0	115.6	K909	K909-S911 PolarHBondContact O-N 3.47Å
912	S	44.5	Very low	34.5	Very low	106 Å²	106	141 Å²	141	74%	0.741	80%	0.802	S	S	*	*			trans	-125.1	20.6	-175.2	63.1	0	0	0	0	115
913	L	43.9	Very low	34.6	Very low	164 Å²	164	144.9 Å²	144.9	86%	0.859	81%	0.808	S	S	*	*			trans	-93	8.8	-176.6	-92.8	154.8	0	0	0	114.9
914	S	43.7	Very low	34.8	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	81%	0.806	S	S	*	*			trans	-106.6	96.8	176.7	173.1	0	0	0	0	109.8	A916	S914-A916 PolarHBondContact O-N 3.31Å
915	G	36.1	Very low	34.8	Very low	91 Å²	91	141.5 Å²	141.5	94%	0.938	81%	0.806	S	S	*	*			trans	-70.1	71.5	175.8	0	0	0	0	0	113.3
916	A	39	Very low	35.2	Very low	66 Å²	66	134.4 Å²	134.4	55%	0.545	79%	0.792	S	S	.	*			trans	-134.5	107	165.4	0	0	0	0	0	106	S914	S914-A916 PolarHBondContact O-N 3.31Å
917	D	34.1	Very low	35.5	Very low	169 Å²	169	132.4 Å²	132.4	90%	0.904	80%	0.798	S	S	*	*			trans	171.6	69.5	145.9	-79.9	-14.9	0	0	0	108.1
918	D	31.9	Very low	35.9	Very low	165 Å²	165	130 Å²	130	88%	0.882	79%	0.786	S	S	*	*			trans	-73.8	132.4	152	-112.4	-22.4	0	0	0	107.7
919	A	32	Very low	36.2	Very low	85 Å²	85	128.2 Å²	128.2	70%	0.702	78%	0.777	S	S	*	*			trans	76.9	136.2	162.1	0	0	0	0	0	119.5
920	I	30.1	Very low	36.3	Very low	172 Å²	172	129.1 Å²	129.1	88%	0.882	78%	0.776	S	S	*	*			trans	120.5	119.2	147.6	-55.7	162.3	0	0	0	115.1
921	Y	28.3	Very low	36.3	Very low	221 Å²	221	128.1 Å²	128.1	87%	0.867	77%	0.766	S	S	*	*			trans	-62.1	162.7	178.6	-126.9	-104.2	0	0	0	115
922	V	31.2	Very low	36	Very low	129 Å²	129	128 Å²	128	78%	0.782	76%	0.757	S	S	*	*			trans	116.4	119.2	147.6	-168	0	0	0	0	116.9
923	D	29	Very low	35.8	Very low	147 Å²	147	131 Å²	131	79%	0.786	76%	0.756	S	S	*	*			trans	-36.3	137.4	165.7	-93.2	-45.4	0	0	0	115.4
924	T	29.2	Very low	35.7	Very low	127 Å²	127	128 Å²	128	78%	0.779	74%	0.741	S	S	*	*				171.6	146.4	121.9	33.6	0	0	0	0	109.1
925	S	29	Very low	35.7	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	74%	0.741	S	S	*	*			trans	81.3	133.5	-173.1	87.9	0	0	0	0	112.9
926	S	36.3	Very low	36.1	Very low	82 Å²	82	135.3 Å²	135.3	57%	0.573	74%	0.736	S	S	*	*			cis	-161.9	145	15.8	50	0	0	0	0	108.2	A928	S926-A928 PolarHBondContact O-N 3.02Å
927	S	37.9	Very low	36.2	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	0.2	-174.1	-30.3	0	0	0	0	115.6
928	A	39.8	Very low	36.9	Very low	73 Å²	73	134.4 Å²	134.4	60%	0.603	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-33.7	-175	0	0	0	0	0	113.4	S926 R930 K931	S926-A928 PolarHBondContact O-N 3.02Å; A928-R930 VanDerWaalsContact C-N 3.26Å; A928-R930 PolarHBondContact O-N 3.27Å; A928-K931 PolarHBondContact O-N 3.26Å
929	A	39.1	Very low	37.5	Very low	72 Å²	72	130.6 Å²	130.6	60%	0.595	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-10.8	-179.2	0	0	0	0	0	114.2
930	R	38.2	Very low	38.3	Very low	205 Å²	205	129 Å²	129	77%	0.774	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-20.5	176.1	-78.8	-177.1	175.7	170.7	0.3	113.2	A928 L934	A928-R930 VanDerWaalsContact C-N 3.26Å; A928-R930 PolarHBondContact O-N 3.27Å; R930-L934 VanDerWaalsContact O-CD1 3.31Å; R930-L934 WeakPolarHBondContact O-CD1 3.35Å
931	K	40.6	Very low	39.4	Very low	163 Å²	163	126 Å²	126	71%	0.709	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-28.1	-177.8	-92	-177.5	175.5	177.9	0	114	A928	A928-K931 PolarHBondContact O-N 3.26Å
932	D	41.2	Very low	40.2	Very low	114 Å²	114	125.8 Å²	125.8	61%	0.61	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-30.6	179.5	-76.7	-33.6	0	0	0	113.7	L934 K935	D932-L934 PolarHBondContact O-N 3.3Å; D932-K935 PolarHBondContact O-N 3.08Å
933	K	42.1	Very low	40.9	Very low	169 Å²	169	126.4 Å²	126.4	74%	0.735	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-8.8	170.1	-76.5	-173.7	174.8	-177.8	0	114.4
934	L	40.5	Very low	41.7	Very low	101 Å²	101	126 Å²	126	53%	0.529	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	-12.3	174.8	-92.2	157.1	0	0	0	113.2	R930 D932	R930-L934 VanDerWaalsContact O-CD1 3.31Å; R930-L934 WeakPolarHBondContact O-CD1 3.35Å; D932-L934 PolarHBondContact O-N 3.3Å
935	K	43.5	Very low	42	Very low	170 Å²	170	131.1 Å²	131.1	74%	0.739	65%	0.645	S	S	*	*	S	Bend	trans	-90.2	-17.2	179.5	-74.6	178.9	178.7	170.4	0	114.3	D932	D932-K935 PolarHBondContact O-N 3.08Å
936	E	46	Very low	42.2	Very low	178 Å²	178	140.6 Å²	140.6	83%	0.832	66%	0.662	S	S	*	*	S	Bend	trans	-95	9.7	176.7	-67.9	-174.4	156	0	0	113.8
937	R	39.9	Very low	42.5	Very low	175 Å²	175	143.5 Å²	143.5	66%	0.66	67%	0.666	S	S	*	*			trans	-80.3	131.4	178.6	-83.9	-175.4	163.3	-168.4	-6.1	112.3
938	H	48.4	Very low	42.7	Very low	40 Å²	40	145.1 Å²	145.1	19%	0.185	66%	0.659	C	S	.	*			trans	-53.1	140.1	178.3	-163.1	-89.1	0	0	0	112.9	L940 F941	H938-L940 PolarHBondContact ND1-N 3.06Å; H938-L940 PolarHBondContact O-N 3.31Å; H938-F941 HydrophobicContact CB-CD2 4.03Å; H938-F941 HydrophobicContact CB-CE2 4.15Å; H938-F941 PolarHBondContact O-N 3.3Å; H938-F941 VanDerWaalsContact O-N 3.08Å
939	P	46.2	Very low	42.9	Very low	86 Å²	86	149.1 Å²	149.1	56%	0.558	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-59.7	-21.1	-175.2	17.8	-29.7	0	0	0	115.1	F941 R942	P939-F941 VanDerWaalsContact C-N 3.26Å; P939-F941 PolarHBondContact O-N 3.21Å; P939-R942 PolarHBondContact O-N 3.17Å
940	L	48.3	Very low	43.1	Very low	52 Å²	52	153.6 Å²	153.6	27%	0.272	67%	0.666	S	S	.	*	G	3₁₀ helix	trans	-59.6	-30.6	173.6	-94.6	160.8	0	0	0	113.4	P733 H938 R942 L943 F944	P733-L940 HydrophobicContact CG-CD1 4.49Å; H938-L940 PolarHBondContact ND1-N 3.06Å; H938-L940 PolarHBondContact O-N 3.31Å; L940-R942 PolarHBondContact O-N 3.44Å; L940-L943 PolarHBondContact O-N 2.82Å; L940-F944 HydrophobicContact CD2-CE2 3.72Å; L940-F944 WeakPolarHBondContact O-CD2 3.31Å
941	F	51.9	Low	43.4	Very low	108 Å²	108	150.4 Å²	150.4	47%	0.474	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-79.3	-1.9	-177.9	-64.3	-72.2	0	0	0	114.2	H938 P939	H938-F941 HydrophobicContact CB-CD2 4.03Å; H938-F941 HydrophobicContact CB-CE2 4.15Å; H938-F941 PolarHBondContact O-N 3.3Å; H938-F941 VanDerWaalsContact O-N 3.08Å; P939-F941 VanDerWaalsContact C-N 3.26Å; P939-F941 PolarHBondContact O-N 3.21Å
942	R	46.4	Very low	43.6	Very low	217 Å²	217	149.5 Å²	149.5	82%	0.819	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-90.9	-17.6	170.5	-75.6	-175.9	178.6	160.6	2	113.5	P939 L940	P939-R942 PolarHBondContact O-N 3.17Å; L940-R942 PolarHBondContact O-N 3.44Å
943	L	44.7	Very low	43.7	Very low	141 Å²	141	152.1 Å²	152.1	74%	0.738	66%	0.66	S	S	*	*	S	Bend	trans	-92.5	-11.1	-174.7	-88.1	147.5	0	0	0	114.5	L940	L940-L943 PolarHBondContact O-N 2.82Å
944	F	45.5	Very low	43.9	Very low	140 Å²	140	150.8 Å²	150.8	61%	0.614	65%	0.654	S	S	*	*	S	Bend	trans	-111.2	23.4	-174.7	-69.9	-76.5	0	0	0	114.8	L940	L940-F944 HydrophobicContact CD2-CE2 3.72Å; L940-F944 WeakPolarHBondContact O-CD2 3.31Å
945	R	35.5	Very low	44.1	Very low	234 Å²	234	154.9 Å²	154.9	88%	0.883	67%	0.665	S	S	*	*			trans	-120.3	69.3	166.8	-86.8	-172.8	173.2	-174.6	-2.8	109.6
946	R	33.3	Very low	44.2	Very low	318 Å²	318	153.5 Å²	153.5	100%	1.2	66%	0.658	S	S	*	*			trans	-158.5	0	156.1	-109.1	179.8	-174.8	-175.8	1.1	109.5

Retrieved 946 of 946 residues in 1423.2 ms (Link to these results)

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