A0A3Q0KPV3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KPV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,040 aa.

						>A0A3Q0KPV3_SCHMA|A0A3Q0KPV3
MHAVESIIVSPRYTKNISNETELYFNSNNQRNKYPAISKCRDQYYADRVSYISYSPHQRNNRNLSRTNVTSFTRRNTQVYDDSSLLCNPRSFLNSDSSFSCNHPQRGSSFNCSQNYGGYLLPGRPRMSNQTSKSYLSPSILNLSSGTCNRSLRDLRKSPERHLATSRYPYFTNKSPKARNDFKPFTYLKNVERDHDIQRQYLFGSVKPRDCGIEYDLLSSQPLEMKQYTFPSESVKGGSLILESKKEFNLNSFNPIDHDYSSVIHVRPHRMRKTIDIKQNDKTLDDPSHKRLSKCLQSKPGASYDGSCCMSGTLAVTLYGSKLTEYERNEIQDYAEVYFLGLNAPKRHPLGNSITDASYKRSSIISISNVTGFDDAQSSYILVPNDHLAYRYEVLKPLGKGSFGHVVHAVDHCTKKQVAIKIVKSEARFTRQAVEEIRILKALNGQQNDGEFNVVHLVDHFIFRGHVCMVFELLYINLYELICRNNFKGFSQSLVRKLTYGILCCLELLYRNKVIHCDLKPENILLRRPGKSKIKVIDFGSSCYINECPYNYIQSRFYRAPEIILGLPYGTPIDMWSLGCILAEFITGEPLFPGEDAFDQLACIMEILGVPPMQMIKKGSQSHHYFGSNGQPLYMIEQQKHSYGNEQSDKTKEALTNLNKSLNSSSTKHKRSGSHKRQKLRKSPGSMTLVDALTSSKNSSVCLPSSDKTNVGHKIPQPLDPDMIDFLEGCLKWNPDERMNPLEALNHPWIKKMSSQSFGRTDSFLATCNSNANTDSSYLYNNNSIFTNGPTKHVSDTEFVASILGVRTRKRDPSLLHISRKSEAHSTIPDDTVSLNESYRRYSYDQSNNRLSQLFERSVTCTSNPKSRREMSSDASSQHNSESHYNTKQYRSFLNNGHSNVNSNNNVDNRNHSVSPQDNNHNRRSRNRHYSRRKGINTHSDHIQEEEDNRSHSDSNQVLLEEHDCTTNEETPSVSISSIHQTSKEENNHIEVSIHDTEQSSRNSGYYENANNLNGNSKIVMYNDEKVILVPNLITGEHDI
					

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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	26.6	Very low	27.5	Very low	229 Å²	229	132.7 Å²	132.7	100%	1.128	76%	0.76	S	S	*	*				0	141	0	-72.3	-50.8	-168.5	0	0	108.2
2	H	27.1	Very low	27.8	Very low	172 Å²	172	138.9 Å²	138.9	80%	0.796	76%	0.761	S	S	*	*			trans	51.2	80.8	-174.7	-63.2	-73.2	0	0	0	115.5	V4	H2-V4 HydrophobicContact CB-CG2 4.28Å
3	A	24.7	Very low	28.1	Very low	106 Å²	106	145.3 Å²	145.3	88%	0.876	77%	0.77	S	S	*	*			trans	-79.7	138.3	131.3	0	0	0	0	0	107
4	V	29.4	Very low	28.1	Very low	114 Å²	114	141.5 Å²	141.5	69%	0.691	76%	0.755	S	S	*	*			trans	-144.5	136.4	172.2	179	0	0	0	0	106.5	H2	H2-V4 HydrophobicContact CB-CG2 4.28Å
5	E	25.5	Very low	28.6	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	75%	0.751	S	S	*	*			trans	-75.1	154.4	-177.6	-57.3	101	143.1	0	0	113.7
6	S	29.5	Very low	28.6	Very low	109 Å²	109	142.6 Å²	142.6	76%	0.762	75%	0.751	S	S	*	*			trans	-130.4	96.7	158.9	61.4	0	0	0	0	109.2	I8	S6-I8 PolarHBondContact O-N 3.15Å
7	I	26.6	Very low	29	Very low	141 Å²	141	142.5 Å²	142.5	72%	0.723	75%	0.75	S	S	*	*			trans	-73.8	119.5	-178.4	-61.7	174.5	0	0	0	109.3	V9	I7-V9 HydrophobicContact CG2-CG2 3.94Å; I7-V9 PolarHBondContact O-N 2.74Å
8	I	28.5	Very low	29.3	Very low	98 Å²	98	140.7 Å²	140.7	50%	0.503	75%	0.75	S	S	.	*			trans	-75.4	92.7	172.5	-58.4	179.4	0	0	0	108.8	S6 S10	S6-I8 PolarHBondContact O-N 3.15Å; I8-S10 PolarHBondContact O-N 3.12Å; I8-S10 VanDerWaalsContact O-N 3.14Å
9	V	27	Very low	29.4	Very low	120 Å²	120	141.5 Å²	141.5	73%	0.727	76%	0.755	S	S	*	*			trans	-80.5	88.1	171.3	-174.9	0	0	0	0	109.2	I7	I7-V9 HydrophobicContact CG2-CG2 3.94Å; I7-V9 PolarHBondContact O-N 2.74Å
10	S	28.1	Very low	29.5	Very low	80 Å²	80	143.6 Å²	143.6	56%	0.559	76%	0.76	S	S	*	*			trans	-66.8	130.8	163	-50.3	0	0	0	0	109.4	I8 R12	I8-S10 PolarHBondContact O-N 3.12Å; I8-S10 VanDerWaalsContact O-N 3.14Å; S10-R12 PolarHBondContact O-N 2.92Å
11	P	29.3	Very low	29.6	Very low	126 Å²	126	142 Å²	142	82%	0.818	76%	0.756	S	S	*	*			trans	-70	91.7	175.2	28.6	-33.7	0	0	0	110
12	R	31.7	Very low	29.7	Very low	207 Å²	207	138.7 Å²	138.7	78%	0.781	74%	0.738	S	S	*	*			trans	-70.5	137.5	171	-71.4	-169	-175.1	164.1	9.9	109.8	S10 T14	S10-R12 PolarHBondContact O-N 2.92Å; R12-T14 PolarHBondContact O-N 3.16Å
13	Y	31.2	Very low	29.8	Very low	222 Å²	222	135.8 Å²	135.8	87%	0.871	73%	0.727	S	S	*	*			trans	-60.1	102.2	165.4	-89	-102.5	0	0	0	110.3	K15	Y13-K15 PolarHBondContact O-N 2.79Å
14	T	28	Very low	30	Very low	92 Å²	92	140.9 Å²	140.9	56%	0.564	73%	0.726	S	S	*	*			trans	-73.1	106	163.8	43.7	0	0	0	0	108.6	R12 R840	R12-T14 PolarHBondContact O-N 3.16Å; T14-R840 VanDerWaalsContact O-CZ 3.22Å; T14-R840 PolarHBondContact O-NE 2.96Å; T14-R840 PolarHBondContact O-NH2 2.91Å
15	K	35.4	Very low	30.2	Very low	161 Å²	161	142.4 Å²	142.4	70%	0.7	72%	0.723	S	S	*	*			trans	-94.2	106.4	157.7	-107.3	-163.5	174.4	-170	0	106.6	Y13 I17	Y13-K15 PolarHBondContact O-N 2.79Å; K15-I17 PolarHBondContact O-N 2.96Å
16	N	29.5	Very low	30.5	Very low	140 Å²	140	137.9 Å²	137.9	75%	0.749	70%	0.704	S	S	*	*			trans	-67.3	125.4	163.9	-62.6	7.4	0	0	0	107.1
17	I	34.7	Very low	30.6	Very low	141 Å²	141	134.5 Å²	134.5	72%	0.723	68%	0.681	S	S	*	*			trans	-130.7	114.2	159.1	-65.5	-178.8	0	0	0	103.6	K15	K15-I17 PolarHBondContact O-N 2.96Å
18	S	35.3	Very low	30.9	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	68%	0.679	S	S	*	*			trans	-67.7	151.7	171.1	41.7	0	0	0	0	109.7
19	N	29.9	Very low	30.9	Very low	156 Å²	156	135.2 Å²	135.2	83%	0.834	69%	0.687	S	S	*	*			trans	-61.2	141.4	180	-54.4	-33.4	0	0	0	111
20	E	31.9	Very low	31.1	Very low	184 Å²	184	138.6 Å²	138.6	86%	0.86	70%	0.695	S	S	*	*			trans	-152.1	124.6	131.7	-113	165.9	-154.2	0	0	110.4
21	T	31.8	Very low	31	Very low	111 Å²	111	144 Å²	144	68%	0.681	70%	0.703	S	S	*	*			trans	35.6	106.8	149	1.4	0	0	0	0	121.6
22	E	29.5	Very low	31	Very low	158 Å²	158	145.4 Å²	145.4	74%	0.738	70%	0.703	S	S	*	*				66.2	114.8	126.3	-64.9	-172.2	144	0	0	121.1
23	L	29.3	Very low	30.8	Very low	111 Å²	111	144.5 Å²	144.5	58%	0.581	71%	0.705	S	S	*	*				72.9	124.3	99.8	-64.3	171.9	0	0	0	113.5
24	Y	27.7	Very low	30.7	Very low	214 Å²	214	144.5 Å²	144.5	84%	0.839	71%	0.705	S	S	*	*				-142.6	177	50.4	-105.2	-92.2	0	0	0	115.9
25	F	32.7	Very low	30.7	Very low	145 Å²	145	145.4 Å²	145.4	64%	0.636	71%	0.713	S	S	*	*			trans	-82.3	179.1	175.1	-88.1	-96.7	0	0	0	111.4	T1035 G1036	F25-T1035 CarbonylContact C-O 3.27Å; F25-T1035 VanDerWaalsContact C-O 3.27Å; F25-G1036 CarbonylContact O-C 3.53Å; F25-G1036 VanDerWaalsContact O-C 3.28Å
26	N	32.2	Very low	30.4	Very low	70 Å²	70	141.1 Å²	141.1	37%	0.374	71%	0.707	S	S	.	*			cis	-157.6	-150	10	-140.1	-47.4	0	0	0	106.9	L1033 T1035	N26-L1033 PolarHBondContact ND2-O 3.12Å; N26-T1035 VanDerWaalsContact CB-C 3.43Å; N26-T1035 WeakPolarHBondContact CB-O 3.09Å; N26-T1035 PolarHBondContact N-O 3.01Å
27	S	32.1	Very low	30.7	Very low	39 Å²	39	140.7 Å²	140.7	27%	0.273	70%	0.704	S	S	.	*			cis	-170.9	138.2	-9.9	35.2	0	0	0	0	110.7
28	N	32.2	Very low	30.5	Very low	128 Å²	128	137.9 Å²	137.9	68%	0.684	70%	0.696	S	S	*	*				-179.5	134.7	120.8	-107.6	-48.2	0	0	0	114.8
29	N	29.2	Very low	30.4	Very low	126 Å²	126	140.4 Å²	140.4	67%	0.674	69%	0.693	S	S	*	*			trans	20.7	109.4	152.1	-61.3	-40.5	0	0	0	121
30	Q	31.8	Very low	30.6	Very low	190 Å²	190	135.8 Å²	135.8	89%	0.888	67%	0.673	S	S	*	*				-169.6	152	86.7	-92.9	-169.4	10.3	0	0	111.8
31	R	25.6	Very low	31	Very low	195 Å²	195	129 Å²	129	74%	0.736	64%	0.639	S	S	*	*			trans	-92.9	120	-175.6	-73.9	176.3	171.2	164.8	-2.8	112.2	N1032	R31-N1032 PolarHBondContact NH2-ND2 2.84Å; R31-N1032 PolarHBondContact NH2-OD1 2.75Å
32	N	29.4	Very low	31	Very low	154 Å²	154	129 Å²	129	82%	0.824	64%	0.635	S	S	*	*			trans	-125.1	113.6	160.5	-95.5	-50.2	0	0	0	110.3
33	K	27.3	Very low	31.2	Very low	188 Å²	188	126.3 Å²	126.3	82%	0.817	62%	0.622	S	S	*	*			trans	-104.7	102.3	178	-81.4	-174	172.3	-175.8	0	110.8
34	Y	28.6	Very low	31.5	Very low	223 Å²	223	124.4 Å²	124.4	88%	0.875	61%	0.608	S	S	*	*			trans	-142.3	143.6	157.4	-79.5	-72.1	0	0	0	111.4
35	P	29.2	Very low	32	Very low	111 Å²	111	117.4 Å²	117.4	72%	0.721	58%	0.581	S	S	*	*			trans	-90.6	157.3	-166.2	35.4	-36.2	0	0	0	114.7	I37	P35-I37 PolarHBondContact O-N 2.94Å; P35-I37 VanDerWaalsContact O-N 3.16Å
36	A	28.3	Very low	31.9	Very low	70 Å²	70	114 Å²	114	58%	0.579	58%	0.579	S	S	*	*			trans	-40.9	106.2	-178.7	0	0	0	0	0	116.4
37	I	36	Very low	31.8	Very low	132 Å²	132	115 Å²	115	68%	0.677	59%	0.585	S	S	*	*	S	Bend	trans	-76.4	-36.6	172.1	-68.4	174.4	0	0	0	111.8	P35 K39 C40	P35-I37 PolarHBondContact O-N 2.94Å; P35-I37 VanDerWaalsContact O-N 3.16Å; I37-K39 PolarHBondContact O-N 3.09Å; I37-C40 PolarHBondContact O-N 2.97Å; I37-C40 VanDerWaalsContact O-N 3.16Å
38	S	31.1	Very low	31.8	Very low	81 Å²	81	120.8 Å²	120.8	57%	0.566	60%	0.6	S	S	*	*	H	α-helix	trans	-54.6	-51.9	-174.8	51.5	0	0	0	0	113.6	C40 R41	S38-C40 PolarHBondContact O-N 3.07Å; S38-R41 PolarHBondContact O-N 3.13Å
39	K	33.2	Very low	31.6	Very low	162 Å²	162	118.9 Å²	118.9	70%	0.704	59%	0.593	S	S	*	*	H	α-helix	trans	-64.5	-9.7	-177.8	-68.9	-173.5	178.8	178.9	0	115.3	I37	I37-K39 PolarHBondContact O-N 3.09Å
40	C	32.9	Very low	31.5	Very low	59 Å²	59	117.1 Å²	117.1	40%	0.399	59%	0.591	S	S	.	*	H	α-helix	trans	-98.9	-12.7	174	-88.8	0	0	0	0	113.7	I37 S38 K676	I37-C40 PolarHBondContact O-N 2.97Å; I37-C40 VanDerWaalsContact O-N 3.16Å; S38-C40 PolarHBondContact O-N 3.07Å; C40-K676 PolarHBondContact SG-NZ 3.22Å; C40-K676 VanDerWaalsContact SG-NZ 3.43Å
41	R	40.6	Very low	31.2	Very low	43 Å²	43	116.2 Å²	116.2	16%	0.162	58%	0.58	C	S	.	*	H	α-helix	trans	-81.6	-50.9	-174.5	-157.1	162.6	174.8	172.5	-2.6	110.6	S38 Q43 Y44 Y479 E584 P590	S38-R41 PolarHBondContact O-N 3.13Å; R41-Q43 PolarHBondContact O-N 3.46Å; R41-Y44 PolarHBondContact O-N 3.37Å; R41-Y479 VanDerWaalsContact CD-OH 3.32Å; R41-Y479 WeakPolarHBondContact CD-OH 3.45Å; R41-Y479 PolarHBondContact NE-OH 2.9Å; R41-E584 IonicContact CZ-OE1 2.72Å; R41-E584 IonicContact NH2-OE1 2.75Å; R41-E584 PolarHBondContact NH2-OE1 3.41Å; R41-P590 VanDerWaalsContact NH2-CG 3.32Å
42	D	33.2	Very low	31.3	Very low	111 Å²	111	110.6 Å²	110.6	59%	0.594	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-40.7	-174.8	-49.3	-28	0	0	0	113.2	Y44	D42-Y44 VanDerWaalsContact C-N 3.29Å; D42-Y44 PolarHBondContact O-N 3.3Å
43	Q	33.4	Very low	31.1	Very low	100 Å²	100	108.5 Å²	108.5	47%	0.467	56%	0.561	S	S	.	*	H	α-helix	trans	-70.5	-21.3	179.1	-162	72.9	57.4	0	0	113.2	R41 Y45 D47	R41-Q43 PolarHBondContact O-N 3.46Å; Q43-Y45 VanDerWaalsContact C-N 3.32Å; Q43-D47 PolarHBondContact NE2-OD2 3.26Å
44	Y	35.8	Very low	31	Very low	71 Å²	71	109.5 Å²	109.5	28%	0.278	56%	0.561	S	S	.	*	H	α-helix	trans	-83.3	-8.9	-175.7	-131.4	-77.9	0	0	0	113.5	R41 D42 E595	R41-Y44 PolarHBondContact O-N 3.37Å; D42-Y44 VanDerWaalsContact C-N 3.29Å; D42-Y44 PolarHBondContact O-N 3.3Å; Y44-E595 WeakPolarHBondContact OH-CB 3.28Å; Y44-E595 PolarHBondContact OH-OE2 3.31Å
45	Y	36.8	Very low	30.8	Very low	68 Å²	68	102.9 Å²	102.9	27%	0.267	55%	0.548	S	S	.	.	H	α-helix	trans	-112.8	-27.6	-175.2	-83.7	-76.6	0	0	0	114.7	Q43 D47 F557	Q43-Y45 VanDerWaalsContact C-N 3.32Å; Y45-D47 VanDerWaalsContact C-N 3.32Å; Y45-F557 HydrophobicContact CE2-CE2 4.07Å; Y45-F557 HydrophobicContact CE2-CZ 4.23Å; Y45-F557 AromaticContact CZ-CE2 3.93Å; Y45-F557 VanDerWaalsContact OH-CD1 3.25Å; Y45-F557 WeakPolarHBondContact OH-CD1 3.45Å; Y45-F557 WeakPolarHBondContact OH-CD2 3.39Å; Y45-F557 VanDerWaalsContact OH-CE1 3.22Å; Y45-F557 WeakPolarHBondContact OH-CE1 3.5Å; Y45-F557 WeakPolarHBondContact OH-CE2 3.3Å; Y45-F557 WeakPolarHBondContact OH-CG 3.38Å; Y45-F557 WeakPolarHBondContact OH-CZ 3.38Å
46	A	32.2	Very low	30.7	Very low	72 Å²	72	103 Å²	103	60%	0.595	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-37.3	171.6	0	0	0	0	0	112
47	D	29.8	Very low	30.7	Very low	93 Å²	93	107.3 Å²	107.3	50%	0.497	56%	0.557	S	S	.	*	S	Bend	trans	-100.7	100.6	-175.2	-67.7	-50.4	0	0	0	112.2	Q43 Y45	Q43-D47 PolarHBondContact NE2-OD2 3.26Å; Y45-D47 VanDerWaalsContact C-N 3.32Å
48	R	30.9	Very low	30.5	Very low	160 Å²	160	110.4 Å²	110.4	60%	0.604	57%	0.568	S	S	*	*			trans	136.8	72.5	153.6	-71.5	161.6	-166.2	-167.4	8.4	115.3
49	V	29.3	Very low	30.3	Very low	88 Å²	88	117 Å²	117	53%	0.533	58%	0.581	S	S	.	*	S	Bend	trans	-124.6	29.9	156.3	-160.4	0	0	0	0	110.9
50	S	25.9	Very low	30.1	Very low	89 Å²	89	116.8 Å²	116.8	62%	0.622	59%	0.587	S	S	*	*			trans	-123.9	30.4	-166.4	46.5	0	0	0	0	113.9
51	Y	26.3	Very low	30	Very low	170 Å²	170	121.9 Å²	121.9	67%	0.667	61%	0.61	S	S	*	*			trans	-138.1	87.8	175.9	-88	-85.4	0	0	0	112.3
52	I	27.5	Very low	29.6	Very low	77 Å²	77	131 Å²	131	40%	0.395	65%	0.645	S	S	.	*			trans	-138.6	147.7	159	-56.7	-178.9	0	0	0	107.2
53	S	25.6	Very low	29.5	Very low	110 Å²	110	133.2 Å²	133.2	77%	0.769	66%	0.657	S	S	*	*			trans	56	79.9	175.1	67.6	0	0	0	0	117.2
54	Y	24	Very low	29.4	Very low	209 Å²	209	136.5 Å²	136.5	82%	0.82	68%	0.677	S	S	*	*			trans	-110.7	91.4	138.1	-135.8	-68.7	0	0	0	108
55	S	25.6	Very low	29.3	Very low	85 Å²	85	138.2 Å²	138.2	59%	0.594	70%	0.699	S	S	*	*			trans	-77.3	127.6	170.6	-177.6	0	0	0	0	108.8	H57	S55-H57 PolarHBondContact O-N 3.4Å
56	P	25.8	Very low	29	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	73%	0.727	S	S	*	*	S	Bend	trans	-78.5	45.8	-173.9	33.1	-36.5	0	0	0	113.4
57	H	29.9	Very low	29	Very low	160 Å²	160	147.4 Å²	147.4	74%	0.741	73%	0.73	S	S	*	*			trans	-129	49.3	-176.7	-75.4	-14.6	0	0	0	113.3	S55	S55-H57 PolarHBondContact O-N 3.4Å
58	Q	30.5	Very low	29.1	Very low	196 Å²	196	150.3 Å²	150.3	92%	0.916	75%	0.745	S	S	*	*			trans	-160.7	56.8	158.2	-115.9	166.8	66.3	0	0	113
59	R	28	Very low	29.2	Very low	220 Å²	220	148.6 Å²	148.6	83%	0.83	75%	0.753	S	S	*	*			trans	-133.1	80.7	166.2	-88.5	-170.3	172.2	176.7	-0.9	110.7
60	N	29.2	Very low	29.4	Very low	158 Å²	158	150.2 Å²	150.2	85%	0.845	76%	0.763	S	S	*	*			trans	-176.9	99.3	153	-95	-13.3	0	0	0	107.9
61	N	30.4	Very low	29.8	Very low	165 Å²	165	150.6 Å²	150.6	88%	0.882	77%	0.765	S	S	*	*			trans	-175	58.3	163.2	-102.4	-17.8	0	0	0	111.3
62	R	31.4	Very low	30.1	Very low	235 Å²	235	151.7 Å²	151.7	89%	0.887	77%	0.774	S	S	*	*	S	Bend	trans	-140.2	143.4	156.5	-74.7	-165.8	174	178.5	-1.8	108
63	N	31.7	Very low	30.5	Very low	157 Å²	157	152.9 Å²	152.9	84%	0.84	79%	0.785	S	S	*	*			trans	69.7	95.9	-177.1	-48.3	-10.6	0	0	0	114.9
64	L	30.3	Very low	30.8	Very low	169 Å²	169	156.8 Å²	156.8	89%	0.885	78%	0.783	S	S	*	*				178.7	86.9	129.9	-98.9	166.1	0	0	0	113.7
65	S	33.9	Very low	31.2	Very low	108 Å²	108	155.6 Å²	155.6	76%	0.755	78%	0.777	S	S	*	*			trans	-171.1	100.8	151.4	52.7	0	0	0	0	107.1
66	R	32	Very low	31.4	Very low	227 Å²	227	158.1 Å²	158.1	86%	0.857	78%	0.784	S	S	*	*				57.1	126.1	86.7	-77.1	-171.7	170	178.1	-3	112.9
67	T	31.8	Very low	31.8	Very low	106 Å²	106	159.1 Å²	159.1	65%	0.65	79%	0.788	S	S	*	*			cis	164.1	136.4	-15	20.7	0	0	0	0	104.5
68	N	30.5	Very low	31.7	Very low	153 Å²	153	159.9 Å²	159.9	82%	0.818	79%	0.792	S	S	*	*			trans	68.6	151.6	171.9	-45	-16	0	0	0	113
69	V	34.2	Very low	31.8	Very low	125 Å²	125	156.9 Å²	156.9	76%	0.758	79%	0.787	S	S	*	*			cis	-143.1	150.2	31.1	161.1	0	0	0	0	110.7
70	T	32.7	Very low	31.8	Very low	122 Å²	122	156 Å²	156	75%	0.748	79%	0.785	S	S	*	*			trans	4.5	157.2	164.2	66.7	0	0	0	0	121.9
71	S	34.8	Very low	31.9	Very low	97 Å²	97	155.1 Å²	155.1	68%	0.678	78%	0.78	S	S	*	*			cis	-165.2	157.3	20.4	-2.9	0	0	0	0	113
72	F	32.3	Very low	31.9	Very low	192 Å²	192	153.7 Å²	153.7	84%	0.842	77%	0.772	S	S	*	*			trans	22.4	139	132.4	-78.9	-128.9	0	0	0	119.2
73	T	35.9	Very low	32	Very low	102 Å²	102	147.1 Å²	147.1	63%	0.626	76%	0.762	S	S	*	*			cis	-168.1	160.6	19.4	-3.5	0	0	0	0	114.3
74	R	32.5	Very low	32.1	Very low	193 Å²	193	144.1 Å²	144.1	73%	0.728	75%	0.754	S	S	*	*			trans	35	147.4	138.6	-71.6	169	-177	-169	3.8	120.8
75	R	32.2	Very low	32.2	Very low	183 Å²	183	143 Å²	143	69%	0.691	75%	0.748	S	S	*	*			cis	-166	170.8	1.7	-124.2	165.3	-170.2	176.1	-0.7	111.6
76	N	30.3	Very low	32.1	Very low	139 Å²	139	144.4 Å²	144.4	74%	0.743	75%	0.746	S	S	*	*			trans	-14.9	152.1	151.3	-47.7	17.2	0	0	0	116.3
77	T	33	Very low	32	Very low	134 Å²	134	138.7 Å²	138.7	82%	0.822	74%	0.74	S	S	*	*				-147.9	171.6	51	43.9	0	0	0	0	116.5
78	Q	28.9	Very low	31.9	Very low	177 Å²	177	141.2 Å²	141.2	83%	0.827	75%	0.749	S	S	*	*			trans	-73.5	164.4	170.8	-56.9	150	-74	0	0	111.8
79	V	31.1	Very low	32.1	Very low	133 Å²	133	138.7 Å²	138.7	81%	0.806	74%	0.742	S	S	*	*				177.2	147.8	109.8	154.4	0	0	0	0	111.4
80	Y	28.8	Very low	31.9	Very low	201 Å²	201	143.7 Å²	143.7	79%	0.788	75%	0.747	S	S	*	*			trans	-20.9	165.8	174.8	-87.6	-99.1	0	0	0	125.2
81	D	32.3	Very low	31.7	Very low	139 Å²	139	142.4 Å²	142.4	74%	0.743	74%	0.742	S	S	*	*			trans	67.5	151.3	150.8	-64.9	-29.7	0	0	0	120.8
82	D	30.5	Very low	31.6	Very low	135 Å²	135	146.4 Å²	146.4	72%	0.722	75%	0.748	S	S	*	*			cis	-170.9	168.7	-30.7	-175.1	21.9	0	0	0	105.7
83	S	32.7	Very low	31.5	Very low	97 Å²	97	143.8 Å²	143.8	68%	0.678	74%	0.742	S	S	*	*			trans	70.4	150.6	160.6	87.4	0	0	0	0	116.5
84	S	32.6	Very low	31.2	Very low	95 Å²	95	145.5 Å²	145.5	66%	0.664	75%	0.747	S	S	*	*			cis	-168.7	177.4	-15.8	44.7	0	0	0	0	112
85	L	33.5	Very low	31.2	Very low	145 Å²	145	141 Å²	141	76%	0.759	75%	0.746	S	S	*	*			trans	80.8	112.7	155.4	-55	-170.5	0	0	0	122.1
86	L	31.6	Very low	31.2	Very low	137 Å²	137	139.8 Å²	139.8	72%	0.717	75%	0.753	S	S	*	*				76.9	97.1	122.3	-62.9	173.8	0	0	0	122.5
87	C	29.8	Very low	31.3	Very low	108 Å²	108	138.4 Å²	138.4	73%	0.73	75%	0.754	S	S	*	*				61.4	109.4	105.2	-69.8	0	0	0	0	123
88	N	29	Very low	31.2	Very low	158 Å²	158	137 Å²	137	85%	0.845	75%	0.75	S	S	*	*				74.1	169.8	121.8	-106	-5.6	0	0	0	118.9
89	P	36	Very low	31.5	Very low	101 Å²	101	139.1 Å²	139.1	66%	0.656	76%	0.757	S	S	*	*			trans	-133.8	177.7	-133.6	39.6	-19.2	0	0	0	116.3
90	R	28.7	Very low	31.5	Very low	230 Å²	230	137.8 Å²	137.8	87%	0.868	75%	0.753	S	S	*	*			trans	129	128.9	148.1	-74.8	-179.1	166.4	-172.3	-3.3	115
91	S	29.2	Very low	31.8	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	75%	0.753	S	S	*	*				88.4	155.2	129.5	67.8	0	0	0	0	122.6
92	F	32	Very low	31.9	Very low	182 Å²	182	133.4 Å²	133.4	80%	0.798	75%	0.751	S	S	*	*			trans	76.1	96.4	164.5	-63.1	-69.7	0	0	0	121.7
93	L	30.2	Very low	32.2	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	76%	0.755	S	S	*	*				38.2	118.9	121.9	-70.9	170.5	0	0	0	121.9
94	N	30.9	Very low	32.4	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	76%	0.755	S	S	*	*				80	152.2	127.8	-74	7.7	0	0	0	124.3
95	S	32.4	Very low	32.5	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	76%	0.759	S	S	*	*			trans	78.4	94.9	151.4	38.8	0	0	0	0	121.4
96	D	31.6	Very low	32.4	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	76%	0.764	S	S	*	*				71.1	165.2	114.9	-66.7	-33.4	0	0	0	123.1
97	S	32.5	Very low	32.4	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	77%	0.766	S	S	*	*			trans	66.8	112.6	-171	70.1	0	0	0	0	115
98	S	31.7	Very low	32.5	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	77%	0.767	S	S	*	*			cis	85.6	108.5	32.1	86.5	0	0	0	0	115.5
99	F	34.1	Very low	32.7	Very low	221 Å²	221	136.4 Å²	136.4	97%	0.969	76%	0.756	S	S	*	*			trans	-149.3	159	145	-104	-74.2	0	0	0	109.7
100	S	32.1	Very low	32.6	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	76%	0.763	S	S	*	*			trans	-132.2	162.4	-166.7	66.1	0	0	0	0	112.7
101	C	33.5	Very low	32.9	Very low	115 Å²	115	135.4 Å²	135.4	78%	0.777	76%	0.755	S	S	*	*			trans	-164.5	117.9	154.7	-98.8	0	0	0	0	112.2
102	N	35.8	Very low	33.1	Very low	133 Å²	133	136.1 Å²	136.1	71%	0.711	76%	0.758	S	S	*	*				30.5	146.1	127.2	-51.3	-15.9	0	0	0	120.2
103	H	35.7	Very low	33.3	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.806	75%	0.754	S	S	*	*			cis	-162.8	166.2	-0.6	-121.1	-51.5	0	0	0	108.7
104	P	37	Very low	33.6	Very low	102 Å²	102	133.7 Å²	133.7	66%	0.662	76%	0.757	S	S	*	*			trans	-113.5	164.3	-179.3	39.8	-30	0	0	0	114.9
105	Q	36	Very low	33.6	Very low	161 Å²	161	131.7 Å²	131.7	75%	0.752	75%	0.746	S	S	*	*				173.9	146.2	128	-98.6	-169.5	81.3	0	0	116.8
106	R	29.9	Very low	33.6	Very low	230 Å²	230	136.9 Å²	136.9	87%	0.868	75%	0.752	S	S	*	*			trans	39.3	136.2	144	-64.7	-175.3	174.1	-171.3	-2.2	124
107	G	32.4	Very low	33.5	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	75%	0.751	S	S	*	*			trans	109.4	154.3	147.2	0	0	0	0	0	116
108	S	32.2	Very low	33.5	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	75%	0.752	S	S	*	*			cis	-177.6	140.9	-25.7	38.8	0	0	0	0	111.6
109	S	32.5	Very low	33.4	Very low	89 Å²	89	137.5 Å²	137.5	62%	0.622	76%	0.76	S	S	*	*			trans	74.2	152.8	144.2	70.8	0	0	0	0	123.4
110	F	33.6	Very low	33.4	Very low	182 Å²	182	135.3 Å²	135.3	80%	0.798	76%	0.757	S	S	*	*			trans	72.2	149.9	161.6	-59.9	-61	0	0	0	119.1
111	N	36.1	Very low	33.3	Very low	129 Å²	129	137.9 Å²	137.9	69%	0.69	76%	0.762	S	S	*	*			cis	-148.6	168.3	5.7	-140.5	-19.5	0	0	0	114.4
112	C	32.3	Very low	33.7	Very low	108 Å²	108	138.5 Å²	138.5	73%	0.73	76%	0.764	S	S	*	*			trans	18.3	156.5	148.1	-77.8	0	0	0	0	121.7
113	S	36.6	Very low	33.8	Very low	102 Å²	102	136 Å²	136	71%	0.713	77%	0.769	S	S	*	*			cis	177.7	164.4	5.2	42.4	0	0	0	0	106.8
114	Q	36.4	Very low	33.8	Very low	167 Å²	167	139.3 Å²	139.3	78%	0.78	78%	0.775	S	S	*	*			cis	-171.6	-162.6	-11.2	-104.8	-151.1	96.7	0	0	104.8
115	N	31.2	Very low	33.9	Very low	94 Å²	94	139 Å²	139	50%	0.503	77%	0.773	S	S	.	*				-168.3	154.3	-57.3	-171.3	6	0	0	0	107
116	Y	32.6	Very low	33.8	Very low	209 Å²	209	142.2 Å²	142.2	82%	0.82	78%	0.778	S	S	*	*			trans	62.6	157.5	-178.3	-47.5	-72.5	0	0	0	116.6
117	G	30.1	Very low	34	Very low	78 Å²	78	138.1 Å²	138.1	80%	0.804	77%	0.77	S	S	*	*			cis	152.7	139.3	-9.8	0	0	0	0	0	112.5
118	G	32.8	Very low	34.1	Very low	77 Å²	77	138.5 Å²	138.5	79%	0.794	76%	0.761	S	S	*	*			trans	151.2	138.4	172.5	0	0	0	0	0	115.5
119	Y	28.2	Very low	34.1	Very low	231 Å²	231	139.1 Å²	139.1	91%	0.906	76%	0.757	S	S	*	*			trans	-118.1	152.9	174.1	-71.9	-103.7	0	0	0	110.1
120	L	34.1	Very low	34.1	Very low	175 Å²	175	142.6 Å²	142.6	92%	0.916	76%	0.763	S	S	*	*			trans	-177	165.6	130.4	-98.8	160.8	0	0	0	112.8
121	L	30.7	Very low	34.2	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	76%	0.76	S	S	*	*			trans	-126.6	-174.9	-177.9	-78	168.6	0	0	0	108.2
122	P	40.8	Very low	34	Very low	128 Å²	128	138 Å²	138	83%	0.831	76%	0.758	S	S	*	*			cis	-132.7	175.5	-2.5	28.5	-5.6	0	0	0	116
123	G	38.2	Very low	33.9	Very low	79 Å²	79	142 Å²	142	81%	0.814	76%	0.763	S	S	*	*			trans	-165.6	125.6	164.5	0	0	0	0	0	112.9
124	R	35.7	Very low	33.6	Very low	244 Å²	244	141 Å²	141	92%	0.921	76%	0.756	S	S	*	*			trans	-144	175.8	-175.3	-119.8	-169.9	178.8	-160.1	3.9	108.6
125	P	39.8	Very low	33.4	Very low	96 Å²	96	142.3 Å²	142.3	62%	0.623	76%	0.755	S	S	*	*			cis	-126.2	167.4	-15	28.3	-6.1	0	0	0	112.7
126	R	33.8	Very low	33.4	Very low	229 Å²	229	145.4 Å²	145.4	86%	0.864	77%	0.771	S	S	*	*				165.9	153.8	88.7	-84.8	-171	168.1	153.8	-3.1	106.7
127	M	34.6	Very low	33.1	Very low	143 Å²	143	140.5 Å²	140.5	70%	0.704	77%	0.768	S	S	*	*			cis	-157.6	143.5	-9.7	-95.9	-113.8	61.4	0	0	109
128	S	33.7	Very low	33.5	Very low	82 Å²	82	141.5 Å²	141.5	57%	0.573	76%	0.76	S	S	*	*			trans	33.6	141.7	149.8	54	0	0	0	0	122.8
129	N	33	Very low	33.4	Very low	121 Å²	121	142.9 Å²	142.9	65%	0.647	76%	0.757	S	S	*	*			cis	-156.7	140	-1.2	-102.1	-8.5	0	0	0	108.9
130	Q	31.6	Very low	33.5	Very low	161 Å²	161	139.2 Å²	139.2	75%	0.752	75%	0.752	S	S	*	*				55.5	129	103.1	-49.7	179.2	33.3	0	0	114.1
131	T	35.5	Very low	33.4	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	75%	0.746	S	S	*	*			cis	-141.9	127.2	32.8	47.6	0	0	0	0	115.3
132	S	32.3	Very low	33.3	Very low	94 Å²	94	137.3 Å²	137.3	66%	0.657	74%	0.743	S	S	*	*				42	124.1	129.1	69.6	0	0	0	0	121.8
133	K	30.4	Very low	32.8	Very low	192 Å²	192	137.8 Å²	137.8	84%	0.835	74%	0.737	S	S	*	*				65.4	146.1	96.3	-64	179.7	177.5	-176.8	0	114.6
134	S	30.6	Very low	32.3	Very low	81 Å²	81	138.6 Å²	138.6	57%	0.566	73%	0.731	S	S	*	*			cis	-179.6	164.7	-3.5	44.6	0	0	0	0	106.2
135	Y	31.7	Very low	32.2	Very low	195 Å²	195	133 Å²	133	77%	0.765	73%	0.729	S	S	*	*			cis	-171.1	164.3	42.6	-97.6	-64.1	0	0	0	110.4
136	L	32.2	Very low	31.7	Very low	159 Å²	159	131.6 Å²	131.6	83%	0.832	73%	0.732	S	S	*	*			trans	51.8	136.3	141.6	-65.2	165	0	0	0	123.7
137	S	24.8	Very low	31.7	Very low	107 Å²	107	127.4 Å²	127.4	75%	0.748	73%	0.732	S	S	*	*			trans	-103.6	-174.6	154.9	-148.6	0	0	0	0	107.8
138	P	38.6	Very low	31.4	Very low	98 Å²	98	125.5 Å²	125.5	64%	0.636	73%	0.732	S	S	*	*			cis	-140.2	178.4	-8.4	43.4	-26	0	0	0	116.2
139	S	30.1	Very low	31.3	Very low	106 Å²	106	126.8 Å²	126.8	74%	0.741	73%	0.732	S	S	*	*			trans	75	163.7	142.1	-66.5	0	0	0	0	124.4
140	I	31.5	Very low	31.3	Very low	154 Å²	154	127.7 Å²	127.7	79%	0.79	73%	0.726	S	S	*	*			trans	81.2	138	159.7	-15.6	180	0	0	0	120.2
141	L	31.1	Very low	31.2	Very low	153 Å²	153	123.5 Å²	123.5	80%	0.801	72%	0.715	S	S	*	*			trans	71	125	169.6	-50	179.4	0	0	0	116
142	N	28.3	Very low	31.2	Very low	142 Å²	142	126 Å²	126	76%	0.759	72%	0.723	S	S	*	*			cis	85.4	145	24.3	-156.8	17.7	0	0	0	115.4
143	L	31.2	Very low	31.1	Very low	137 Å²	137	128.1 Å²	128.1	72%	0.717	72%	0.716	S	S	*	*			trans	78.2	93	175.4	-61.5	170.4	0	0	0	119.6
144	S	28.2	Very low	31.2	Very low	97 Å²	97	125.9 Å²	125.9	68%	0.678	71%	0.713	S	S	*	*				49	140.7	121	63.6	0	0	0	0	124.3
145	S	32.2	Very low	31.4	Very low	127 Å²	127	130.4 Å²	130.4	89%	0.888	73%	0.73	S	S	*	*			trans	90.1	147.3	152.3	81.8	0	0	0	0	118.9
146	G	30.6	Very low	31.4	Very low	66 Å²	66	131.8 Å²	131.8	68%	0.68	73%	0.734	S	S	*	*			trans	118.7	97.5	169.1	0	0	0	0	0	117.5
147	T	33	Very low	31.6	Very low	141 Å²	141	134.3 Å²	134.3	87%	0.865	74%	0.739	S	S	*	*			trans	10	152.6	131.3	50.9	0	0	0	0	121.8
148	C	29.3	Very low	31.8	Very low	103 Å²	103	134.7 Å²	134.7	70%	0.696	74%	0.741	S	S	*	*			cis	-176.4	167.4	-17.9	-158.6	0	0	0	0	110.6
149	N	31.6	Very low	31.7	Very low	109 Å²	109	135.8 Å²	135.8	58%	0.583	75%	0.748	S	S	*	*			trans	68.5	118.3	151.7	-78.3	-36.2	0	0	0	124.4
150	R	32.1	Very low	31.8	Very low	139 Å²	139	139.1 Å²	139.1	53%	0.525	75%	0.752	S	S	.	*				77.4	109.5	120.6	-65.4	169.3	-174	-124.5	1.4	123.8	L217	R150-L217 VanDerWaalsContact CZ-O 3.26Å; R150-L217 PolarHBondContact NH1-O 2.81Å; R150-L217 PolarHBondContact NH2-O 3.47Å
151	S	30.9	Very low	31.8	Very low	73 Å²	73	143.4 Å²	143.4	51%	0.51	76%	0.758	S	S	.	*				38.9	133.4	111.4	-166.5	0	0	0	0	122.1
152	L	33.8	Very low	31.9	Very low	172 Å²	172	144.4 Å²	144.4	90%	0.901	76%	0.759	S	S	*	*			trans	-143.5	141.4	148.6	-103.6	172.6	0	0	0	110.1
153	R	31.8	Very low	32.2	Very low	140 Å²	140	145.9 Å²	145.9	53%	0.528	77%	0.765	S	S	.	*			trans	-115.2	163.5	172.8	-67.9	-168.6	-169.3	123.2	5	111.2	E214 D216	R153-E214 IonicContact CZ-OE2 3.4Å; R153-E214 IonicContact NH2-OE2 3.44Å; R153-E214 PolarHBondContact NH2-OE2 2.9Å; R153-D216 IonicContact CZ-OD2 3.58Å; R153-D216 IonicContact NH1-OD2 2.66Å; R153-D216 PolarHBondContact NH1-OD2 2.93Å; R153-D216 IonicContact NH2-OD2 3.36Å; R153-D216 PolarHBondContact NH2-OD2 3.42Å
154	D	32.8	Very low	32.2	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	76%	0.758	S	S	*	*			trans	59.7	121.8	158	-62.9	-43.2	0	0	0	120.2
155	L	34.6	Very low	32.3	Very low	176 Å²	176	144.9 Å²	144.9	92%	0.921	77%	0.768	S	S	*	*				-164.5	147.2	112	-104.3	165.7	0	0	0	112.3
156	R	31.3	Very low	32.3	Very low	225 Å²	225	143.6 Å²	143.6	85%	0.849	76%	0.76	S	S	*	*			trans	-97.2	143.9	175.3	-64.1	170.7	171.3	165.8	-6	110.7
157	K	35.8	Very low	32.4	Very low	212 Å²	212	151.2 Å²	151.2	92%	0.922	77%	0.768	S	S	*	*				165	145.7	122.9	-89.2	160	-177.4	-178.3	0	113.2
158	S	29.3	Very low	32.3	Very low	115 Å²	115	154.4 Å²	154.4	80%	0.804	77%	0.765	S	S	*	*			trans	-77.9	174	168.2	-26.2	0	0	0	0	111.2
159	P	37.3	Very low	32.7	Very low	121 Å²	121	153.9 Å²	153.9	79%	0.786	76%	0.761	S	S	*	*				-145.1	-169.2	56.1	41.9	-20.9	0	0	0	117
160	E	30.9	Very low	32.7	Very low	175 Å²	175	157.8 Å²	157.8	82%	0.818	77%	0.769	S	S	*	*			trans	-64.6	160.9	-170.2	-50.3	138.2	137.1	0	0	116.5
161	R	33	Very low	32.7	Very low	244 Å²	244	159.7 Å²	159.7	92%	0.921	78%	0.781	S	S	*	*				-164.4	161.2	124.2	-105.7	164	-161.9	-149.4	2.2	113.6
162	H	32.8	Very low	32.7	Very low	175 Å²	175	161.7 Å²	161.7	81%	0.81	79%	0.79	S	S	*	*			trans	-80.4	157.6	-167.9	-55.4	-98.1	0	0	0	114.9
163	L	33.2	Very low	32.5	Very low	172 Å²	172	160.7 Å²	160.7	90%	0.901	79%	0.786	S	S	*	*			trans	154.8	149	130.7	-82.9	159.8	0	0	0	108.8
164	A	31.8	Very low	32.5	Very low	69 Å²	69	164.3 Å²	164.3	57%	0.57	81%	0.806	S	S	*	*			cis	175.1	130.3	-34.9	0	0	0	0	0	105.2
165	T	30.6	Very low	32.3	Very low	144 Å²	144	162.8 Å²	162.8	88%	0.883	81%	0.806	S	S	*	*			trans	47.9	121.4	155.3	57.6	0	0	0	0	121.9
166	S	32.6	Very low	32.4	Very low	101 Å²	101	160.3 Å²	160.3	71%	0.706	80%	0.8	S	S	*	*			trans	-175.2	115.7	130.5	-175.2	0	0	0	0	115.3
167	R	32.6	Very low	32.4	Very low	226 Å²	226	159.6 Å²	159.6	85%	0.853	80%	0.803	S	S	*	*			trans	53.9	105.5	140.2	-53.9	172.8	-161.6	-153.1	0.8	122.2
168	Y	30.4	Very low	32.3	Very low	207 Å²	207	154.6 Å²	154.6	81%	0.812	80%	0.802	S	S	*	*				13.7	162.6	106.1	-76.9	-104.9	0	0	0	119.9
169	P	38.7	Very low	32.2	Very low	93 Å²	93	160.2 Å²	160.2	60%	0.604	81%	0.805	S	S	*	*			cis	-156.3	-174.6	-33.2	45	-26	0	0	0	119.1
170	Y	30.9	Very low	32.1	Very low	190 Å²	190	161.1 Å²	161.1	75%	0.745	80%	0.804	S	S	*	*			trans	70.9	159.2	142.9	-73.6	-52.9	0	0	0	125.1
171	F	31.2	Very low	32	Very low	180 Å²	180	159.4 Å²	159.4	79%	0.789	80%	0.8	S	S	*	*			trans	70	143.9	161.5	-64.7	-66.1	0	0	0	119.9
172	T	31.1	Very low	32.1	Very low	115 Å²	115	157.8 Å²	157.8	71%	0.706	80%	0.8	S	S	*	*			cis	-160.5	161.9	-34.9	4	0	0	0	0	112
173	N	29.2	Very low	32	Very low	150 Å²	150	158.1 Å²	158.1	80%	0.802	80%	0.799	S	S	*	*			trans	-17.7	135.4	164	-62.4	-23.6	0	0	0	119.7
174	K	32.5	Very low	31.9	Very low	217 Å²	217	155.9 Å²	155.9	94%	0.943	80%	0.795	S	S	*	*			trans	-160.3	145.8	131.4	-109.4	162.6	-171.8	175.7	0	112
175	S	28.8	Very low	31.9	Very low	111 Å²	111	162 Å²	162	78%	0.776	81%	0.809	S	S	*	*			trans	-126.5	167.4	166.8	82.3	0	0	0	0	107.7
176	P	37.1	Very low	31.8	Very low	124 Å²	124	161.3 Å²	161.3	81%	0.805	81%	0.805	S	S	*	*				-148.3	-164.4	62.7	41	-19.3	0	0	0	115.8
177	K	30	Very low	31.8	Very low	210 Å²	210	166.2 Å²	166.2	91%	0.913	81%	0.809	S	S	*	*			trans	-74.8	146.7	-172.7	-50.2	155.4	-175.9	170.3	0	113.6
178	A	33.9	Very low	31.7	Very low	107 Å²	107	163 Å²	163	88%	0.884	81%	0.808	S	S	*	*			trans	-150.6	156.3	148.4	0	0	0	0	0	111.4
179	R	28.4	Very low	31.8	Very low	233 Å²	233	162.2 Å²	162.2	88%	0.879	81%	0.809	S	S	*	*			trans	-86	158.8	-173.3	-63.6	165.8	165.6	151.3	-8.7	112.3
180	N	34.9	Very low	31.4	Very low	141 Å²	141	161.6 Å²	161.6	75%	0.754	80%	0.8	S	S	*	*				-174.7	151.8	106.2	-89	-4.4	0	0	0	114.3
181	D	28.9	Very low	32	Very low	138 Å²	138	157 Å²	157	74%	0.738	79%	0.792	S	S	*	*			trans	-18.3	145.9	169.9	-41.9	-41.1	0	0	0	120.5
182	F	33.8	Very low	32.2	Very low	210 Å²	210	156.3 Å²	156.3	92%	0.921	79%	0.791	S	S	*	*			trans	-150.4	160.7	134.2	-112.8	-76.2	0	0	0	112.6
183	K	32.3	Very low	32.2	Very low	182 Å²	182	158 Å²	158	79%	0.791	78%	0.784	S	S	*	*			trans	-88.3	152.7	-164.5	-63.6	171	-178.2	173	0	113.5
184	P	30.3	Very low	32.6	Very low	126 Å²	126	155.6 Å²	155.6	82%	0.818	77%	0.772	S	S	*	*			trans	-76.6	142.6	176.1	32.1	-35	0	0	0	112.3
185	F	32.4	Very low	32.8	Very low	198 Å²	198	150.9 Å²	150.9	87%	0.868	75%	0.753	S	S	*	*			trans	-106	138.3	169.1	-110.2	-89.4	0	0	0	110.9
186	T	28.9	Very low	33.2	Very low	128 Å²	128	149.9 Å²	149.9	79%	0.785	74%	0.739	S	S	*	*			trans	-84.5	140.8	172.2	41.3	0	0	0	0	110.6
187	Y	31	Very low	33.2	Very low	204 Å²	204	147.8 Å²	147.8	80%	0.8	72%	0.72	S	S	*	*			trans	-140.4	120.7	166.9	-117.1	-85.3	0	0	0	112.2
188	L	31.8	Very low	33.6	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	70%	0.697	S	S	*	*			trans	-89.8	163.1	166.1	-87.9	135	0	0	0	110
189	K	30.7	Very low	33.8	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	69%	0.686	S	S	*	*			trans	54.3	87.1	169.7	-65	-176.4	172.8	-173.6	0	116.5
190	N	32.3	Very low	34.3	Very low	79 Å²	79	140.9 Å²	140.9	42%	0.422	68%	0.675	S	S	.	*			trans	-158.9	91.2	150.1	-77.4	-72.7	0	0	0	108.8	R193	N190-R193 PolarHBondContact ND2-NH2 2.83Å; N190-R193 VanDerWaalsContact ND2-NH2 3.16Å; N190-R193 VanDerWaalsContact OD1-CZ 3.24Å; N190-R193 PolarHBondContact OD1-NE 3.1Å; N190-R193 PolarHBondContact OD1-NH2 2.85Å
191	V	41.6	Very low	34.4	Very low	93 Å²	93	144.1 Å²	144.1	56%	0.564	68%	0.678	S	S	*	*	S	Bend	trans	-105.5	-32.9	177.5	179.1	0	0	0	0	111.8	R193 I367	V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 3.28Å; V191-I367 HydrophobicContact CG1-CD1 3.9Å
192	E	35.9	Very low	35.1	Very low	167 Å²	167	140.4 Å²	140.4	78%	0.78	66%	0.658	S	S	*	*	H	α-helix	trans	-67.8	-31.1	-179.5	-67.4	155.9	132	0	0	112.7	D194 H195	E192-D194 VanDerWaalsContact C-N 3.33Å; E192-D194 PolarHBondContact O-N 2.77Å; E192-H195 PolarHBondContact O-N 2.9Å
193	R	32.7	Very low	35.4	Very low	149 Å²	149	134.7 Å²	134.7	56%	0.562	63%	0.633	S	S	*	*	H	α-helix	trans	-64.8	-28.5	-176.7	-81	-159	-88.6	168.2	-14	114.8	N190 V191 H195 D196 I197	N190-R193 PolarHBondContact ND2-NH2 2.83Å; N190-R193 VanDerWaalsContact ND2-NH2 3.16Å; N190-R193 VanDerWaalsContact OD1-CZ 3.24Å; N190-R193 PolarHBondContact OD1-NE 3.1Å; N190-R193 PolarHBondContact OD1-NH2 2.85Å; V191-R193 VanDerWaalsContact C-N 3.33Å; V191-R193 PolarHBondContact O-N 3.28Å; R193-H195 VanDerWaalsContact C-N 3.31Å; R193-H195 PolarHBondContact O-N 2.95Å; R193-D196 PolarHBondContact O-N 2.71Å; R193-I197 WeakPolarHBondContact O-CB 3.37Å; R193-I197 WeakPolarHBondContact O-CD1 3.34Å; R193-I197 WeakPolarHBondContact O-CG1 3.37Å; R193-I197 PolarHBondContact O-N 2.84Å
194	D	36.2	Very low	35.4	Very low	101 Å²	101	128.7 Å²	128.7	54%	0.54	62%	0.622	S	S	.	*	H	α-helix	trans	-69.9	-29.6	179.4	-79.9	-21.6	0	0	0	112.3	E192 Q198	E192-D194 VanDerWaalsContact C-N 3.33Å; E192-D194 PolarHBondContact O-N 2.77Å; D194-Q198 WeakPolarHBondContact O-CB 3.34Å; D194-Q198 VanDerWaalsContact O-CG 3.27Å; D194-Q198 WeakPolarHBondContact O-CG 3.5Å; D194-Q198 PolarHBondContact O-N 3.42Å
195	H	37.8	Very low	35.3	Very low	118 Å²	118	129 Å²	129	55%	0.546	63%	0.628	S	S	.	*	H	α-helix	trans	-72.5	-39.3	174.5	-76.7	-62.4	0	0	0	112.3	E192 R193 Q198 R199	E192-H195 PolarHBondContact O-N 2.9Å; R193-H195 VanDerWaalsContact C-N 3.31Å; R193-H195 PolarHBondContact O-N 2.95Å; H195-Q198 PolarHBondContact O-N 3.23Å; H195-R199 PolarHBondContact O-N 3.41Å
196	D	35.9	Very low	35.3	Very low	90 Å²	90	124 Å²	124	48%	0.481	61%	0.614	S	S	.	*	H	α-helix	trans	-69.8	-38.4	174.3	-82.1	-25	0	0	0	112.4	R193 Q198 R199 Q200	R193-D196 PolarHBondContact O-N 2.71Å; D196-Q198 VanDerWaalsContact C-N 3.33Å; D196-Q198 PolarHBondContact O-N 3.18Å; D196-R199 PolarHBondContact O-N 3.09Å; D196-Q200 WeakPolarHBondContact O-CB 3.15Å; D196-Q200 WeakPolarHBondContact O-CG 3.23Å; D196-Q200 PolarHBondContact O-N 2.95Å
197	I	38.1	Very low	35.2	Very low	80 Å²	80	125.1 Å²	125.1	41%	0.41	61%	0.607	S	S	.	*	H	α-helix	trans	-62.1	-42.5	173.5	-70.2	165.2	0	0	0	110.3	R193 Q200 Y201	R193-I197 WeakPolarHBondContact O-CB 3.37Å; R193-I197 WeakPolarHBondContact O-CD1 3.34Å; R193-I197 WeakPolarHBondContact O-CG1 3.37Å; R193-I197 PolarHBondContact O-N 2.84Å; I197-Q200 PolarHBondContact O-N 2.95Å; I197-Y201 HydrophobicContact CG2-CD2 3.94Å; I197-Y201 HydrophobicContact CG2-CE2 4.27Å; I197-Y201 WeakPolarHBondContact O-CB 3.49Å; I197-Y201 PolarHBondContact O-N 3.47Å
198	Q	38.7	Very low	35.2	Very low	91 Å²	91	121.6 Å²	121.6	43%	0.425	61%	0.609	S	S	.	*	H	α-helix	trans	-62.3	-45.9	173.4	-75.6	176.4	23	0	0	112	D194 H195 D196 Q200 Y201 L202	D194-Q198 WeakPolarHBondContact O-CB 3.34Å; D194-Q198 VanDerWaalsContact O-CG 3.27Å; D194-Q198 WeakPolarHBondContact O-CG 3.5Å; D194-Q198 PolarHBondContact O-N 3.42Å; H195-Q198 PolarHBondContact O-N 3.23Å; D196-Q198 VanDerWaalsContact C-N 3.33Å; D196-Q198 PolarHBondContact O-N 3.18Å; Q198-Q200 PolarHBondContact O-N 3.27Å; Q198-Y201 PolarHBondContact O-N 2.84Å; Q198-L202 WeakPolarHBondContact O-CB 3.43Å; Q198-L202 WeakPolarHBondContact O-CD1 3.41Å; Q198-L202 VanDerWaalsContact O-CG 3.3Å; Q198-L202 WeakPolarHBondContact O-CG 3.48Å; Q198-L202 PolarHBondContact O-N 3.33Å
199	R	36.6	Very low	35.4	Very low	174 Å²	174	120.5 Å²	120.5	66%	0.657	59%	0.594	S	S	*	*	H	α-helix	trans	-60	-43.5	175.9	-79.7	-177.6	168.6	-167.2	-4.5	111.9	H195 D196 L202 F203	H195-R199 PolarHBondContact O-N 3.41Å; D196-R199 PolarHBondContact O-N 3.09Å; R199-L202 PolarHBondContact O-N 3.24Å; R199-F203 CarbonylContact O-C 3.43Å; R199-F203 WeakPolarHBondContact O-CA 3.33Å; R199-F203 WeakPolarHBondContact O-CB 3.41Å; R199-F203 PolarHBondContact O-N 3.31Å
200	Q	39.5	Very low	35.2	Very low	140 Å²	140	117.3 Å²	117.3	65%	0.654	59%	0.586	S	S	*	*	H	α-helix	trans	-69.7	-37.4	179.4	-71.9	179.3	2.3	0	0	113.2	D196 I197 Q198 F203 G204	D196-Q200 WeakPolarHBondContact O-CB 3.15Å; D196-Q200 WeakPolarHBondContact O-CG 3.23Å; D196-Q200 PolarHBondContact O-N 2.95Å; I197-Q200 PolarHBondContact O-N 2.95Å; Q198-Q200 PolarHBondContact O-N 3.27Å; Q200-F203 CarbonylContact O-C 3.53Å; Q200-G204 PolarHBondContact O-N 3.08Å
201	Y	37.8	Very low	35	Very low	209 Å²	209	118.3 Å²	118.3	82%	0.82	60%	0.598	S	S	*	*	H	α-helix	trans	-70.1	-30.2	174.8	-99.2	-91.4	0	0	0	113.5	I197 Q198	I197-Y201 HydrophobicContact CG2-CD2 3.94Å; I197-Y201 HydrophobicContact CG2-CE2 4.27Å; I197-Y201 WeakPolarHBondContact O-CB 3.49Å; I197-Y201 PolarHBondContact O-N 3.47Å; Q198-Y201 PolarHBondContact O-N 2.84Å
202	L	42.7	Very low	34.3	Very low	59 Å²	59	116.8 Å²	116.8	31%	0.309	60%	0.601	S	S	.	*	H	α-helix	trans	-84.2	-34.2	176.1	-73.8	164.1	0	0	0	112.9	Q198 R199 V434 I462	Q198-L202 WeakPolarHBondContact O-CB 3.43Å; Q198-L202 WeakPolarHBondContact O-CD1 3.41Å; Q198-L202 VanDerWaalsContact O-CG 3.3Å; Q198-L202 WeakPolarHBondContact O-CG 3.48Å; Q198-L202 PolarHBondContact O-N 3.33Å; R199-L202 PolarHBondContact O-N 3.24Å; L202-V434 HydrophobicContact CD2-CG1 4.33Å; L202-V434 HydrophobicContact CD2-CG2 3.43Å; L202-V434 VanDerWaalsContact CD2-CG2 3.43Å; L202-I462 HydrophobicContact CD1-CD1 3.73Å
203	F	41.2	Very low	33.9	Very low	91 Å²	91	115.2 Å²	115.2	40%	0.399	60%	0.597	S	S	.	*			trans	-140.6	76.1	-169	-57	-70.8	0	0	0	110.3	R199 Q200 S205 V206 I462	R199-F203 CarbonylContact O-C 3.43Å; R199-F203 WeakPolarHBondContact O-CA 3.33Å; R199-F203 WeakPolarHBondContact O-CB 3.41Å; R199-F203 PolarHBondContact O-N 3.31Å; Q200-F203 CarbonylContact O-C 3.53Å; F203-S205 PolarHBondContact O-N 3.33Å; F203-V206 HydrophobicContact CB-CB 4.08Å; F203-V206 HydrophobicContact CB-CG2 4.16Å; F203-V206 HydrophobicContact CD1-CB 4.29Å; F203-V206 HydrophobicContact CD1-CG2 4.42Å; F203-I462 HydrophobicContact CE2-CD1 4.29Å
204	G	30.5	Very low	33.6	Very low	55 Å²	55	114.1 Å²	114.1	57%	0.567	60%	0.598	S	S	*	*	S	Bend	trans	-59.5	96.2	170.6	0	0	0	0	0	111.2	Q200 V206	Q200-G204 PolarHBondContact O-N 3.08Å; G204-V206 PolarHBondContact O-N 3.29Å
205	S	29.7	Very low	33.2	Very low	134 Å²	134	118.6 Å²	118.6	94%	0.937	61%	0.609	S	S	*	*	S	Bend	trans	55.6	24.7	-179.4	51.5	0	0	0	0	116.3	F203	F203-S205 PolarHBondContact O-N 3.33Å
206	V	31	Very low	32.6	Very low	93 Å²	93	117.9 Å²	117.9	56%	0.564	61%	0.609	S	S	*	*			trans	-83.2	125.5	178.1	-163.5	0	0	0	0	110.2	F203 G204	F203-V206 HydrophobicContact CB-CB 4.08Å; F203-V206 HydrophobicContact CB-CG2 4.16Å; F203-V206 HydrophobicContact CD1-CB 4.29Å; F203-V206 HydrophobicContact CD1-CG2 4.42Å; G204-V206 PolarHBondContact O-N 3.29Å
207	K	28.1	Very low	32.4	Very low	151 Å²	151	119.9 Å²	119.9	66%	0.657	62%	0.619	S	S	*	*			trans	-65.9	164	172.4	-68.8	179.2	-178	174	0	111.6	R209	K207-R209 PolarHBondContact O-N 3.27Å
208	P	31	Very low	31.9	Very low	129 Å²	129	124.4 Å²	124.4	84%	0.838	64%	0.643	S	S	*	*	S	Bend	trans	-60	96.7	172.8	-22.8	34.9	0	0	0	112.2
209	R	34.4	Very low	31.6	Very low	135 Å²	135	124.3 Å²	124.3	51%	0.509	65%	0.652	S	S	.	*			trans	35.9	79	172.5	-66.4	-170.7	178.2	-125.1	-19.5	115.7	K207 C211 D459 H460	K207-R209 PolarHBondContact O-N 3.27Å; R209-C211 VanDerWaalsContact C-N 3.31Å; R209-C211 PolarHBondContact O-N 3.14Å; R209-D459 IonicContact NH1-OD1 3.54Å; R209-D459 PolarHBondContact NH1-OD1 3.21Å; R209-D459 VanDerWaalsContact NH1-OD1 3.13Å; R209-D459 IonicContact NH1-OD2 3.66Å; R209-H460 PolarHBondContact NH2-O 3.02Å
210	D	28.2	Very low	31.6	Very low	126 Å²	126	121.4 Å²	121.4	67%	0.674	66%	0.659	S	S	*	*			trans	-63.8	91.1	156.8	-77.6	-62	0	0	0	110	G212	D210-G212 PolarHBondContact O-N 3.01Å
211	C	28.5	Very low	31.3	Very low	99 Å²	99	123.7 Å²	123.7	67%	0.669	67%	0.67	S	S	*	*			trans	-74.6	45.1	164.6	-68.4	0	0	0	0	110.9	R209 I213	R209-C211 VanDerWaalsContact C-N 3.31Å; R209-C211 PolarHBondContact O-N 3.14Å; C211-I213 PolarHBondContact O-N 3.33Å
212	G	26.5	Very low	30.9	Very low	61 Å²	61	119.7 Å²	119.7	63%	0.629	67%	0.669	S	S	*	*			trans	-77.4	107.5	-168.7	0	0	0	0	0	113.3	D210 E214	D210-G212 PolarHBondContact O-N 3.01Å; G212-E214 PolarHBondContact O-N 3.45Å
213	I	27.3	Very low	30.5	Very low	135 Å²	135	124.7 Å²	124.7	69%	0.692	70%	0.696	S	S	*	*			trans	-75.6	109.4	160.8	-61.2	176.5	0	0	0	107.5	C211 Y215	C211-I213 PolarHBondContact O-N 3.33Å; I213-Y215 HydrophobicContact CB-CE2 4.38Å; I213-Y215 HydrophobicContact CG2-CD2 4.11Å; I213-Y215 HydrophobicContact CG2-CE2 3.79Å; I213-Y215 PolarHBondContact O-N 2.89Å; I213-Y215 VanDerWaalsContact O-N 3.1Å
214	E	25.8	Very low	30	Very low	126 Å²	126	127.8 Å²	127.8	59%	0.589	71%	0.711	S	S	*	*			trans	-62.2	110.5	172.2	-78.2	-166.1	130.1	0	0	110.5	R153 G212	R153-E214 IonicContact CZ-OE2 3.4Å; R153-E214 IonicContact NH2-OE2 3.44Å; R153-E214 PolarHBondContact NH2-OE2 2.9Å; G212-E214 PolarHBondContact O-N 3.45Å
215	Y	28.1	Very low	29.8	Very low	195 Å²	195	132.1 Å²	132.1	77%	0.765	72%	0.719	S	S	*	*			trans	-95.6	103.3	159.9	-78.3	-85.9	0	0	0	109	I213 L217	I213-Y215 HydrophobicContact CB-CE2 4.38Å; I213-Y215 HydrophobicContact CG2-CD2 4.11Å; I213-Y215 HydrophobicContact CG2-CE2 3.79Å; I213-Y215 PolarHBondContact O-N 2.89Å; I213-Y215 VanDerWaalsContact O-N 3.1Å; Y215-L217 PolarHBondContact O-N 3.42Å
216	D	25.1	Very low	29.8	Very low	103 Å²	103	136 Å²	136	55%	0.551	72%	0.719	S	S	*	*			trans	-64.8	94.4	172	-86.3	-53.2	0	0	0	110.6	R153	R153-D216 IonicContact CZ-OD2 3.58Å; R153-D216 IonicContact NH1-OD2 2.66Å; R153-D216 PolarHBondContact NH1-OD2 2.93Å; R153-D216 IonicContact NH2-OD2 3.36Å; R153-D216 PolarHBondContact NH2-OD2 3.42Å
217	L	31.4	Very low	29.6	Very low	132 Å²	132	138.7 Å²	138.7	69%	0.691	73%	0.725	S	S	*	*			trans	-117.9	106.1	168.2	-95.9	168	0	0	0	109.8	R150 Y215	R150-L217 VanDerWaalsContact CZ-O 3.26Å; R150-L217 PolarHBondContact NH1-O 2.81Å; R150-L217 PolarHBondContact NH2-O 3.47Å; Y215-L217 PolarHBondContact O-N 3.42Å
218	L	27.6	Very low	29.6	Very low	174 Å²	174	142.8 Å²	142.8	91%	0.911	74%	0.738	S	S	*	*			trans	-55.8	136.3	174.6	-70.9	156.4	0	0	0	111
219	S	32.5	Very low	29.6	Very low	89 Å²	89	141.1 Å²	141.1	62%	0.622	73%	0.726	S	S	*	*			trans	-140.3	142.4	162.1	64.9	0	0	0	0	110.2
220	S	36.5	Very low	29.3	Very low	114 Å²	114	144 Å²	144	80%	0.797	74%	0.742	S	S	*	*			trans	-113	122.8	-173.4	48.3	0	0	0	0	111.3
221	Q	32.6	Very low	29.5	Very low	188 Å²	188	144 Å²	144	88%	0.879	75%	0.749	S	S	*	*			trans	32.1	122.2	154.7	-65.8	-179.4	-22.5	0	0	120.5
222	P	31.4	Very low	29.5	Very low	125 Å²	125	144.5 Å²	144.5	81%	0.812	75%	0.754	S	S	*	*			trans	-90.7	160.2	163.6	37.4	-33	0	0	0	112.6
223	L	32.5	Very low	29.7	Very low	164 Å²	164	151.2 Å²	151.2	86%	0.859	77%	0.769	S	S	*	*			trans	-133	119.7	169.5	-90.8	168.8	0	0	0	113.2
224	E	30.6	Very low	29.9	Very low	156 Å²	156	150 Å²	150	73%	0.729	77%	0.772	S	S	*	*			trans	24.8	116	154.4	-57.4	-163.5	127.9	0	0	124.1
225	M	26.5	Very low	30.2	Very low	146 Å²	146	151 Å²	151	72%	0.719	79%	0.786	S	S	*	*				41.1	133.2	120.5	-71.2	-173.5	-79	0	0	122.4
226	K	31.2	Very low	30.4	Very low	216 Å²	216	151.2 Å²	151.2	94%	0.939	79%	0.791	S	S	*	*				-148	148.1	118.7	-111	158.8	-172.4	170.6	0	111.8
227	Q	26.1	Very low	30.4	Very low	148 Å²	148	150.4 Å²	150.4	69%	0.692	81%	0.807	S	S	*	*			trans	-96.3	154.9	-175.3	-57.4	162.7	-62.2	0	0	111.5
228	Y	28.9	Very low	30.3	Very low	238 Å²	238	147.9 Å²	147.9	93%	0.933	81%	0.813	S	S	*	*			trans	-149.1	161.3	137.1	-87.2	-64.6	0	0	0	109.4
229	T	29.7	Very low	30.2	Very low	94 Å²	94	145.1 Å²	145.1	58%	0.577	81%	0.809	S	S	*	*			trans	-143.4	134.4	-144.9	42.3	0	0	0	0	116.1
230	F	28.3	Very low	30	Very low	196 Å²	196	149.3 Å²	149.3	86%	0.86	82%	0.823	S	S	*	*			trans	62.5	170.6	151.9	-64.7	-53.6	0	0	0	118
231	P	32.2	Very low	29.5	Very low	124 Å²	124	150.8 Å²	150.8	81%	0.805	82%	0.82	S	S	*	*			cis	-119.2	-178.1	-5.5	24.4	-1.5	0	0	0	114.7
232	S	28.1	Very low	29.4	Very low	111 Å²	111	150 Å²	150	78%	0.776	82%	0.821	S	S	*	*			trans	-93.1	147	176	54.2	0	0	0	0	113.2
233	E	32.1	Very low	29.3	Very low	202 Å²	202	150.5 Å²	150.5	94%	0.944	81%	0.813	S	S	*	*			trans	-152.5	172.6	146	-131.8	166.4	-138	0	0	112.4
234	S	29.9	Very low	29.2	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	81%	0.813	S	S	*	*			trans	-110.3	155.4	-161.3	63.6	0	0	0	0	114.7
235	V	32.4	Very low	29.1	Very low	147 Å²	147	148.4 Å²	148.4	89%	0.891	81%	0.81	S	S	*	*			trans	-161.8	154.2	142	127.8	0	0	0	0	110.9
236	K	31.9	Very low	29.2	Very low	200 Å²	200	151.4 Å²	151.4	87%	0.87	82%	0.819	S	S	*	*			trans	-92.4	147	175.2	-70.1	-178.4	176.8	-177.7	0	111.8
237	G	26.6	Very low	29	Very low	86 Å²	86	149.4 Å²	149.4	89%	0.887	81%	0.813	S	S	*	*			trans	73.1	105.5	141.7	0	0	0	0	0	117.8
238	G	28.7	Very low	29	Very low	80 Å²	80	152.1 Å²	152.1	83%	0.825	82%	0.823	S	S	*	*			trans	-165.8	120	166.3	0	0	0	0	0	109.9
239	S	24.7	Very low	28.9	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	81%	0.809	S	S	*	*			trans	-87.6	128.2	179.2	-173.3	0	0	0	0	110.4
240	L	28.7	Very low	28.9	Very low	176 Å²	176	149.9 Å²	149.9	92%	0.921	82%	0.822	S	S	*	*			trans	-135	137.1	162.1	-82.2	177.6	0	0	0	110
241	I	27	Very low	28.8	Very low	145 Å²	145	147.6 Å²	147.6	74%	0.744	82%	0.819	S	S	*	*			trans	-94.6	139	-172.9	-62.6	167	0	0	0	109.3
242	L	30.4	Very low	28.6	Very low	172 Å²	172	146.7 Å²	146.7	90%	0.901	82%	0.816	S	S	*	*			trans	-147.7	107.9	160.7	-119.4	161.9	0	0	0	109.8
243	E	28.3	Very low	28.6	Very low	136 Å²	136	150.8 Å²	150.8	64%	0.636	82%	0.82	S	S	*	*			trans	-78.4	136.2	178.6	-70.4	-172.4	100.1	0	0	111.8	K245	E243-K245 WeakPolarHBondContact OE1-CE 3.43Å; E243-K245 IonicContact OE1-NZ 2.74Å; E243-K245 PolarHBondContact OE1-NZ 3.43Å
244	S	31.9	Very low	28.3	Very low	122 Å²	122	147.6 Å²	147.6	85%	0.853	81%	0.809	S	S	*	*			trans	-149.8	131	134.7	61.2	0	0	0	0	109.6
245	K	28.1	Very low	28.3	Very low	154 Å²	154	148.8 Å²	148.8	67%	0.67	82%	0.815	S	S	*	*			trans	-92	136.3	-165.3	-72.2	170.1	176.9	139.9	0	112.7	E243	E243-K245 WeakPolarHBondContact OE1-CE 3.43Å; E243-K245 IonicContact OE1-NZ 2.74Å; E243-K245 PolarHBondContact OE1-NZ 3.43Å
246	K	28.5	Very low	28.2	Very low	208 Å²	208	147.3 Å²	147.3	90%	0.904	80%	0.8	S	S	*	*			trans	-154.9	92.3	144.1	-114.4	172.5	-173.3	175.7	0	110.2
247	E	27.2	Very low	28	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	80%	0.795	S	S	*	*			trans	-71.3	129.2	177	-62.4	168.8	129.4	0	0	110.2
248	F	26	Very low	28.4	Very low	206 Å²	206	149.5 Å²	149.5	90%	0.904	80%	0.795	S	S	*	*			trans	-98	99.9	162.5	-109.2	-86.7	0	0	0	108.1	L250	F248-L250 PolarHBondContact O-N 3.48Å; F248-L250 VanDerWaalsContact O-N 3.15Å
249	N	26.4	Very low	28.5	Very low	120 Å²	120	151.2 Å²	151.2	64%	0.642	79%	0.785	S	S	*	*			trans	-76.5	104.3	-173.1	-166	-17.8	0	0	0	111.1	N251	N249-N251 PolarHBondContact O-N 3.26Å; N249-N251 PolarHBondContact OD1-ND2 2.92Å; N249-N251 VanDerWaalsContact OD1-ND2 3.12Å
250	L	28.5	Very low	29.1	Very low	164 Å²	164	156 Å²	156	86%	0.859	79%	0.787	S	S	*	*	S	Bend	trans	-77.2	45.4	-177.5	-100.7	162.5	0	0	0	113.4	F248	F248-L250 PolarHBondContact O-N 3.48Å; F248-L250 VanDerWaalsContact O-N 3.15Å
251	N	26.5	Very low	29.6	Very low	148 Å²	148	151.1 Å²	151.1	79%	0.791	77%	0.767	S	S	*	*			trans	-131.9	23.4	-179.9	-73.3	-67.8	0	0	0	114.1	N249	N249-N251 PolarHBondContact O-N 3.26Å; N249-N251 PolarHBondContact OD1-ND2 2.92Å; N249-N251 VanDerWaalsContact OD1-ND2 3.12Å
252	S	28.2	Very low	30.6	Very low	105 Å²	105	146 Å²	146	73%	0.734	75%	0.745	S	S	*	*			trans	-127.5	44.4	177.2	74.4	0	0	0	0	113.5
253	F	27.9	Very low	31.3	Very low	198 Å²	198	140.3 Å²	140.3	87%	0.868	72%	0.717	S	S	*	*			trans	-122.1	88.7	165.7	-104.6	-86.5	0	0	0	109.2	P255	F253-P255 WeakPolarHBondContact O-CD 3.06Å
254	N	27.1	Very low	32.4	Very low	135 Å²	135	135 Å²	135	72%	0.722	69%	0.693	S	S	*	*			trans	-72.1	119	167.5	-94.5	-13.6	0	0	0	108.8	I256	N254-I256 HydrophobicContact CB-CD1 3.99Å; N254-I256 HydrophobicContact CB-CG1 4.11Å; N254-I256 PolarHBondContact O-N 3.23Å
255	P	29.4	Very low	32.7	Very low	133 Å²	133	136.5 Å²	136.5	86%	0.864	69%	0.686	S	S	*	*			trans	-82.8	66.3	175.4	35.5	-34.1	0	0	0	109.8	F253	F253-P255 WeakPolarHBondContact O-CD 3.06Å
256	I	29.1	Very low	33.1	Very low	115 Å²	115	131.4 Å²	131.4	59%	0.59	67%	0.667	S	S	*	*			trans	-113.4	137.1	179.1	-57.7	174.7	0	0	0	107.7	N254	N254-I256 HydrophobicContact CB-CD1 3.99Å; N254-I256 HydrophobicContact CB-CG1 4.11Å; N254-I256 PolarHBondContact O-N 3.23Å
257	D	28.8	Very low	33.1	Very low	140 Å²	140	131.6 Å²	131.6	75%	0.749	66%	0.662	S	S	*	*	S	Bend	trans	61	54.6	177.2	-57.9	-16	0	0	0	118
258	H	35.5	Very low	33.1	Very low	192 Å²	192	128.1 Å²	128.1	89%	0.889	66%	0.655	S	S	*	*			trans	-123.6	66.8	151.2	-91.6	3.1	0	0	0	111.1
259	D	30.9	Very low	33.2	Very low	116 Å²	116	127.3 Å²	127.3	62%	0.62	65%	0.654	S	S	*	*			trans	-88.8	160.4	178.9	-151	-5.4	0	0	0	112.3	S261	D259-S261 PolarHBondContact O-N 2.91Å; D259-S261 VanDerWaalsContact O-N 3.14Å
260	Y	36.8	Very low	33.2	Very low	217 Å²	217	132.8 Å²	132.8	85%	0.851	67%	0.665	S	S	*	*	S	Bend	trans	61.3	4.7	172.3	-58.2	-73.6	0	0	0	121.2
261	S	38.1	Very low	33.2	Very low	73 Å²	73	133.5 Å²	133.5	51%	0.51	67%	0.666	S	S	.	*			trans	-114.1	115.7	171.3	-171.6	0	0	0	0	114.1	D259 V263	D259-S261 PolarHBondContact O-N 2.91Å; D259-S261 VanDerWaalsContact O-N 3.14Å; S261-V263 VanDerWaalsContact C-N 3.3Å; S261-V263 PolarHBondContact OG-N 2.85Å; S261-V263 PolarHBondContact OG-O 3.43Å
262	S	49.2	Very low	33.2	Very low	39 Å²	39	137.4 Å²	137.4	27%	0.273	67%	0.67	S	S	.	*			trans	-81.2	-6.5	166.7	54.9	0	0	0	0	113.5
263	V	44.7	Very low	33.2	Very low	52 Å²	52	142.3 Å²	142.3	32%	0.315	68%	0.678	S	S	.	*	S	Bend	trans	-86.3	117.9	-177.9	-178.4	0	0	0	0	110	S261 H265	S261-V263 VanDerWaalsContact C-N 3.3Å; S261-V263 PolarHBondContact OG-N 2.85Å; S261-V263 PolarHBondContact OG-O 3.43Å; V263-H265 PolarHBondContact O-N 3.18Å
264	I	51.1	Low	33.4	Very low	25 Å²	25	139.2 Å²	139.2	13%	0.128	68%	0.675	C	S	.	*			trans	-71	94.8	178.2	-51.9	176.7	0	0	0	109.4	V266 M310 Y319 L340	I264-V266 VanDerWaalsContact C-N 3.3Å; I264-V266 HydrophobicContact CG2-CG2 3.75Å; I264-V266 PolarHBondContact O-N 3.18Å; I264-M310 HydrophobicContact CG2-CE 3.58Å; I264-M310 HydrophobicContact CG2-SD 4.34Å; I264-Y319 HydrophobicContact CD1-CE2 4.44Å; I264-Y319 HydrophobicContact CG2-CE2 4.42Å; I264-L340 HydrophobicContact CD1-CB 4.21Å; I264-L340 HydrophobicContact CD1-CD1 3.69Å; I264-L340 HydrophobicContact CD1-CG 3.66Å
265	H	38.5	Very low	33.7	Very low	153 Å²	153	139.7 Å²	139.7	71%	0.708	68%	0.676	S	S	*	*			trans	-80.1	74.2	172.7	-78.4	-74.7	0	0	0	111.4	V263 R267	V263-H265 PolarHBondContact O-N 3.18Å; H265-R267 PolarHBondContact O-N 3.06Å
266	V	36.1	Very low	33.7	Very low	46 Å²	46	140.8 Å²	140.8	28%	0.279	68%	0.675	S	S	.	*			trans	-66.5	103.4	161.8	-163.9	0	0	0	0	107.3	I264 C308 M310	I264-V266 VanDerWaalsContact C-N 3.3Å; I264-V266 HydrophobicContact CG2-CG2 3.75Å; I264-V266 PolarHBondContact O-N 3.18Å; V266-C308 HydrophobicContact CB-CB 3.99Å; V266-C308 HydrophobicContact CG1-CB 4.31Å; V266-C308 WeakPolarHBondContact CG1-SG 3.22Å; V266-C308 WeakPolarHBondContact CG2-O 3.47Å; V266-C308 WeakPolarHBondContact O-CB 3.43Å; V266-M310 HydrophobicContact CG2-CE 3.71Å
267	R	28.3	Very low	34	Very low	212 Å²	212	143.3 Å²	143.3	80%	0.8	69%	0.688	S	S	*	*			trans	-66.8	128.1	173	-71.6	-176.7	176	128.2	-0.8	107.9	H265 H269	H265-R267 PolarHBondContact O-N 3.06Å; R267-H269 PolarHBondContact O-N 3.44Å
268	P	28.1	Very low	34.3	Very low	101 Å²	101	145 Å²	145	66%	0.656	69%	0.689	S	S	*	*			trans	-55.5	124.8	174.7	-25.6	34.3	0	0	0	110.3	R270	P268-R270 VanDerWaalsContact C-N 3.34Å; P268-R270 PolarHBondContact O-N 3.36Å
269	H	28.1	Very low	34.1	Very low	190 Å²	190	143.8 Å²	143.8	88%	0.88	68%	0.683	S	S	*	*			trans	-66.2	97.8	172.2	-97	-59.7	0	0	0	108.7	R267 M271	R267-H269 PolarHBondContact O-N 3.44Å; H269-M271 VanDerWaalsContact C-N 3.33Å; H269-M271 PolarHBondContact O-N 2.88Å
270	R	27.3	Very low	34.2	Very low	235 Å²	235	145.7 Å²	145.7	89%	0.887	69%	0.694	S	S	*	*			trans	-63.5	92.2	177.7	-170.9	-179.9	-169.2	178.5	4.3	109.2	P268 R272	P268-R270 VanDerWaalsContact C-N 3.34Å; P268-R270 PolarHBondContact O-N 3.36Å; R270-R272 PolarHBondContact O-N 2.98Å
271	M	26.7	Very low	34.1	Very low	179 Å²	179	140.5 Å²	140.5	88%	0.882	68%	0.681	S	S	*	*			trans	-46.6	108.9	172.6	-79.3	-70.4	-172.3	0	0	109.2	H269 K273	H269-M271 VanDerWaalsContact C-N 3.33Å; H269-M271 PolarHBondContact O-N 2.88Å; M271-K273 PolarHBondContact O-N 3.03Å
272	R	26.8	Very low	34	Very low	229 Å²	229	144.5 Å²	144.5	86%	0.864	69%	0.689	S	S	*	*			trans	-69.9	118.6	173.6	-81.3	-177.1	170.8	170.6	-2.4	107.4	R270 T274	R270-R272 PolarHBondContact O-N 2.98Å; R272-T274 PolarHBondContact O-N 3.45Å
273	K	27.8	Very low	33.3	Very low	209 Å²	209	148.1 Å²	148.1	91%	0.909	71%	0.709	S	S	*	*			trans	-58	108.1	162	-77.6	-170.4	171.9	-168.8	0	108.3	M271 I275	M271-K273 PolarHBondContact O-N 3.03Å; K273-I275 PolarHBondContact O-N 2.91Å; K273-I275 VanDerWaalsContact O-N 3.12Å
274	T	33	Very low	32.8	Very low	132 Å²	132	153.9 Å²	153.9	81%	0.81	74%	0.738	S	S	*	*			trans	-78.9	90.3	167.3	45.2	0	0	0	0	108.9	R272	R272-T274 PolarHBondContact O-N 3.45Å
275	I	33.2	Very low	32	Very low	145 Å²	145	159.8 Å²	159.8	74%	0.744	77%	0.77	S	S	*	*			trans	34.6	119.6	142.5	-56.4	173.6	0	0	0	116.8	K273	K273-I275 PolarHBondContact O-N 2.91Å; K273-I275 VanDerWaalsContact O-N 3.12Å
276	D	29.3	Very low	31.8	Very low	157 Å²	157	159.5 Å²	159.5	84%	0.84	77%	0.773	S	S	*	*			trans	-58.7	132	171.3	-49.7	-92	0	0	0	112.6
277	I	35.3	Very low	31.6	Very low	167 Å²	167	163.2 Å²	163.2	86%	0.856	80%	0.798	S	S	*	*			trans	-110.8	127	161.7	-62.5	-179.8	0	0	0	107.3
278	K	35.2	Very low	32	Very low	177 Å²	177	158 Å²	158	77%	0.77	79%	0.794	S	S	*	*			trans	-83.3	132.6	-169.3	-69.4	-175.7	178.1	-178.9	0	113.2
279	Q	31.2	Very low	32.3	Very low	165 Å²	165	162.3 Å²	162.3	77%	0.771	81%	0.805	S	S	*	*			trans	36.2	112.6	134	-60.6	175.5	-58.6	0	0	119.1
280	N	33.4	Very low	32.6	Very low	157 Å²	157	163 Å²	163	84%	0.84	81%	0.806	S	S	*	*				177.7	145	128.9	-88	-13.3	0	0	0	107.5
281	D	34.6	Very low	32.8	Very low	108 Å²	108	163.3 Å²	163.3	58%	0.578	81%	0.807	S	S	*	*			cis	-153.7	157.1	2.9	-152.2	-3.2	0	0	0	111.8
282	K	36.2	Very low	33	Very low	156 Å²	156	163 Å²	163	68%	0.678	81%	0.808	S	S	*	*			trans	42.7	128.4	154.8	-77.7	160	-164.4	95	0	125.3
283	T	34.4	Very low	33.2	Very low	115 Å²	115	158 Å²	158	71%	0.706	81%	0.808	S	S	*	*			trans	64.8	113.2	134	59.9	0	0	0	0	122.6
284	L	34.5	Very low	33.3	Very low	174 Å²	174	158 Å²	158	91%	0.911	81%	0.808	S	S	*	*				-167.1	152.5	94.3	-103.9	156.7	0	0	0	111
285	D	34.6	Very low	33.1	Very low	149 Å²	149	157.7 Å²	157.7	80%	0.797	81%	0.809	S	S	*	*			trans	-110.3	147.2	-165.5	-59.4	-89.3	0	0	0	114.6
286	D	32.8	Very low	32.9	Very low	147 Å²	147	158.8 Å²	158.8	79%	0.786	82%	0.816	S	S	*	*			trans	-150.2	121	153.4	-174.3	22	0	0	0	111.2
287	P	33.5	Very low	33	Very low	123 Å²	123	161 Å²	161	80%	0.799	82%	0.821	S	S	*	*			trans	-110.1	102.9	-167.5	37.8	-31	0	0	0	115.8
288	S	36.1	Very low	32.9	Very low	102 Å²	102	158.1 Å²	158.1	71%	0.713	82%	0.816	S	S	*	*			trans	-122.8	-9.3	173.2	58.3	0	0	0	0	116.2	K290	S288-K290 PolarHBondContact O-N 3.4Å
289	H	33.5	Very low	32.8	Very low	193 Å²	193	159.5 Å²	159.5	89%	0.894	82%	0.822	S	S	*	*			trans	-80.7	58.9	-175	-97.1	-76.1	0	0	0	115.6
290	K	35.8	Very low	32.7	Very low	205 Å²	205	158 Å²	158	89%	0.891	83%	0.826	S	S	*	*			trans	-139.1	49.4	175.3	-80.8	-166.7	179	173.1	0	116.9	S288	S288-K290 PolarHBondContact O-N 3.4Å
291	R	30.8	Very low	32.6	Very low	240 Å²	240	154 Å²	154	91%	0.906	82%	0.822	S	S	*	*	S	Bend	trans	-166.8	95.7	157.5	-114.3	172.9	-177.6	-169.9	1.2	113.2
292	L	30.5	Very low	32.4	Very low	174 Å²	174	152.8 Å²	152.8	91%	0.911	83%	0.828	S	S	*	*			trans	-177	27	151.7	-105.3	162.8	0	0	0	114.8	K294	L292-K294 PolarHBondContact O-N 3.45Å
293	S	31	Very low	32	Very low	122 Å²	122	151.3 Å²	151.3	85%	0.853	84%	0.837	S	S	*	*			trans	-94.7	58.2	-174.7	57.6	0	0	0	0	113.8
294	K	30.7	Very low	32.2	Very low	211 Å²	211	154 Å²	154	92%	0.917	84%	0.835	S	S	*	*	S	Bend	trans	-165.7	62	174.4	-118	169	-172.3	180	0	115.2	L292	L292-K294 PolarHBondContact O-N 3.45Å
295	C	29.1	Very low	32.4	Very low	124 Å²	124	153.5 Å²	153.5	84%	0.838	83%	0.834	S	S	*	*			trans	-152	-8.4	163.9	-153.9	0	0	0	0	116.2	Q297	C295-Q297 PolarHBondContact O-N 3.27Å
296	L	28.9	Very low	32.8	Very low	169 Å²	169	149.1 Å²	149.1	89%	0.885	82%	0.824	S	S	*	*			trans	-88.3	88.4	179.3	-73.1	168.1	0	0	0	111.6
297	Q	30.2	Very low	33.9	Very low	202 Å²	202	143.9 Å²	143.9	94%	0.944	80%	0.798	S	S	*	*			trans	-136.5	75.4	164.8	-74.5	-167.3	-9.6	0	0	110.8	C295	C295-Q297 PolarHBondContact O-N 3.27Å
298	S	33.6	Very low	35.6	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	78%	0.778	S	S	*	*			trans	-124.4	135.2	168.6	52.2	0	0	0	0	109.6
299	K	33.1	Very low	38.1	Very low	206 Å²	206	137.8 Å²	137.8	90%	0.896	76%	0.758	S	S	*	*			trans	-53	136.3	-161.9	-62.7	171.4	179.8	175.2	0	114.6
300	P	30.3	Very low	40.8	Very low	133 Å²	133	129 Å²	129	86%	0.864	72%	0.717	S	S	*	*			trans	-77.9	150.9	164.8	34	-34	0	0	0	111.1
301	G	29.5	Very low	43.5	Very low	73 Å²	73	121.9 Å²	121.9	75%	0.753	69%	0.693	S	S	*	*			trans	147.5	60.2	165.8	0	0	0	0	0	117.9
302	A	31	Very low	46.4	Very low	84 Å²	84	110.6 Å²	110.6	69%	0.694	65%	0.651	S	S	*	*			trans	-159.5	40	165.6	0	0	0	0	0	114	Y304	A302-Y304 PolarHBondContact O-N 3.39Å
303	S	29.1	Very low	49.4	Very low	125 Å²	125	106.4 Å²	106.4	87%	0.874	63%	0.633	S	S	*	*			trans	-71.8	96.1	169.6	55.6	0	0	0	0	109.6	D305	S303-D305 PolarHBondContact O-N 3.39Å
304	Y	37.8	Very low	52.3	Low	171 Å²	171	104.1 Å²	104.1	67%	0.671	61%	0.611	S	S	*	*			trans	-63.6	123.6	167.4	-83.8	-91.4	0	0	0	108.9	A302 G306 K416	A302-Y304 PolarHBondContact O-N 3.39Å; Y304-G306 PolarHBondContact O-N 2.98Å; Y304-G306 VanDerWaalsContact O-N 3.16Å; Y304-K416 PolarHBondContact OH-NZ 2.89Å
305	D	39.4	Very low	55.4	Low	164 Å²	164	94.1 Å²	94.1	88%	0.877	57%	0.568	S	S	*	*			trans	-64.5	112.6	169.1	-174.3	18.1	0	0	0	108	S303 S307	S303-D305 PolarHBondContact O-N 3.39Å; D305-S307 PolarHBondContact O-N 2.71Å
306	G	41.8	Very low	58.4	Low	57 Å²	57	89.9 Å²	89.9	59%	0.588	54%	0.538	S	S	*	.			trans	-71.7	103	-165.6	0	0	0	0	0	111.3	Y304 C308	Y304-G306 PolarHBondContact O-N 2.98Å; Y304-G306 VanDerWaalsContact O-N 3.16Å; G306-C308 PolarHBondContact O-N 3.36Å
307	S	56.2	Low	61.5	Low	36 Å²	36	87 Å²	87	25%	0.252	53%	0.528	S	S	.	.			trans	-56.6	111.5	171.7	65.9	0	0	0	0	109	D305 C309 Y338 C413	D305-S307 PolarHBondContact O-N 2.71Å; S307-C309 PolarHBondContact O-N 3.29Å; S307-Y338 WeakPolarHBondContact OG-CE1 3.41Å; S307-C413 PolarHBondContact OG-O 3.18Å; S307-C413 VanDerWaalsContact OG-O 3.12Å
308	C	69.5	Low	64.5	Low	56 Å²	56	82 Å²	82	38%	0.378	51%	0.506	S	S	.	.			trans	-67	106.8	-169.2	-169.3	0	0	0	0	110.7	V266 G306	V266-C308 HydrophobicContact CB-CB 3.99Å; V266-C308 HydrophobicContact CG1-CB 4.31Å; V266-C308 WeakPolarHBondContact CG1-SG 3.22Å; V266-C308 WeakPolarHBondContact CG2-O 3.47Å; V266-C308 WeakPolarHBondContact O-CB 3.43Å; G306-C308 PolarHBondContact O-N 3.36Å
309	C	87.2	Confident	67.5	Low	41 Å²	41	79.8 Å²	79.8	28%	0.277	48%	0.482	S	S	.	.			trans	-79.3	165.7	172.2	59.4	0	0	0	0	111.1	S307 E336 V337 Y338	S307-C309 PolarHBondContact O-N 3.29Å; C309-E336 HydrophobicContact CB-CB 4.27Å; C309-V337 VanDerWaalsContact CA-O 3.32Å; C309-V337 WeakPolarHBondContact CA-O 3.43Å; C309-V337 WeakPolarHBondContact CB-O 3.27Å; C309-Y338 HydrophobicContact CB-CD1 3.91Å; C309-Y338 HydrophobicContact CB-CD2 4.49Å; C309-Y338 HydrophobicContact CB-CE1 3.76Å; C309-Y338 HydrophobicContact CB-CE2 4.35Å; C309-Y338 HydrophobicContact CB-CG 4.29Å
310	M	91.1	Very high	70.3	Confident	9 Å²	9	70.5 Å²	70.5	4%	0.044	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-114.2	159.8	166.8	52	179.8	49	0	0	110.7	I264 V266 L314 A315 L318 Y319 V337	I264-M310 HydrophobicContact CG2-CE 3.58Å; I264-M310 HydrophobicContact CG2-SD 4.34Å; V266-M310 HydrophobicContact CG2-CE 3.71Å; M310-L314 HydrophobicContact CB-CB 4.43Å; M310-L314 HydrophobicContact CB-CD2 3.98Å; M310-L314 HydrophobicContact CB-CG 4.33Å; M310-A315 HydrophobicContact CG-CB 4.19Å; M310-A315 HydrophobicContact SD-CB 3.69Å; M310-L318 HydrophobicContact CE-CD1 3.74Å; M310-Y319 HydrophobicContact CE-CE2 3.98Å; M310-Y319 HydrophobicContact SD-CD2 4.32Å; M310-Y319 HydrophobicContact SD-CE2 3.97Å; M310-V337 HydrophobicContact CG-CB 3.97Å; M310-V337 HydrophobicContact CG-CG1 4Å; M310-V337 PolarHBondContact N-O 2.93Å; M310-V337 WeakPolarHBondContact O-CB 3.47Å; M310-V337 PolarHBondContact O-N 3.47Å
311	S	92.4	Very high	73.2	Confident	55 Å²	55	69.8 Å²	69.8	39%	0.385	44%	0.443	S	S	.	.			trans	-75.4	153.8	169	60.4	0	0	0	0	110.7	T313 L314 A315	S311-T313 PolarHBondContact O-N 3.17Å; S311-L314 PolarHBondContact O-N 2.79Å; S311-L314 VanDerWaalsContact O-N 3.09Å; S311-L314 WeakPolarHBondContact OG-CB 3.45Å; S311-L314 PolarHBondContact OG-N 3.01Å; S311-A315 PolarHBondContact O-N 3.01Å
312	G	91.9	Very high	76.2	Confident	3 Å²	3	72.2 Å²	72.2	3%	0.031	43%	0.433	C	S	.	.	H	α-helix	trans	-55.2	-37.1	176.1	0	0	0	0	0	114	A315 V316 I331 Y334	G312-A315 PolarHBondContact O-N 2.69Å; G312-V316 PolarHBondContact O-N 2.99Å; G312-I331 WeakPolarHBondContact CA-O 3.21Å; G312-Y334 PolarHBondContact N-O 2.8Å
313	T	92.5	Very high	79.2	Confident	86 Å²	86	68.6 Å²	68.6	53%	0.528	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-47.3	174.6	-45.1	0	0	0	0	112	S311 A315 V316 T317 Q332	S311-T313 PolarHBondContact O-N 3.17Å; T313-A315 VanDerWaalsContact C-N 3.33Å; T313-A315 PolarHBondContact O-N 2.98Å; T313-V316 PolarHBondContact O-N 2.81Å; T313-T317 PolarHBondContact O-N 2.97Å; T313-T317 PolarHBondContact O-OG1 2.81Å; T313-T317 VanDerWaalsContact O-OG1 3.09Å; T313-Q332 PolarHBondContact OG1-OE1 2.88Å; T313-Q332 VanDerWaalsContact OG1-OE1 3.07Å
314	L	93.1	Very high	82.2	Confident	75 Å²	75	63 Å²	63	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-65.1	-37.1	177.3	179.7	60.4	0	0	0	111.8	M310 S311 V316 T317 L318	M310-L314 HydrophobicContact CB-CB 4.43Å; M310-L314 HydrophobicContact CB-CD2 3.98Å; M310-L314 HydrophobicContact CB-CG 4.33Å; S311-L314 PolarHBondContact O-N 2.79Å; S311-L314 VanDerWaalsContact O-N 3.09Å; S311-L314 WeakPolarHBondContact OG-CB 3.45Å; S311-L314 PolarHBondContact OG-N 3.01Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 3.03Å; L314-T317 PolarHBondContact O-N 2.7Å; L314-L318 HydrophobicContact CD1-CD1 3.85Å; L314-L318 HydrophobicContact CD1-CG 3.95Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.37Å; L314-L318 WeakPolarHBondContact O-CB 3.48Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.98Å
315	A	94.8	Very high	84.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-38.7	174.3	0	0	0	0	0	112.4	M310 S311 G312 T313 Y319 I331 V337 L340	M310-A315 HydrophobicContact CG-CB 4.19Å; M310-A315 HydrophobicContact SD-CB 3.69Å; S311-A315 PolarHBondContact O-N 3.01Å; G312-A315 PolarHBondContact O-N 2.69Å; T313-A315 VanDerWaalsContact C-N 3.33Å; T313-A315 PolarHBondContact O-N 2.98Å; A315-Y319 WeakPolarHBondContact O-CA 3.37Å; A315-Y319 WeakPolarHBondContact O-CB 3.32Å; A315-Y319 PolarHBondContact O-N 3.07Å; A315-I331 HydrophobicContact CB-CD1 3.59Å; A315-V337 HydrophobicContact CB-CG1 4.18Å; A315-L340 HydrophobicContact CB-CD1 4.33Å; A315-L340 HydrophobicContact CB-CD2 4.32Å
316	V	93.7	Very high	87.2	Confident	35 Å²	35	57.7 Å²	57.7	21%	0.212	34%	0.336	C	S	.	.	H	α-helix	trans	-70.5	-39.2	173.2	174.1	0	0	0	0	112	G312 T313 L314 L318 G320 L323 R328 I331	G312-V316 PolarHBondContact O-N 2.99Å; T313-V316 PolarHBondContact O-N 2.81Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 3.03Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 2.69Å; V316-G320 VanDerWaalsContact O-CA 3.23Å; V316-G320 WeakPolarHBondContact O-CA 3.5Å; V316-G320 PolarHBondContact O-N 3.28Å; V316-L323 HydrophobicContact CG2-CD1 4.19Å; V316-R328 HydrophobicContact CG1-CG 4.26Å; V316-R328 HydrophobicContact CG2-CB 4.41Å; V316-R328 HydrophobicContact CG2-CG 4.36Å; V316-I331 HydrophobicContact CG2-CG2 3.33Å
317	T	93.7	Very high	89.8	Confident	110 Å²	110	55 Å²	55	68%	0.675	31%	0.308	S	S	*	.	H	α-helix	trans	-60.8	-41.2	175	-54.8	0	0	0	0	112.3	T313 L314	T313-T317 PolarHBondContact O-N 2.97Å; T313-T317 PolarHBondContact O-OG1 2.81Å; T313-T317 VanDerWaalsContact O-OG1 3.09Å; L314-T317 PolarHBondContact O-N 2.7Å
318	L	93.7	Very high	91.6	Very high	95 Å²	95	57.3 Å²	57.3	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-85.8	-34.1	-176.5	-65.8	175.4	0	0	0	114	M310 L314 V316	M310-L318 HydrophobicContact CE-CD1 3.74Å; L314-L318 HydrophobicContact CD1-CD1 3.85Å; L314-L318 HydrophobicContact CD1-CG 3.95Å; L314-L318 HydrophobicContact CG-CD1 3.9Å; L314-L318 HydrophobicContact CG-CG 4.37Å; L314-L318 WeakPolarHBondContact O-CB 3.48Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 2.98Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 2.69Å
319	Y	95.1	Very high	92.6	Very high	62 Å²	62	60 Å²	60	24%	0.243	32%	0.322	C	S	.	.	H	α-helix	trans	-131	7.4	-168.7	-53.8	-69.1	0	0	0	114.6	I264 M310 A315 S321 K322 L323 L340 L342	I264-Y319 HydrophobicContact CD1-CE2 4.44Å; I264-Y319 HydrophobicContact CG2-CE2 4.42Å; M310-Y319 HydrophobicContact CE-CE2 3.98Å; M310-Y319 HydrophobicContact SD-CD2 4.32Å; M310-Y319 HydrophobicContact SD-CE2 3.97Å; A315-Y319 WeakPolarHBondContact O-CA 3.37Å; A315-Y319 WeakPolarHBondContact O-CB 3.32Å; A315-Y319 PolarHBondContact O-N 3.07Å; Y319-S321 PolarHBondContact O-N 3.23Å; Y319-K322 WeakPolarHBondContact O-CA 3.36Å; Y319-K322 PolarHBondContact O-N 2.79Å; Y319-L323 PolarHBondContact O-N 3.25Å; Y319-L340 HydrophobicContact CD2-CD1 3.32Å; Y319-L340 HydrophobicContact CE2-CD1 3.98Å; Y319-L340 HydrophobicContact CG-CD1 3.86Å; Y319-L342 HydrophobicContact CD1-CD1 3.72Å; Y319-L342 HydrophobicContact CE1-CD1 3.93Å; Y319-L342 HydrophobicContact CG-CD1 4.14Å; Y319-L342 HydrophobicContact CG-CD2 4.38Å
320	G	91.9	Very high	93	Very high	11 Å²	11	59.1 Å²	59.1	11%	0.113	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.6	-174.2	0	0	0	0	0	115.8	V316 R328	V316-G320 VanDerWaalsContact O-CA 3.23Å; V316-G320 WeakPolarHBondContact O-CA 3.5Å; V316-G320 PolarHBondContact O-N 3.28Å; G320-R328 WeakPolarHBondContact O-CD 3.38Å; G320-R328 PolarHBondContact O-NH1 3.23Å
321	S	91.7	Very high	93.2	Very high	118 Å²	118	58.7 Å²	58.7	83%	0.825	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.7	172.3	54.2	0	0	0	0	114.5	Y319	Y319-S321 PolarHBondContact O-N 3.23Å
322	K	92.1	Very high	93.1	Very high	123 Å²	123	60 Å²	60	54%	0.535	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3	174.3	-64.3	-170.4	177	-171.6	0	113.2	Y319 L342	Y319-K322 WeakPolarHBondContact O-CA 3.36Å; Y319-K322 PolarHBondContact O-N 2.79Å; K322-L342 HydrophobicContact CB-CD2 3.99Å; K322-L342 HydrophobicContact CD-CB 4.5Å
323	L	93.4	Very high	93	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	35%	0.345	C	S	.	.	S	Bend	trans	-95.6	146.8	173.7	-62.1	179.8	0	0	0	110.5	V316 Y319 E327 R328 I331 L340 L342	V316-L323 HydrophobicContact CG2-CD1 4.19Å; Y319-L323 PolarHBondContact O-N 3.25Å; L323-E327 HydrophobicContact CB-CB 4.11Å; L323-E327 HydrophobicContact CD2-CB 4.47Å; L323-R328 HydrophobicContact CB-CG 4.07Å; L323-R328 PolarHBondContact O-NH1 3.46Å; L323-I331 HydrophobicContact CD1-CD1 4.21Å; L323-L340 HydrophobicContact CD2-CD2 4.26Å; L323-L342 HydrophobicContact CD2-CD2 4.36Å
324	T	92.7	Very high	93	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.043	33%	0.33	C	S	.	.			trans	-65.9	162.3	168.3	62.4	0	0	0	0	110.9	Y326 E327 R328 K346	T324-Y326 VanDerWaalsContact C-N 3.26Å; T324-Y326 PolarHBondContact O-N 3.08Å; T324-E327 WeakPolarHBondContact CB-OE2 3.42Å; T324-E327 WeakPolarHBondContact CG2-OE2 3.3Å; T324-E327 PolarHBondContact N-OE2 2.87Å; T324-E327 PolarHBondContact O-N 3.3Å; T324-E327 WeakPolarHBondContact OG1-CB 3.39Å; T324-E327 VanDerWaalsContact OG1-CG 3.23Å; T324-E327 WeakPolarHBondContact OG1-CG 3.23Å; T324-E327 PolarHBondContact OG1-N 3.24Å; T324-E327 PolarHBondContact OG1-OE2 2.83Å; T324-R328 PolarHBondContact O-N 3.47Å; T324-K346 HydrophobicContact CG2-CB 4Å; T324-K346 HydrophobicContact CG2-CD 4.35Å
325	E	91.1	Very high	92.8	Very high	143 Å²	143	65.4 Å²	65.4	67%	0.668	35%	0.345	S	S	*	.	H	α-helix	trans	-61.1	-36.6	175.6	-170.8	178.6	169.2	0	0	112.6	N329	E325-N329 PolarHBondContact O-ND2 3.44Å
326	Y	92.5	Very high	92.7	Very high	81 Å²	81	69.4 Å²	69.4	32%	0.318	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-48.5	173.6	-170.1	-91.7	0	0	0	111.3	T324 R328 N329 E330 P349 F373 R464	T324-Y326 VanDerWaalsContact C-N 3.26Å; T324-Y326 PolarHBondContact O-N 3.08Å; Y326-R328 PolarHBondContact O-N 3.15Å; Y326-N329 PolarHBondContact O-N 3.48Å; Y326-E330 HydrophobicContact CD1-CB 4.13Å; Y326-E330 HydrophobicContact CE1-CB 4.06Å; Y326-E330 HydrophobicContact CE1-CG 4.17Å; Y326-E330 WeakPolarHBondContact O-CB 3.44Å; Y326-E330 PolarHBondContact O-N 3.17Å; Y326-P349 HydrophobicContact CD2-CG 4.03Å; Y326-P349 HydrophobicContact CG-CG 4.13Å; Y326-F373 AromaticContact CD1-CE2 3.66Å; Y326-F373 HydrophobicContact CD1-CE2 3.66Å; Y326-F373 AromaticContact CD1-CZ 3.69Å; Y326-F373 HydrophobicContact CD1-CZ 3.69Å; Y326-F373 HydrophobicContact CD2-CE2 4.19Å; Y326-F373 AromaticContact CE1-CE2 3.55Å; Y326-F373 HydrophobicContact CE1-CE2 3.55Å; Y326-F373 HydrophobicContact CE1-CZ 4.01Å; Y326-F373 HydrophobicContact CE2-CE2 4.11Å; Y326-F373 AromaticContact CG-CE2 3.98Å; Y326-F373 HydrophobicContact CG-CE2 3.98Å; Y326-F373 HydrophobicContact CG-CZ 4.04Å; Y326-F373 AromaticContact CZ-CE2 3.79Å; Y326-R464 HydrophobicContact CE1-CG 4.13Å
327	E	94.8	Very high	92.8	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-64.7	-36.5	-179.1	-74.4	161.3	146.8	0	0	113.2	L323 T324 N329 E330 I331 K346 H387 Y390 R464	L323-E327 HydrophobicContact CB-CB 4.11Å; L323-E327 HydrophobicContact CD2-CB 4.47Å; T324-E327 WeakPolarHBondContact CB-OE2 3.42Å; T324-E327 WeakPolarHBondContact CG2-OE2 3.3Å; T324-E327 PolarHBondContact N-OE2 2.87Å; T324-E327 PolarHBondContact O-N 3.3Å; T324-E327 WeakPolarHBondContact OG1-CB 3.39Å; T324-E327 VanDerWaalsContact OG1-CG 3.23Å; T324-E327 WeakPolarHBondContact OG1-CG 3.23Å; T324-E327 PolarHBondContact OG1-N 3.24Å; T324-E327 PolarHBondContact OG1-OE2 2.83Å; E327-N329 PolarHBondContact O-N 3.48Å; E327-E330 PolarHBondContact O-N 2.96Å; E327-I331 WeakPolarHBondContact O-CB 3.36Å; E327-I331 WeakPolarHBondContact O-CG2 3.12Å; E327-I331 PolarHBondContact O-N 3.06Å; E327-K346 IonicContact OE1-NZ 3.26Å; E327-K346 PolarHBondContact OE1-NZ 3.06Å; E327-K346 WeakPolarHBondContact OE2-CD 3.33Å; E327-K346 IonicContact OE2-NZ 2.7Å; E327-H387 IonicContact OE1-CD2 3.84Å; E327-H387 IonicContact OE1-NE2 2.71Å; E327-H387 PolarHBondContact OE1-NE2 2.82Å; E327-Y390 WeakPolarHBondContact CA-OH 3.26Å; E327-Y390 PolarHBondContact O-OH 3.05Å; E327-R464 VanDerWaalsContact CG-NH2 3.27Å; E327-R464 IonicContact OE1-NH2 3.8Å; E327-R464 PolarHBondContact OE1-NH2 3.27Å
328	R	93.9	Very high	93	Very high	84 Å²	84	64 Å²	64	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-26.8	176.4	-75.3	-168.1	-67.2	-86.6	-1.6	113.3	V316 G320 L323 T324 Y326 Q332	V316-R328 HydrophobicContact CG1-CG 4.26Å; V316-R328 HydrophobicContact CG2-CB 4.41Å; V316-R328 HydrophobicContact CG2-CG 4.36Å; G320-R328 WeakPolarHBondContact O-CD 3.38Å; G320-R328 PolarHBondContact O-NH1 3.23Å; L323-R328 HydrophobicContact CB-CG 4.07Å; L323-R328 PolarHBondContact O-NH1 3.46Å; T324-R328 PolarHBondContact O-N 3.47Å; Y326-R328 PolarHBondContact O-N 3.15Å; R328-Q332 PolarHBondContact O-NE2 2.96Å; R328-Q332 VanDerWaalsContact O-NE2 3.13Å
329	N	92.4	Very high	93.1	Very high	113 Å²	113	59.5 Å²	59.5	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-90	-53	175.4	-61.1	-28	0	0	0	110.8	E325 Y326 E327 I331 Q332	E325-N329 PolarHBondContact O-ND2 3.44Å; Y326-N329 PolarHBondContact O-N 3.48Å; E327-N329 PolarHBondContact O-N 3.48Å; N329-I331 VanDerWaalsContact C-N 3.26Å; N329-I331 PolarHBondContact O-N 2.98Å; N329-Q332 PolarHBondContact O-N 3.12Å; N329-Q332 VanDerWaalsContact O-N 3.14Å
330	E	94.5	Very high	93.2	Very high	22 Å²	22	56.6 Å²	56.6	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-53.7	-39.9	-179.7	-179.2	-174.6	-142.5	0	0	112.5	Y326 E327 Q332 D333 Y334 Y390 F463 R464	Y326-E330 HydrophobicContact CD1-CB 4.13Å; Y326-E330 HydrophobicContact CE1-CB 4.06Å; Y326-E330 HydrophobicContact CE1-CG 4.17Å; Y326-E330 WeakPolarHBondContact O-CB 3.44Å; Y326-E330 PolarHBondContact O-N 3.17Å; E327-E330 PolarHBondContact O-N 2.96Å; E330-Q332 VanDerWaalsContact C-N 3.25Å; E330-Q332 PolarHBondContact O-N 3.05Å; E330-D333 PolarHBondContact O-N 3.25Å; E330-Y334 HydrophobicContact CG-CE2 4.09Å; E330-Y334 VanDerWaalsContact O-CD2 3.23Å; E330-Y334 WeakPolarHBondContact O-CD2 3.23Å; E330-Y334 WeakPolarHBondContact O-CE2 3.45Å; E330-Y390 HydrophobicContact CG-CE2 4.09Å; E330-Y390 PolarHBondContact OE2-OH 2.93Å; E330-F463 WeakPolarHBondContact OE1-CE2 3.34Å; E330-R464 WeakPolarHBondContact OE1-CG 3.09Å; E330-R464 IonicContact OE1-NE 3.47Å; E330-R464 PolarHBondContact OE1-NE 2.59Å; E330-R464 VanDerWaalsContact OE1-NE 3.07Å; E330-R464 IonicContact OE2-CZ 3.8Å; E330-R464 VanDerWaalsContact OE2-CZ 3.26Å; E330-R464 IonicContact OE2-NE 3.73Å; E330-R464 PolarHBondContact OE2-NE 3.25Å; E330-R464 IonicContact OE2-NH2 2.67Å; E330-R464 PolarHBondContact OE2-NH2 3.16Å
331	I	94.6	Very high	93.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-68.4	-19.3	-176.4	-157.8	172.8	0	0	0	113.9	G312 A315 V316 L323 E327 N329 D333 Y334 V337 L340 Y390	G312-I331 WeakPolarHBondContact CA-O 3.21Å; A315-I331 HydrophobicContact CB-CD1 3.59Å; V316-I331 HydrophobicContact CG2-CG2 3.33Å; L323-I331 HydrophobicContact CD1-CD1 4.21Å; E327-I331 WeakPolarHBondContact O-CB 3.36Å; E327-I331 WeakPolarHBondContact O-CG2 3.12Å; E327-I331 PolarHBondContact O-N 3.06Å; N329-I331 VanDerWaalsContact C-N 3.26Å; N329-I331 PolarHBondContact O-N 2.98Å; I331-D333 PolarHBondContact O-N 3.28Å; I331-Y334 PolarHBondContact O-N 2.76Å; I331-Y334 VanDerWaalsContact O-N 3.08Å; I331-V337 HydrophobicContact CD1-CG1 4.41Å; I331-V337 HydrophobicContact CD1-CG2 3.93Å; I331-V337 HydrophobicContact CG1-CG2 3.78Å; I331-L340 HydrophobicContact CD1-CD2 3.55Å; I331-Y390 HydrophobicContact CB-CE1 3.98Å; I331-Y390 HydrophobicContact CB-CE2 3.86Å; I331-Y390 HydrophobicContact CD1-CD1 3.75Å; I331-Y390 HydrophobicContact CD1-CE1 3.61Å; I331-Y390 HydrophobicContact CD1-CG 4.32Å; I331-Y390 HydrophobicContact CG1-CD1 3.88Å; I331-Y390 HydrophobicContact CG1-CD2 4.02Å; I331-Y390 HydrophobicContact CG1-CE1 3.69Å; I331-Y390 HydrophobicContact CG1-CE2 3.86Å; I331-Y390 HydrophobicContact CG1-CG 4.02Å
332	Q	91.2	Very high	93.5	Very high	84 Å²	84	52.1 Å²	52.1	39%	0.393	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67.5	-24.6	177.8	-53.7	-58	-29.7	0	0	112	T313 R328 N329 E330 Y334	T313-Q332 PolarHBondContact OG1-OE1 2.88Å; T313-Q332 VanDerWaalsContact OG1-OE1 3.07Å; R328-Q332 PolarHBondContact O-NE2 2.96Å; R328-Q332 VanDerWaalsContact O-NE2 3.13Å; N329-Q332 PolarHBondContact O-N 3.12Å; N329-Q332 VanDerWaalsContact O-N 3.14Å; E330-Q332 VanDerWaalsContact C-N 3.25Å; E330-Q332 PolarHBondContact O-N 3.05Å; Q332-Y334 PolarHBondContact O-N 3.13Å
333	D	90.3	Very high	93.4	Very high	138 Å²	138	51.7 Å²	51.7	74%	0.738	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-73.5	-6.3	174.2	-70.6	-19.9	0	0	0	112.9	E330 I331	E330-D333 PolarHBondContact O-N 3.25Å; I331-D333 PolarHBondContact O-N 3.28Å
334	Y	91.2	Very high	93.4	Very high	51 Å²	51	52 Å²	52	20%	0.2	26%	0.264	C	S	.	.			trans	-108.7	105.8	-175.3	-66.4	-102.4	0	0	0	111.5	G312 E330 I331 Q332 E336 A389 Y390	G312-Y334 PolarHBondContact N-O 2.8Å; E330-Y334 HydrophobicContact CG-CE2 4.09Å; E330-Y334 VanDerWaalsContact O-CD2 3.23Å; E330-Y334 WeakPolarHBondContact O-CD2 3.23Å; E330-Y334 WeakPolarHBondContact O-CE2 3.45Å; I331-Y334 PolarHBondContact O-N 2.76Å; I331-Y334 VanDerWaalsContact O-N 3.08Å; Q332-Y334 PolarHBondContact O-N 3.13Å; Y334-E336 VanDerWaalsContact C-N 3.28Å; Y334-E336 PolarHBondContact O-N 2.91Å; Y334-A389 HydrophobicContact CE1-CB 3.89Å; Y334-Y390 AromaticContact CD1-CD2 3.76Å; Y334-Y390 HydrophobicContact CD1-CD2 3.76Å; Y334-Y390 AromaticContact CD2-CD2 3.53Å; Y334-Y390 HydrophobicContact CD2-CD2 3.53Å; Y334-Y390 AromaticContact CD2-CE2 3.6Å; Y334-Y390 HydrophobicContact CD2-CE2 3.6Å; Y334-Y390 HydrophobicContact CE1-CD2 4Å; Y334-Y390 AromaticContact CE2-CD2 3.8Å; Y334-Y390 HydrophobicContact CE2-CD2 3.8Å; Y334-Y390 AromaticContact CE2-CE2 3.67Å; Y334-Y390 HydrophobicContact CE2-CE2 3.67Å; Y334-Y390 AromaticContact CG-CD2 3.52Å; Y334-Y390 HydrophobicContact CG-CD2 3.52Å; Y334-Y390 HydrophobicContact CG-CE2 4.09Å
335	A	90.6	Very high	93.3	Very high	87 Å²	87	56.5 Å²	56.5	72%	0.719	29%	0.294	S	S	*	.	S	Bend	trans	-63.5	-32.5	175.4	0	0	0	0	0	113
336	E	92.5	Very high	93.3	Very high	84 Å²	84	50.9 Å²	50.9	39%	0.393	27%	0.267	S	S	.	.			trans	-123.1	117.3	-179.1	-56.6	-174.3	146.5	0	0	111.3	C309 Y334 Y338	C309-E336 HydrophobicContact CB-CB 4.27Å; Y334-E336 VanDerWaalsContact C-N 3.28Å; Y334-E336 PolarHBondContact O-N 2.91Å; E336-Y338 HydrophobicContact CB-CD2 4.36Å; E336-Y338 HydrophobicContact CB-CE2 3.55Å; E336-Y338 PolarHBondContact OE2-OH 2.85Å
337	V	95.9	Very high	93	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.012	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-114.1	122.5	175.1	170.3	0	0	0	0	109.1	C309 M310 A315 I331 L340 Y390	C309-V337 VanDerWaalsContact CA-O 3.32Å; C309-V337 WeakPolarHBondContact CA-O 3.43Å; C309-V337 WeakPolarHBondContact CB-O 3.27Å; M310-V337 HydrophobicContact CG-CB 3.97Å; M310-V337 HydrophobicContact CG-CG1 4Å; M310-V337 PolarHBondContact N-O 2.93Å; M310-V337 WeakPolarHBondContact O-CB 3.47Å; M310-V337 PolarHBondContact O-N 3.47Å; A315-V337 HydrophobicContact CB-CG1 4.18Å; I331-V337 HydrophobicContact CD1-CG1 4.41Å; I331-V337 HydrophobicContact CD1-CG2 3.93Å; I331-V337 HydrophobicContact CG1-CG2 3.78Å; V337-L340 HydrophobicContact CG1-CD2 3.57Å; V337-L340 HydrophobicContact CG1-CG 4.04Å; V337-Y390 HydrophobicContact CG2-CG 4.37Å
338	Y	96.4	Very high	92	Very high	29 Å²	29	57.9 Å²	57.9	11%	0.114	30%	0.299	C	S	.	.			trans	-115.2	-24.5	-179.8	-56.1	-97	0	0	0	113.1	S307 C309 E336 Y390 R391 C413	S307-Y338 WeakPolarHBondContact OG-CE1 3.41Å; C309-Y338 HydrophobicContact CB-CD1 3.91Å; C309-Y338 HydrophobicContact CB-CD2 4.49Å; C309-Y338 HydrophobicContact CB-CE1 3.76Å; C309-Y338 HydrophobicContact CB-CE2 4.35Å; C309-Y338 HydrophobicContact CB-CG 4.29Å; E336-Y338 HydrophobicContact CB-CD2 4.36Å; E336-Y338 HydrophobicContact CB-CE2 3.55Å; E336-Y338 PolarHBondContact OE2-OH 2.85Å; Y338-Y390 PolarHBondContact N-O 2.86Å; Y338-R391 HydrophobicContact CD2-CB 4.07Å; Y338-R391 HydrophobicContact CD2-CG 3.96Å; Y338-R391 HydrophobicContact CG-CG 4.49Å; Y338-C413 HydrophobicContact CD1-CB 3.8Å; Y338-C413 HydrophobicContact CD2-CB 4.31Å; Y338-C413 HydrophobicContact CE1-CB 3.57Å; Y338-C413 HydrophobicContact CE2-CB 4.12Å; Y338-C413 HydrophobicContact CG-CB 4.16Å
339	F	96.4	Very high	90.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.009	30%	0.296	C	S	.	.			trans	-152.5	138.7	-178.4	-174.9	-107.4	0	0	0	112.1	G341 N385 H387 Y390 E393 H412	F339-G341 VanDerWaalsContact CE1-CA 3.48Å; F339-G341 VanDerWaalsContact CE1-N 3.32Å; F339-N385 WeakPolarHBondContact CZ-O 3.35Å; F339-H387 HydrophobicContact CD1-CB 3.72Å; F339-H387 HydrophobicContact CE1-CB 4.23Å; F339-Y390 PolarHBondContact N-O 2.7Å; F339-Y390 CarbonylContact O-C 3.56Å; F339-Y390 VanDerWaalsContact O-C 3.24Å; F339-Y390 VanDerWaalsContact O-CA 3.28Å; F339-Y390 WeakPolarHBondContact O-CA 3.42Å; F339-E393 HydrophobicContact CD1-CB 3.82Å; F339-E393 HydrophobicContact CD1-CG 4.43Å; F339-E393 HydrophobicContact CD2-CB 4.49Å; F339-E393 HydrophobicContact CE1-CB 3.51Å; F339-E393 HydrophobicContact CE1-CG 3.63Å; F339-E393 HydrophobicContact CE2-CB 4.22Å; F339-E393 HydrophobicContact CE2-CG 4.18Å; F339-E393 HydrophobicContact CG-CB 4.31Å; F339-E393 HydrophobicContact CZ-CB 3.73Å; F339-E393 VanDerWaalsContact CZ-CD 3.47Å; F339-E393 HydrophobicContact CZ-CG 3.47Å; F339-E393 VanDerWaalsContact CZ-CG 3.47Å; F339-E393 VanDerWaalsContact CZ-OE1 3.31Å; F339-E393 WeakPolarHBondContact CZ-OE1 3.45Å; F339-H412 HydrophobicContact CB-CB 3.97Å; F339-H412 AromaticContact CD2-CE1 3.97Å; F339-H412 AromaticContact CD2-ND1 3.85Å; F339-H412 AromaticContact CD2-NE2 3.77Å; F339-H412 AromaticContact CE2-NE2 3.92Å; F339-H412 AromaticContact CG-CD2 3.97Å
340	L	96.8	Very high	88.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.297	C	S	.	.			trans	-117.4	-9.6	-173.7	-69.8	177.9	0	0	0	114.7	I264 A315 Y319 L323 I331 V337 L342 K346 H387 Y390	I264-L340 HydrophobicContact CD1-CB 4.21Å; I264-L340 HydrophobicContact CD1-CD1 3.69Å; I264-L340 HydrophobicContact CD1-CG 3.66Å; A315-L340 HydrophobicContact CB-CD1 4.33Å; A315-L340 HydrophobicContact CB-CD2 4.32Å; Y319-L340 HydrophobicContact CD2-CD1 3.32Å; Y319-L340 HydrophobicContact CE2-CD1 3.98Å; Y319-L340 HydrophobicContact CG-CD1 3.86Å; L323-L340 HydrophobicContact CD2-CD2 4.26Å; I331-L340 HydrophobicContact CD1-CD2 3.55Å; V337-L340 HydrophobicContact CG1-CD2 3.57Å; V337-L340 HydrophobicContact CG1-CG 4.04Å; L340-L342 VanDerWaalsContact C-N 3.31Å; L340-L342 HydrophobicContact CB-CD2 3.62Å; L340-L342 HydrophobicContact CB-CG 3.82Å; L340-L342 HydrophobicContact CD1-CD2 3.99Å; L340-L342 HydrophobicContact CD1-CG 4.49Å; L340-L342 HydrophobicContact CG-CD2 4.46Å; L340-L342 PolarHBondContact O-N 2.95Å; L340-K346 WeakPolarHBondContact O-CE 3.46Å; L340-K346 PolarHBondContact O-NZ 2.96Å; L340-H387 PolarHBondContact O-CD2 3.48Å; L340-Y390 HydrophobicContact CD2-CD1 3.8Å; L340-Y390 HydrophobicContact CD2-CE1 4.24Å
341	G	95.6	Very high	86.5	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.021	32%	0.318	C	S	.	.			trans	61	34.4	-177.1	0	0	0	0	0	114.3	F339 N343 A344 K346 N385	F339-G341 VanDerWaalsContact CE1-CA 3.48Å; F339-G341 VanDerWaalsContact CE1-N 3.32Å; G341-N343 PolarHBondContact O-N 3.09Å; G341-A344 VanDerWaalsContact O-CB 3.28Å; G341-A344 WeakPolarHBondContact O-CB 3.2Å; G341-A344 PolarHBondContact O-N 3.04Å; G341-K346 VanDerWaalsContact O-CE 3.3Å; G341-K346 WeakPolarHBondContact O-CE 3.31Å; G341-N385 WeakPolarHBondContact CA-O 3.46Å
342	L	94.3	Very high	83.9	Confident	32 Å²	32	65.8 Å²	65.8	17%	0.168	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.8	-168.8	-61.7	180	0	0	0	115.5	Y319 K322 L323 L340	Y319-L342 HydrophobicContact CD1-CD1 3.72Å; Y319-L342 HydrophobicContact CE1-CD1 3.93Å; Y319-L342 HydrophobicContact CG-CD1 4.14Å; Y319-L342 HydrophobicContact CG-CD2 4.38Å; K322-L342 HydrophobicContact CB-CD2 3.99Å; K322-L342 HydrophobicContact CD-CB 4.5Å; L323-L342 HydrophobicContact CD2-CD2 4.36Å; L340-L342 VanDerWaalsContact C-N 3.31Å; L340-L342 HydrophobicContact CB-CD2 3.62Å; L340-L342 HydrophobicContact CB-CG 3.82Å; L340-L342 HydrophobicContact CD1-CD2 3.99Å; L340-L342 HydrophobicContact CD1-CG 4.49Å; L340-L342 HydrophobicContact CG-CD2 4.46Å; L340-L342 PolarHBondContact O-N 2.95Å
343	N	90.4	Very high	81.4	Confident	114 Å²	114	66.5 Å²	66.5	61%	0.61	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	4.1	-179.2	-62	-1.2	0	0	0	112.5	G341	G341-N343 PolarHBondContact O-N 3.09Å
344	A	92.5	Very high	79	Confident	14 Å²	14	63.6 Å²	63.6	12%	0.116	36%	0.36	C	S	.	.	S	Bend	trans	-81	146.5	-179.8	0	0	0	0	0	111.6	G341 K346 V383 D386	G341-A344 VanDerWaalsContact O-CB 3.28Å; G341-A344 WeakPolarHBondContact O-CB 3.2Å; G341-A344 PolarHBondContact O-N 3.04Å; A344-K346 HydrophobicContact CB-CG 4.34Å; A344-K346 PolarHBondContact O-N 3.38Å; A344-V383 HydrophobicContact CB-CG1 4.07Å; A344-D386 HydrophobicContact CB-CB 3.65Å
345	P	91.6	Very high	76.6	Confident	102 Å²	102	67.4 Å²	67.4	66%	0.662	39%	0.389	S	S	*	.			trans	-75.7	72.9	170.7	31.6	-33	0	0	0	109.9	V383	P345-V383 HydrophobicContact CG-CG1 3.95Å; P345-V383 WeakPolarHBondContact O-CG1 3.49Å
346	K	90.5	Very high	74	Confident	26 Å²	26	67.6 Å²	67.6	11%	0.113	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-57.2	143.6	-174	-70.6	173.6	174.9	-67	0	112.4	T324 E327 L340 G341 A344 D386 H387	T324-K346 HydrophobicContact CG2-CB 4Å; T324-K346 HydrophobicContact CG2-CD 4.35Å; E327-K346 IonicContact OE1-NZ 3.26Å; E327-K346 PolarHBondContact OE1-NZ 3.06Å; E327-K346 WeakPolarHBondContact OE2-CD 3.33Å; E327-K346 IonicContact OE2-NZ 2.7Å; L340-K346 WeakPolarHBondContact O-CE 3.46Å; L340-K346 PolarHBondContact O-NZ 2.96Å; G341-K346 VanDerWaalsContact O-CE 3.3Å; G341-K346 WeakPolarHBondContact O-CE 3.31Å; A344-K346 HydrophobicContact CB-CG 4.34Å; A344-K346 PolarHBondContact O-N 3.38Å; K346-D386 IonicContact NZ-OD1 3.87Å; K346-D386 PolarHBondContact NZ-OD1 3.2Å; K346-H387 PolarHBondContact NZ-CD2 3.04Å
347	R	87	Confident	71.5	Confident	87 Å²	87	67.3 Å²	67.3	33%	0.328	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-80.2	124.2	174	-66	-177.2	65.6	76.6	1.2	110.1	G372 F373 I381 V383	R347-G372 VanDerWaalsContact CZ-O 3.3Å; R347-G372 PolarHBondContact NE-O 2.83Å; R347-G372 PolarHBondContact NH2-O 3.32Å; R347-F373 HydrophobicContact CB-CD1 4.31Å; R347-F373 HydrophobicContact CB-CE1 4.29Å; R347-I381 VanDerWaalsContact CZ-CD1 3.46Å; R347-V383 HydrophobicContact CG-CG2 3.88Å
348	H	72.7	Confident	69	Low	141 Å²	141	70.7 Å²	70.7	65%	0.653	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-80.6	134.1	163.2	-66.4	-103.5	0	0	0	108.9
349	P	64.3	Low	66.5	Low	39 Å²	39	76.5 Å²	76.5	25%	0.253	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-54.7	151.4	166.3	-28.6	37.3	0	0	0	112.1	Y326 G351 T371 F373	Y326-P349 HydrophobicContact CD2-CG 4.03Å; Y326-P349 HydrophobicContact CG-CG 4.13Å; P349-G351 VanDerWaalsContact C-N 3.26Å; P349-G351 PolarHBondContact O-N 2.82Å; P349-T371 VanDerWaalsContact CA-O 3.31Å; P349-T371 WeakPolarHBondContact CA-O 3.27Å; P349-T371 WeakPolarHBondContact CB-O 3.47Å; P349-T371 WeakPolarHBondContact CG-O 3.5Å; P349-F373 HydrophobicContact CG-CE2 4.22Å; P349-F373 HydrophobicContact CG-CZ 4.14Å
350	L	56.4	Low	63.8	Low	122 Å²	122	84.8 Å²	84.8	64%	0.639	47%	0.472	S	S	*	.			trans	-71.8	84.6	170.7	-79.8	159.4	0	0	0	109.3
351	G	45.1	Very low	61	Low	51 Å²	51	95.8 Å²	95.8	53%	0.526	51%	0.513	S	S	.	.			trans	-57	162.1	173.8	0	0	0	0	0	112.3	P349 S353	P349-G351 VanDerWaalsContact C-N 3.26Å; P349-G351 PolarHBondContact O-N 2.82Å; G351-S353 PolarHBondContact O-N 3.42Å
352	N	40.9	Very low	58.2	Low	174 Å²	174	99.3 Å²	99.3	93%	0.93	54%	0.538	S	S	*	.	S	Bend	trans	-63.8	16.4	-166.2	-69	-39.7	0	0	0	117.1	I354	N352-I354 PolarHBondContact O-N 3.04Å
353	S	38.8	Very low	55.4	Low	98 Å²	98	103.5 Å²	103.5	69%	0.685	57%	0.569	S	S	*	*			trans	-91.3	29.2	-177	-167.2	0	0	0	0	114.4	G351 T355	G351-S353 PolarHBondContact O-N 3.42Å; S353-T355 PolarHBondContact O-N 3.46Å
354	I	39.7	Very low	53.2	Low	78 Å²	78	105.9 Å²	105.9	40%	0.4	58%	0.581	S	S	.	*			trans	-78.5	80.7	166.2	-53.7	-179	0	0	0	108.6	N352 D356	N352-I354 PolarHBondContact O-N 3.04Å; I354-D356 HydrophobicContact CG2-CB 4.29Å
355	T	39.8	Very low	50.7	Low	131 Å²	131	110.3 Å²	110.3	80%	0.804	60%	0.601	S	S	*	*			trans	-73.1	-17.2	166.3	47.6	0	0	0	0	112.2	S353 A357	S353-T355 PolarHBondContact O-N 3.46Å; T355-A357 PolarHBondContact O-N 3.41Å
356	D	37.1	Very low	48.3	Very low	91 Å²	91	108.4 Å²	108.4	49%	0.487	59%	0.59	S	S	.	*			trans	-67.7	109.9	178	-166.4	-31.7	0	0	0	111.5	I354 S358	I354-D356 HydrophobicContact CG2-CB 4.29Å; D356-S358 PolarHBondContact O-N 2.88Å; D356-S358 VanDerWaalsContact O-N 3.17Å; D356-S358 WeakPolarHBondContact OD1-CB 3.3Å; D356-S358 PolarHBondContact OD1-N 2.72Å; D356-S358 PolarHBondContact OD1-OG 2.73Å
357	A	39.7	Very low	46.2	Very low	77 Å²	77	112.6 Å²	112.6	64%	0.636	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-13.1	-176.9	0	0	0	0	0	114	T355 Y359 K360	T355-A357 PolarHBondContact O-N 3.41Å; A357-Y359 VanDerWaalsContact C-N 3.35Å; A357-Y359 PolarHBondContact O-N 3.37Å; A357-K360 PolarHBondContact O-N 2.99Å
358	S	42.9	Very low	44.3	Very low	74 Å²	74	110 Å²	110	52%	0.517	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-39.5	178.4	61.5	0	0	0	0	112.9	D356 K360	D356-S358 PolarHBondContact O-N 2.88Å; D356-S358 VanDerWaalsContact O-N 3.17Å; D356-S358 WeakPolarHBondContact OD1-CB 3.3Å; D356-S358 PolarHBondContact OD1-N 2.72Å; D356-S358 PolarHBondContact OD1-OG 2.73Å; S358-K360 PolarHBondContact O-N 2.8Å
359	Y	43.5	Very low	43.2	Very low	151 Å²	151	105.5 Å²	105.5	59%	0.592	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-73.9	-25.3	-176.3	-84.9	-91.2	0	0	0	114.1	A357 R361 S362	A357-Y359 VanDerWaalsContact C-N 3.35Å; A357-Y359 PolarHBondContact O-N 3.37Å; Y359-R361 PolarHBondContact O-N 3.41Å; Y359-R361 VanDerWaalsContact O-N 3.15Å; Y359-S362 PolarHBondContact O-N 2.97Å
360	K	39.4	Very low	42.7	Very low	175 Å²	175	108.4 Å²	108.4	76%	0.761	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-71.3	-6.5	-176.6	-79.8	179.1	176.9	168.9	0	114.8	A357 S358	A357-K360 PolarHBondContact O-N 2.99Å; S358-K360 PolarHBondContact O-N 2.8Å
361	R	39.6	Very low	43.2	Very low	233 Å²	233	104.3 Å²	104.3	88%	0.879	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-87.4	-9.7	178.6	-109.8	176.2	-179.8	156.6	2	115	Y359 S363	Y359-R361 PolarHBondContact O-N 3.41Å; Y359-R361 VanDerWaalsContact O-N 3.15Å; R361-S363 PolarHBondContact O-N 3.14Å
362	S	35.7	Very low	45	Very low	76 Å²	76	102.1 Å²	102.1	53%	0.531	56%	0.563	S	S	.	*			trans	-100.6	76	-176.5	-64.1	0	0	0	0	111.6	Y359 I364	Y359-S362 PolarHBondContact O-N 2.97Å; S362-I364 PolarHBondContact O-N 2.9Å
363	S	35.8	Very low	47.4	Very low	119 Å²	119	94 Å²	94	83%	0.832	52%	0.52	S	S	*	.			trans	-73.8	32.8	-173.1	64.5	0	0	0	0	115.5	R361	R361-S363 PolarHBondContact O-N 3.14Å
364	I	44.9	Very low	49.9	Very low	165 Å²	165	90.1 Å²	90.1	85%	0.846	49%	0.491	S	S	*	.			trans	-142.5	70.8	176.3	-46.4	178.3	0	0	0	108.6	S362	S362-I364 PolarHBondContact O-N 2.9Å
365	I	39.2	Very low	52.3	Low	106 Å²	106	87.6 Å²	87.6	54%	0.544	48%	0.478	S	S	.	.			trans	-121.4	128.8	167.8	-61.7	176.8	0	0	0	106.7	N369	I365-N369 HydrophobicContact CG2-CB 3.98Å
366	S	41.4	Very low	54.6	Low	63 Å²	63	85.5 Å²	85.5	44%	0.441	47%	0.474	S	S	.	.			trans	-71.6	147.1	178.9	49	0	0	0	0	111.5	S368 N369	S366-S368 PolarHBondContact O-N 3.21Å; S366-S368 VanDerWaalsContact O-N 3.08Å; S366-S368 PolarHBondContact OG-OG 3.21Å; S366-N369 PolarHBondContact O-N 3.07Å
367	I	46.4	Very low	57	Low	113 Å²	113	86.6 Å²	86.6	58%	0.579	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-60.8	-22.2	-177.1	-62.1	172.8	0	0	0	112	V191 N369 V370	V191-I367 HydrophobicContact CG1-CD1 3.9Å; I367-N369 VanDerWaalsContact C-N 3.28Å; I367-N369 PolarHBondContact O-N 3.43Å; I367-V370 VanDerWaalsContact O-CB 3.32Å; I367-V370 WeakPolarHBondContact O-CB 3.32Å; I367-V370 VanDerWaalsContact O-CG2 3.3Å; I367-V370 WeakPolarHBondContact O-CG2 3.21Å; I367-V370 PolarHBondContact O-N 3.06Å
368	S	46.5	Very low	59.4	Low	32 Å²	32	83.8 Å²	83.8	22%	0.224	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-49.9	-45	170	54.2	0	0	0	0	113.2	S366 V370 T371	S366-S368 PolarHBondContact O-N 3.21Å; S366-S368 VanDerWaalsContact O-N 3.08Å; S366-S368 PolarHBondContact OG-OG 3.21Å; S368-V370 PolarHBondContact O-N 2.55Å; S368-V370 VanDerWaalsContact O-N 3.16Å; S368-T371 PolarHBondContact O-N 3.21Å; S368-T371 PolarHBondContact O-OG1 2.93Å
369	N	50.6	Low	61.8	Low	48 Å²	48	80.4 Å²	80.4	26%	0.257	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-75.5	-7.6	-171.3	-67.8	29.9	0	0	0	113	I365 S366 I367 T371 G372	I365-N369 HydrophobicContact CG2-CB 3.98Å; S366-N369 PolarHBondContact O-N 3.07Å; I367-N369 VanDerWaalsContact C-N 3.28Å; I367-N369 PolarHBondContact O-N 3.43Å; N369-T371 PolarHBondContact O-N 3.38Å; N369-G372 PolarHBondContact O-N 3.34Å
370	V	53.6	Low	64.3	Low	99 Å²	99	73.6 Å²	73.6	60%	0.6	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-63.6	-23.7	175.2	-179.9	0	0	0	0	111.5	I367 S368	I367-V370 VanDerWaalsContact O-CB 3.32Å; I367-V370 WeakPolarHBondContact O-CB 3.32Å; I367-V370 VanDerWaalsContact O-CG2 3.3Å; I367-V370 WeakPolarHBondContact O-CG2 3.21Å; I367-V370 PolarHBondContact O-N 3.06Å; S368-V370 PolarHBondContact O-N 2.55Å; S368-V370 VanDerWaalsContact O-N 3.16Å
371	T	66.5	Low	66.8	Low	37 Å²	37	67.5 Å²	67.5	23%	0.227	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-81.8	-18.3	-179.3	72.2	0	0	0	0	114.3	P349 S368 N369 F373	P349-T371 VanDerWaalsContact CA-O 3.31Å; P349-T371 WeakPolarHBondContact CA-O 3.27Å; P349-T371 WeakPolarHBondContact CB-O 3.47Å; P349-T371 WeakPolarHBondContact CG-O 3.5Å; S368-T371 PolarHBondContact O-N 3.21Å; S368-T371 PolarHBondContact O-OG1 2.93Å; N369-T371 PolarHBondContact O-N 3.38Å; T371-F373 PolarHBondContact O-N 3.16Å; T371-F373 PolarHBondContact OG1-N 2.81Å
372	G	82.6	Confident	69.4	Low	5 Å²	5	58.4 Å²	58.4	5%	0.052	35%	0.345	C	S	.	.	S	Bend	trans	69.9	2.4	-175.1	0	0	0	0	0	116.2	R347 N369	R347-G372 VanDerWaalsContact CZ-O 3.3Å; R347-G372 PolarHBondContact NE-O 2.83Å; R347-G372 PolarHBondContact NH2-O 3.32Å; N369-G372 PolarHBondContact O-N 3.34Å
373	F	91.2	Very high	72.2	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.018	32%	0.324	C	S	.	.			trans	-84.6	-21.4	176.9	-64.4	-64.8	0	0	0	114	Y326 R347 P349 T371 Y380 I381 R464	Y326-F373 AromaticContact CD1-CE2 3.66Å; Y326-F373 HydrophobicContact CD1-CE2 3.66Å; Y326-F373 AromaticContact CD1-CZ 3.69Å; Y326-F373 HydrophobicContact CD1-CZ 3.69Å; Y326-F373 HydrophobicContact CD2-CE2 4.19Å; Y326-F373 AromaticContact CE1-CE2 3.55Å; Y326-F373 HydrophobicContact CE1-CE2 3.55Å; Y326-F373 HydrophobicContact CE1-CZ 4.01Å; Y326-F373 HydrophobicContact CE2-CE2 4.11Å; Y326-F373 AromaticContact CG-CE2 3.98Å; Y326-F373 HydrophobicContact CG-CE2 3.98Å; Y326-F373 HydrophobicContact CG-CZ 4.04Å; Y326-F373 AromaticContact CZ-CE2 3.79Å; R347-F373 HydrophobicContact CB-CD1 4.31Å; R347-F373 HydrophobicContact CB-CE1 4.29Å; P349-F373 HydrophobicContact CG-CE2 4.22Å; P349-F373 HydrophobicContact CG-CZ 4.14Å; T371-F373 PolarHBondContact O-N 3.16Å; T371-F373 PolarHBondContact OG1-N 2.81Å; F373-Y380 HydrophobicContact CB-CD2 4.07Å; F373-Y380 HydrophobicContact CB-CE2 3.77Å; F373-Y380 HydrophobicContact CD1-CE2 4.28Å; F373-Y380 HydrophobicContact CG-CE2 4.18Å; F373-I381 VanDerWaalsContact O-CB 3.32Å; F373-I381 WeakPolarHBondContact O-CB 3.38Å; F373-I381 VanDerWaalsContact O-CG1 3.31Å; F373-I381 WeakPolarHBondContact O-CG1 3.28Å; F373-I381 PolarHBondContact O-N 3.46Å; F373-R464 HydrophobicContact CD2-CB 4.27Å; F373-R464 HydrophobicContact CD2-CG 4.29Å; F373-R464 HydrophobicContact CE2-CG 4.38Å
374	D	91.7	Very high	74.9	Confident	15 Å²	15	53.1 Å²	53.1	8%	0.08	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-93.7	144.9	-173.8	-61.7	46	0	0	0	112.8	I381 S425 H466	D374-I381 WeakPolarHBondContact O-CD1 3.33Å; D374-S425 WeakPolarHBondContact OD2-CB 3.32Å; D374-S425 PolarHBondContact OD2-OG 2.82Å; D374-H466 IonicContact OD1-NE2 3.04Å; D374-H466 IonicContact OD2-CE1 2.8Å; D374-H466 IonicContact OD2-NE2 3.74Å
375	D	90.1	Very high	77.3	Confident	26 Å²	26	48.9 Å²	48.9	14%	0.139	29%	0.285	C	S	.	.			trans	-75.4	169.5	165.3	72.9	17.1	0	0	0	111.9	Q377 S378 S379 I381 K400	D375-Q377 PolarHBondContact O-N 3.01Å; D375-Q377 WeakPolarHBondContact OD1-CA 3.3Å; D375-Q377 PolarHBondContact OD1-N 3.34Å; D375-S378 PolarHBondContact O-N 3.48Å; D375-S378 PolarHBondContact OD1-N 3Å; D375-S379 VanDerWaalsContact CG-CB 3.48Å; D375-S379 VanDerWaalsContact CG-OG 3.25Å; D375-S379 PolarHBondContact N-O 3.43Å; D375-S379 WeakPolarHBondContact OD1-CA 3.42Å; D375-S379 VanDerWaalsContact OD1-CB 3.24Å; D375-S379 WeakPolarHBondContact OD1-CB 3.3Å; D375-S379 PolarHBondContact OD1-N 2.65Å; D375-S379 PolarHBondContact OD1-OG 3.48Å; D375-S379 VanDerWaalsContact OD2-CB 3.25Å; D375-S379 WeakPolarHBondContact OD2-CB 3.28Å; D375-S379 PolarHBondContact OD2-OG 2.79Å; D375-S379 VanDerWaalsContact OD2-OG 3.04Å; D375-I381 HydrophobicContact CB-CD1 4.39Å; D375-I381 HydrophobicContact CB-CG1 4.03Å; D375-K400 IonicContact OD2-NZ 2.72Å; D375-K400 PolarHBondContact OD2-NZ 2.77Å; D375-K400 VanDerWaalsContact OD2-NZ 3.12Å
376	A	88.6	Confident	80	Confident	86 Å²	86	44 Å²	44	71%	0.711	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-0.4	179.5	0	0	0	0	0	113.9
377	Q	87.4	Confident	82.7	Confident	114 Å²	114	41.1 Å²	41.1	53%	0.533	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	23.6	173.1	-60.4	79.4	33.1	0	0	111.5	D375 S379 K424	D375-Q377 PolarHBondContact O-N 3.01Å; D375-Q377 WeakPolarHBondContact OD1-CA 3.3Å; D375-Q377 PolarHBondContact OD1-N 3.34Å; Q377-S379 VanDerWaalsContact C-N 3.25Å; Q377-S379 PolarHBondContact O-N 2.82Å; Q377-K424 WeakPolarHBondContact O-CD 3.43Å; Q377-K424 WeakPolarHBondContact O-CE 3.31Å; Q377-K424 PolarHBondContact O-NZ 3.34Å
378	S	90.9	Very high	85.1	Confident	19 Å²	19	35.8 Å²	35.8	13%	0.133	21%	0.212	C	C	.	.	S	Bend	trans	60.9	28.9	175.7	-64.6	0	0	0	0	114.3	D375 K424 S425 H466	D375-S378 PolarHBondContact O-N 3.48Å; D375-S378 PolarHBondContact OD1-N 3Å; S378-K424 CarbonylContact O-C 3.57Å; S378-K424 WeakPolarHBondContact O-CA 3.24Å; S378-K424 VanDerWaalsContact O-CB 3.24Å; S378-K424 WeakPolarHBondContact O-CB 3.48Å; S378-K424 WeakPolarHBondContact O-CG 3.28Å; S378-S425 WeakPolarHBondContact CB-OG 3.38Å; S378-S425 PolarHBondContact O-N 2.84Å; S378-S425 PolarHBondContact O-OG 3.26Å; S378-H466 PolarHBondContact O-CE1 3.21Å
379	S	92.8	Very high	87.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.014	21%	0.207	C	C	.	.			trans	-102.7	134.7	175.5	-20	0	0	0	0	110.4	D375 Q377 I381	D375-S379 VanDerWaalsContact CG-CB 3.48Å; D375-S379 VanDerWaalsContact CG-OG 3.25Å; D375-S379 PolarHBondContact N-O 3.43Å; D375-S379 WeakPolarHBondContact OD1-CA 3.42Å; D375-S379 VanDerWaalsContact OD1-CB 3.24Å; D375-S379 WeakPolarHBondContact OD1-CB 3.3Å; D375-S379 PolarHBondContact OD1-N 2.65Å; D375-S379 PolarHBondContact OD1-OG 3.48Å; D375-S379 VanDerWaalsContact OD2-CB 3.25Å; D375-S379 WeakPolarHBondContact OD2-CB 3.28Å; D375-S379 PolarHBondContact OD2-OG 2.79Å; D375-S379 VanDerWaalsContact OD2-OG 3.04Å; Q377-S379 VanDerWaalsContact C-N 3.25Å; Q377-S379 PolarHBondContact O-N 2.82Å; S379-I381 PolarHBondContact O-N 2.91Å
380	Y	94.3	Very high	89.7	Confident	9 Å²	9	32.6 Å²	32.6	4%	0.035	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-58.3	129.3	177.8	-169	-108.4	0	0	0	111.7	F373 L382 L388 H405 I422 R464 H466	F373-Y380 HydrophobicContact CB-CD2 4.07Å; F373-Y380 HydrophobicContact CB-CE2 3.77Å; F373-Y380 HydrophobicContact CD1-CE2 4.28Å; F373-Y380 HydrophobicContact CG-CE2 4.18Å; Y380-L382 HydrophobicContact CD1-CD2 4.26Å; Y380-L382 PolarHBondContact O-N 2.74Å; Y380-L388 HydrophobicContact CD1-CD2 4.49Å; Y380-L388 HydrophobicContact CE1-CD2 3.87Å; Y380-H405 PolarHBondContact O-CE1 2.93Å; Y380-H405 PolarHBondContact O-ND1 3.44Å; Y380-I422 HydrophobicContact CD1-CD1 4.41Å; Y380-I422 HydrophobicContact CG-CG2 4.37Å; Y380-R464 HydrophobicContact CE2-CB 4.14Å; Y380-R464 PolarHBondContact OH-NH1 3.1Å; Y380-H466 AromaticContact CD2-CD2 3.46Å; Y380-H466 VanDerWaalsContact CD2-CD2 3.46Å; Y380-H466 WeakPolarHBondContact CD2-CD2 3.27Å; Y380-H466 AromaticContact CD2-NE2 3.66Å; Y380-H466 AromaticContact CG-CD2 3.93Å; Y380-H466 PolarHBondContact N-CE1 2.67Å; Y380-H466 VanDerWaalsContact N-CE1 3.34Å
381	I	93.7	Very high	91.8	Very high	46 Å²	46	30.1 Å²	30.1	24%	0.236	17%	0.174	C	C	.	.			trans	-80.2	104.1	179.2	-61.4	169.1	0	0	0	109	R347 F373 D374 D375 S379 V383	R347-I381 VanDerWaalsContact CZ-CD1 3.46Å; F373-I381 VanDerWaalsContact O-CB 3.32Å; F373-I381 WeakPolarHBondContact O-CB 3.38Å; F373-I381 VanDerWaalsContact O-CG1 3.31Å; F373-I381 WeakPolarHBondContact O-CG1 3.28Å; F373-I381 PolarHBondContact O-N 3.46Å; D374-I381 WeakPolarHBondContact O-CD1 3.33Å; D375-I381 HydrophobicContact CB-CD1 4.39Å; D375-I381 HydrophobicContact CB-CG1 4.03Å; S379-I381 PolarHBondContact O-N 2.91Å; I381-V383 PolarHBondContact O-N 3.33Å
382	L	93.2	Very high	93.3	Very high	42 Å²	42	28.4 Å²	28.4	22%	0.22	16%	0.164	C	C	.	.			trans	-62	130.4	179.7	-60.5	179	0	0	0	112.2	Y380 P397 H405 V407 I422	Y380-L382 HydrophobicContact CD1-CD2 4.26Å; Y380-L382 PolarHBondContact O-N 2.74Å; L382-P397 HydrophobicContact CD1-CB 4.36Å; L382-H405 HydrophobicContact CD1-CB 4.19Å; L382-V407 HydrophobicContact CD1-CG1 3.57Å; L382-V407 HydrophobicContact CD2-CG1 3.61Å; L382-V407 HydrophobicContact CG-CG1 4.24Å; L382-I422 HydrophobicContact CD2-CD1 3.79Å
383	V	94.1	Very high	94	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	17%	0.167	C	C	.	.			trans	-115.8	119.4	169.5	-177.9	0	0	0	0	108.2	A344 P345 R347 I381 D386	A344-V383 HydrophobicContact CB-CG1 4.07Å; P345-V383 HydrophobicContact CG-CG1 3.95Å; P345-V383 WeakPolarHBondContact O-CG1 3.49Å; R347-V383 HydrophobicContact CG-CG2 3.88Å; I381-V383 PolarHBondContact O-N 3.33Å; V383-D386 HydrophobicContact CB-CB 3.75Å; V383-D386 HydrophobicContact CG1-CB 3.87Å; V383-D386 WeakPolarHBondContact O-CB 3.34Å; V383-D386 PolarHBondContact O-N 3.34Å
384	P	92.6	Very high	94.3	Very high	71 Å²	71	29.4 Å²	29.4	46%	0.461	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	139.2	177	-24	34.9	0	0	0	112.8	D386	P384-D386 PolarHBondContact O-N 3.21Å
385	N	95.7	Very high	94.5	Very high	76 Å²	76	31.2 Å²	31.2	41%	0.406	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	10.5	-175.4	-34.6	-72	0	0	0	115	F339 G341 V394	F339-N385 WeakPolarHBondContact CZ-O 3.35Å; G341-N385 WeakPolarHBondContact CA-O 3.46Å; N385-V394 WeakPolarHBondContact CA-O 3.39Å; N385-V394 PolarHBondContact N-O 3.5Å
386	D	96.7	Very high	94.7	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	20%	0.195	C	C	.	.			trans	-83	167.5	170.8	-157.8	9.5	0	0	0	111.2	A344 K346 V383 P384 V394	A344-D386 HydrophobicContact CB-CB 3.65Å; K346-D386 IonicContact NZ-OD1 3.87Å; K346-D386 PolarHBondContact NZ-OD1 3.2Å; V383-D386 HydrophobicContact CB-CB 3.75Å; V383-D386 HydrophobicContact CG1-CB 3.87Å; V383-D386 WeakPolarHBondContact O-CB 3.34Å; V383-D386 PolarHBondContact O-N 3.34Å; P384-D386 PolarHBondContact O-N 3.21Å; D386-V394 PolarHBondContact O-N 2.89Å
387	H	97.3	Very high	94.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	154.6	-178.9	74.8	84.3	0	0	0	113.7	E327 F339 L340 K346 Y390 Y392 F463 R464	E327-H387 IonicContact OE1-CD2 3.84Å; E327-H387 IonicContact OE1-NE2 2.71Å; E327-H387 PolarHBondContact OE1-NE2 2.82Å; F339-H387 HydrophobicContact CD1-CB 3.72Å; F339-H387 HydrophobicContact CE1-CB 4.23Å; L340-H387 PolarHBondContact O-CD2 3.48Å; K346-H387 PolarHBondContact NZ-CD2 3.04Å; H387-Y390 AromaticContact CE1-CD1 3.42Å; H387-Y390 VanDerWaalsContact CE1-CD1 3.42Å; H387-Y390 WeakPolarHBondContact CE1-CD1 3.31Å; H387-Y390 AromaticContact CE1-CE1 3.12Å; H387-Y390 WeakPolarHBondContact CE1-CE1 3.41Å; H387-Y390 AromaticContact CE1-CE2 3.93Å; H387-Y390 AromaticContact CE1-CG 3.97Å; H387-Y390 AromaticContact CE1-CZ 3.4Å; H387-Y390 VanDerWaalsContact CE1-CZ 3.4Å; H387-Y390 AromaticContact ND1-CD1 3.66Å; H387-Y390 AromaticContact ND1-CE1 3.85Å; H387-Y390 AromaticContact ND1-CG 3.98Å; H387-Y390 PolarHBondContact ND1-N 3.43Å; H387-Y390 AromaticContact NE2-CD1 3.69Å; H387-Y390 AromaticContact NE2-CE1 3.21Å; H387-Y390 WeakPolarHBondContact NE2-CE1 3.29Å; H387-Y390 AromaticContact NE2-CZ 3.81Å; H387-Y392 CarbonylContact C-O 3.5Å; H387-Y392 VanDerWaalsContact CA-O 3.25Å; H387-Y392 WeakPolarHBondContact CA-O 3.24Å; H387-F463 AromaticContact CE1-CZ 3.63Å; H387-F463 AromaticContact ND1-CZ 3.71Å; H387-R464 PolarHBondContact CE1-NH2 3.42Å
388	L	96.7	Very high	95.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.9	155.4	-54.2	171.3	0	0	0	108.4	Y380 Y390 R391 Y392 V394 I420 I422 F461 F463	Y380-L388 HydrophobicContact CD1-CD2 4.49Å; Y380-L388 HydrophobicContact CE1-CD2 3.87Å; L388-Y390 PolarHBondContact O-N 2.88Å; L388-R391 PolarHBondContact O-N 3.23Å; L388-R391 VanDerWaalsContact O-N 3.09Å; L388-Y392 PolarHBondContact N-O 2.93Å; L388-Y392 PolarHBondContact O-N 3.38Å; L388-V394 HydrophobicContact CD1-CG2 3.79Å; L388-V394 HydrophobicContact CD2-CG2 4.2Å; L388-V394 HydrophobicContact CG-CG2 3.65Å; L388-I420 HydrophobicContact CD1-CD1 4.13Å; L388-I420 HydrophobicContact CD1-CG2 4.17Å; L388-I422 HydrophobicContact CD1-CD1 3.69Å; L388-I422 HydrophobicContact CD1-CG1 4.27Å; L388-I422 HydrophobicContact CD2-CD1 4.25Å; L388-F461 HydrophobicContact CB-CE2 4.3Å; L388-F461 HydrophobicContact CB-CZ 4.12Å; L388-F463 HydrophobicContact CB-CD1 4.3Å; L388-F463 HydrophobicContact CB-CE1 4.36Å; L388-F463 HydrophobicContact CD2-CD1 3.75Å; L388-F463 HydrophobicContact CD2-CE1 3.68Å
389	A	96.7	Very high	94.8	Very high	13 Å²	13	34.9 Å²	34.9	11%	0.107	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	37	177.9	0	0	0	0	0	114.3	Y334 R391 F461 F463	Y334-A389 HydrophobicContact CE1-CB 3.89Å; A389-R391 PolarHBondContact O-N 3.14Å; A389-F461 HydrophobicContact CB-CD2 3.68Å; A389-F461 HydrophobicContact CB-CE2 3.49Å; A389-F461 VanDerWaalsContact CB-CE2 3.49Å; A389-F461 HydrophobicContact CB-CG 4.33Å; A389-F461 HydrophobicContact CB-CZ 4Å; A389-F463 HydrophobicContact CB-CD2 4.21Å; A389-F463 VanDerWaalsContact N-CD2 3.33Å; A389-F463 VanDerWaalsContact N-CE2 3.26Å
390	Y	97.3	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	23.7	-177.5	-58.2	-76.4	0	0	0	116.2	E327 E330 I331 Y334 V337 Y338 F339 L340 H387 L388	E327-Y390 WeakPolarHBondContact CA-OH 3.26Å; E327-Y390 PolarHBondContact O-OH 3.05Å; E330-Y390 HydrophobicContact CG-CE2 4.09Å; E330-Y390 PolarHBondContact OE2-OH 2.93Å; I331-Y390 HydrophobicContact CB-CE1 3.98Å; I331-Y390 HydrophobicContact CB-CE2 3.86Å; I331-Y390 HydrophobicContact CD1-CD1 3.75Å; I331-Y390 HydrophobicContact CD1-CE1 3.61Å; I331-Y390 HydrophobicContact CD1-CG 4.32Å; I331-Y390 HydrophobicContact CG1-CD1 3.88Å; I331-Y390 HydrophobicContact CG1-CD2 4.02Å; I331-Y390 HydrophobicContact CG1-CE1 3.69Å; I331-Y390 HydrophobicContact CG1-CE2 3.86Å; I331-Y390 HydrophobicContact CG1-CG 4.02Å; Y334-Y390 AromaticContact CD1-CD2 3.76Å; Y334-Y390 HydrophobicContact CD1-CD2 3.76Å; Y334-Y390 AromaticContact CD2-CD2 3.53Å; Y334-Y390 HydrophobicContact CD2-CD2 3.53Å; Y334-Y390 AromaticContact CD2-CE2 3.6Å; Y334-Y390 HydrophobicContact CD2-CE2 3.6Å; Y334-Y390 HydrophobicContact CE1-CD2 4Å; Y334-Y390 AromaticContact CE2-CD2 3.8Å; Y334-Y390 HydrophobicContact CE2-CD2 3.8Å; Y334-Y390 AromaticContact CE2-CE2 3.67Å; Y334-Y390 HydrophobicContact CE2-CE2 3.67Å; Y334-Y390 AromaticContact CG-CD2 3.52Å; Y334-Y390 HydrophobicContact CG-CD2 3.52Å; Y334-Y390 HydrophobicContact CG-CE2 4.09Å; V337-Y390 HydrophobicContact CG2-CG 4.37Å; Y338-Y390 PolarHBondContact N-O 2.86Å; F339-Y390 PolarHBondContact N-O 2.7Å; F339-Y390 CarbonylContact O-C 3.56Å; F339-Y390 VanDerWaalsContact O-C 3.24Å; F339-Y390 VanDerWaalsContact O-CA 3.28Å; F339-Y390 WeakPolarHBondContact O-CA 3.42Å; L340-Y390 HydrophobicContact CD2-CD1 3.8Å; L340-Y390 HydrophobicContact CD2-CE1 4.24Å; H387-Y390 AromaticContact CE1-CD1 3.42Å; H387-Y390 VanDerWaalsContact CE1-CD1 3.42Å; H387-Y390 WeakPolarHBondContact CE1-CD1 3.31Å; H387-Y390 AromaticContact CE1-CE1 3.12Å; H387-Y390 WeakPolarHBondContact CE1-CE1 3.41Å; H387-Y390 AromaticContact CE1-CE2 3.93Å; H387-Y390 AromaticContact CE1-CG 3.97Å; H387-Y390 AromaticContact CE1-CZ 3.4Å; H387-Y390 VanDerWaalsContact CE1-CZ 3.4Å; H387-Y390 AromaticContact ND1-CD1 3.66Å; H387-Y390 AromaticContact ND1-CE1 3.85Å; H387-Y390 AromaticContact ND1-CG 3.98Å; H387-Y390 PolarHBondContact ND1-N 3.43Å; H387-Y390 AromaticContact NE2-CD1 3.69Å; H387-Y390 AromaticContact NE2-CE1 3.21Å; H387-Y390 WeakPolarHBondContact NE2-CE1 3.29Å; H387-Y390 AromaticContact NE2-CZ 3.81Å; L388-Y390 PolarHBondContact O-N 2.88Å
391	R	97.5	Very high	93.7	Very high	47 Å²	47	42 Å²	42	18%	0.177	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135	-34.4	-173.8	177.3	173.7	164.3	-157.5	-8.4	114.2	Y338 L388 A389 D411 H412 C413 D459	Y338-R391 HydrophobicContact CD2-CB 4.07Å; Y338-R391 HydrophobicContact CD2-CG 3.96Å; Y338-R391 HydrophobicContact CG-CG 4.49Å; L388-R391 PolarHBondContact O-N 3.23Å; L388-R391 VanDerWaalsContact O-N 3.09Å; A389-R391 PolarHBondContact O-N 3.14Å; R391-D411 WeakPolarHBondContact CG-OD1 3.45Å; R391-D411 IonicContact CZ-OD1 3.46Å; R391-D411 IonicContact CZ-OD2 2.67Å; R391-D411 IonicContact NE-OD1 2.77Å; R391-D411 PolarHBondContact NE-OD1 2.69Å; R391-D411 IonicContact NE-OD2 3.58Å; R391-D411 IonicContact NH2-OD1 2.98Å; R391-D411 IonicContact NH2-OD2 3.24Å; R391-D411 PolarHBondContact NH2-OD2 2.89Å; R391-H412 WeakPolarHBondContact O-CB 3.36Å; R391-H412 PolarHBondContact O-N 3.26Å; R391-C413 HydrophobicContact CG-CB 4.28Å; R391-D459 IonicContact CZ-OD2 2.85Å; R391-D459 IonicContact NH1-OD2 2.68Å; R391-D459 PolarHBondContact NH1-OD2 2.9Å; R391-D459 IonicContact NH2-OD2 3.39Å
392	Y	98.1	Very high	93.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.8	-174.3	-54.8	-86.5	0	0	0	111.7	H387 L388 V410 D411 V418 I420 D459 F461 V470	H387-Y392 CarbonylContact C-O 3.5Å; H387-Y392 VanDerWaalsContact CA-O 3.25Å; H387-Y392 WeakPolarHBondContact CA-O 3.24Å; L388-Y392 PolarHBondContact N-O 2.93Å; L388-Y392 PolarHBondContact O-N 3.38Å; Y392-V410 CarbonylContact C-O 3.59Å; Y392-V410 VanDerWaalsContact CA-O 3.24Å; Y392-V410 WeakPolarHBondContact CA-O 3.33Å; Y392-D411 HydrophobicContact CD1-CB 3.84Å; Y392-D411 HydrophobicContact CE1-CB 3.7Å; Y392-V418 HydrophobicContact CD1-CG2 4.05Å; Y392-V418 HydrophobicContact CE1-CG2 4.34Å; Y392-I420 HydrophobicContact CD1-CD1 3.69Å; Y392-I420 HydrophobicContact CD2-CD1 4.21Å; Y392-I420 HydrophobicContact CE1-CD1 4.42Å; Y392-I420 HydrophobicContact CG-CD1 3.56Å; Y392-D459 PolarHBondContact OH-OD2 3.06Å; Y392-F461 AromaticContact CD2-CE1 3.8Å; Y392-F461 HydrophobicContact CD2-CE1 3.8Å; Y392-F461 AromaticContact CD2-CZ 3.83Å; Y392-F461 HydrophobicContact CD2-CZ 3.83Å; Y392-F461 HydrophobicContact CE2-CD1 4.16Å; Y392-F461 AromaticContact CE2-CE1 3.37Å; Y392-F461 HydrophobicContact CE2-CE1 3.37Å; Y392-F461 AromaticContact CE2-CZ 3.89Å; Y392-F461 HydrophobicContact CE2-CZ 3.89Å; Y392-V470 HydrophobicContact CE1-CG1 3.98Å; Y392-V470 HydrophobicContact CE1-CG2 4.15Å; Y392-V470 HydrophobicContact CE2-CG2 4.26Å
393	E	97.8	Very high	92.8	Very high	23 Å²	23	42.7 Å²	42.7	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.2	174.8	176.9	173.2	-142.9	0	0	110.4	F339 L395 A409 V410 H412	F339-E393 HydrophobicContact CD1-CB 3.82Å; F339-E393 HydrophobicContact CD1-CG 4.43Å; F339-E393 HydrophobicContact CD2-CB 4.49Å; F339-E393 HydrophobicContact CE1-CB 3.51Å; F339-E393 HydrophobicContact CE1-CG 3.63Å; F339-E393 HydrophobicContact CE2-CB 4.22Å; F339-E393 HydrophobicContact CE2-CG 4.18Å; F339-E393 HydrophobicContact CG-CB 4.31Å; F339-E393 HydrophobicContact CZ-CB 3.73Å; F339-E393 VanDerWaalsContact CZ-CD 3.47Å; F339-E393 HydrophobicContact CZ-CG 3.47Å; F339-E393 VanDerWaalsContact CZ-CG 3.47Å; F339-E393 VanDerWaalsContact CZ-OE1 3.31Å; F339-E393 WeakPolarHBondContact CZ-OE1 3.45Å; E393-L395 HydrophobicContact CG-CD2 4.08Å; E393-L395 PolarHBondContact O-N 2.7Å; E393-A409 CarbonylContact O-C 3.19Å; E393-A409 WeakPolarHBondContact O-CA 3.31Å; E393-A409 WeakPolarHBondContact O-CB 3.48Å; E393-V410 HydrophobicContact CB-CB 4.28Å; E393-V410 HydrophobicContact CB-CG2 4.47Å; E393-V410 PolarHBondContact N-O 3.34Å; E393-V410 PolarHBondContact O-N 3.49Å; E393-H412 IonicContact OE2-NE2 3.07Å
394	V	96.8	Very high	92.7	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	105.5	-177.9	-179.3	0	0	0	0	111	N385 D386 L388 V407	N385-V394 WeakPolarHBondContact CA-O 3.39Å; N385-V394 PolarHBondContact N-O 3.5Å; D386-V394 PolarHBondContact O-N 2.89Å; L388-V394 HydrophobicContact CD1-CG2 3.79Å; L388-V394 HydrophobicContact CD2-CG2 4.2Å; L388-V394 HydrophobicContact CG-CG2 3.65Å; V394-V407 HydrophobicContact CG1-CB 4.14Å; V394-V407 HydrophobicContact CG1-CG1 4.09Å; V394-V407 HydrophobicContact CG1-CG2 4.25Å
395	L	95.9	Very high	92.6	Very high	54 Å²	54	39.6 Å²	39.6	28%	0.283	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-51.9	-176.9	-63	179.6	0	0	0	113.5	E393 H408 V410	E393-L395 HydrophobicContact CG-CD2 4.08Å; E393-L395 PolarHBondContact O-N 2.7Å; L395-H408 WeakPolarHBondContact CB-O 3.25Å; L395-H408 WeakPolarHBondContact CD1-ND1 3.47Å; L395-H408 PolarHBondContact N-O 3.12Å; L395-V410 HydrophobicContact CD1-CG2 3.59Å; L395-V410 HydrophobicContact CD2-CG2 4.16Å; L395-V410 HydrophobicContact CG-CG2 3.98Å
396	K	93.6	Very high	92.6	Very high	116 Å²	116	37.5 Å²	37.5	50%	0.504	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	154.4	-178.2	61.7	172.8	-176.2	178	0	112.4	V407 H408	K396-V407 CarbonylContact O-C 3.56Å; K396-V407 WeakPolarHBondContact O-CA 3.24Å; K396-H408 HydrophobicContact CG-CB 3.65Å; K396-H408 PolarHBondContact N-O 3.39Å; K396-H408 PolarHBondContact O-N 3.38Å
397	P	93.2	Very high	92.6	Very high	90 Å²	90	37.2 Å²	37.2	58%	0.584	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	144.2	164.8	28.2	-34.8	0	0	0	111.5	L382	L382-P397 HydrophobicContact CD1-CB 4.36Å
398	L	91.2	Very high	92.6	Very high	84 Å²	84	38.6 Å²	38.6	44%	0.44	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-31.2	167.5	-68.4	172.9	0	0	0	111.2	V406 H408 A419 L473	L398-V406 HydrophobicContact CB-CB 4.44Å; L398-V406 HydrophobicContact CB-CG1 4.29Å; L398-V406 HydrophobicContact CD1-CG1 4.39Å; L398-V406 PolarHBondContact N-O 2.93Å; L398-H408 HydrophobicContact CD1-CB 3.96Å; L398-H408 HydrophobicContact CD2-CB 4.04Å; L398-H408 HydrophobicContact CG-CB 3.87Å; L398-A419 HydrophobicContact CD1-CB 4.01Å; L398-L473 HydrophobicContact CD1-CD1 3.83Å
399	G	86.3	Confident	92.7	Very high	32 Å²	32	38.6 Å²	38.6	33%	0.33	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	163.1	175.1	0	0	0	0	0	113.3	V406	G399-V406 PolarHBondContact N-O 2.86Å; G399-V406 VanDerWaalsContact N-O 3.16Å; G399-V406 PolarHBondContact O-N 2.89Å
400	K	84.7	Confident	92.7	Very high	128 Å²	128	38.8 Å²	38.8	56%	0.557	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.3	168.1	-172.7	171.9	-171.5	156.7	0	108.3	D375 G404 H405	D375-K400 IonicContact OD2-NZ 2.72Å; D375-K400 PolarHBondContact OD2-NZ 2.77Å; D375-K400 VanDerWaalsContact OD2-NZ 3.12Å; K400-G404 WeakPolarHBondContact CA-O 3.45Å; K400-G404 WeakPolarHBondContact CG-O 3.43Å; K400-H405 VanDerWaalsContact CD-NE2 3.32Å; K400-H405 WeakPolarHBondContact CD-NE2 3.34Å; K400-H405 VanDerWaalsContact CE-NE2 3.27Å; K400-H405 WeakPolarHBondContact CE-NE2 3.18Å; K400-H405 PolarHBondContact NZ-NE2 3.47Å; K400-H405 VanDerWaalsContact NZ-NE2 3.16Å
401	G	79.5	Confident	92.8	Very high	31 Å²	31	38.9 Å²	38.9	32%	0.32	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-174.2	178.5	0	0	0	0	0	111.7	F403 G404	G401-F403 PolarHBondContact O-N 3.08Å; G401-G404 PolarHBondContact N-O 3.5Å; G401-G404 PolarHBondContact O-N 3.39Å; G401-G404 VanDerWaalsContact O-N 3.14Å
402	S	81.8	Confident	92.7	Very high	62 Å²	62	37.2 Å²	37.2	43%	0.434	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.2	176.2	51.4	0	0	0	0	112.7	G404 K424 F429	S402-G404 VanDerWaalsContact C-N 3.31Å; S402-G404 PolarHBondContact O-N 2.97Å; S402-K424 VanDerWaalsContact O-CE 3.26Å; S402-K424 WeakPolarHBondContact O-CE 3.44Å; S402-F429 WeakPolarHBondContact O-CE2 3.17Å; S402-F429 VanDerWaalsContact O-CZ 3.25Å; S402-F429 WeakPolarHBondContact O-CZ 3.34Å
403	F	86	Confident	92.5	Very high	42 Å²	42	38.8 Å²	38.8	18%	0.184	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-17.4	178.9	61.3	-102.6	0	0	0	114.7	G401 V406 K421 V423 K424 F429	G401-F403 PolarHBondContact O-N 3.08Å; F403-V406 HydrophobicContact CE2-CG2 3.78Å; F403-V406 HydrophobicContact CZ-CG2 3.87Å; F403-K421 HydrophobicContact CD2-CG 4.11Å; F403-K421 HydrophobicContact CE2-CD 4.44Å; F403-K421 HydrophobicContact CE2-CG 3.95Å; F403-V423 WeakPolarHBondContact O-CA 3.43Å; F403-K424 PolarHBondContact O-N 3.27Å; F403-F429 HydrophobicContact CB-CD1 4.4Å
404	G	90.8	Very high	92.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.2	-135.3	-171	0	0	0	0	0	112.9	K400 G401 S402	K400-G404 WeakPolarHBondContact CA-O 3.45Å; K400-G404 WeakPolarHBondContact CG-O 3.43Å; G401-G404 PolarHBondContact N-O 3.5Å; G401-G404 PolarHBondContact O-N 3.39Å; G401-G404 VanDerWaalsContact O-N 3.14Å; S402-G404 VanDerWaalsContact C-N 3.31Å; S402-G404 PolarHBondContact O-N 2.97Å
405	H	91.3	Very high	92.3	Very high	18 Å²	18	44.4 Å²	44.4	8%	0.083	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.9	-173.5	-60.3	108.8	0	0	0	112.1	Y380 L382 K400 K421 I422	Y380-H405 PolarHBondContact O-CE1 2.93Å; Y380-H405 PolarHBondContact O-ND1 3.44Å; L382-H405 HydrophobicContact CD1-CB 4.19Å; K400-H405 VanDerWaalsContact CD-NE2 3.32Å; K400-H405 WeakPolarHBondContact CD-NE2 3.34Å; K400-H405 VanDerWaalsContact CE-NE2 3.27Å; K400-H405 WeakPolarHBondContact CE-NE2 3.18Å; K400-H405 PolarHBondContact NZ-NE2 3.47Å; K400-H405 VanDerWaalsContact NZ-NE2 3.16Å; H405-K421 CarbonylContact O-C 3.52Å; H405-K421 WeakPolarHBondContact O-CA 3.4Å; H405-I422 PolarHBondContact N-O 2.98Å; H405-I422 PolarHBondContact O-N 2.85Å
406	V	95.9	Very high	92.2	Very high	32 Å²	32	46.7 Å²	46.7	19%	0.194	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.6	161.5	-171.6	0	0	0	0	108.3	L398 G399 F403 A419 I420 K421	L398-V406 HydrophobicContact CB-CB 4.44Å; L398-V406 HydrophobicContact CB-CG1 4.29Å; L398-V406 HydrophobicContact CD1-CG1 4.39Å; L398-V406 PolarHBondContact N-O 2.93Å; G399-V406 PolarHBondContact N-O 2.86Å; G399-V406 VanDerWaalsContact N-O 3.16Å; G399-V406 PolarHBondContact O-N 2.89Å; F403-V406 HydrophobicContact CE2-CG2 3.78Å; F403-V406 HydrophobicContact CZ-CG2 3.87Å; V406-A419 HydrophobicContact CG1-CB 4.35Å; V406-I420 CarbonylContact C-O 3.6Å; V406-I420 VanDerWaalsContact CA-O 3.31Å; V406-I420 WeakPolarHBondContact CA-O 3.34Å; V406-K421 HydrophobicContact CG2-CB 4.33Å; V406-K421 HydrophobicContact CG2-CG 4.22Å
407	V	97	Very high	92.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.3	179.2	-61	0	0	0	0	112.5	L382 V394 K396 A419 I420 I422	L382-V407 HydrophobicContact CD1-CG1 3.57Å; L382-V407 HydrophobicContact CD2-CG1 3.61Å; L382-V407 HydrophobicContact CG-CG1 4.24Å; V394-V407 HydrophobicContact CG1-CB 4.14Å; V394-V407 HydrophobicContact CG1-CG1 4.09Å; V394-V407 HydrophobicContact CG1-CG2 4.25Å; K396-V407 CarbonylContact O-C 3.56Å; K396-V407 WeakPolarHBondContact O-CA 3.24Å; V407-A419 CarbonylContact O-C 3.49Å; V407-A419 WeakPolarHBondContact O-CA 3.17Å; V407-I420 HydrophobicContact CG2-CB 3.9Å; V407-I420 PolarHBondContact N-O 2.84Å; V407-I420 PolarHBondContact O-N 3.48Å; V407-I422 HydrophobicContact CG1-CD1 4.49Å; V407-I422 HydrophobicContact CG2-CD1 4.16Å
408	H	97.2	Very high	92.6	Very high	30 Å²	30	40.7 Å²	40.7	14%	0.139	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.3	163.4	-178.2	-120.1	0	0	0	108.1	L395 K396 L398 Q417 L473	L395-H408 WeakPolarHBondContact CB-O 3.25Å; L395-H408 WeakPolarHBondContact CD1-ND1 3.47Å; L395-H408 PolarHBondContact N-O 3.12Å; K396-H408 HydrophobicContact CG-CB 3.65Å; K396-H408 PolarHBondContact N-O 3.39Å; K396-H408 PolarHBondContact O-N 3.38Å; L398-H408 HydrophobicContact CD1-CB 3.96Å; L398-H408 HydrophobicContact CD2-CB 4.04Å; L398-H408 HydrophobicContact CG-CB 3.87Å; H408-Q417 PolarHBondContact CE1-OE1 2.81Å; H408-Q417 VanDerWaalsContact CE1-OE1 3.23Å; H408-Q417 PolarHBondContact NE2-OE1 3.4Å; H408-L473 WeakPolarHBondContact CD2-CD2 3.24Å; H408-L473 VanDerWaalsContact NE2-CD2 3.27Å; H408-L473 WeakPolarHBondContact NE2-CD2 3.33Å
409	A	98	Very high	93	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.2	-177.5	0	0	0	0	0	112.7	E393 V418 I420	E393-A409 CarbonylContact O-C 3.19Å; E393-A409 WeakPolarHBondContact O-CA 3.31Å; E393-A409 WeakPolarHBondContact O-CB 3.48Å; A409-V418 HydrophobicContact CB-CG2 4.16Å; A409-V418 PolarHBondContact N-O 3.04Å; A409-V418 WeakPolarHBondContact O-CG2 3.38Å; A409-V418 PolarHBondContact O-N 2.92Å; A409-I420 HydrophobicContact CB-CD1 3.66Å; A409-I420 HydrophobicContact CB-CG1 4.12Å
410	V	97.8	Very high	93.5	Very high	18 Å²	18	35.7 Å²	35.7	11%	0.109	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.8	169.7	-164.1	0	0	0	0	109.2	Y392 E393 L395 H412	Y392-V410 CarbonylContact C-O 3.59Å; Y392-V410 VanDerWaalsContact CA-O 3.24Å; Y392-V410 WeakPolarHBondContact CA-O 3.33Å; E393-V410 HydrophobicContact CB-CB 4.28Å; E393-V410 HydrophobicContact CB-CG2 4.47Å; E393-V410 PolarHBondContact N-O 3.34Å; E393-V410 PolarHBondContact O-N 3.49Å; L395-V410 HydrophobicContact CD1-CG2 3.59Å; L395-V410 HydrophobicContact CD2-CG2 4.16Å; L395-V410 HydrophobicContact CG-CG2 3.98Å; V410-H412 PolarHBondContact O-N 3.33Å
411	D	97.6	Very high	94.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	109.4	164.2	177.5	5	0	0	0	109.5	R391 Y392 C413 T414 K415 K416	R391-D411 WeakPolarHBondContact CG-OD1 3.45Å; R391-D411 IonicContact CZ-OD1 3.46Å; R391-D411 IonicContact CZ-OD2 2.67Å; R391-D411 IonicContact NE-OD1 2.77Å; R391-D411 PolarHBondContact NE-OD1 2.69Å; R391-D411 IonicContact NE-OD2 3.58Å; R391-D411 IonicContact NH2-OD1 2.98Å; R391-D411 IonicContact NH2-OD2 3.24Å; R391-D411 PolarHBondContact NH2-OD2 2.89Å; Y392-D411 HydrophobicContact CD1-CB 3.84Å; Y392-D411 HydrophobicContact CE1-CB 3.7Å; D411-C413 PolarHBondContact O-N 3.25Å; D411-C413 VanDerWaalsContact OD1-CB 3.27Å; D411-C413 WeakPolarHBondContact OD1-CB 3.5Å; D411-C413 PolarHBondContact OD1-N 3.15Å; D411-T414 VanDerWaalsContact CG-OG1 3.29Å; D411-T414 PolarHBondContact OD1-N 3.39Å; D411-T414 WeakPolarHBondContact OD2-CB 3.43Å; D411-T414 VanDerWaalsContact OD2-CG2 3.31Å; D411-T414 WeakPolarHBondContact OD2-CG2 3.39Å; D411-T414 PolarHBondContact OD2-N 2.86Å; D411-T414 PolarHBondContact OD2-OG1 3.18Å; D411-K415 WeakPolarHBondContact O-CA 3.35Å; D411-K415 PolarHBondContact O-N 2.97Å; D411-K416 PolarHBondContact N-O 3.34Å
412	H	96	Very high	95	Very high	13 Å²	13	28.7 Å²	28.7	6%	0.06	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.1	179.7	-80.7	-109.2	0	0	0	114.5	F339 R391 E393 V410 K415	F339-H412 HydrophobicContact CB-CB 3.97Å; F339-H412 AromaticContact CD2-CE1 3.97Å; F339-H412 AromaticContact CD2-ND1 3.85Å; F339-H412 AromaticContact CD2-NE2 3.77Å; F339-H412 AromaticContact CE2-NE2 3.92Å; F339-H412 AromaticContact CG-CD2 3.97Å; R391-H412 WeakPolarHBondContact O-CB 3.36Å; R391-H412 PolarHBondContact O-N 3.26Å; E393-H412 IonicContact OE2-NE2 3.07Å; V410-H412 PolarHBondContact O-N 3.33Å; H412-K415 PolarHBondContact CE1-NZ 2.97Å; H412-K415 VanDerWaalsContact CE1-NZ 3.34Å; H412-K415 VanDerWaalsContact O-CE 3.29Å; H412-K415 WeakPolarHBondContact O-CE 3.45Å; H412-K415 PolarHBondContact O-NZ 2.98Å
413	C	94.5	Very high	95.7	Very high	35 Å²	35	26 Å²	26	24%	0.236	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-61.7	167	178.9	0	0	0	0	109.9	S307 Y338 R391 D411 K415	S307-C413 PolarHBondContact OG-O 3.18Å; S307-C413 VanDerWaalsContact OG-O 3.12Å; Y338-C413 HydrophobicContact CD1-CB 3.8Å; Y338-C413 HydrophobicContact CD2-CB 4.31Å; Y338-C413 HydrophobicContact CE1-CB 3.57Å; Y338-C413 HydrophobicContact CE2-CB 4.12Å; Y338-C413 HydrophobicContact CG-CB 4.16Å; R391-C413 HydrophobicContact CG-CB 4.28Å; D411-C413 PolarHBondContact O-N 3.25Å; D411-C413 VanDerWaalsContact OD1-CB 3.27Å; D411-C413 WeakPolarHBondContact OD1-CB 3.5Å; D411-C413 PolarHBondContact OD1-N 3.15Å; C413-K415 PolarHBondContact O-N 3.46Å
414	T	94.3	Very high	96.1	Very high	41 Å²	41	25.1 Å²	25.1	25%	0.252	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.4	-174.1	67	0	0	0	0	115.3	D411 K416	D411-T414 VanDerWaalsContact CG-OG1 3.29Å; D411-T414 PolarHBondContact OD1-N 3.39Å; D411-T414 WeakPolarHBondContact OD2-CB 3.43Å; D411-T414 VanDerWaalsContact OD2-CG2 3.31Å; D411-T414 WeakPolarHBondContact OD2-CG2 3.39Å; D411-T414 PolarHBondContact OD2-N 2.86Å; D411-T414 PolarHBondContact OD2-OG1 3.18Å; T414-K416 PolarHBondContact O-N 3.49Å
415	K	94.6	Very high	96.2	Very high	106 Å²	106	26.5 Å²	26.5	46%	0.461	14%	0.136	S	C	.	.			trans	55.7	21.6	-172.2	-53.6	-50.8	-171.5	-166.5	0	114.8	D411 H412 C413	D411-K415 WeakPolarHBondContact O-CA 3.35Å; D411-K415 PolarHBondContact O-N 2.97Å; H412-K415 PolarHBondContact CE1-NZ 2.97Å; H412-K415 VanDerWaalsContact CE1-NZ 3.34Å; H412-K415 VanDerWaalsContact O-CE 3.29Å; H412-K415 WeakPolarHBondContact O-CE 3.45Å; H412-K415 PolarHBondContact O-NZ 2.98Å; C413-K415 PolarHBondContact O-N 3.46Å
416	K	95.6	Very high	96.2	Very high	101 Å²	101	28.8 Å²	28.8	44%	0.439	15%	0.146	S	C	.	.			trans	-93.2	147.9	179.1	-67	170.9	-172	167.6	0	111.6	Y304 D411 T414	Y304-K416 PolarHBondContact OH-NZ 2.89Å; D411-K416 PolarHBondContact N-O 3.34Å; T414-K416 PolarHBondContact O-N 3.49Å
417	Q	97.2	Very high	95.9	Very high	74 Å²	74	29.9 Å²	29.9	35%	0.346	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.9	165.1	-58.1	-65	-23.2	0	0	109.4	H408 L473	H408-Q417 PolarHBondContact CE1-OE1 2.81Å; H408-Q417 VanDerWaalsContact CE1-OE1 3.23Å; H408-Q417 PolarHBondContact NE2-OE1 3.4Å; Q417-L473 HydrophobicContact CB-CD2 3.93Å
418	V	98	Very high	95.6	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	161.5	-176.1	-67.3	0	0	0	0	111.3	Y392 A409 I420 V470 F471	Y392-V418 HydrophobicContact CD1-CG2 4.05Å; Y392-V418 HydrophobicContact CE1-CG2 4.34Å; A409-V418 HydrophobicContact CB-CG2 4.16Å; A409-V418 PolarHBondContact N-O 3.04Å; A409-V418 WeakPolarHBondContact O-CG2 3.38Å; A409-V418 PolarHBondContact O-N 2.92Å; V418-I420 HydrophobicContact CG2-CD1 4.14Å; V418-I420 HydrophobicContact CG2-CG1 4Å; V418-V470 HydrophobicContact CB-CG1 3.81Å; V418-V470 HydrophobicContact CG1-CG1 3.94Å; V418-V470 HydrophobicContact CG2-CG1 3.94Å; V418-F471 WeakPolarHBondContact CB-O 3.42Å
419	A	98.3	Very high	95.3	Very high	12 Å²	12	33.3 Å²	33.3	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.2	166.6	0	0	0	0	0	109.4	L398 V406 V407 F471 L473	L398-A419 HydrophobicContact CD1-CB 4.01Å; V406-A419 HydrophobicContact CG1-CB 4.35Å; V407-A419 CarbonylContact O-C 3.49Å; V407-A419 WeakPolarHBondContact O-CA 3.17Å; A419-F471 HydrophobicContact CB-CB 4.45Å; A419-F471 PolarHBondContact N-O 2.87Å; A419-F471 PolarHBondContact O-N 2.93Å; A419-L473 HydrophobicContact CB-CD1 4.2Å
420	I	98.1	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.8	-179.1	-52	-178.1	0	0	0	109.7	L388 Y392 V406 V407 A409 V418 I422 C468 M469 V470	L388-I420 HydrophobicContact CD1-CD1 4.13Å; L388-I420 HydrophobicContact CD1-CG2 4.17Å; Y392-I420 HydrophobicContact CD1-CD1 3.69Å; Y392-I420 HydrophobicContact CD2-CD1 4.21Å; Y392-I420 HydrophobicContact CE1-CD1 4.42Å; Y392-I420 HydrophobicContact CG-CD1 3.56Å; V406-I420 CarbonylContact C-O 3.6Å; V406-I420 VanDerWaalsContact CA-O 3.31Å; V406-I420 WeakPolarHBondContact CA-O 3.34Å; V407-I420 HydrophobicContact CG2-CB 3.9Å; V407-I420 PolarHBondContact N-O 2.84Å; V407-I420 PolarHBondContact O-N 3.48Å; A409-I420 HydrophobicContact CB-CD1 3.66Å; A409-I420 HydrophobicContact CB-CG1 4.12Å; V418-I420 HydrophobicContact CG2-CD1 4.14Å; V418-I420 HydrophobicContact CG2-CG1 4Å; I420-I422 HydrophobicContact CG2-CG1 4.08Å; I420-C468 HydrophobicContact CG2-CB 4.25Å; I420-M469 CarbonylContact C-O 3.24Å; I420-M469 VanDerWaalsContact CA-O 3.31Å; I420-M469 WeakPolarHBondContact CA-O 3.23Å; I420-V470 HydrophobicContact CD1-CG2 4.34Å; I420-V470 HydrophobicContact CG1-CG1 4.29Å; I420-V470 HydrophobicContact CG1-CG2 4.18Å; I420-V470 HydrophobicContact CG2-CG2 4.43Å
421	K	97.8	Very high	94.8	Very high	10 Å²	10	42 Å²	42	4%	0.043	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.8	173.1	-172.7	177.8	-172.7	-171.4	0	108	F403 H405 V406 V423 E436 C468 M469 F471 D538	F403-K421 HydrophobicContact CD2-CG 4.11Å; F403-K421 HydrophobicContact CE2-CD 4.44Å; F403-K421 HydrophobicContact CE2-CG 3.95Å; H405-K421 CarbonylContact O-C 3.52Å; H405-K421 WeakPolarHBondContact O-CA 3.4Å; V406-K421 HydrophobicContact CG2-CB 4.33Å; V406-K421 HydrophobicContact CG2-CG 4.22Å; K421-V423 HydrophobicContact CG-CG2 4.34Å; K421-E436 IonicContact NZ-OE1 3.64Å; K421-E436 PolarHBondContact NZ-OE1 2.79Å; K421-E436 IonicContact NZ-OE2 3.78Å; K421-E436 PolarHBondContact NZ-OE2 2.76Å; K421-C468 WeakPolarHBondContact O-CA 3.37Å; K421-M469 HydrophobicContact CB-CB 4.38Å; K421-M469 HydrophobicContact CB-CE 4.5Å; K421-M469 HydrophobicContact CD-CE 3.82Å; K421-M469 HydrophobicContact CG-CE 4.21Å; K421-M469 PolarHBondContact N-O 3.04Å; K421-M469 PolarHBondContact O-N 2.88Å; K421-F471 HydrophobicContact CB-CD2 4.42Å; K421-F471 HydrophobicContact CB-CE2 3.87Å; K421-F471 HydrophobicContact CD-CE2 4.29Å; K421-D538 IonicContact NZ-OD1 2.73Å; K421-D538 PolarHBondContact NZ-OD1 2.87Å
422	I	97.4	Very high	94.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	107.8	180	-52.4	173	0	0	0	107.3	Y380 L382 L388 H405 V407 I420 H466	Y380-I422 HydrophobicContact CD1-CD1 4.41Å; Y380-I422 HydrophobicContact CG-CG2 4.37Å; L382-I422 HydrophobicContact CD2-CD1 3.79Å; L388-I422 HydrophobicContact CD1-CD1 3.69Å; L388-I422 HydrophobicContact CD1-CG1 4.27Å; L388-I422 HydrophobicContact CD2-CD1 4.25Å; H405-I422 PolarHBondContact N-O 2.98Å; H405-I422 PolarHBondContact O-N 2.85Å; V407-I422 HydrophobicContact CG1-CD1 4.49Å; V407-I422 HydrophobicContact CG2-CD1 4.16Å; I420-I422 HydrophobicContact CG2-CG1 4.08Å; I422-H466 HydrophobicContact CG2-CB 3.89Å
423	V	96.2	Very high	94.5	Very high	4 Å²	4	43 Å²	43	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138.5	-173.4	-177.4	0	0	0	0	110.4	F403 K421 F429 A433 H466 V467 M469	F403-V423 WeakPolarHBondContact O-CA 3.43Å; K421-V423 HydrophobicContact CG-CG2 4.34Å; V423-F429 HydrophobicContact CG1-CB 3.6Å; V423-A433 HydrophobicContact CB-CB 4.32Å; V423-A433 HydrophobicContact CG1-CB 4.12Å; V423-A433 HydrophobicContact CG2-CB 3.92Å; V423-H466 WeakPolarHBondContact O-CB 3.15Å; V423-H466 PolarHBondContact O-ND1 3.17Å; V423-V467 HydrophobicContact CB-CB 4.28Å; V423-V467 WeakPolarHBondContact CB-O 3.32Å; V423-V467 WeakPolarHBondContact CG2-O 3.12Å; V423-V467 PolarHBondContact N-O 3.28Å; V423-M469 HydrophobicContact CG2-CE 3.47Å; V423-M469 VanDerWaalsContact CG2-CE 3.47Å
424	K	95	Very high	94.6	Very high	25 Å²	25	44 Å²	44	11%	0.109	22%	0.215	C	C	.	.			trans	-50.3	148.8	176.2	-73.1	-169.8	174.9	-157.7	0	113.8	Q377 S378 S402 F403 E426 F429	Q377-K424 WeakPolarHBondContact O-CD 3.43Å; Q377-K424 WeakPolarHBondContact O-CE 3.31Å; Q377-K424 PolarHBondContact O-NZ 3.34Å; S378-K424 CarbonylContact O-C 3.57Å; S378-K424 WeakPolarHBondContact O-CA 3.24Å; S378-K424 VanDerWaalsContact O-CB 3.24Å; S378-K424 WeakPolarHBondContact O-CB 3.48Å; S378-K424 WeakPolarHBondContact O-CG 3.28Å; S402-K424 VanDerWaalsContact O-CE 3.26Å; S402-K424 WeakPolarHBondContact O-CE 3.44Å; F403-K424 PolarHBondContact O-N 3.27Å; K424-E426 HydrophobicContact CB-CG 4.31Å; K424-E426 HydrophobicContact CD-CG 4.36Å; K424-E426 WeakPolarHBondContact CD-OE1 3.34Å; K424-E426 IonicContact NZ-OE1 3.11Å; K424-E426 PolarHBondContact NZ-OE1 2.91Å; K424-E426 PolarHBondContact O-N 2.87Å; K424-F429 HydrophobicContact CB-CB 4.4Å; K424-F429 HydrophobicContact CB-CD2 3.97Å; K424-F429 HydrophobicContact CB-CG 4.49Å; K424-F429 HydrophobicContact CD-CD2 3.8Å; K424-F429 HydrophobicContact CD-CE2 3.86Å; K424-F429 HydrophobicContact CG-CD2 4.42Å
425	S	92.2	Very high	94.5	Very high	29 Å²	29	44.1 Å²	44.1	20%	0.203	21%	0.212	C	C	.	.	S	Bend	trans	-74.2	22.5	177.8	54.7	0	0	0	0	113.8	D374 S378 H466	D374-S425 WeakPolarHBondContact OD2-CB 3.32Å; D374-S425 PolarHBondContact OD2-OG 2.82Å; S378-S425 WeakPolarHBondContact CB-OG 3.38Å; S378-S425 PolarHBondContact O-N 2.84Å; S378-S425 PolarHBondContact O-OG 3.26Å; S425-H466 PolarHBondContact N-ND1 2.75Å
426	E	91	Very high	94.6	Very high	65 Å²	65	39.2 Å²	39.2	30%	0.304	19%	0.191	S	C	.	.	S	Bend	trans	-95.1	131.3	177.5	-53.8	178.5	-140.4	0	0	111.3	K424 R428 F429 T430	K424-E426 HydrophobicContact CB-CG 4.31Å; K424-E426 HydrophobicContact CD-CG 4.36Å; K424-E426 WeakPolarHBondContact CD-OE1 3.34Å; K424-E426 IonicContact NZ-OE1 3.11Å; K424-E426 PolarHBondContact NZ-OE1 2.91Å; K424-E426 PolarHBondContact O-N 2.87Å; E426-R428 PolarHBondContact O-N 3.01Å; E426-F429 HydrophobicContact CB-CD2 3.94Å; E426-F429 HydrophobicContact CG-CD2 4.16Å; E426-F429 PolarHBondContact O-N 2.85Å; E426-F429 WeakPolarHBondContact OE1-CE2 3.5Å; E426-F429 WeakPolarHBondContact OE2-CE2 3.33Å; E426-T430 PolarHBondContact O-N 3.25Å; E426-T430 PolarHBondContact O-OG1 3.48Å
427	A	90.3	Very high	94.7	Very high	55 Å²	55	35.1 Å²	35.1	46%	0.455	17%	0.174	S	C	.	.	H	α-helix	trans	-60	-8.6	-178.7	0	0	0	0	0	115.9	R431	A427-R431 PolarHBondContact O-NE 2.89Å; A427-R431 PolarHBondContact O-NH2 2.82Å
428	R	90.2	Very high	94.7	Very high	78 Å²	78	36.7 Å²	36.7	29%	0.294	18%	0.176	S	C	.	.	H	α-helix	trans	-78.8	-56	167	-177.5	-177.9	176.3	-163	-1.6	110.7	E426 T430 R431 Q432	E426-R428 PolarHBondContact O-N 3.01Å; R428-T430 VanDerWaalsContact C-N 3.33Å; R428-T430 PolarHBondContact O-N 2.91Å; R428-R431 PolarHBondContact O-N 2.78Å; R428-Q432 PolarHBondContact O-N 2.95Å; R428-Q432 VanDerWaalsContact O-N 3.15Å
429	F	91.8	Very high	94.7	Very high	24 Å²	24	36.4 Å²	36.4	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-35.2	-178.5	-63.3	-61.9	0	0	0	111.9	S402 F403 V423 K424 E426 R431 Q432 A433	S402-F429 WeakPolarHBondContact O-CE2 3.17Å; S402-F429 VanDerWaalsContact O-CZ 3.25Å; S402-F429 WeakPolarHBondContact O-CZ 3.34Å; F403-F429 HydrophobicContact CB-CD1 4.4Å; V423-F429 HydrophobicContact CG1-CB 3.6Å; K424-F429 HydrophobicContact CB-CB 4.4Å; K424-F429 HydrophobicContact CB-CD2 3.97Å; K424-F429 HydrophobicContact CB-CG 4.49Å; K424-F429 HydrophobicContact CD-CD2 3.8Å; K424-F429 HydrophobicContact CD-CE2 3.86Å; K424-F429 HydrophobicContact CG-CD2 4.42Å; E426-F429 HydrophobicContact CB-CD2 3.94Å; E426-F429 HydrophobicContact CG-CD2 4.16Å; E426-F429 PolarHBondContact O-N 2.85Å; E426-F429 WeakPolarHBondContact OE1-CE2 3.5Å; E426-F429 WeakPolarHBondContact OE2-CE2 3.33Å; F429-R431 VanDerWaalsContact C-N 3.34Å; F429-R431 PolarHBondContact O-N 3.19Å; F429-Q432 PolarHBondContact O-N 3.42Å; F429-A433 WeakPolarHBondContact O-CB 3.5Å; F429-A433 PolarHBondContact O-N 3.48Å
430	T	92.9	Very high	94.6	Very high	26 Å²	26	35.8 Å²	35.8	16%	0.16	17%	0.17	C	C	.	.	H	α-helix	trans	-55.2	-45.5	170.6	-53.2	0	0	0	0	112.1	E426 R428 A433 V434 V467	E426-T430 PolarHBondContact O-N 3.25Å; E426-T430 PolarHBondContact O-OG1 3.48Å; R428-T430 VanDerWaalsContact C-N 3.33Å; R428-T430 PolarHBondContact O-N 2.91Å; T430-A433 PolarHBondContact O-N 3.46Å; T430-V434 VanDerWaalsContact O-CG2 3.3Å; T430-V434 WeakPolarHBondContact O-CG2 3.33Å; T430-V434 PolarHBondContact O-N 2.84Å; T430-V467 HydrophobicContact CG2-CG2 3.92Å
431	R	92.3	Very high	94.5	Very high	176 Å²	176	40.8 Å²	40.8	66%	0.664	19%	0.192	S	C	*	.	H	α-helix	trans	-66.9	-40.4	178.4	-82.9	178.9	-74.1	-173.3	-4.4	112.4	A427 R428 F429 A433 V434 E435	A427-R431 PolarHBondContact O-NE 2.89Å; A427-R431 PolarHBondContact O-NH2 2.82Å; R428-R431 PolarHBondContact O-N 2.78Å; F429-R431 VanDerWaalsContact C-N 3.34Å; F429-R431 PolarHBondContact O-N 3.19Å; R431-A433 VanDerWaalsContact C-N 3.33Å; R431-A433 PolarHBondContact O-N 3.13Å; R431-V434 PolarHBondContact O-N 2.86Å; R431-E435 PolarHBondContact O-N 2.89Å; R431-E435 VanDerWaalsContact O-N 3.12Å
432	Q	91.8	Very high	94.4	Very high	32 Å²	32	41.9 Å²	41.9	15%	0.15	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-39.9	174.1	-70.4	-176.2	-105.6	0	0	112	R428 F429 E435 E436 G540	R428-Q432 PolarHBondContact O-N 2.95Å; R428-Q432 VanDerWaalsContact O-N 3.15Å; F429-Q432 PolarHBondContact O-N 3.42Å; Q432-E435 PolarHBondContact O-N 2.91Å; Q432-E436 WeakPolarHBondContact O-CB 3.13Å; Q432-E436 PolarHBondContact O-N 2.89Å; Q432-G540 PolarHBondContact NE2-O 3.05Å
433	A	95.8	Very high	94.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-38.6	177.1	0	0	0	0	0	113.3	V423 F429 T430 R431 E435 E436 I437 V467 M469	V423-A433 HydrophobicContact CB-CB 4.32Å; V423-A433 HydrophobicContact CG1-CB 4.12Å; V423-A433 HydrophobicContact CG2-CB 3.92Å; F429-A433 WeakPolarHBondContact O-CB 3.5Å; F429-A433 PolarHBondContact O-N 3.48Å; T430-A433 PolarHBondContact O-N 3.46Å; R431-A433 VanDerWaalsContact C-N 3.33Å; R431-A433 PolarHBondContact O-N 3.13Å; A433-E435 VanDerWaalsContact C-N 3.32Å; A433-E436 PolarHBondContact O-N 3.04Å; A433-I437 WeakPolarHBondContact O-CB 3.46Å; A433-I437 WeakPolarHBondContact O-CD1 3.32Å; A433-I437 WeakPolarHBondContact O-CG1 3.38Å; A433-I437 PolarHBondContact O-N 3.35Å; A433-V467 HydrophobicContact CB-CB 4.11Å; A433-V467 HydrophobicContact CB-CG1 3.87Å; A433-M469 HydrophobicContact CB-CE 3.83Å
434	V	95	Very high	94.2	Very high	57 Å²	57	42.8 Å²	42.8	35%	0.345	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-40	175.3	172.1	0	0	0	0	111.1	L202 T430 R431 I437 R438	L202-V434 HydrophobicContact CD2-CG1 4.33Å; L202-V434 HydrophobicContact CD2-CG2 3.43Å; L202-V434 VanDerWaalsContact CD2-CG2 3.43Å; T430-V434 VanDerWaalsContact O-CG2 3.3Å; T430-V434 WeakPolarHBondContact O-CG2 3.33Å; T430-V434 PolarHBondContact O-N 2.84Å; R431-V434 PolarHBondContact O-N 2.86Å; V434-I437 PolarHBondContact O-N 2.84Å; V434-R438 PolarHBondContact O-N 2.89Å
435	E	93.7	Very high	94	Very high	43 Å²	43	45 Å²	45	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-69.3	-43	176.3	-178.2	58.9	-172.3	0	0	112.3	R431 Q432 A433 I437 R438 I439	R431-E435 PolarHBondContact O-N 2.89Å; R431-E435 VanDerWaalsContact O-N 3.12Å; Q432-E435 PolarHBondContact O-N 2.91Å; A433-E435 VanDerWaalsContact C-N 3.32Å; E435-I437 VanDerWaalsContact C-N 3.31Å; E435-I437 PolarHBondContact O-N 3.21Å; E435-R438 WeakPolarHBondContact O-CB 3.41Å; E435-R438 PolarHBondContact O-N 3.26Å; E435-R438 VanDerWaalsContact O-N 3.08Å; E435-R438 IonicContact OE1-CZ 3.95Å; E435-R438 IonicContact OE1-NE 3.61Å; E435-R438 IonicContact OE1-NH2 2.76Å; E435-R438 PolarHBondContact OE1-NH2 2.84Å; E435-R438 IonicContact OE2-CZ 3.89Å; E435-R438 VanDerWaalsContact OE2-CZ 3.27Å; E435-R438 IonicContact OE2-NE 3.13Å; E435-R438 PolarHBondContact OE2-NE 2.89Å; E435-R438 IonicContact OE2-NH2 3.71Å; E435-R438 PolarHBondContact OE2-NH2 2.85Å; E435-I439 HydrophobicContact CG-CD1 4.02Å; E435-I439 WeakPolarHBondContact O-CG1 3.25Å; E435-I439 PolarHBondContact O-N 2.84Å
436	E	96.9	Very high	93.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.019	25%	0.25	C	S	.	.	H	α-helix	trans	-55.1	-45.5	171.3	176.3	166.2	-155	0	0	111.3	K421 Q432 A433 R438 I439 L440 M469 F539 G540	K421-E436 IonicContact NZ-OE1 3.64Å; K421-E436 PolarHBondContact NZ-OE1 2.79Å; K421-E436 IonicContact NZ-OE2 3.78Å; K421-E436 PolarHBondContact NZ-OE2 2.76Å; Q432-E436 WeakPolarHBondContact O-CB 3.13Å; Q432-E436 PolarHBondContact O-N 2.89Å; A433-E436 PolarHBondContact O-N 3.04Å; E436-R438 PolarHBondContact O-N 3.08Å; E436-I439 PolarHBondContact O-N 3.02Å; E436-L440 HydrophobicContact CG-CD1 3.65Å; E436-L440 HydrophobicContact CG-CG 4.48Å; E436-L440 VanDerWaalsContact O-CB 3.25Å; E436-L440 WeakPolarHBondContact O-CB 3.49Å; E436-L440 WeakPolarHBondContact O-CD1 3.23Å; E436-L440 VanDerWaalsContact O-CG 3.23Å; E436-L440 WeakPolarHBondContact O-CG 3.42Å; E436-L440 PolarHBondContact O-N 2.98Å; E436-M469 HydrophobicContact CB-SD 4.41Å; E436-M469 HydrophobicContact CG-SD 3.9Å; E436-M469 WeakPolarHBondContact OE2-CE 3.42Å; E436-F539 HydrophobicContact CG-CB 4.02Å; E436-F539 PolarHBondContact OE1-N 3.14Å; E436-G540 VanDerWaalsContact CD-N 3.34Å; E436-G540 PolarHBondContact OE1-N 3.34Å; E436-G540 WeakPolarHBondContact OE2-CA 3.34Å
437	I	97.7	Very high	93.3	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.072	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-40.7	174.6	-70.7	161.5	0	0	0	111.7	A433 V434 E435 K441 L457 H460 V467 M469	A433-I437 WeakPolarHBondContact O-CB 3.46Å; A433-I437 WeakPolarHBondContact O-CD1 3.32Å; A433-I437 WeakPolarHBondContact O-CG1 3.38Å; A433-I437 PolarHBondContact O-N 3.35Å; V434-I437 PolarHBondContact O-N 2.84Å; E435-I437 VanDerWaalsContact C-N 3.31Å; E435-I437 PolarHBondContact O-N 3.21Å; I437-K441 HydrophobicContact CG2-CD 3.98Å; I437-K441 HydrophobicContact CG2-CG 4.5Å; I437-K441 WeakPolarHBondContact O-CB 3.31Å; I437-K441 VanDerWaalsContact O-CG 3.26Å; I437-K441 WeakPolarHBondContact O-CG 3.15Å; I437-K441 PolarHBondContact O-N 3.36Å; I437-L457 HydrophobicContact CB-CD2 4.48Å; I437-L457 HydrophobicContact CG1-CD2 4.29Å; I437-L457 HydrophobicContact CG2-CD2 4.28Å; I437-H460 HydrophobicContact CD1-CB 3.91Å; I437-H460 HydrophobicContact CG1-CB 4.22Å; I437-V467 HydrophobicContact CD1-CG1 3.87Å; I437-M469 HydrophobicContact CD1-CG 3.78Å; I437-M469 HydrophobicContact CD1-SD 4.09Å; I437-M469 HydrophobicContact CG1-CG 3.68Å; I437-M469 HydrophobicContact CG1-SD 3.64Å
438	R	96.8	Very high	92.7	Very high	107 Å²	107	49.9 Å²	49.9	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-50.4	178	-176.1	176.5	71.7	124.4	-10.3	111.1	V434 E435 E436 A442 E547	V434-R438 PolarHBondContact O-N 2.89Å; E435-R438 WeakPolarHBondContact O-CB 3.41Å; E435-R438 PolarHBondContact O-N 3.26Å; E435-R438 VanDerWaalsContact O-N 3.08Å; E435-R438 IonicContact OE1-CZ 3.95Å; E435-R438 IonicContact OE1-NE 3.61Å; E435-R438 IonicContact OE1-NH2 2.76Å; E435-R438 PolarHBondContact OE1-NH2 2.84Å; E435-R438 IonicContact OE2-CZ 3.89Å; E435-R438 VanDerWaalsContact OE2-CZ 3.27Å; E435-R438 IonicContact OE2-NE 3.13Å; E435-R438 PolarHBondContact OE2-NE 2.89Å; E435-R438 IonicContact OE2-NH2 3.71Å; E435-R438 PolarHBondContact OE2-NH2 2.85Å; E436-R438 PolarHBondContact O-N 3.08Å; R438-A442 PolarHBondContact O-N 2.87Å; R438-E547 IonicContact CZ-OE2 2.68Å; R438-E547 IonicContact NH1-OE2 3.29Å; R438-E547 IonicContact NH2-OE2 3.07Å; R438-E547 PolarHBondContact NH2-OE2 3.28Å
439	I	97.1	Very high	91.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-50.1	179.1	-69.9	171.7	0	0	0	110.4	E435 E436 K441 A442 L443 V514 F539 Y544	E435-I439 HydrophobicContact CG-CD1 4.02Å; E435-I439 WeakPolarHBondContact O-CG1 3.25Å; E435-I439 PolarHBondContact O-N 2.84Å; E436-I439 PolarHBondContact O-N 3.02Å; I439-K441 PolarHBondContact O-N 2.9Å; I439-A442 PolarHBondContact O-N 2.8Å; I439-L443 HydrophobicContact CG2-CD1 3.56Å; I439-L443 HydrophobicContact CG2-CG 4.24Å; I439-L443 WeakPolarHBondContact O-CG 3.46Å; I439-L443 PolarHBondContact O-N 3.15Å; I439-V514 HydrophobicContact CD1-CG1 4.48Å; I439-V514 HydrophobicContact CG2-CG1 3.93Å; I439-V514 HydrophobicContact CG2-CG2 4.41Å; I439-F539 HydrophobicContact CG2-CD1 3.96Å; I439-Y544 HydrophobicContact CD1-CE2 4.38Å; I439-Y544 HydrophobicContact CG1-CD2 4.41Å; I439-Y544 HydrophobicContact CG1-CE2 3.68Å
440	L	96.8	Very high	90.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-41.2	-178.6	-75.4	166.3	0	0	0	112.9	E436 A442 L443 N444 V454 V455 L457 F471 F539	E436-L440 HydrophobicContact CG-CD1 3.65Å; E436-L440 HydrophobicContact CG-CG 4.48Å; E436-L440 VanDerWaalsContact O-CB 3.25Å; E436-L440 WeakPolarHBondContact O-CB 3.49Å; E436-L440 WeakPolarHBondContact O-CD1 3.23Å; E436-L440 VanDerWaalsContact O-CG 3.23Å; E436-L440 WeakPolarHBondContact O-CG 3.42Å; E436-L440 PolarHBondContact O-N 2.98Å; L440-A442 PolarHBondContact O-N 3.16Å; L440-L443 PolarHBondContact O-N 3.03Å; L440-N444 WeakPolarHBondContact O-CB 3.35Å; L440-N444 VanDerWaalsContact O-CG 3.26Å; L440-N444 PolarHBondContact O-N 2.75Å; L440-N444 PolarHBondContact O-ND2 2.67Å; L440-V454 HydrophobicContact CD2-CG1 4.13Å; L440-V455 HydrophobicContact CD2-CG1 3.94Å; L440-L457 HydrophobicContact CB-CB 4.18Å; L440-L457 HydrophobicContact CB-CD2 4.09Å; L440-L457 HydrophobicContact CD1-CB 4.4Å; L440-L457 HydrophobicContact CD1-CD2 4.47Å; L440-F471 HydrophobicContact CD1-CE1 3.68Å; L440-F471 HydrophobicContact CD1-CZ 3.97Å; L440-F539 HydrophobicContact CD2-CD2 3.71Å; L440-F539 HydrophobicContact CD2-CE2 4.14Å; L440-F539 HydrophobicContact CD2-CG 4.12Å; L440-F539 HydrophobicContact CG-CB 4.33Å; L440-F539 HydrophobicContact CG-CD2 4.43Å; L440-F539 HydrophobicContact CG-CG 4.43Å
441	K	96	Very high	90.5	Very high	104 Å²	104	53.6 Å²	53.6	45%	0.452	28%	0.278	S	S	.	.	H	α-helix	trans	-59.8	-44.8	174.4	-78.1	173.4	179.8	172.3	0	111.8	I437 I439 G445 L457 H460	I437-K441 HydrophobicContact CG2-CD 3.98Å; I437-K441 HydrophobicContact CG2-CG 4.5Å; I437-K441 WeakPolarHBondContact O-CB 3.31Å; I437-K441 VanDerWaalsContact O-CG 3.26Å; I437-K441 WeakPolarHBondContact O-CG 3.15Å; I437-K441 PolarHBondContact O-N 3.36Å; I439-K441 PolarHBondContact O-N 2.9Å; K441-G445 PolarHBondContact O-N 2.97Å; K441-L457 HydrophobicContact CG-CD2 4.39Å; K441-H460 VanDerWaalsContact CE-CE1 3.5Å; K441-H460 WeakPolarHBondContact CE-CE1 3.05Å; K441-H460 PolarHBondContact NZ-CE1 3.32Å; K441-H460 VanDerWaalsContact NZ-CE1 3.25Å; K441-H460 PolarHBondContact NZ-NE2 3.48Å
442	A	95.1	Very high	90.6	Very high	34 Å²	34	46.4 Å²	46.4	28%	0.281	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-46.3	178.3	0	0	0	0	0	112.1	R438 I439 L440 G445 Q446	R438-A442 PolarHBondContact O-N 2.87Å; I439-A442 PolarHBondContact O-N 2.8Å; L440-A442 PolarHBondContact O-N 3.16Å; A442-G445 PolarHBondContact O-N 3.4Å; A442-Q446 WeakPolarHBondContact O-CG 3.24Å
443	L	95.8	Very high	90.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-38.1	-179.3	-65.3	172.6	0	0	0	113.1	I439 L440 Q447 L508 L509 N512 F539	I439-L443 HydrophobicContact CG2-CD1 3.56Å; I439-L443 HydrophobicContact CG2-CG 4.24Å; I439-L443 WeakPolarHBondContact O-CG 3.46Å; I439-L443 PolarHBondContact O-N 3.15Å; L440-L443 PolarHBondContact O-N 3.03Å; L443-Q447 PolarHBondContact O-NE2 2.68Å; L443-L508 HydrophobicContact CB-CD2 4.26Å; L443-L508 HydrophobicContact CD2-CD2 4.03Å; L443-L508 HydrophobicContact CD2-CG 3.97Å; L443-L509 HydrophobicContact CD1-CD2 3.41Å; L443-L509 VanDerWaalsContact CD1-CD2 3.41Å; L443-L509 HydrophobicContact CD2-CD2 3.84Å; L443-L509 HydrophobicContact CG-CD2 4.29Å; L443-N512 HydrophobicContact CD2-CB 4.08Å; L443-F539 HydrophobicContact CD1-CD1 4.29Å; L443-F539 HydrophobicContact CD1-CE1 3.8Å; L443-F539 HydrophobicContact CD1-CZ 4.36Å
444	N	94.6	Very high	90.9	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-34.2	176.5	-75.7	-165.5	0	0	0	111.6	L440 Q446 Q447 V455 H456 L457	L440-N444 WeakPolarHBondContact O-CB 3.35Å; L440-N444 VanDerWaalsContact O-CG 3.26Å; L440-N444 PolarHBondContact O-N 2.75Å; L440-N444 PolarHBondContact O-ND2 2.67Å; N444-Q446 PolarHBondContact O-N 2.77Å; N444-Q447 PolarHBondContact O-N 3.27Å; N444-V455 PolarHBondContact ND2-O 2.82Å; N444-V455 VanDerWaalsContact ND2-O 3.13Å; N444-H456 WeakPolarHBondContact OD1-CA 3.47Å; N444-H456 PolarHBondContact OD1-ND1 2.7Å; N444-L457 PolarHBondContact OD1-N 2.9Å
445	G	90.9	Very high	90.9	Very high	70 Å²	70	43.3 Å²	43.3	72%	0.722	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.4	178.1	0	0	0	0	0	115.4	K441 A442	K441-G445 PolarHBondContact O-N 2.97Å; A442-G445 PolarHBondContact O-N 3.4Å
446	Q	86.5	Confident	91	Very high	105 Å²	105	45.1 Å²	45.1	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-1.3	-179.6	-69.9	179.6	17.4	0	0	114.5	A442 N444 N512	A442-Q446 WeakPolarHBondContact O-CG 3.24Å; N444-Q446 PolarHBondContact O-N 2.77Å; Q446-N512 PolarHBondContact NE2-OD1 3.4Å; Q446-N512 PolarHBondContact OE1-ND2 3.18Å; Q446-N512 PolarHBondContact OE1-OD1 3.02Å
447	Q	81	Confident	91	Very high	27 Å²	27	45.8 Å²	45.8	13%	0.126	25%	0.246	C	C	.	.	S	Bend	trans	-135.6	155.1	-170.3	74.7	-174.6	-87.1	0	0	113.8	L443 N444 E451 F452	L443-Q447 PolarHBondContact O-NE2 2.68Å; N444-Q447 PolarHBondContact O-N 3.27Å; Q447-E451 HydrophobicContact CB-CB 4.45Å; Q447-F452 HydrophobicContact CB-CD2 3.67Å; Q447-F452 HydrophobicContact CB-CE2 4.23Å
448	N	77.6	Confident	90.9	Very high	121 Å²	121	48.4 Å²	48.4	65%	0.647	26%	0.263	S	S	*	.			trans	-77.5	152.7	160.7	-57.8	-87	0	0	0	109.8	G450 E451	N448-G450 PolarHBondContact O-N 3.02Å; N448-E451 HydrophobicContact CB-CB 4.42Å; N448-E451 WeakPolarHBondContact CB-OE2 3.44Å; N448-E451 PolarHBondContact N-OE2 2.76Å; N448-E451 PolarHBondContact ND2-OE2 3.43Å; N448-E451 VanDerWaalsContact O-CB 3.27Å; N448-E451 WeakPolarHBondContact O-CB 3.49Å; N448-E451 PolarHBondContact O-N 3.14Å
449	D	73.1	Confident	90.8	Very high	94 Å²	94	44.5 Å²	44.5	50%	0.503	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	112.1	-175.6	164.3	46.5	0	0	0	113.3	R527 K535	D449-R527 IonicContact OD1-CZ 3.78Å; D449-R527 IonicContact OD1-NH1 3.61Å; D449-R527 IonicContact OD1-NH2 2.76Å; D449-R527 PolarHBondContact OD1-NH2 3.21Å; D449-R527 IonicContact OD2-CZ 2.72Å; D449-R527 IonicContact OD2-NH1 3.4Å; D449-R527 PolarHBondContact OD2-NH1 3.23Å; D449-R527 IonicContact OD2-NH2 3.25Å; D449-R527 PolarHBondContact OD2-NH2 2.72Å; D449-K535 IonicContact OD1-NZ 3.78Å; D449-K535 PolarHBondContact OD1-NZ 3.25Å
450	G	71.9	Confident	90.8	Very high	18 Å²	18	46.9 Å²	46.9	19%	0.186	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	21.9	178	0	0	0	0	0	114	N448	N448-G450 PolarHBondContact O-N 3.02Å
451	E	85	Confident	90.8	Very high	93 Å²	93	47.6 Å²	47.6	44%	0.435	26%	0.264	S	S	.	.	S	Bend	trans	-73.4	-55.4	169.1	-172.5	172	-178.1	0	0	110.7	Q447 N448	Q447-E451 HydrophobicContact CB-CB 4.45Å; N448-E451 HydrophobicContact CB-CB 4.42Å; N448-E451 WeakPolarHBondContact CB-OE2 3.44Å; N448-E451 PolarHBondContact N-OE2 2.76Å; N448-E451 PolarHBondContact ND2-OE2 3.43Å; N448-E451 VanDerWaalsContact O-CB 3.27Å; N448-E451 WeakPolarHBondContact O-CB 3.49Å; N448-E451 PolarHBondContact O-N 3.14Å
452	F	94.1	Very high	90.8	Very high	25 Å²	25	46.2 Å²	46.2	11%	0.11	26%	0.261	C	S	.	.	S	Bend	trans	-102.6	16.8	178.7	-61.2	-78.5	0	0	0	113.6	Q447 V454 C504 C505 L508	Q447-F452 HydrophobicContact CB-CD2 3.67Å; Q447-F452 HydrophobicContact CB-CE2 4.23Å; F452-V454 PolarHBondContact O-N 3.12Å; F452-V454 VanDerWaalsContact O-N 3.07Å; F452-C504 WeakPolarHBondContact CD1-O 3.48Å; F452-C504 CarbonylContact O-C 3.59Å; F452-C505 WeakPolarHBondContact O-CA 3.45Å; F452-C505 WeakPolarHBondContact O-CB 3.31Å; F452-C505 PolarHBondContact O-N 2.74Å; F452-L508 HydrophobicContact CB-CB 3.85Å; F452-L508 HydrophobicContact CB-CD2 3.81Å; F452-L508 HydrophobicContact CB-CG 4.36Å; F452-L508 HydrophobicContact CD1-CB 4Å; F452-L508 HydrophobicContact CD2-CB 4.43Å; F452-L508 HydrophobicContact CD2-CD1 4.06Å; F452-L508 HydrophobicContact CD2-CD2 4.03Å; F452-L508 HydrophobicContact CD2-CG 4.4Å; F452-L508 HydrophobicContact CE2-CD1 4.25Å; F452-L508 HydrophobicContact CG-CB 3.84Å; F452-L508 HydrophobicContact CG-CD1 4.3Å; F452-L508 HydrophobicContact CG-CD2 4.04Å; F452-L508 HydrophobicContact CG-CG 4.27Å
453	N	95.9	Very high	90.8	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.107	25%	0.248	C	C	.	.			trans	53.1	29.5	175.9	-55.4	-47	0	0	0	115.7	G501 I534 K535 V536	N453-G501 WeakPolarHBondContact ND2-CA 3.16Å; N453-G501 PolarHBondContact ND2-O 3.4Å; N453-I534 HydrophobicContact CB-CD1 3.96Å; N453-I534 PolarHBondContact OD1-O 3.16Å; N453-K535 CarbonylContact O-C 3.55Å; N453-K535 WeakPolarHBondContact O-CA 3.49Å; N453-V536 PolarHBondContact O-N 3.04Å
454	V	96.7	Very high	90.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-84.4	142.2	170.1	-172.4	0	0	0	0	109.5	L440 F452 L508 K535 F539	L440-V454 HydrophobicContact CD2-CG1 4.13Å; F452-V454 PolarHBondContact O-N 3.12Å; F452-V454 VanDerWaalsContact O-N 3.07Å; V454-L508 HydrophobicContact CG2-CD2 4.04Å; V454-K535 WeakPolarHBondContact O-CD 3.25Å; V454-K535 WeakPolarHBondContact O-CE 3.47Å; V454-K535 PolarHBondContact O-NZ 3.38Å; V454-F539 HydrophobicContact CG1-CE2 3.89Å; V454-F539 HydrophobicContact CG1-CZ 3.86Å
455	V	96.2	Very high	90.6	Very high	5 Å²	5	47 Å²	47	3%	0.03	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-58.5	138.4	170.6	69.8	0	0	0	0	111.5	L440 N444 F471 L474 V536 I537 F539	L440-V455 HydrophobicContact CD2-CG1 3.94Å; N444-V455 PolarHBondContact ND2-O 2.82Å; N444-V455 VanDerWaalsContact ND2-O 3.13Å; V455-F471 HydrophobicContact CG1-CD1 4.06Å; V455-F471 HydrophobicContact CG1-CE1 3.96Å; V455-F471 HydrophobicContact CG2-CB 4.24Å; V455-F471 HydrophobicContact CG2-CD1 3.72Å; V455-F471 HydrophobicContact CG2-CE1 4.44Å; V455-F471 HydrophobicContact CG2-CG 4.3Å; V455-L474 HydrophobicContact CG2-CD1 4.14Å; V455-V536 WeakPolarHBondContact CB-O 3.48Å; V455-V536 PolarHBondContact N-O 3.12Å; V455-V536 VanDerWaalsContact N-O 3.13Å; V455-I537 HydrophobicContact CB-CG2 4.08Å; V455-I537 HydrophobicContact CG2-CG2 4.21Å; V455-F539 HydrophobicContact CG1-CE2 4.48Å
456	H	95.1	Very high	90.9	Very high	81 Å²	81	43.7 Å²	43.7	38%	0.375	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-88.9	119.9	178.6	-172.2	35.3	0	0	0	111.6	N444 F471 E472	N444-H456 WeakPolarHBondContact OD1-CA 3.47Å; N444-H456 PolarHBondContact OD1-ND1 2.7Å; H456-F471 WeakPolarHBondContact O-CA 3.42Å; H456-E472 WeakPolarHBondContact CB-OE1 3.37Å; H456-E472 PolarHBondContact N-OE1 3.03Å; H456-E472 PolarHBondContact O-N 2.93Å
457	L	96.5	Very high	91.4	Very high	17 Å²	17	39 Å²	39	9%	0.089	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	110	169.2	-177.8	69.3	0	0	0	108.8	I437 L440 K441 N444 D459 M469 F471	I437-L457 HydrophobicContact CB-CD2 4.48Å; I437-L457 HydrophobicContact CG1-CD2 4.29Å; I437-L457 HydrophobicContact CG2-CD2 4.28Å; L440-L457 HydrophobicContact CB-CB 4.18Å; L440-L457 HydrophobicContact CB-CD2 4.09Å; L440-L457 HydrophobicContact CD1-CB 4.4Å; L440-L457 HydrophobicContact CD1-CD2 4.47Å; K441-L457 HydrophobicContact CG-CD2 4.39Å; N444-L457 PolarHBondContact OD1-N 2.9Å; L457-D459 WeakPolarHBondContact CD1-O 3.26Å; L457-M469 HydrophobicContact CD1-CB 3.82Å; L457-M469 HydrophobicContact CD1-CG 4.1Å; L457-F471 HydrophobicContact CB-CE1 4.3Å; L457-F471 HydrophobicContact CD1-CD1 4.27Å; L457-F471 HydrophobicContact CD1-CE1 3.86Å; L457-F471 HydrophobicContact CD1-CZ 4Å
458	V	95.2	Very high	92.2	Very high	69 Å²	69	37.7 Å²	37.7	42%	0.418	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-42.4	-174.1	-180	0	0	0	0	111.9	V470	V458-V470 HydrophobicContact CB-CG1 4.29Å; V458-V470 PolarHBondContact N-O 2.9Å
459	D	96.1	Very high	93.2	Very high	26 Å²	26	31.9 Å²	31.9	14%	0.139	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	165.9	177.8	-157.1	-27.6	0	0	0	108.6	R209 R391 Y392 L457 V470	R209-D459 IonicContact NH1-OD1 3.54Å; R209-D459 PolarHBondContact NH1-OD1 3.21Å; R209-D459 VanDerWaalsContact NH1-OD1 3.13Å; R209-D459 IonicContact NH1-OD2 3.66Å; R391-D459 IonicContact CZ-OD2 2.85Å; R391-D459 IonicContact NH1-OD2 2.68Å; R391-D459 PolarHBondContact NH1-OD2 2.9Å; R391-D459 IonicContact NH2-OD2 3.39Å; Y392-D459 PolarHBondContact OH-OD2 3.06Å; L457-D459 WeakPolarHBondContact CD1-O 3.26Å; D459-V470 HydrophobicContact CB-CB 4Å; D459-V470 HydrophobicContact CB-CG2 4.02Å; D459-V470 PolarHBondContact N-O 3.4Å; D459-V470 PolarHBondContact O-N 2.81Å
460	H	97.3	Very high	94.4	Very high	50 Å²	50	27.4 Å²	27.4	23%	0.231	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	135.6	175.4	62.8	-52.2	0	0	0	108.1	R209 I437 K441 C468 M469	R209-H460 PolarHBondContact NH2-O 3.02Å; I437-H460 HydrophobicContact CD1-CB 3.91Å; I437-H460 HydrophobicContact CG1-CB 4.22Å; K441-H460 VanDerWaalsContact CE-CE1 3.5Å; K441-H460 WeakPolarHBondContact CE-CE1 3.05Å; K441-H460 PolarHBondContact NZ-CE1 3.32Å; K441-H460 VanDerWaalsContact NZ-CE1 3.25Å; K441-H460 PolarHBondContact NZ-NE2 3.48Å; H460-C468 CarbonylContact C-O 3.57Å; H460-C468 VanDerWaalsContact CA-O 3.24Å; H460-C468 WeakPolarHBondContact CA-O 3.27Å; H460-M469 HydrophobicContact CB-CG 4.46Å
461	F	96.7	Very high	95.6	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.066	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	174	-177.2	58.3	-91.4	0	0	0	111.6	L388 A389 Y392 F463 C468 V470	L388-F461 HydrophobicContact CB-CE2 4.3Å; L388-F461 HydrophobicContact CB-CZ 4.12Å; A389-F461 HydrophobicContact CB-CD2 3.68Å; A389-F461 HydrophobicContact CB-CE2 3.49Å; A389-F461 VanDerWaalsContact CB-CE2 3.49Å; A389-F461 HydrophobicContact CB-CG 4.33Å; A389-F461 HydrophobicContact CB-CZ 4Å; Y392-F461 AromaticContact CD2-CE1 3.8Å; Y392-F461 HydrophobicContact CD2-CE1 3.8Å; Y392-F461 AromaticContact CD2-CZ 3.83Å; Y392-F461 HydrophobicContact CD2-CZ 3.83Å; Y392-F461 HydrophobicContact CE2-CD1 4.16Å; Y392-F461 AromaticContact CE2-CE1 3.37Å; Y392-F461 HydrophobicContact CE2-CE1 3.37Å; Y392-F461 AromaticContact CE2-CZ 3.89Å; Y392-F461 HydrophobicContact CE2-CZ 3.89Å; F461-F463 HydrophobicContact CD2-CB 3.87Å; F461-F463 HydrophobicContact CE2-CB 3.74Å; F461-F463 HydrophobicContact CE2-CG 4.44Å; F461-C468 HydrophobicContact CD1-CB 4.13Å; F461-C468 HydrophobicContact CD2-CB 3.69Å; F461-C468 HydrophobicContact CE1-CB 3.87Å; F461-C468 HydrophobicContact CE2-CB 3.4Å; F461-C468 HydrophobicContact CG-CB 4.05Å; F461-C468 HydrophobicContact CZ-CB 3.5Å; F461-C468 PolarHBondContact N-O 3.37Å; F461-C468 PolarHBondContact O-N 2.65Å; F461-V470 HydrophobicContact CD1-CG2 4.2Å; F461-V470 HydrophobicContact CE1-CG2 3.6Å
462	I	95.9	Very high	96.1	Very high	74 Å²	74	24.5 Å²	24.5	38%	0.379	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.1	171.3	-61.2	177.1	0	0	0	107.3	L202 F203 H466 V467	L202-I462 HydrophobicContact CD1-CD1 3.73Å; F203-I462 HydrophobicContact CE2-CD1 4.29Å; I462-H466 CarbonylContact C-O 3.54Å; I462-H466 VanDerWaalsContact CA-O 3.28Å; I462-H466 WeakPolarHBondContact CA-O 3.25Å; I462-V467 HydrophobicContact CG1-CG2 4.41Å
463	F	95.5	Very high	96.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.4	-179	-177.7	-113.1	0	0	0	109.2	E330 H387 L388 A389 F461 G465 H466	E330-F463 WeakPolarHBondContact OE1-CE2 3.34Å; H387-F463 AromaticContact CE1-CZ 3.63Å; H387-F463 AromaticContact ND1-CZ 3.71Å; L388-F463 HydrophobicContact CB-CD1 4.3Å; L388-F463 HydrophobicContact CB-CE1 4.36Å; L388-F463 HydrophobicContact CD2-CD1 3.75Å; L388-F463 HydrophobicContact CD2-CE1 3.68Å; A389-F463 HydrophobicContact CB-CD2 4.21Å; A389-F463 VanDerWaalsContact N-CD2 3.33Å; A389-F463 VanDerWaalsContact N-CE2 3.26Å; F461-F463 HydrophobicContact CD2-CB 3.87Å; F461-F463 HydrophobicContact CE2-CB 3.74Å; F461-F463 HydrophobicContact CE2-CG 4.44Å; F463-G465 PolarHBondContact O-N 3.1Å; F463-G465 VanDerWaalsContact O-N 3.07Å; F463-H466 PolarHBondContact N-O 2.95Å; F463-H466 WeakPolarHBondContact O-CB 3.24Å; F463-H466 PolarHBondContact O-N 3.29Å
464	R	94.6	Very high	96.2	Very high	19 Å²	19	26.3 Å²	26.3	7%	0.072	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	38.9	179	-59.5	178.4	-179.3	167.2	-1.7	113.9	Y326 E327 E330 F373 Y380 H387 H466	Y326-R464 HydrophobicContact CE1-CG 4.13Å; E327-R464 VanDerWaalsContact CG-NH2 3.27Å; E327-R464 IonicContact OE1-NH2 3.8Å; E327-R464 PolarHBondContact OE1-NH2 3.27Å; E330-R464 WeakPolarHBondContact OE1-CG 3.09Å; E330-R464 IonicContact OE1-NE 3.47Å; E330-R464 PolarHBondContact OE1-NE 2.59Å; E330-R464 VanDerWaalsContact OE1-NE 3.07Å; E330-R464 IonicContact OE2-CZ 3.8Å; E330-R464 VanDerWaalsContact OE2-CZ 3.26Å; E330-R464 IonicContact OE2-NE 3.73Å; E330-R464 PolarHBondContact OE2-NE 3.25Å; E330-R464 IonicContact OE2-NH2 2.67Å; E330-R464 PolarHBondContact OE2-NH2 3.16Å; F373-R464 HydrophobicContact CD2-CB 4.27Å; F373-R464 HydrophobicContact CD2-CG 4.29Å; F373-R464 HydrophobicContact CE2-CG 4.38Å; Y380-R464 HydrophobicContact CE2-CB 4.14Å; Y380-R464 PolarHBondContact OH-NH1 3.1Å; H387-R464 PolarHBondContact CE1-NH2 3.42Å; R464-H466 PolarHBondContact O-CD2 3.5Å
465	G	91.3	Very high	96.1	Very high	52 Å²	52	29.8 Å²	29.8	54%	0.536	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-8.6	-179.7	0	0	0	0	0	116.1	F463	F463-G465 PolarHBondContact O-N 3.1Å; F463-G465 VanDerWaalsContact O-N 3.07Å
466	H	96.1	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	142.3	179.5	-64.3	-77.5	0	0	0	112.2	D374 S378 Y380 I422 V423 S425 I462 F463 R464	D374-H466 IonicContact OD1-NE2 3.04Å; D374-H466 IonicContact OD2-CE1 2.8Å; D374-H466 IonicContact OD2-NE2 3.74Å; S378-H466 PolarHBondContact O-CE1 3.21Å; Y380-H466 AromaticContact CD2-CD2 3.46Å; Y380-H466 VanDerWaalsContact CD2-CD2 3.46Å; Y380-H466 WeakPolarHBondContact CD2-CD2 3.27Å; Y380-H466 AromaticContact CD2-NE2 3.66Å; Y380-H466 AromaticContact CG-CD2 3.93Å; Y380-H466 PolarHBondContact N-CE1 2.67Å; Y380-H466 VanDerWaalsContact N-CE1 3.34Å; I422-H466 HydrophobicContact CG2-CB 3.89Å; V423-H466 WeakPolarHBondContact O-CB 3.15Å; V423-H466 PolarHBondContact O-ND1 3.17Å; S425-H466 PolarHBondContact N-ND1 2.75Å; I462-H466 CarbonylContact C-O 3.54Å; I462-H466 VanDerWaalsContact CA-O 3.28Å; I462-H466 WeakPolarHBondContact CA-O 3.25Å; F463-H466 PolarHBondContact N-O 2.95Å; F463-H466 WeakPolarHBondContact O-CB 3.24Å; F463-H466 PolarHBondContact O-N 3.29Å; R464-H466 PolarHBondContact O-CD2 3.5Å
467	V	97.3	Very high	96	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.036	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123	166.1	-178.8	0	0	0	0	108.3	V423 T430 A433 I437 I462	V423-V467 HydrophobicContact CB-CB 4.28Å; V423-V467 WeakPolarHBondContact CB-O 3.32Å; V423-V467 WeakPolarHBondContact CG2-O 3.12Å; V423-V467 PolarHBondContact N-O 3.28Å; T430-V467 HydrophobicContact CG2-CG2 3.92Å; A433-V467 HydrophobicContact CB-CB 4.11Å; A433-V467 HydrophobicContact CB-CG1 3.87Å; I437-V467 HydrophobicContact CD1-CG1 3.87Å; I462-V467 HydrophobicContact CG1-CG2 4.41Å
468	C	98.1	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.6	177.8	-66.6	0	0	0	0	109.7	I420 K421 H460 F461	I420-C468 HydrophobicContact CG2-CB 4.25Å; K421-C468 WeakPolarHBondContact O-CA 3.37Å; H460-C468 CarbonylContact C-O 3.57Å; H460-C468 VanDerWaalsContact CA-O 3.24Å; H460-C468 WeakPolarHBondContact CA-O 3.27Å; F461-C468 HydrophobicContact CD1-CB 4.13Å; F461-C468 HydrophobicContact CD2-CB 3.69Å; F461-C468 HydrophobicContact CE1-CB 3.87Å; F461-C468 HydrophobicContact CE2-CB 3.4Å; F461-C468 HydrophobicContact CG-CB 4.05Å; F461-C468 HydrophobicContact CZ-CB 3.5Å; F461-C468 PolarHBondContact N-O 3.37Å; F461-C468 PolarHBondContact O-N 2.65Å
469	M	98.4	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129	173.1	-71.4	168.5	-83	0	0	109.7	I420 K421 V423 A433 E436 I437 L457 H460 F471	I420-M469 CarbonylContact C-O 3.24Å; I420-M469 VanDerWaalsContact CA-O 3.31Å; I420-M469 WeakPolarHBondContact CA-O 3.23Å; K421-M469 HydrophobicContact CB-CB 4.38Å; K421-M469 HydrophobicContact CB-CE 4.5Å; K421-M469 HydrophobicContact CD-CE 3.82Å; K421-M469 HydrophobicContact CG-CE 4.21Å; K421-M469 PolarHBondContact N-O 3.04Å; K421-M469 PolarHBondContact O-N 2.88Å; V423-M469 HydrophobicContact CG2-CE 3.47Å; V423-M469 VanDerWaalsContact CG2-CE 3.47Å; A433-M469 HydrophobicContact CB-CE 3.83Å; E436-M469 HydrophobicContact CB-SD 4.41Å; E436-M469 HydrophobicContact CG-SD 3.9Å; E436-M469 WeakPolarHBondContact OE2-CE 3.42Å; I437-M469 HydrophobicContact CD1-CG 3.78Å; I437-M469 HydrophobicContact CD1-SD 4.09Å; I437-M469 HydrophobicContact CG1-CG 3.68Å; I437-M469 HydrophobicContact CG1-SD 3.64Å; L457-M469 HydrophobicContact CD1-CB 3.82Å; L457-M469 HydrophobicContact CD1-CG 4.1Å; H460-M469 HydrophobicContact CB-CG 4.46Å; M469-F471 HydrophobicContact CB-CD2 4.3Å; M469-F471 HydrophobicContact CB-CE2 3.49Å; M469-F471 VanDerWaalsContact CB-CE2 3.49Å; M469-F471 HydrophobicContact CB-CZ 3.87Å; M469-F471 HydrophobicContact SD-CZ 4.27Å
470	V	98.2	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.4	-177.6	-173.4	0	0	0	0	108.9	Y392 V418 I420 V458 D459 F461	Y392-V470 HydrophobicContact CE1-CG1 3.98Å; Y392-V470 HydrophobicContact CE1-CG2 4.15Å; Y392-V470 HydrophobicContact CE2-CG2 4.26Å; V418-V470 HydrophobicContact CB-CG1 3.81Å; V418-V470 HydrophobicContact CG1-CG1 3.94Å; V418-V470 HydrophobicContact CG2-CG1 3.94Å; I420-V470 HydrophobicContact CD1-CG2 4.34Å; I420-V470 HydrophobicContact CG1-CG1 4.29Å; I420-V470 HydrophobicContact CG1-CG2 4.18Å; I420-V470 HydrophobicContact CG2-CG2 4.43Å; V458-V470 HydrophobicContact CB-CG1 4.29Å; V458-V470 PolarHBondContact N-O 2.9Å; D459-V470 HydrophobicContact CB-CB 4Å; D459-V470 HydrophobicContact CB-CG2 4.02Å; D459-V470 PolarHBondContact N-O 3.4Å; D459-V470 PolarHBondContact O-N 2.81Å; F461-V470 HydrophobicContact CD1-CG2 4.2Å; F461-V470 HydrophobicContact CE1-CG2 3.6Å
471	F	97.8	Very high	95.7	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.075	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.7	-176.4	-63	-83.8	0	0	0	111.5	V418 A419 K421 L440 V455 H456 L457 M469	V418-F471 WeakPolarHBondContact CB-O 3.42Å; A419-F471 HydrophobicContact CB-CB 4.45Å; A419-F471 PolarHBondContact N-O 2.87Å; A419-F471 PolarHBondContact O-N 2.93Å; K421-F471 HydrophobicContact CB-CD2 4.42Å; K421-F471 HydrophobicContact CB-CE2 3.87Å; K421-F471 HydrophobicContact CD-CE2 4.29Å; L440-F471 HydrophobicContact CD1-CE1 3.68Å; L440-F471 HydrophobicContact CD1-CZ 3.97Å; V455-F471 HydrophobicContact CG1-CD1 4.06Å; V455-F471 HydrophobicContact CG1-CE1 3.96Å; V455-F471 HydrophobicContact CG2-CB 4.24Å; V455-F471 HydrophobicContact CG2-CD1 3.72Å; V455-F471 HydrophobicContact CG2-CE1 4.44Å; V455-F471 HydrophobicContact CG2-CG 4.3Å; H456-F471 WeakPolarHBondContact O-CA 3.42Å; L457-F471 HydrophobicContact CB-CE1 4.3Å; L457-F471 HydrophobicContact CD1-CD1 4.27Å; L457-F471 HydrophobicContact CD1-CE1 3.86Å; L457-F471 HydrophobicContact CD1-CZ 4Å; M469-F471 HydrophobicContact CB-CD2 4.3Å; M469-F471 HydrophobicContact CB-CE2 3.49Å; M469-F471 VanDerWaalsContact CB-CE2 3.49Å; M469-F471 HydrophobicContact CB-CZ 3.87Å; M469-F471 HydrophobicContact SD-CZ 4.27Å
472	E	95.5	Very high	95.6	Very high	33 Å²	33	24.5 Å²	24.5	15%	0.154	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141.2	164.1	82.4	-163.2	100.2	0	0	110.5	H456 L474 R527 K535	H456-E472 WeakPolarHBondContact CB-OE1 3.37Å; H456-E472 PolarHBondContact N-OE1 3.03Å; H456-E472 PolarHBondContact O-N 2.93Å; E472-L474 HydrophobicContact CG-CD2 3.75Å; E472-L474 HydrophobicContact CG-CG 3.93Å; E472-L474 PolarHBondContact O-N 3.45Å; E472-R527 IonicContact OE2-NE 2.77Å; E472-R527 IonicContact OE2-NH2 2.68Å; E472-K535 VanDerWaalsContact CD-NZ 3.33Å; E472-K535 VanDerWaalsContact OE1-CD 3.24Å; E472-K535 WeakPolarHBondContact OE1-CD 3.33Å; E472-K535 WeakPolarHBondContact OE1-CE 3.43Å; E472-K535 IonicContact OE1-NZ 2.82Å; E472-K535 PolarHBondContact OE1-NZ 2.86Å; E472-K535 IonicContact OE2-NZ 3.41Å; E472-K535 PolarHBondContact OE2-NZ 2.82Å
473	L	96.6	Very high	95.4	Very high	60 Å²	60	22.9 Å²	22.9	31%	0.314	12%	0.124	S	C	.	.			trans	-76.3	115	173.2	-176	66.8	0	0	0	110.3	L398 H408 Q417 A419	L398-L473 HydrophobicContact CD1-CD1 3.83Å; H408-L473 WeakPolarHBondContact CD2-CD2 3.24Å; H408-L473 VanDerWaalsContact NE2-CD2 3.27Å; H408-L473 WeakPolarHBondContact NE2-CD2 3.33Å; Q417-L473 HydrophobicContact CB-CD2 3.93Å; A419-L473 HydrophobicContact CB-CD1 4.2Å
474	L	95.7	Very high	95.2	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.12	14%	0.136	C	C	.	.			trans	-96.2	175.1	172.2	-60.5	174.5	0	0	0	111	V455 E472 L525 R527 K535 I537	V455-L474 HydrophobicContact CG2-CD1 4.14Å; E472-L474 HydrophobicContact CG-CD2 3.75Å; E472-L474 HydrophobicContact CG-CG 3.93Å; E472-L474 PolarHBondContact O-N 3.45Å; L474-L525 HydrophobicContact CB-CB 3.96Å; L474-L525 HydrophobicContact CB-CD2 3.83Å; L474-L525 HydrophobicContact CD1-CB 3.92Å; L474-L525 HydrophobicContact CD1-CD2 4.25Å; L474-R527 HydrophobicContact CD2-CB 4.47Å; L474-R527 HydrophobicContact CD2-CG 4.17Å; L474-K535 HydrophobicContact CD1-CB 3.92Å; L474-K535 HydrophobicContact CD2-CB 4.44Å; L474-K535 HydrophobicContact CD2-CD 4.22Å; L474-I537 HydrophobicContact CD1-CG2 3.86Å
475	Y	94.4	Very high	95	Very high	74 Å²	74	26 Å²	26	29%	0.29	14%	0.136	S	C	.	.			trans	-97.1	-159.9	175.6	-163.8	-119	0	0	0	110.9	L525 L526 P529 F799	Y475-L525 WeakPolarHBondContact O-CD2 3.49Å; Y475-L525 WeakPolarHBondContact O-CG 3.37Å; Y475-L526 WeakPolarHBondContact CA-O 3.44Å; Y475-L526 WeakPolarHBondContact CB-O 3.37Å; Y475-L526 HydrophobicContact CD1-CD1 4.4Å; Y475-L526 PolarHBondContact N-O 3.13Å; Y475-P529 HydrophobicContact CD1-CB 4.38Å; Y475-P529 HydrophobicContact CD1-CG 4.08Å; Y475-P529 HydrophobicContact CD2-CG 3.81Å; Y475-P529 HydrophobicContact CE1-CB 4.23Å; Y475-P529 HydrophobicContact CE1-CG 4.15Å; Y475-P529 HydrophobicContact CE2-CG 3.87Å; Y475-P529 HydrophobicContact CG-CG 3.93Å; Y475-F799 HydrophobicContact CD1-CE2 4.13Å; Y475-F799 HydrophobicContact CD1-CZ 4.23Å; Y475-F799 HydrophobicContact CE1-CD2 4.16Å; Y475-F799 HydrophobicContact CE1-CE1 4.17Å; Y475-F799 AromaticContact CE1-CE2 3.5Å; Y475-F799 HydrophobicContact CE1-CE2 3.5Å; Y475-F799 VanDerWaalsContact CE1-CE2 3.5Å; Y475-F799 AromaticContact CE1-CZ 3.53Å; Y475-F799 HydrophobicContact CE1-CZ 3.53Å
476	I	93.8	Very high	95	Very high	13 Å²	13	28.9 Å²	28.9	7%	0.067	14%	0.14	C	C	.	.			trans	-58.4	152.8	-175.7	68.9	175.6	0	0	0	113.2	E480 L481 R484 L526 F799	I476-E480 HydrophobicContact CB-CB 4.03Å; I476-E480 HydrophobicContact CD1-CB 4.17Å; I476-E480 HydrophobicContact CG1-CB 4.47Å; I476-E480 VanDerWaalsContact CG2-OE2 3.26Å; I476-E480 WeakPolarHBondContact CG2-OE2 3.41Å; I476-L481 HydrophobicContact CD1-CB 4.23Å; I476-L481 HydrophobicContact CD1-CD1 4.32Å; I476-R484 VanDerWaalsContact CD1-CD 3.46Å; I476-L526 HydrophobicContact CD1-CD1 4.33Å; I476-L526 HydrophobicContact CG1-CD1 3.86Å; I476-L526 PolarHBondContact O-N 2.9Å; I476-F799 HydrophobicContact CD1-CE1 3.78Å; I476-F799 HydrophobicContact CD1-CZ 3.75Å; I476-F799 HydrophobicContact CG1-CZ 4.41Å
477	N	95.7	Very high	94.7	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.16	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-72.1	164.2	168.5	57.3	76.3	0	0	0	111.9	Y479 E480 L481 E522 I524 L525	N477-Y479 VanDerWaalsContact C-N 3.35Å; N477-Y479 WeakPolarHBondContact OD1-CB 3.49Å; N477-Y479 PolarHBondContact OD1-N 3.23Å; N477-E480 PolarHBondContact ND2-OE1 3.31Å; N477-E480 PolarHBondContact O-N 3.3Å; N477-E480 PolarHBondContact OD1-N 2.97Å; N477-L481 PolarHBondContact O-N 3.16Å; N477-E522 VanDerWaalsContact CB-O 3.27Å; N477-E522 WeakPolarHBondContact CB-O 3.33Å; N477-I524 CarbonylContact C-O 3.46Å; N477-I524 VanDerWaalsContact CA-O 3.27Å; N477-I524 WeakPolarHBondContact CA-O 3.48Å; N477-L525 HydrophobicContact CB-CD1 3.71Å; N477-L525 HydrophobicContact CB-CG 4.14Å
478	L	96.8	Very high	94.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.8	-23.5	-178.8	-65	-178.3	0	0	0	113.2	L481 I482 L498 P521 I524 L526 I534 F585	L478-L481 HydrophobicContact CD2-CB 4.43Å; L478-L481 HydrophobicContact CD2-CD2 3.79Å; L478-L481 WeakPolarHBondContact O-CB 3.41Å; L478-L481 PolarHBondContact O-N 3.34Å; L478-I482 WeakPolarHBondContact O-CG1 3.27Å; L478-I482 PolarHBondContact O-N 2.75Å; L478-L498 HydrophobicContact CD1-CD1 4.41Å; L478-L498 HydrophobicContact CD1-CD2 4.17Å; L478-L498 HydrophobicContact CD2-CD1 4.47Å; L478-L498 HydrophobicContact CD2-CD2 4.12Å; L478-P521 HydrophobicContact CB-CB 4.3Å; L478-P521 PolarHBondContact N-O 2.87Å; L478-I524 HydrophobicContact CD1-CB 3.93Å; L478-I524 HydrophobicContact CD1-CG2 3.45Å; L478-I524 VanDerWaalsContact CD1-CG2 3.45Å; L478-I524 HydrophobicContact CG-CB 4.25Å; L478-I524 HydrophobicContact CG-CG2 4.03Å; L478-I524 PolarHBondContact N-O 3.27Å; L478-L526 HydrophobicContact CD2-CD2 3.81Å; L478-L526 HydrophobicContact CD2-CG 4.09Å; L478-I534 HydrophobicContact CD1-CG2 4.25Å; L478-I534 HydrophobicContact CD2-CG2 4.42Å; L478-F585 HydrophobicContact CB-CE1 4.05Å; L478-F585 HydrophobicContact CB-CZ 4.28Å; L478-F585 HydrophobicContact CD1-CE1 3.99Å; L478-F585 HydrophobicContact CD1-CE2 4.18Å; L478-F585 HydrophobicContact CD1-CZ 3.39Å; L478-F585 HydrophobicContact CG-CZ 4.47Å
479	Y	95.6	Very high	93.9	Very high	39 Å²	39	36.6 Å²	36.6	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-47	169.3	179.1	-114	0	0	0	111.6	R41 N477 L481 I482 C483 F487 P521 E522	R41-Y479 VanDerWaalsContact CD-OH 3.32Å; R41-Y479 WeakPolarHBondContact CD-OH 3.45Å; R41-Y479 PolarHBondContact NE-OH 2.9Å; N477-Y479 VanDerWaalsContact C-N 3.35Å; N477-Y479 WeakPolarHBondContact OD1-CB 3.49Å; N477-Y479 PolarHBondContact OD1-N 3.23Å; Y479-L481 VanDerWaalsContact C-N 3.27Å; Y479-L481 PolarHBondContact O-N 2.79Å; Y479-I482 WeakPolarHBondContact O-CB 3.37Å; Y479-I482 PolarHBondContact O-N 3.18Å; Y479-I482 VanDerWaalsContact O-N 3.15Å; Y479-C483 VanDerWaalsContact CZ-SG 3.59Å; Y479-C483 PolarHBondContact O-N 3.23Å; Y479-C483 PolarHBondContact O-SG 2.79Å; Y479-F487 HydrophobicContact CE2-CE1 4.38Å; Y479-P521 PolarHBondContact N-O 2.85Å; Y479-E522 HydrophobicContact CD1-CG 4.38Å; Y479-E522 HydrophobicContact CG-CG 4.26Å
480	E	93.2	Very high	93.6	Very high	69 Å²	69	36.7 Å²	36.7	32%	0.322	18%	0.175	S	C	.	.	H	α-helix	trans	-58.4	-37.8	171.6	-87.4	-174.5	-110.1	0	0	112.3	I476 N477 C483 R484	I476-E480 HydrophobicContact CB-CB 4.03Å; I476-E480 HydrophobicContact CD1-CB 4.17Å; I476-E480 HydrophobicContact CG1-CB 4.47Å; I476-E480 VanDerWaalsContact CG2-OE2 3.26Å; I476-E480 WeakPolarHBondContact CG2-OE2 3.41Å; N477-E480 PolarHBondContact ND2-OE1 3.31Å; N477-E480 PolarHBondContact O-N 3.3Å; N477-E480 PolarHBondContact OD1-N 2.97Å; E480-C483 PolarHBondContact O-N 3.04Å; E480-R484 VanDerWaalsContact O-CB 3.3Å; E480-R484 WeakPolarHBondContact O-CB 3.45Å; E480-R484 VanDerWaalsContact O-CD 3.3Å; E480-R484 WeakPolarHBondContact O-CD 3.18Å; E480-R484 WeakPolarHBondContact O-CG 3.4Å; E480-R484 PolarHBondContact O-N 3.02Å; E480-R484 IonicContact OE2-CZ 3.83Å; E480-R484 IonicContact OE2-NE 2.68Å; E480-R484 IonicContact OE2-NH2 3.74Å; E480-R484 PolarHBondContact OE2-NH2 3.44Å
481	L	93.3	Very high	93.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-39.9	176.2	-172.4	68.2	0	0	0	111.7	I476 N477 L478 Y479 N485 F490 L526 F799 I803	I476-L481 HydrophobicContact CD1-CB 4.23Å; I476-L481 HydrophobicContact CD1-CD1 4.32Å; N477-L481 PolarHBondContact O-N 3.16Å; L478-L481 HydrophobicContact CD2-CB 4.43Å; L478-L481 HydrophobicContact CD2-CD2 3.79Å; L478-L481 WeakPolarHBondContact O-CB 3.41Å; L478-L481 PolarHBondContact O-N 3.34Å; Y479-L481 VanDerWaalsContact C-N 3.27Å; Y479-L481 PolarHBondContact O-N 2.79Å; L481-N485 VanDerWaalsContact O-CB 3.31Å; L481-N485 WeakPolarHBondContact O-CB 3.34Å; L481-N485 PolarHBondContact O-N 2.86Å; L481-F490 HydrophobicContact CB-CZ 4.02Å; L481-F490 HydrophobicContact CD2-CE1 4.11Å; L481-F490 HydrophobicContact CD2-CE2 4.18Å; L481-F490 HydrophobicContact CD2-CZ 3.63Å; L481-F490 HydrophobicContact CG-CE1 3.9Å; L481-F490 HydrophobicContact CG-CZ 3.62Å; L481-L526 HydrophobicContact CD1-CD1 4.36Å; L481-L526 HydrophobicContact CD2-CD1 4.35Å; L481-F799 HydrophobicContact CD1-CE1 4.23Å; L481-F799 HydrophobicContact CD1-CZ 4.13Å; L481-I803 HydrophobicContact CD1-CD1 4.33Å; L481-I803 HydrophobicContact CD1-CG2 4.32Å; L481-I803 HydrophobicContact CD2-CG2 4.12Å
482	I	93	Very high	92.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.7	-47.6	173.5	-62.6	158.6	0	0	0	110.2	L478 Y479 R484 N485 N486 F487 F490 P521 E584 F585	L478-I482 WeakPolarHBondContact O-CG1 3.27Å; L478-I482 PolarHBondContact O-N 2.75Å; Y479-I482 WeakPolarHBondContact O-CB 3.37Å; Y479-I482 PolarHBondContact O-N 3.18Å; Y479-I482 VanDerWaalsContact O-N 3.15Å; I482-R484 PolarHBondContact O-N 3.27Å; I482-N485 CarbonylContact O-C 3.53Å; I482-N485 WeakPolarHBondContact O-CA 3.34Å; I482-N485 WeakPolarHBondContact O-CB 3.44Å; I482-N485 PolarHBondContact O-N 3.07Å; I482-N485 VanDerWaalsContact O-N 3.16Å; I482-N486 PolarHBondContact O-N 3.18Å; I482-F487 HydrophobicContact CG2-CB 4.5Å; I482-F487 HydrophobicContact CG2-CD1 3.72Å; I482-F487 HydrophobicContact CG2-CE1 4.38Å; I482-F487 HydrophobicContact CG2-CG 4.43Å; I482-F487 PolarHBondContact O-N 2.91Å; I482-F490 HydrophobicContact CB-CZ 4.37Å; I482-F490 HydrophobicContact CG1-CE1 4.36Å; I482-F490 HydrophobicContact CG1-CE2 3.87Å; I482-F490 HydrophobicContact CG1-CZ 3.54Å; I482-P521 HydrophobicContact CD1-CB 4.41Å; I482-E584 HydrophobicContact CD1-CG 4.02Å; I482-F585 HydrophobicContact CD1-CD1 4.14Å; I482-F585 HydrophobicContact CD1-CE1 4.39Å
483	C	92.9	Very high	92.8	Very high	40 Å²	40	40.4 Å²	40.4	27%	0.27	20%	0.203	S	C	.	.	H	α-helix	trans	-58.3	-45.9	177.4	-69.6	0	0	0	0	112.3	Y479 E480 N485 N486 F487	Y479-C483 VanDerWaalsContact CZ-SG 3.59Å; Y479-C483 PolarHBondContact O-N 3.23Å; Y479-C483 PolarHBondContact O-SG 2.79Å; E480-C483 PolarHBondContact O-N 3.04Å; C483-N485 VanDerWaalsContact C-N 3.28Å; C483-N485 PolarHBondContact O-N 3.28Å; C483-N486 WeakPolarHBondContact O-CA 3.16Å; C483-N486 PolarHBondContact O-N 2.79Å; C483-F487 HydrophobicContact CB-CE1 4.49Å; C483-F487 HydrophobicContact CB-CZ 4.15Å; C483-F487 VanDerWaalsContact SG-CE1 3.53Å; C483-F487 WeakPolarHBondContact SG-CZ 3.32Å
484	R	91.3	Very high	92.6	Very high	72 Å²	72	38 Å²	38	27%	0.272	19%	0.19	S	C	.	.	H	α-helix	trans	-67.4	-27.8	177.5	-69.1	161.8	179.4	-100.4	-2.4	112.6	I476 E480 I482 N486 D796 V800	I476-R484 VanDerWaalsContact CD1-CD 3.46Å; E480-R484 VanDerWaalsContact O-CB 3.3Å; E480-R484 WeakPolarHBondContact O-CB 3.45Å; E480-R484 VanDerWaalsContact O-CD 3.3Å; E480-R484 WeakPolarHBondContact O-CD 3.18Å; E480-R484 WeakPolarHBondContact O-CG 3.4Å; E480-R484 PolarHBondContact O-N 3.02Å; E480-R484 IonicContact OE2-CZ 3.83Å; E480-R484 IonicContact OE2-NE 2.68Å; E480-R484 IonicContact OE2-NH2 3.74Å; E480-R484 PolarHBondContact OE2-NH2 3.44Å; I482-R484 PolarHBondContact O-N 3.27Å; R484-N486 PolarHBondContact O-N 2.78Å; R484-N486 PolarHBondContact O-ND2 3.46Å; R484-D796 IonicContact CZ-OD1 3.7Å; R484-D796 IonicContact NH1-OD1 2.85Å; R484-D796 PolarHBondContact NH1-OD1 2.66Å; R484-V800 HydrophobicContact CB-CG2 3.6Å
485	N	90.1	Very high	92.6	Very high	16 Å²	16	37 Å²	37	9%	0.086	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	10.5	167.9	-172.7	31.9	0	0	0	113	L481 I482 C483 F487 K488 G489 F490 L804	L481-N485 VanDerWaalsContact O-CB 3.31Å; L481-N485 WeakPolarHBondContact O-CB 3.34Å; L481-N485 PolarHBondContact O-N 2.86Å; I482-N485 CarbonylContact O-C 3.53Å; I482-N485 WeakPolarHBondContact O-CA 3.34Å; I482-N485 WeakPolarHBondContact O-CB 3.44Å; I482-N485 PolarHBondContact O-N 3.07Å; I482-N485 VanDerWaalsContact O-N 3.16Å; C483-N485 VanDerWaalsContact C-N 3.28Å; C483-N485 PolarHBondContact O-N 3.28Å; N485-F487 PolarHBondContact O-N 3.41Å; N485-K488 WeakPolarHBondContact O-CB 3.46Å; N485-K488 WeakPolarHBondContact O-CG 3.49Å; N485-K488 PolarHBondContact O-N 3.49Å; N485-G489 PolarHBondContact ND2-O 3Å; N485-F490 HydrophobicContact CB-CE1 4.14Å; N485-L804 HydrophobicContact CB-CD1 4.17Å; N485-L804 WeakPolarHBondContact OD1-CD1 3.14Å
486	N	91.1	Very high	92.7	Very high	113 Å²	113	34.1 Å²	34.1	60%	0.604	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.4	-179.9	-55.1	-93.5	0	0	0	113	I482 C483 R484 K488	I482-N486 PolarHBondContact O-N 3.18Å; C483-N486 WeakPolarHBondContact O-CA 3.16Å; C483-N486 PolarHBondContact O-N 2.79Å; R484-N486 PolarHBondContact O-N 2.78Å; R484-N486 PolarHBondContact O-ND2 3.46Å; N486-K488 PolarHBondContact O-N 2.84Å
487	F	90.3	Very high	92.8	Very high	62 Å²	62	36.9 Å²	36.9	27%	0.272	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	24	-178.8	-50.2	-85.9	0	0	0	114.7	Y479 I482 C483 N485 G489 G588 N698	Y479-F487 HydrophobicContact CE2-CE1 4.38Å; I482-F487 HydrophobicContact CG2-CB 4.5Å; I482-F487 HydrophobicContact CG2-CD1 3.72Å; I482-F487 HydrophobicContact CG2-CE1 4.38Å; I482-F487 HydrophobicContact CG2-CG 4.43Å; I482-F487 PolarHBondContact O-N 2.91Å; C483-F487 HydrophobicContact CB-CE1 4.49Å; C483-F487 HydrophobicContact CB-CZ 4.15Å; C483-F487 VanDerWaalsContact SG-CE1 3.53Å; C483-F487 WeakPolarHBondContact SG-CZ 3.32Å; N485-F487 PolarHBondContact O-N 3.41Å; F487-G489 VanDerWaalsContact C-N 3.26Å; F487-G489 PolarHBondContact O-N 3.46Å; F487-G588 WeakPolarHBondContact CD1-O 3.36Å; F487-G588 WeakPolarHBondContact O-CA 3.33Å; F487-N698 VanDerWaalsContact O-CB 3.31Å; F487-N698 WeakPolarHBondContact O-CB 3.19Å
488	K	88.3	Confident	92.8	Very high	101 Å²	101	35.5 Å²	35.5	44%	0.439	18%	0.178	S	C	.	.			trans	-78.8	6.3	-177.2	-69.9	-178.7	175.2	-176	0	116.3	N485 N486 N698 S700 L703	N485-K488 WeakPolarHBondContact O-CB 3.46Å; N485-K488 WeakPolarHBondContact O-CG 3.49Å; N485-K488 PolarHBondContact O-N 3.49Å; N486-K488 PolarHBondContact O-N 2.84Å; K488-N698 CarbonylContact C-O 3.48Å; K488-N698 WeakPolarHBondContact CA-O 3.38Å; K488-S700 WeakPolarHBondContact O-CA 3.48Å; K488-S700 VanDerWaalsContact O-CB 3.28Å; K488-S700 WeakPolarHBondContact O-CB 3.18Å; K488-S700 PolarHBondContact O-N 3.24Å; K488-S700 VanDerWaalsContact O-N 3.08Å; K488-L703 HydrophobicContact CB-CD1 4.11Å; K488-L703 HydrophobicContact CD-CD1 4.11Å; K488-L703 HydrophobicContact CG-CD1 3.98Å
489	G	90.2	Very high	92.9	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	18%	0.178	C	C	.	.			trans	64	163.3	-168.6	0	0	0	0	0	114.6	N485 F487 F585 I586	N485-G489 PolarHBondContact ND2-O 3Å; F487-G489 VanDerWaalsContact C-N 3.26Å; F487-G489 PolarHBondContact O-N 3.46Å; G489-F585 CarbonylContact C-O 3.59Å; G489-I586 WeakPolarHBondContact CA-O 3.31Å
490	F	91.4	Very high	93	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	19%	0.189	C	C	.	.			trans	-100.8	154.6	179.6	-58.7	-35.5	0	0	0	111.2	L481 I482 N485 L494 V495 L498 F585 S700 L804	L481-F490 HydrophobicContact CB-CZ 4.02Å; L481-F490 HydrophobicContact CD2-CE1 4.11Å; L481-F490 HydrophobicContact CD2-CE2 4.18Å; L481-F490 HydrophobicContact CD2-CZ 3.63Å; L481-F490 HydrophobicContact CG-CE1 3.9Å; L481-F490 HydrophobicContact CG-CZ 3.62Å; I482-F490 HydrophobicContact CB-CZ 4.37Å; I482-F490 HydrophobicContact CG1-CE1 4.36Å; I482-F490 HydrophobicContact CG1-CE2 3.87Å; I482-F490 HydrophobicContact CG1-CZ 3.54Å; N485-F490 HydrophobicContact CB-CE1 4.14Å; F490-L494 HydrophobicContact CB-CB 4.49Å; F490-L494 HydrophobicContact CB-CD2 4.1Å; F490-L494 HydrophobicContact CB-CG 4.38Å; F490-L494 HydrophobicContact CD1-CD2 4.3Å; F490-L494 HydrophobicContact CG-CD2 4.09Å; F490-V495 HydrophobicContact CB-CG2 3.79Å; F490-V495 WeakPolarHBondContact O-CG2 3.33Å; F490-L498 HydrophobicContact CD2-CD1 3.88Å; F490-L498 HydrophobicContact CE2-CD1 4.01Å; F490-F585 HydrophobicContact CD2-CB 3.94Å; F490-F585 HydrophobicContact CD2-CD1 4.19Å; F490-F585 HydrophobicContact CD2-CG 4.1Å; F490-F585 HydrophobicContact CE2-CB 4.5Å; F490-F585 AromaticContact CE2-CD1 3.91Å; F490-F585 HydrophobicContact CE2-CD1 3.91Å; F490-F585 HydrophobicContact CE2-CE1 4.45Å; F490-F585 HydrophobicContact CE2-CG 4.27Å; F490-F585 PolarHBondContact N-O 3.11Å; F490-S700 PolarHBondContact O-OG 3.33Å; F490-S700 VanDerWaalsContact O-OG 3.14Å; F490-L804 HydrophobicContact CD1-CD2 3.56Å; F490-L804 HydrophobicContact CE1-CD2 4.02Å; F490-L804 HydrophobicContact CG-CD2 4.49Å
491	S	91.3	Very high	93.1	Very high	54 Å²	54	35.6 Å²	35.6	38%	0.378	18%	0.178	S	C	.	.			trans	-64.7	142.7	175.4	64.3	0	0	0	0	111.2	S493 L494 V495	S491-S493 PolarHBondContact O-N 3Å; S491-L494 WeakPolarHBondContact O-CA 3.4Å; S491-L494 PolarHBondContact O-N 3.24Å; S491-V495 WeakPolarHBondContact O-CG2 3.39Å; S491-V495 PolarHBondContact O-N 3.07Å
492	Q	91	Very high	93.4	Very high	34 Å²	34	35.6 Å²	35.6	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-51.5	-30.2	-175.9	-62.2	-168	43.4	0	0	113.8	R496 P718 M723	Q492-R496 WeakPolarHBondContact O-CB 3.1Å; Q492-R496 PolarHBondContact O-N 3.43Å; Q492-R496 VanDerWaalsContact O-N 3.08Å; Q492-P718 PolarHBondContact NE2-O 2.84Å; Q492-M723 HydrophobicContact CB-CE 3.67Å; Q492-M723 HydrophobicContact CG-CE 3.75Å; Q492-M723 VanDerWaalsContact OE1-CE 3.27Å
493	S	91.8	Very high	93.6	Very high	40 Å²	40	35.5 Å²	35.5	28%	0.28	18%	0.177	S	C	.	.	H	α-helix	trans	-72.3	-39.3	174.3	-171.5	0	0	0	0	113.6	S491 K497	S491-S493 PolarHBondContact O-N 3Å; S493-K497 VanDerWaalsContact O-CG 3.28Å; S493-K497 WeakPolarHBondContact O-CG 3.17Å; S493-K497 PolarHBondContact O-N 2.88Å
494	L	93.9	Very high	93.8	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-70.1	-43.1	173.9	176.7	59.1	0	0	0	110.6	F490 S491 R496 K497 L498 I803 L804	F490-L494 HydrophobicContact CB-CB 4.49Å; F490-L494 HydrophobicContact CB-CD2 4.1Å; F490-L494 HydrophobicContact CB-CG 4.38Å; F490-L494 HydrophobicContact CD1-CD2 4.3Å; F490-L494 HydrophobicContact CG-CD2 4.09Å; S491-L494 WeakPolarHBondContact O-CA 3.4Å; S491-L494 PolarHBondContact O-N 3.24Å; L494-R496 PolarHBondContact O-N 3Å; L494-K497 PolarHBondContact O-N 2.89Å; L494-L498 HydrophobicContact CD1-CD1 4.2Å; L494-L498 HydrophobicContact CD1-CD2 4.45Å; L494-L498 HydrophobicContact CD1-CG 4.05Å; L494-L498 HydrophobicContact CG-CD1 4.05Å; L494-L498 HydrophobicContact CG-CG 4.35Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 2.88Å; L494-I803 HydrophobicContact CD1-CG2 4.42Å; L494-I803 HydrophobicContact CD2-CG2 3.99Å; L494-L804 HydrophobicContact CD2-CD2 3.7Å
495	V	95.3	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-50.2	-56.1	173.6	174.7	0	0	0	0	110.4	F490 S491 K497 L498 T499 L582 F585 I586 W749	F490-V495 HydrophobicContact CB-CG2 3.79Å; F490-V495 WeakPolarHBondContact O-CG2 3.33Å; S491-V495 WeakPolarHBondContact O-CG2 3.39Å; S491-V495 PolarHBondContact O-N 3.07Å; V495-K497 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 2.83Å; V495-L498 PolarHBondContact O-N 3.26Å; V495-L498 VanDerWaalsContact O-N 3.15Å; V495-T499 PolarHBondContact O-N 3.09Å; V495-T499 PolarHBondContact O-OG1 3.23Å; V495-L582 HydrophobicContact CG1-CD1 3.1Å; V495-F585 HydrophobicContact CG1-CB 4.41Å; V495-F585 HydrophobicContact CG2-CB 4.15Å; V495-I586 HydrophobicContact CG1-CG1 4.09Å; V495-I586 HydrophobicContact CG2-CG1 4.32Å; V495-W749 HydrophobicContact CG1-CH2 4.18Å; V495-W749 HydrophobicContact CG1-CZ2 4.18Å
496	R	96.1	Very high	94.5	Very high	15 Å²	15	30.2 Å²	30.2	6%	0.057	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-41.6	178.6	-164.4	-170.7	-68.7	136	-3.7	113	Q492 L494 T499 Y500 D720 W749 I750 M753	Q492-R496 WeakPolarHBondContact O-CB 3.1Å; Q492-R496 PolarHBondContact O-N 3.43Å; Q492-R496 VanDerWaalsContact O-N 3.08Å; L494-R496 PolarHBondContact O-N 3Å; R496-T499 PolarHBondContact O-N 3.04Å; R496-Y500 WeakPolarHBondContact O-CB 3.49Å; R496-Y500 PolarHBondContact O-N 3.23Å; R496-D720 IonicContact CZ-OD2 3.82Å; R496-D720 IonicContact NH2-OD2 2.67Å; R496-D720 PolarHBondContact NH2-OD2 3.5Å; R496-W749 HydrophobicContact CB-CH2 4.18Å; R496-W749 HydrophobicContact CB-CZ2 3.59Å; R496-W749 WeakPolarHBondContact CD-O 3.38Å; R496-W749 HydrophobicContact CG-CD2 4.2Å; R496-W749 HydrophobicContact CG-CH2 4.3Å; R496-W749 HydrophobicContact CG-CZ2 3.81Å; R496-W749 PolarHBondContact NE-O 3.24Å; R496-I750 HydrophobicContact CG-CD1 4.27Å; R496-M753 VanDerWaalsContact CD-CG 3.46Å; R496-M753 HydrophobicContact CG-CG 3.91Å; R496-M753 HydrophobicContact CG-SD 4.03Å
497	K	95.3	Very high	94.8	Very high	71 Å²	71	26.2 Å²	26.2	31%	0.309	13%	0.13	S	C	.	.	H	α-helix	trans	-64.9	-39.3	177.1	-73.8	169.6	-176.4	176.9	0	112.8	S493 L494 V495 G501 M753	S493-K497 VanDerWaalsContact O-CG 3.28Å; S493-K497 WeakPolarHBondContact O-CG 3.17Å; S493-K497 PolarHBondContact O-N 2.88Å; L494-K497 PolarHBondContact O-N 2.89Å; V495-K497 VanDerWaalsContact C-N 3.33Å; V495-K497 PolarHBondContact O-N 2.83Å; K497-G501 PolarHBondContact O-N 3.43Å; K497-M753 HydrophobicContact CG-CE 4.19Å
498	L	97	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.7	-45.9	176.1	-67	172.7	0	0	0	110.5	L478 F490 L494 V495 Y500 G501 I502 I534 F585	L478-L498 HydrophobicContact CD1-CD1 4.41Å; L478-L498 HydrophobicContact CD1-CD2 4.17Å; L478-L498 HydrophobicContact CD2-CD1 4.47Å; L478-L498 HydrophobicContact CD2-CD2 4.12Å; F490-L498 HydrophobicContact CD2-CD1 3.88Å; F490-L498 HydrophobicContact CE2-CD1 4.01Å; L494-L498 HydrophobicContact CD1-CD1 4.2Å; L494-L498 HydrophobicContact CD1-CD2 4.45Å; L494-L498 HydrophobicContact CD1-CG 4.05Å; L494-L498 HydrophobicContact CG-CD1 4.05Å; L494-L498 HydrophobicContact CG-CG 4.35Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 2.88Å; V495-L498 PolarHBondContact O-N 3.26Å; V495-L498 VanDerWaalsContact O-N 3.15Å; L498-Y500 PolarHBondContact O-N 3.45Å; L498-G501 PolarHBondContact O-N 2.9Å; L498-G501 VanDerWaalsContact O-N 3.12Å; L498-I502 WeakPolarHBondContact O-CG1 3.26Å; L498-I502 PolarHBondContact O-N 2.92Å; L498-I534 HydrophobicContact CD2-CG2 3.64Å; L498-F585 HydrophobicContact CB-CD2 4.26Å; L498-F585 HydrophobicContact CB-CE2 3.89Å; L498-F585 HydrophobicContact CD1-CD2 4.23Å; L498-F585 HydrophobicContact CD1-CE2 4.18Å
499	T	98.1	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.3	-45.5	177.6	-58.8	0	0	0	0	112.4	V495 R496 G501 I502 L503 L578 F726 W749 I750	V495-T499 PolarHBondContact O-N 3.09Å; V495-T499 PolarHBondContact O-OG1 3.23Å; R496-T499 PolarHBondContact O-N 3.04Å; T499-G501 VanDerWaalsContact C-N 3.29Å; T499-G501 PolarHBondContact O-N 2.84Å; T499-I502 PolarHBondContact O-N 2.92Å; T499-I502 VanDerWaalsContact O-N 3.15Å; T499-L503 HydrophobicContact CG2-CD1 4.16Å; T499-L503 HydrophobicContact CG2-CG 4.3Å; T499-L503 WeakPolarHBondContact O-CG 3.47Å; T499-L503 PolarHBondContact O-N 3.27Å; T499-L578 HydrophobicContact CG2-CD1 4.2Å; T499-L578 HydrophobicContact CG2-CD2 4.27Å; T499-L578 HydrophobicContact CG2-CG 4.49Å; T499-F726 HydrophobicContact CG2-CE1 3.91Å; T499-F726 HydrophobicContact CG2-CZ 3.83Å; T499-W749 HydrophobicContact CG2-CH2 4.21Å; T499-W749 HydrophobicContact CG2-CZ3 3.76Å; T499-I750 HydrophobicContact CG2-CD1 4.22Å
500	Y	97.4	Very high	95.9	Very high	103 Å²	103	22.2 Å²	22.2	40%	0.404	11%	0.11	S	C	.	.	H	α-helix	trans	-55.6	-44.3	172.9	177.2	-94.4	0	0	0	112	R496 L498 I502 L503 C504 L745 I750 M753	R496-Y500 WeakPolarHBondContact O-CB 3.49Å; R496-Y500 PolarHBondContact O-N 3.23Å; L498-Y500 PolarHBondContact O-N 3.45Å; Y500-I502 VanDerWaalsContact C-N 3.32Å; Y500-I502 PolarHBondContact O-N 2.93Å; Y500-L503 PolarHBondContact O-N 3.26Å; Y500-C504 PolarHBondContact O-N 3.04Å; Y500-C504 VanDerWaalsContact O-N 3.11Å; Y500-C504 PolarHBondContact O-SG 2.78Å; Y500-L745 HydrophobicContact CD2-CD2 3.97Å; Y500-L745 HydrophobicContact CE2-CD2 3.87Å; Y500-I750 HydrophobicContact CD2-CG2 3.74Å; Y500-I750 HydrophobicContact CE2-CG2 4.48Å; Y500-M753 HydrophobicContact CD1-CE 4.17Å; Y500-M753 HydrophobicContact CD2-SD 4.32Å; Y500-M753 HydrophobicContact CG-CE 4.06Å; Y500-M753 HydrophobicContact CG-SD 3.96Å
501	G	96.2	Very high	96.1	Very high	7 Å²	7	29 Å²	29	7%	0.072	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-40.8	176.9	0	0	0	0	0	113.5	N453 K497 L498 T499	N453-G501 WeakPolarHBondContact ND2-CA 3.16Å; N453-G501 PolarHBondContact ND2-O 3.4Å; K497-G501 PolarHBondContact O-N 3.43Å; L498-G501 PolarHBondContact O-N 2.9Å; L498-G501 VanDerWaalsContact O-N 3.12Å; T499-G501 VanDerWaalsContact C-N 3.29Å; T499-G501 PolarHBondContact O-N 2.84Å
502	I	98.4	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.2	-40.3	177.5	-58.4	157.2	0	0	0	110.7	L498 T499 Y500 C504 C505 L506 L519 I524 I534 L578 I581 F585	L498-I502 WeakPolarHBondContact O-CG1 3.26Å; L498-I502 PolarHBondContact O-N 2.92Å; T499-I502 PolarHBondContact O-N 2.92Å; T499-I502 VanDerWaalsContact O-N 3.15Å; Y500-I502 VanDerWaalsContact C-N 3.32Å; Y500-I502 PolarHBondContact O-N 2.93Å; I502-C504 VanDerWaalsContact C-N 3.31Å; I502-C504 PolarHBondContact O-N 2.91Å; I502-C505 WeakPolarHBondContact O-CA 3.46Å; I502-C505 WeakPolarHBondContact O-CB 3.41Å; I502-C505 PolarHBondContact O-N 3.38Å; I502-L506 HydrophobicContact CG2-CD1 4.27Å; I502-L506 HydrophobicContact CG2-CG 4.31Å; I502-L506 PolarHBondContact O-N 2.78Å; I502-L519 HydrophobicContact CG2-CD1 4.41Å; I502-L519 HydrophobicContact CG2-CD2 4.15Å; I502-I524 HydrophobicContact CD1-CD1 3.71Å; I502-I524 HydrophobicContact CG1-CD1 3.99Å; I502-I524 HydrophobicContact CG1-CG2 4.38Å; I502-I534 HydrophobicContact CG1-CD1 4.2Å; I502-L578 HydrophobicContact CB-CD1 4.08Å; I502-L578 HydrophobicContact CD1-CD1 4Å; I502-L578 HydrophobicContact CG2-CD1 3.8Å; I502-I581 HydrophobicContact CD1-CG2 4.41Å; I502-F585 HydrophobicContact CD1-CE2 3.96Å; I502-F585 HydrophobicContact CD1-CZ 4.29Å
503	L	98.3	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-37.6	177.2	-76	175	0	0	0	112.9	T499 Y500 C505 L506 E507 M575 L578 F726 A744 L745 I750	T499-L503 HydrophobicContact CG2-CD1 4.16Å; T499-L503 HydrophobicContact CG2-CG 4.3Å; T499-L503 WeakPolarHBondContact O-CG 3.47Å; T499-L503 PolarHBondContact O-N 3.27Å; Y500-L503 PolarHBondContact O-N 3.26Å; L503-C505 PolarHBondContact O-N 3.21Å; L503-L506 PolarHBondContact O-N 3.14Å; L503-E507 WeakPolarHBondContact O-CB 3.4Å; L503-E507 PolarHBondContact O-N 3.1Å; L503-M575 HydrophobicContact CD2-CE 4.12Å; L503-M575 HydrophobicContact CD2-SD 4.19Å; L503-L578 HydrophobicContact CD2-CD2 3.48Å; L503-L578 VanDerWaalsContact CD2-CD2 3.48Å; L503-L578 HydrophobicContact CG-CD2 4.01Å; L503-F726 HydrophobicContact CD1-CE2 4.14Å; L503-F726 HydrophobicContact CD1-CZ 3.98Å; L503-F726 HydrophobicContact CD2-CZ 4.48Å; L503-A744 HydrophobicContact CD1-CB 3.99Å; L503-A744 HydrophobicContact CD2-CB 3.49Å; L503-A744 VanDerWaalsContact CD2-CB 3.49Å; L503-A744 HydrophobicContact CG-CB 4.41Å; L503-L745 HydrophobicContact CB-CD2 3.62Å; L503-L745 HydrophobicContact CB-CG 3.98Å; L503-L745 HydrophobicContact CD1-CD2 4.23Å; L503-L745 HydrophobicContact CD1-CG 4.49Å; L503-I750 HydrophobicContact CD1-CD1 4.01Å; L503-I750 HydrophobicContact CD1-CG1 3.98Å
504	C	96.6	Very high	96.9	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-37	172.6	-59.9	0	0	0	0	112.1	F452 Y500 I502 L508	F452-C504 WeakPolarHBondContact CD1-O 3.48Å; F452-C504 CarbonylContact O-C 3.59Å; Y500-C504 PolarHBondContact O-N 3.04Å; Y500-C504 VanDerWaalsContact O-N 3.11Å; Y500-C504 PolarHBondContact O-SG 2.78Å; I502-C504 VanDerWaalsContact C-N 3.31Å; I502-C504 PolarHBondContact O-N 2.91Å; C504-L508 PolarHBondContact O-N 3.5Å
505	C	98	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.8	-52.2	174.4	-179.5	0	0	0	0	110.5	F452 I502 L503 E507 L508 L509 V536	F452-C505 WeakPolarHBondContact O-CA 3.45Å; F452-C505 WeakPolarHBondContact O-CB 3.31Å; F452-C505 PolarHBondContact O-N 2.74Å; I502-C505 WeakPolarHBondContact O-CA 3.46Å; I502-C505 WeakPolarHBondContact O-CB 3.41Å; I502-C505 PolarHBondContact O-N 3.38Å; L503-C505 PolarHBondContact O-N 3.21Å; C505-E507 PolarHBondContact O-N 3.43Å; C505-L508 PolarHBondContact O-N 2.9Å; C505-L509 WeakPolarHBondContact O-CG 3.21Å; C505-L509 PolarHBondContact O-N 3.46Å; C505-V536 HydrophobicContact CB-CB 4.39Å; C505-V536 HydrophobicContact CB-CG2 3.71Å
506	L	98.4	Very high	97.3	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-31.4	-178.1	-61.7	-176.3	0	0	0	112.9	I502 L503 L509 Y510 L519 D574 M575 L578 P741	I502-L506 HydrophobicContact CG2-CD1 4.27Å; I502-L506 HydrophobicContact CG2-CG 4.31Å; I502-L506 PolarHBondContact O-N 2.78Å; L503-L506 PolarHBondContact O-N 3.14Å; L506-L509 HydrophobicContact CD2-CD1 4.27Å; L506-L509 PolarHBondContact O-N 3.18Å; L506-Y510 WeakPolarHBondContact O-CB 3.13Å; L506-Y510 PolarHBondContact O-N 3.09Å; L506-L519 HydrophobicContact CD1-CD2 4.22Å; L506-L519 HydrophobicContact CD2-CD2 4.26Å; L506-D574 HydrophobicContact CD2-CB 3.94Å; L506-M575 HydrophobicContact CD1-SD 3.74Å; L506-L578 HydrophobicContact CD1-CB 4.32Å; L506-L578 HydrophobicContact CD1-CD2 4.06Å; L506-P741 HydrophobicContact CB-CB 4.01Å; L506-P741 HydrophobicContact CB-CG 3.77Å
507	E	97.3	Very high	97.3	Very high	29 Å²	29	29.5 Å²	29.5	14%	0.136	13%	0.127	C	C	.	.	H	α-helix	trans	-59.1	-49.2	170.1	168.7	169.8	-121.7	0	0	112.1	L503 C505 L509 Y510 R511 P741 L742 L745	L503-E507 WeakPolarHBondContact O-CB 3.4Å; L503-E507 PolarHBondContact O-N 3.1Å; C505-E507 PolarHBondContact O-N 3.43Å; E507-L509 VanDerWaalsContact C-N 3.34Å; E507-L509 PolarHBondContact O-N 2.61Å; E507-Y510 PolarHBondContact O-N 2.67Å; E507-R511 HydrophobicContact CG-CG 4.46Å; E507-R511 VanDerWaalsContact CG-NE 3.31Å; E507-R511 WeakPolarHBondContact O-CB 3.46Å; E507-R511 VanDerWaalsContact O-CG 3.23Å; E507-R511 WeakPolarHBondContact O-CG 3.39Å; E507-R511 PolarHBondContact O-N 2.87Å; E507-R511 IonicContact OE1-CZ 3.64Å; E507-R511 IonicContact OE1-NE 3.63Å; E507-R511 PolarHBondContact OE1-NE 3.48Å; E507-R511 IonicContact OE1-NH2 3.55Å; E507-R511 PolarHBondContact OE1-NH2 3.27Å; E507-R511 IonicContact OE2-NH2 3.61Å; E507-P741 HydrophobicContact CB-CB 4.44Å; E507-L742 HydrophobicContact CG-CD2 3.79Å; E507-L742 WeakPolarHBondContact OE1-CD2 3.44Å; E507-L745 HydrophobicContact CB-CD1 3.77Å; E507-L745 VanDerWaalsContact CD-CD1 3.45Å; E507-L745 HydrophobicContact CG-CD1 4.16Å
508	L	96.9	Very high	97.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-38.8	179.1	-173.8	69.1	0	0	0	111.6	L443 F452 V454 C504 C505 N512	L443-L508 HydrophobicContact CB-CD2 4.26Å; L443-L508 HydrophobicContact CD2-CD2 4.03Å; L443-L508 HydrophobicContact CD2-CG 3.97Å; F452-L508 HydrophobicContact CB-CB 3.85Å; F452-L508 HydrophobicContact CB-CD2 3.81Å; F452-L508 HydrophobicContact CB-CG 4.36Å; F452-L508 HydrophobicContact CD1-CB 4Å; F452-L508 HydrophobicContact CD2-CB 4.43Å; F452-L508 HydrophobicContact CD2-CD1 4.06Å; F452-L508 HydrophobicContact CD2-CD2 4.03Å; F452-L508 HydrophobicContact CD2-CG 4.4Å; F452-L508 HydrophobicContact CE2-CD1 4.25Å; F452-L508 HydrophobicContact CG-CB 3.84Å; F452-L508 HydrophobicContact CG-CD1 4.3Å; F452-L508 HydrophobicContact CG-CD2 4.04Å; F452-L508 HydrophobicContact CG-CG 4.27Å; V454-L508 HydrophobicContact CG2-CD2 4.04Å; C504-L508 PolarHBondContact O-N 3.5Å; C505-L508 PolarHBondContact O-N 2.9Å; L508-N512 WeakPolarHBondContact O-CB 3.42Å; L508-N512 PolarHBondContact O-N 3.24Å; L508-N512 VanDerWaalsContact O-N 3.1Å; L508-N512 PolarHBondContact O-ND2 3.3Å
509	L	97.8	Very high	97.5	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-47.4	176.3	-55.4	-165.9	0	0	0	111.1	L443 C505 L506 E507 R511 N512 K513 V514 H516 F539	L443-L509 HydrophobicContact CD1-CD2 3.41Å; L443-L509 VanDerWaalsContact CD1-CD2 3.41Å; L443-L509 HydrophobicContact CD2-CD2 3.84Å; L443-L509 HydrophobicContact CG-CD2 4.29Å; C505-L509 WeakPolarHBondContact O-CG 3.21Å; C505-L509 PolarHBondContact O-N 3.46Å; L506-L509 HydrophobicContact CD2-CD1 4.27Å; L506-L509 PolarHBondContact O-N 3.18Å; E507-L509 VanDerWaalsContact C-N 3.34Å; E507-L509 PolarHBondContact O-N 2.61Å; L509-R511 PolarHBondContact O-N 3.4Å; L509-N512 CarbonylContact O-C 3.57Å; L509-N512 WeakPolarHBondContact O-CA 3.27Å; L509-N512 PolarHBondContact O-N 3.43Å; L509-N512 VanDerWaalsContact O-N 3.1Å; L509-K513 PolarHBondContact O-N 3.42Å; L509-V514 CarbonylContact C-O 3.3Å; L509-V514 HydrophobicContact CB-CB 4.27Å; L509-V514 WeakPolarHBondContact CB-O 3.47Å; L509-V514 HydrophobicContact CD2-CB 4.45Å; L509-V514 HydrophobicContact CD2-CG1 4.26Å; L509-V514 PolarHBondContact O-N 2.96Å; L509-H516 HydrophobicContact CD1-CB 3.89Å; L509-F539 HydrophobicContact CD1-CE1 3.97Å; L509-F539 HydrophobicContact CD1-CZ 4.48Å; L509-F539 HydrophobicContact CD2-CE1 3.7Å; L509-F539 HydrophobicContact CD2-CZ 4.23Å; L509-F539 HydrophobicContact CG-CE1 4.49Å
510	Y	97.3	Very high	97.5	Very high	80 Å²	80	28.2 Å²	28.2	31%	0.314	12%	0.122	S	C	.	.	H	α-helix	trans	-59.9	-47.3	178.3	-177.9	-92	0	0	0	112	L506 E507 N512 K513 T571 N740 P741 L742	L506-Y510 WeakPolarHBondContact O-CB 3.13Å; L506-Y510 PolarHBondContact O-N 3.09Å; E507-Y510 PolarHBondContact O-N 2.67Å; Y510-N512 PolarHBondContact O-N 3.08Å; Y510-K513 PolarHBondContact O-N 2.8Å; Y510-T571 HydrophobicContact CD2-CG2 4.38Å; Y510-N740 HydrophobicContact CE2-CB 3.96Å; Y510-P741 HydrophobicContact CD2-CG 4.34Å; Y510-P741 HydrophobicContact CG-CG 4.28Å; Y510-L742 HydrophobicContact CD1-CD1 4.15Å; Y510-L742 HydrophobicContact CD1-CG 4.22Å; Y510-L742 HydrophobicContact CE1-CD1 3.88Å; Y510-L742 HydrophobicContact CE1-CG 4.28Å
511	R	96.2	Very high	97.5	Very high	144 Å²	144	23.3 Å²	23.3	54%	0.543	10%	0.102	S	C	.	.	H	α-helix	trans	-57.8	-35.8	174.2	-71.5	170	-179.4	-160.1	5	112.4	E507 L509	E507-R511 HydrophobicContact CG-CG 4.46Å; E507-R511 VanDerWaalsContact CG-NE 3.31Å; E507-R511 WeakPolarHBondContact O-CB 3.46Å; E507-R511 VanDerWaalsContact O-CG 3.23Å; E507-R511 WeakPolarHBondContact O-CG 3.39Å; E507-R511 PolarHBondContact O-N 2.87Å; E507-R511 IonicContact OE1-CZ 3.64Å; E507-R511 IonicContact OE1-NE 3.63Å; E507-R511 PolarHBondContact OE1-NE 3.48Å; E507-R511 IonicContact OE1-NH2 3.55Å; E507-R511 PolarHBondContact OE1-NH2 3.27Å; E507-R511 IonicContact OE2-NH2 3.61Å; L509-R511 PolarHBondContact O-N 3.4Å
512	N	96.5	Very high	97.4	Very high	31 Å²	31	25.2 Å²	25.2	17%	0.166	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.2	177.2	-78.4	-80.3	0	0	0	114.7	L443 Q446 L508 L509 Y510 V514	L443-N512 HydrophobicContact CD2-CB 4.08Å; Q446-N512 PolarHBondContact NE2-OD1 3.4Å; Q446-N512 PolarHBondContact OE1-ND2 3.18Å; Q446-N512 PolarHBondContact OE1-OD1 3.02Å; L508-N512 WeakPolarHBondContact O-CB 3.42Å; L508-N512 PolarHBondContact O-N 3.24Å; L508-N512 VanDerWaalsContact O-N 3.1Å; L508-N512 PolarHBondContact O-ND2 3.3Å; L509-N512 CarbonylContact O-C 3.57Å; L509-N512 WeakPolarHBondContact O-CA 3.27Å; L509-N512 PolarHBondContact O-N 3.43Å; L509-N512 VanDerWaalsContact O-N 3.1Å; Y510-N512 PolarHBondContact O-N 3.08Å; N512-V514 HydrophobicContact CB-CG2 4.06Å; N512-V514 PolarHBondContact O-N 3.1Å
513	K	97.1	Very high	97.4	Very high	131 Å²	131	25.8 Å²	25.8	57%	0.57	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	28.5	-175	-50.7	-179.5	-178	179.7	0	113.8	L509 Y510 Y544 I545	L509-K513 PolarHBondContact O-N 3.42Å; Y510-K513 PolarHBondContact O-N 2.8Å; K513-Y544 CarbonylContact O-C 3.59Å; K513-Y544 WeakPolarHBondContact O-CA 3.44Å; K513-I545 HydrophobicContact CB-CG2 3.82Å; K513-I545 HydrophobicContact CD-CG2 4.44Å; K513-I545 PolarHBondContact O-N 3.38Å
514	V	97.7	Very high	97.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.8	174.1	175.3	0	0	0	0	109.2	I439 L509 N512 C543 Y544 T571	I439-V514 HydrophobicContact CD1-CG1 4.48Å; I439-V514 HydrophobicContact CG2-CG1 3.93Å; I439-V514 HydrophobicContact CG2-CG2 4.41Å; L509-V514 CarbonylContact C-O 3.3Å; L509-V514 HydrophobicContact CB-CB 4.27Å; L509-V514 WeakPolarHBondContact CB-O 3.47Å; L509-V514 HydrophobicContact CD2-CB 4.45Å; L509-V514 HydrophobicContact CD2-CG1 4.26Å; L509-V514 PolarHBondContact O-N 2.96Å; N512-V514 HydrophobicContact CB-CG2 4.06Å; N512-V514 PolarHBondContact O-N 3.1Å; V514-C543 WeakPolarHBondContact CA-O 3.26Å; V514-Y544 HydrophobicContact CG2-CD1 3.81Å; V514-Y544 HydrophobicContact CG2-CE1 3.56Å; V514-Y544 HydrophobicContact CG2-CG 4.48Å; V514-T571 WeakPolarHBondContact O-CG2 3.26Å
515	I	98.1	Very high	97.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.9	172.1	-43.8	171.3	0	0	0	107.2	C517 S542 C543 I545 Y569 T571 I573 D574	I515-C517 WeakPolarHBondContact CG2-SG 3.37Å; I515-S542 WeakPolarHBondContact O-CA 3.26Å; I515-S542 WeakPolarHBondContact O-CB 3.19Å; I515-C543 PolarHBondContact N-O 3.4Å; I515-C543 PolarHBondContact O-N 3.4Å; I515-I545 HydrophobicContact CD1-CB 4.37Å; I515-I545 HydrophobicContact CD1-CG1 4.3Å; I515-Y569 HydrophobicContact CD1-CD2 4.07Å; I515-Y569 HydrophobicContact CD1-CE2 3.95Å; I515-T571 HydrophobicContact CG1-CG2 4.05Å; I515-I573 HydrophobicContact CG2-CD1 3.62Å; I515-I573 HydrophobicContact CG2-CG1 3.66Å; I515-D574 VanDerWaalsContact CG2-OD2 3.26Å; I515-D574 WeakPolarHBondContact CG2-OD2 3.48Å
516	H	98.1	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.116	C	C	.	.			trans	-71.7	-39.2	179.9	-167.3	-96.4	0	0	0	111.7	L509 D518 L519 V536 I537 F539 S542 D574	L509-H516 HydrophobicContact CD1-CB 3.89Å; H516-D518 VanDerWaalsContact ND1-C 3.35Å; H516-D518 PolarHBondContact O-N 3.09Å; H516-L519 PolarHBondContact ND1-N 3.18Å; H516-V536 WeakPolarHBondContact NE2-CG1 3.38Å; H516-I537 PolarHBondContact CE1-O 2.85Å; H516-I537 PolarHBondContact NE2-O 3.14Å; H516-F539 AromaticContact CD2-CD1 3.88Å; H516-F539 AromaticContact CD2-CE1 3.59Å; H516-F539 AromaticContact CD2-CZ 3.76Å; H516-S542 WeakPolarHBondContact CA-OG 3.48Å; H516-S542 PolarHBondContact O-OG 3.15Å; H516-D574 WeakPolarHBondContact CB-OD1 3.48Å; H516-D574 PolarHBondContact N-OD2 2.97Å
517	C	97.5	Very high	97.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	13%	0.127	C	C	.	.	S	Bend	trans	66	-8.4	175.1	-63.3	0	0	0	0	116.9	I515 S541 I553 Q554 D574	I515-C517 WeakPolarHBondContact CG2-SG 3.37Å; C517-S541 WeakPolarHBondContact CB-O 3.48Å; C517-I553 HydrophobicContact CB-CD1 4.19Å; C517-Q554 WeakPolarHBondContact O-CA 3.3Å; C517-Q554 WeakPolarHBondContact O-CG 3.21Å; C517-Q554 PolarHBondContact O-N 2.91Å; C517-D574 PolarHBondContact N-OD1 3.44Å
518	D	97	Very high	96.8	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.08	15%	0.151	C	C	.	.			trans	-149	51.8	170.6	-162.8	31.8	0	0	0	113.1	H516 K520 N523 S555	H516-D518 VanDerWaalsContact ND1-C 3.35Å; H516-D518 PolarHBondContact O-N 3.09Å; D518-K520 IonicContact OD1-NZ 3.6Å; D518-K520 IonicContact OD2-NZ 2.69Å; D518-K520 PolarHBondContact OD2-NZ 2.84Å; D518-N523 PolarHBondContact O-ND2 3.25Å; D518-S555 WeakPolarHBondContact OD1-CB 3.24Å; D518-S555 PolarHBondContact OD1-N 2.97Å; D518-S555 PolarHBondContact OD1-OG 2.76Å; D518-S555 PolarHBondContact OD2-OG 3.19Å
519	L	98.3	Very high	96.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	17%	0.173	C	C	.	.			trans	-74.8	125.8	175.2	-169.5	75.5	0	0	0	110.4	I502 L506 H516 I524 V536 L578 I581	I502-L519 HydrophobicContact CG2-CD1 4.41Å; I502-L519 HydrophobicContact CG2-CD2 4.15Å; L506-L519 HydrophobicContact CD1-CD2 4.22Å; L506-L519 HydrophobicContact CD2-CD2 4.26Å; H516-L519 PolarHBondContact ND1-N 3.18Å; L519-I524 HydrophobicContact CD1-CD1 4.37Å; L519-I524 HydrophobicContact CD1-CG1 4.38Å; L519-V536 HydrophobicContact CD1-CG1 3.9Å; L519-L578 HydrophobicContact CD2-CB 4.45Å; L519-I581 HydrophobicContact CB-CD1 4.48Å; L519-I581 HydrophobicContact CD2-CD1 3.96Å; L519-I581 HydrophobicContact CG-CD1 3.75Å
520	K	97.8	Very high	95.9	Very high	28 Å²	28	40.7 Å²	40.7	12%	0.122	18%	0.184	C	C	.	.			trans	-163.1	163.5	-176.5	63.3	-167.6	-171.8	-148.4	0	111.6	D518 E522 N523 S555 Y558	D518-K520 IonicContact OD1-NZ 3.6Å; D518-K520 IonicContact OD2-NZ 2.69Å; D518-K520 PolarHBondContact OD2-NZ 2.84Å; K520-E522 WeakPolarHBondContact CB-OE2 3.41Å; K520-E522 HydrophobicContact CD-CB 4.43Å; K520-E522 HydrophobicContact CG-CB 4.17Å; K520-E522 VanDerWaalsContact CG-OE2 3.26Å; K520-E522 WeakPolarHBondContact CG-OE2 3.49Å; K520-E522 PolarHBondContact O-N 3.35Å; K520-N523 WeakPolarHBondContact CE-ND2 3.39Å; K520-N523 WeakPolarHBondContact CE-OD1 3.31Å; K520-N523 HydrophobicContact CG-CB 3.91Å; K520-N523 PolarHBondContact O-N 3.35Å; K520-S555 VanDerWaalsContact CD-OG 3.3Å; K520-S555 WeakPolarHBondContact CD-OG 3.27Å; K520-S555 PolarHBondContact NZ-OG 3.39Å; K520-S555 VanDerWaalsContact NZ-OG 3.1Å; K520-Y558 HydrophobicContact CB-CD2 3.53Å; K520-Y558 HydrophobicContact CB-CE2 3.45Å; K520-Y558 VanDerWaalsContact CB-CE2 3.45Å; K520-Y558 HydrophobicContact CB-CG 4.25Å
521	P	97.7	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.5	-24.9	-178.3	-22	35.1	0	0	0	114.3	L478 Y479 I482 Y558 I581 F585	L478-P521 HydrophobicContact CB-CB 4.3Å; L478-P521 PolarHBondContact N-O 2.87Å; Y479-P521 PolarHBondContact N-O 2.85Å; I482-P521 HydrophobicContact CD1-CB 4.41Å; P521-Y558 VanDerWaalsContact CD-OH 3.27Å; P521-Y558 WeakPolarHBondContact CD-OH 3.36Å; P521-Y558 HydrophobicContact CG-CE1 4.15Å; P521-I581 HydrophobicContact CG-CG1 4.22Å; P521-I581 HydrophobicContact CG-CG2 4.44Å; P521-F585 HydrophobicContact CB-CE1 4.38Å; P521-F585 HydrophobicContact CG-CE1 4.49Å
522	E	95	Very high	95.4	Very high	47 Å²	47	37 Å²	37	22%	0.22	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-69.9	-31.8	172.7	-55.7	92.8	139	0	0	112.5	N477 Y479 K520 I524 L525	N477-E522 VanDerWaalsContact CB-O 3.27Å; N477-E522 WeakPolarHBondContact CB-O 3.33Å; Y479-E522 HydrophobicContact CD1-CG 4.38Å; Y479-E522 HydrophobicContact CG-CG 4.26Å; K520-E522 WeakPolarHBondContact CB-OE2 3.41Å; K520-E522 HydrophobicContact CD-CB 4.43Å; K520-E522 HydrophobicContact CG-CB 4.17Å; K520-E522 VanDerWaalsContact CG-OE2 3.26Å; K520-E522 WeakPolarHBondContact CG-OE2 3.49Å; K520-E522 PolarHBondContact O-N 3.35Å; E522-I524 VanDerWaalsContact C-N 3.32Å; E522-I524 PolarHBondContact O-N 3.2Å; E522-L525 WeakPolarHBondContact O-CD1 3.48Å
523	N	97.7	Very high	95.3	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.064	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-93.7	16.9	-177.8	-72.1	0.7	0	0	0	112.8	D518 K520 I537	D518-N523 PolarHBondContact O-ND2 3.25Å; K520-N523 WeakPolarHBondContact CE-ND2 3.39Å; K520-N523 WeakPolarHBondContact CE-OD1 3.31Å; K520-N523 HydrophobicContact CG-CB 3.91Å; K520-N523 PolarHBondContact O-N 3.35Å; N523-I537 HydrophobicContact CB-CG1 4.19Å; N523-I537 WeakPolarHBondContact O-CG1 3.18Å; N523-I537 PolarHBondContact O-N 3.46Å
524	I	98.2	Very high	95.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.4	175.3	-56.1	159.6	0	0	0	107.8	N477 L478 I502 L519 E522 I534 V536 I581	N477-I524 CarbonylContact C-O 3.46Å; N477-I524 VanDerWaalsContact CA-O 3.27Å; N477-I524 WeakPolarHBondContact CA-O 3.48Å; L478-I524 HydrophobicContact CD1-CB 3.93Å; L478-I524 HydrophobicContact CD1-CG2 3.45Å; L478-I524 VanDerWaalsContact CD1-CG2 3.45Å; L478-I524 HydrophobicContact CG-CB 4.25Å; L478-I524 HydrophobicContact CG-CG2 4.03Å; L478-I524 PolarHBondContact N-O 3.27Å; I502-I524 HydrophobicContact CD1-CD1 3.71Å; I502-I524 HydrophobicContact CG1-CD1 3.99Å; I502-I524 HydrophobicContact CG1-CG2 4.38Å; L519-I524 HydrophobicContact CD1-CD1 4.37Å; L519-I524 HydrophobicContact CD1-CG1 4.38Å; E522-I524 VanDerWaalsContact C-N 3.32Å; E522-I524 PolarHBondContact O-N 3.2Å; I524-I534 HydrophobicContact CG2-CB 3.86Å; I524-I534 HydrophobicContact CG2-CD1 3.96Å; I524-I534 HydrophobicContact CG2-CG1 4.18Å; I524-I534 HydrophobicContact CG2-CG2 4.11Å; I524-V536 HydrophobicContact CG1-CG2 4.49Å; I524-I581 HydrophobicContact CD1-CD1 4.21Å; I524-I581 HydrophobicContact CD1-CG2 4.38Å
525	L	97.4	Very high	95.3	Very high	28 Å²	28	36.3 Å²	36.3	15%	0.147	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.6	-173.6	-83.7	62.2	0	0	0	111.9	L474 Y475 N477 E522 I534 K535 I537	L474-L525 HydrophobicContact CB-CB 3.96Å; L474-L525 HydrophobicContact CB-CD2 3.83Å; L474-L525 HydrophobicContact CD1-CB 3.92Å; L474-L525 HydrophobicContact CD1-CD2 4.25Å; Y475-L525 WeakPolarHBondContact O-CD2 3.49Å; Y475-L525 WeakPolarHBondContact O-CG 3.37Å; N477-L525 HydrophobicContact CB-CD1 3.71Å; N477-L525 HydrophobicContact CB-CG 4.14Å; E522-L525 WeakPolarHBondContact O-CD1 3.48Å; L525-I534 CarbonylContact O-C 3.58Å; L525-I534 WeakPolarHBondContact O-CA 3.38Å; L525-K535 PolarHBondContact N-O 3.24Å; L525-K535 PolarHBondContact O-N 3.37Å; L525-I537 HydrophobicContact CD1-CD1 3.46Å; L525-I537 VanDerWaalsContact CD1-CD1 3.46Å; L525-I537 HydrophobicContact CD1-CG1 3.77Å; L525-I537 HydrophobicContact CD1-CG2 4.16Å; L525-I537 HydrophobicContact CD2-CD1 4.19Å; L525-I537 HydrophobicContact CD2-CG2 4.39Å; L525-I537 HydrophobicContact CG-CD1 4.49Å
526	L	96	Very high	95.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	133.6	170.3	-66	174.5	0	0	0	110.1	Y475 I476 L478 L481 R528 I534 F799 I803	Y475-L526 WeakPolarHBondContact CA-O 3.44Å; Y475-L526 WeakPolarHBondContact CB-O 3.37Å; Y475-L526 HydrophobicContact CD1-CD1 4.4Å; Y475-L526 PolarHBondContact N-O 3.13Å; I476-L526 HydrophobicContact CD1-CD1 4.33Å; I476-L526 HydrophobicContact CG1-CD1 3.86Å; I476-L526 PolarHBondContact O-N 2.9Å; L478-L526 HydrophobicContact CD2-CD2 3.81Å; L478-L526 HydrophobicContact CD2-CG 4.09Å; L481-L526 HydrophobicContact CD1-CD1 4.36Å; L481-L526 HydrophobicContact CD2-CD1 4.35Å; L526-R528 VanDerWaalsContact C-N 3.34Å; L526-R528 PolarHBondContact O-N 3.18Å; L526-I534 HydrophobicContact CD2-CG2 4.2Å; L526-F799 HydrophobicContact CD1-CZ 4.1Å; L526-I803 HydrophobicContact CD1-CD1 3.48Å; L526-I803 VanDerWaalsContact CD1-CD1 3.48Å; L526-I803 HydrophobicContact CD2-CD1 4.47Å
527	R	94	Very high	95.2	Very high	66 Å²	66	38.2 Å²	38.2	25%	0.249	18%	0.184	C	C	.	.	S	Bend	trans	-69.8	-30.7	-180	-167.6	172.6	-172	-171.1	-3.2	112.9	D449 E472 L474 K533	D449-R527 IonicContact OD1-CZ 3.78Å; D449-R527 IonicContact OD1-NH1 3.61Å; D449-R527 IonicContact OD1-NH2 2.76Å; D449-R527 PolarHBondContact OD1-NH2 3.21Å; D449-R527 IonicContact OD2-CZ 2.72Å; D449-R527 IonicContact OD2-NH1 3.4Å; D449-R527 PolarHBondContact OD2-NH1 3.23Å; D449-R527 IonicContact OD2-NH2 3.25Å; D449-R527 PolarHBondContact OD2-NH2 2.72Å; E472-R527 IonicContact OE2-NE 2.77Å; E472-R527 IonicContact OE2-NH2 2.68Å; L474-R527 HydrophobicContact CD2-CB 4.47Å; L474-R527 HydrophobicContact CD2-CG 4.17Å; R527-K533 HydrophobicContact CB-CB 4.35Å; R527-K533 WeakPolarHBondContact CB-O 3.26Å; R527-K533 PolarHBondContact N-O 3.11Å
528	R	91.4	Very high	95.1	Very high	172 Å²	172	39.4 Å²	39.4	65%	0.649	19%	0.19	S	C	*	.	S	Bend	trans	-152	154.3	178.2	-64.2	-173	-177	165.9	1.5	110.7	L526	L526-R528 VanDerWaalsContact C-N 3.34Å; L526-R528 PolarHBondContact O-N 3.18Å
529	P	88.7	Confident	95	Very high	75 Å²	75	38.8 Å²	38.8	49%	0.487	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	149	167.1	-22.8	32.9	0	0	0	112.4	Y475 K531 F799	Y475-P529 HydrophobicContact CD1-CB 4.38Å; Y475-P529 HydrophobicContact CD1-CG 4.08Å; Y475-P529 HydrophobicContact CD2-CG 3.81Å; Y475-P529 HydrophobicContact CE1-CB 4.23Å; Y475-P529 HydrophobicContact CE1-CG 4.15Å; Y475-P529 HydrophobicContact CE2-CG 3.87Å; Y475-P529 HydrophobicContact CG-CG 3.93Å; P529-K531 PolarHBondContact O-N 2.98Å; P529-K531 VanDerWaalsContact O-N 3.16Å; P529-F799 HydrophobicContact CB-CD2 4.07Å; P529-F799 HydrophobicContact CB-CE2 4.23Å
530	G	85.8	Confident	94.8	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	10.1	173.8	0	0	0	0	0	116.6	S802	G530-S802 WeakPolarHBondContact CA-OG 3.35Å
531	K	91.1	Very high	94.5	Very high	107 Å²	107	39.9 Å²	39.9	47%	0.465	20%	0.199	S	C	.	.			trans	-138	145.7	179.8	-64.8	-66.2	179.8	-179.5	0	111.1	P529 K533 D762	P529-K531 PolarHBondContact O-N 2.98Å; P529-K531 VanDerWaalsContact O-N 3.16Å; K531-K533 PolarHBondContact O-N 3.3Å; K531-D762 IonicContact NZ-OD1 2.72Å; K531-D762 PolarHBondContact NZ-OD1 3.31Å; K531-D762 VanDerWaalsContact NZ-OD1 3.07Å
532	S	91.8	Very high	94.4	Very high	40 Å²	40	40.1 Å²	40.1	28%	0.28	20%	0.201	S	C	.	.			trans	-91.6	15.5	-175.3	66.7	0	0	0	0	115.3
533	K	94.5	Very high	94.5	Very high	144 Å²	144	38.2 Å²	38.2	63%	0.626	19%	0.193	S	C	*	.			trans	-76.6	132	171.1	-73.5	-158.6	173.6	-161.1	0	109.3	R527 K531	R527-K533 HydrophobicContact CB-CB 4.35Å; R527-K533 WeakPolarHBondContact CB-O 3.26Å; R527-K533 PolarHBondContact N-O 3.11Å; K531-K533 PolarHBondContact O-N 3.3Å
534	I	96.9	Very high	94.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	166.2	-177.5	62.1	91.2	0	0	0	111.9	N453 L478 L498 I502 I524 L525 L526 V536	N453-I534 HydrophobicContact CB-CD1 3.96Å; N453-I534 PolarHBondContact OD1-O 3.16Å; L478-I534 HydrophobicContact CD1-CG2 4.25Å; L478-I534 HydrophobicContact CD2-CG2 4.42Å; L498-I534 HydrophobicContact CD2-CG2 3.64Å; I502-I534 HydrophobicContact CG1-CD1 4.2Å; I524-I534 HydrophobicContact CG2-CB 3.86Å; I524-I534 HydrophobicContact CG2-CD1 3.96Å; I524-I534 HydrophobicContact CG2-CG1 4.18Å; I524-I534 HydrophobicContact CG2-CG2 4.11Å; L525-I534 CarbonylContact O-C 3.58Å; L525-I534 WeakPolarHBondContact O-CA 3.38Å; L526-I534 HydrophobicContact CD2-CG2 4.2Å; I534-V536 HydrophobicContact CD1-CG2 4.23Å
535	K	97.4	Very high	94.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.9	154.4	-72.6	-168.4	166.7	-161.2	0	110.7	D449 N453 V454 E472 L474 L525	D449-K535 IonicContact OD1-NZ 3.78Å; D449-K535 PolarHBondContact OD1-NZ 3.25Å; N453-K535 CarbonylContact O-C 3.55Å; N453-K535 WeakPolarHBondContact O-CA 3.49Å; V454-K535 WeakPolarHBondContact O-CD 3.25Å; V454-K535 WeakPolarHBondContact O-CE 3.47Å; V454-K535 PolarHBondContact O-NZ 3.38Å; E472-K535 VanDerWaalsContact CD-NZ 3.33Å; E472-K535 VanDerWaalsContact OE1-CD 3.24Å; E472-K535 WeakPolarHBondContact OE1-CD 3.33Å; E472-K535 WeakPolarHBondContact OE1-CE 3.43Å; E472-K535 IonicContact OE1-NZ 2.82Å; E472-K535 PolarHBondContact OE1-NZ 2.86Å; E472-K535 IonicContact OE2-NZ 3.41Å; E472-K535 PolarHBondContact OE2-NZ 2.82Å; L474-K535 HydrophobicContact CD1-CB 3.92Å; L474-K535 HydrophobicContact CD2-CB 4.44Å; L474-K535 HydrophobicContact CD2-CD 4.22Å; L525-K535 PolarHBondContact N-O 3.24Å; L525-K535 PolarHBondContact O-N 3.37Å
536	V	98.1	Very high	93.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	139.5	174.3	-175.5	0	0	0	0	109.6	N453 V455 C505 H516 L519 I524 I534	N453-V536 PolarHBondContact O-N 3.04Å; V455-V536 WeakPolarHBondContact CB-O 3.48Å; V455-V536 PolarHBondContact N-O 3.12Å; V455-V536 VanDerWaalsContact N-O 3.13Å; C505-V536 HydrophobicContact CB-CB 4.39Å; C505-V536 HydrophobicContact CB-CG2 3.71Å; H516-V536 WeakPolarHBondContact NE2-CG1 3.38Å; L519-V536 HydrophobicContact CD1-CG1 3.9Å; I524-V536 HydrophobicContact CG1-CG2 4.49Å; I534-V536 HydrophobicContact CD1-CG2 4.23Å
537	I	97.1	Very high	93.6	Very high	39 Å²	39	53 Å²	53	20%	0.2	27%	0.265	C	S	.	.			trans	-129.2	173.4	-174.8	72.9	156.7	0	0	0	112.4	V455 L474 H516 N523 L525	V455-I537 HydrophobicContact CB-CG2 4.08Å; V455-I537 HydrophobicContact CG2-CG2 4.21Å; L474-I537 HydrophobicContact CD1-CG2 3.86Å; H516-I537 PolarHBondContact CE1-O 2.85Å; H516-I537 PolarHBondContact NE2-O 3.14Å; N523-I537 HydrophobicContact CB-CG1 4.19Å; N523-I537 WeakPolarHBondContact O-CG1 3.18Å; N523-I537 PolarHBondContact O-N 3.46Å; L525-I537 HydrophobicContact CD1-CD1 3.46Å; L525-I537 VanDerWaalsContact CD1-CD1 3.46Å; L525-I537 HydrophobicContact CD1-CG1 3.77Å; L525-I537 HydrophobicContact CD1-CG2 4.16Å; L525-I537 HydrophobicContact CD2-CD1 4.19Å; L525-I537 HydrophobicContact CD2-CG2 4.39Å; L525-I537 HydrophobicContact CG-CD1 4.49Å
538	D	95.1	Very high	93.2	Very high	26 Å²	26	52 Å²	52	14%	0.139	27%	0.268	C	S	.	.			trans	64.4	64.6	171.1	-165.1	27.1	0	0	0	114.7	K421 G540	K421-D538 IonicContact NZ-OD1 2.73Å; K421-D538 PolarHBondContact NZ-OD1 2.87Å; D538-G540 PolarHBondContact O-N 2.88Å; D538-G540 VanDerWaalsContact O-N 3.16Å
539	F	95.8	Very high	92.6	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-77.9	11.8	175.6	-73.4	-101.1	0	0	0	112.7	E436 I439 L440 L443 V454 V455 L509 H516 S541 S542	E436-F539 HydrophobicContact CG-CB 4.02Å; E436-F539 PolarHBondContact OE1-N 3.14Å; I439-F539 HydrophobicContact CG2-CD1 3.96Å; L440-F539 HydrophobicContact CD2-CD2 3.71Å; L440-F539 HydrophobicContact CD2-CE2 4.14Å; L440-F539 HydrophobicContact CD2-CG 4.12Å; L440-F539 HydrophobicContact CG-CB 4.33Å; L440-F539 HydrophobicContact CG-CD2 4.43Å; L440-F539 HydrophobicContact CG-CG 4.43Å; L443-F539 HydrophobicContact CD1-CD1 4.29Å; L443-F539 HydrophobicContact CD1-CE1 3.8Å; L443-F539 HydrophobicContact CD1-CZ 4.36Å; V454-F539 HydrophobicContact CG1-CE2 3.89Å; V454-F539 HydrophobicContact CG1-CZ 3.86Å; V455-F539 HydrophobicContact CG1-CE2 4.48Å; L509-F539 HydrophobicContact CD1-CE1 3.97Å; L509-F539 HydrophobicContact CD1-CZ 4.48Å; L509-F539 HydrophobicContact CD2-CE1 3.7Å; L509-F539 HydrophobicContact CD2-CZ 4.23Å; L509-F539 HydrophobicContact CG-CE1 4.49Å; H516-F539 AromaticContact CD2-CD1 3.88Å; H516-F539 AromaticContact CD2-CE1 3.59Å; H516-F539 AromaticContact CD2-CZ 3.76Å; F539-S541 PolarHBondContact O-N 2.83Å; F539-S541 VanDerWaalsContact O-N 3.15Å; F539-S542 WeakPolarHBondContact CA-OG 3.46Å; F539-S542 WeakPolarHBondContact CD1-OG 3.27Å; F539-S542 WeakPolarHBondContact O-CB 3.41Å; F539-S542 PolarHBondContact O-N 2.91Å; F539-S542 PolarHBondContact O-OG 2.9Å
540	G	92.3	Very high	92.3	Very high	9 Å²	9	47.5 Å²	47.5	9%	0.093	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67	-9.7	-179.2	0	0	0	0	0	115.3	Q432 E436 D538	Q432-G540 PolarHBondContact NE2-O 3.05Å; E436-G540 VanDerWaalsContact CD-N 3.34Å; E436-G540 PolarHBondContact OE1-N 3.34Å; E436-G540 WeakPolarHBondContact OE2-CA 3.34Å; D538-G540 PolarHBondContact O-N 2.88Å; D538-G540 VanDerWaalsContact O-N 3.16Å
541	S	92.8	Very high	92.3	Very high	43 Å²	43	52.6 Å²	52.6	30%	0.301	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-108.9	-5.3	171.1	-59.5	0	0	0	0	113.4	C517 F539	C517-S541 WeakPolarHBondContact CB-O 3.48Å; F539-S541 PolarHBondContact O-N 2.83Å; F539-S541 VanDerWaalsContact O-N 3.15Å
542	S	95.9	Very high	92.2	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.042	27%	0.27	C	S	.	.			trans	-74.9	153.5	-172.2	-53.9	0	0	0	0	112.4	I515 H516 F539	I515-S542 WeakPolarHBondContact O-CA 3.26Å; I515-S542 WeakPolarHBondContact O-CB 3.19Å; H516-S542 WeakPolarHBondContact CA-OG 3.48Å; H516-S542 PolarHBondContact O-OG 3.15Å; F539-S542 WeakPolarHBondContact CA-OG 3.46Å; F539-S542 WeakPolarHBondContact CD1-OG 3.27Å; F539-S542 WeakPolarHBondContact O-CB 3.41Å; F539-S542 PolarHBondContact O-N 2.91Å; F539-S542 PolarHBondContact O-OG 2.9Å
543	C	95.9	Very high	92.3	Very high	6 Å²	6	51 Å²	51	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.1	176.7	65.5	0	0	0	0	111.2	V514 I515 E547	V514-C543 WeakPolarHBondContact CA-O 3.26Å; I515-C543 PolarHBondContact N-O 3.4Å; I515-C543 PolarHBondContact O-N 3.4Å; C543-E547 WeakPolarHBondContact CB-O 3.44Å
544	Y	96.2	Very high	92.3	Very high	43 Å²	43	44.6 Å²	44.6	17%	0.169	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	149.4	166.8	-65.5	-93.3	0	0	0	110	I439 K513 V514 N546 E547	I439-Y544 HydrophobicContact CD1-CE2 4.38Å; I439-Y544 HydrophobicContact CG1-CD2 4.41Å; I439-Y544 HydrophobicContact CG1-CE2 3.68Å; K513-Y544 CarbonylContact O-C 3.59Å; K513-Y544 WeakPolarHBondContact O-CA 3.44Å; V514-Y544 HydrophobicContact CG2-CD1 3.81Å; V514-Y544 HydrophobicContact CG2-CE1 3.56Å; V514-Y544 HydrophobicContact CG2-CG 4.48Å; Y544-N546 PolarHBondContact O-N 3.46Å; Y544-N546 VanDerWaalsContact O-N 3.08Å; Y544-E547 CarbonylContact O-C 3.42Å; Y544-E547 WeakPolarHBondContact O-CA 3.19Å; Y544-E547 PolarHBondContact O-N 3.21Å
545	I	93.6	Very high	92.2	Very high	63 Å²	63	45.6 Å²	45.6	32%	0.323	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.3	-175.9	-163.3	166.6	0	0	0	114.5	K513 I515 C548	K513-I545 HydrophobicContact CB-CG2 3.82Å; K513-I545 HydrophobicContact CD-CG2 4.44Å; K513-I545 PolarHBondContact O-N 3.38Å; I515-I545 HydrophobicContact CD1-CB 4.37Å; I515-I545 HydrophobicContact CD1-CG1 4.3Å; I545-C548 PolarHBondContact O-SG 3.17Å
546	N	90.4	Very high	92.2	Very high	145 Å²	145	46.5 Å²	46.5	78%	0.775	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-8.5	176.3	-65.1	-8.9	0	0	0	113.1	Y544	Y544-N546 PolarHBondContact O-N 3.46Å; Y544-N546 VanDerWaalsContact O-N 3.08Å
547	E	90.2	Very high	92.1	Very high	99 Å²	99	47.6 Å²	47.6	46%	0.463	25%	0.249	S	C	.	.			trans	-130	46.8	-165.6	-63.1	176.1	170.7	0	0	109.8	R438 C543 Y544 P549	R438-E547 IonicContact CZ-OE2 2.68Å; R438-E547 IonicContact NH1-OE2 3.29Å; R438-E547 IonicContact NH2-OE2 3.07Å; R438-E547 PolarHBondContact NH2-OE2 3.28Å; C543-E547 WeakPolarHBondContact CB-O 3.44Å; Y544-E547 CarbonylContact O-C 3.42Å; Y544-E547 WeakPolarHBondContact O-CA 3.19Å; Y544-E547 PolarHBondContact O-N 3.21Å; E547-P549 VanDerWaalsContact O-CD 3.24Å; E547-P549 WeakPolarHBondContact O-CD 3.5Å
548	C	85.6	Confident	92.2	Very high	47 Å²	47	45.9 Å²	45.9	32%	0.318	24%	0.24	S	C	.	.			trans	-87.8	104.5	-174.7	-72.8	0	0	0	0	112.3	I545 Y569	I545-C548 PolarHBondContact O-SG 3.17Å; C548-Y569 HydrophobicContact CB-CE1 4.32Å; C548-Y569 HydrophobicContact CB-CE2 4.18Å; C548-Y569 WeakPolarHBondContact CB-OH 3.32Å
549	P	79.8	Confident	92.3	Very high	81 Å²	81	45 Å²	45	53%	0.526	23%	0.234	S	C	.	.			trans	-94.4	-12	-167.9	36.3	-34.2	0	0	0	115.3	E547	E547-P549 VanDerWaalsContact O-CD 3.24Å; E547-P549 WeakPolarHBondContact O-CD 3.5Å
550	Y	82.5	Confident	92.5	Very high	71 Å²	71	44.9 Å²	44.9	28%	0.278	23%	0.234	S	C	.	.			trans	-136.6	127.5	-166.2	-56.1	-44.2	0	0	0	113.2	Y569	Y550-Y569 PolarHBondContact O-OH 3.25Å
551	N	85.7	Confident	92.8	Very high	130 Å²	130	44.5 Å²	44.5	70%	0.695	23%	0.229	S	C	*	.	S	Bend	trans	-84.2	-9.4	176.8	-61.9	-4.4	0	0	0	113.8
552	Y	89.3	Confident	93	Very high	96 Å²	96	42.5 Å²	42.5	38%	0.376	22%	0.215	S	C	.	.	S	Bend	trans	-120.7	94.9	177.9	-176.5	-89.5	0	0	0	109.1	R559	Y552-R559 PolarHBondContact OH-NH2 2.73Å
553	I	92.6	Very high	93.1	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	22%	0.216	C	C	.	.			trans	-131.6	178.5	-176.5	57.6	170.6	0	0	0	110.8	C517 R559 I563 Y569 I573	C517-I553 HydrophobicContact CB-CD1 4.19Å; I553-R559 PolarHBondContact O-NE 3.36Å; I553-R559 PolarHBondContact O-NH2 3.35Å; I553-I563 HydrophobicContact CD1-CD1 3.83Å; I553-I563 HydrophobicContact CD1-CG1 4.48Å; I553-I563 HydrophobicContact CG1-CD1 3.86Å; I553-I563 HydrophobicContact CG1-CG1 4.16Å; I553-I563 HydrophobicContact CG1-CG2 4.03Å; I553-Y569 HydrophobicContact CD1-CD2 3.97Å; I553-Y569 HydrophobicContact CD1-CE1 4.18Å; I553-Y569 HydrophobicContact CD1-CE2 3.49Å; I553-Y569 VanDerWaalsContact CD1-CE2 3.49Å; I553-I573 HydrophobicContact CD1-CD1 3.46Å; I553-I573 VanDerWaalsContact CD1-CD1 3.46Å; I553-I573 HydrophobicContact CG1-CD1 4.48Å
554	Q	96.1	Very high	93.2	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.051	22%	0.216	C	C	.	.	S	Bend	trans	60.5	140.6	-174.8	-57.4	174.2	-64.6	0	0	115.4	C517 Y558 R559 I573 S577	C517-Q554 WeakPolarHBondContact O-CA 3.3Å; C517-Q554 WeakPolarHBondContact O-CG 3.21Å; C517-Q554 PolarHBondContact O-N 2.91Å; Q554-Y558 PolarHBondContact NE2-O 3.34Å; Q554-R559 HydrophobicContact CB-CB 3.96Å; Q554-R559 HydrophobicContact CB-CG 4.19Å; Q554-R559 PolarHBondContact O-NE 2.86Å; Q554-R559 PolarHBondContact O-NH2 3.35Å; Q554-I573 HydrophobicContact CG-CD1 4.24Å; Q554-I573 PolarHBondContact NE2-O 2.92Å; Q554-S577 PolarHBondContact NE2-OG 3.49Å
555	S	94.4	Very high	93.2	Very high	22 Å²	22	40.7 Å²	40.7	15%	0.154	21%	0.207	C	C	.	.			trans	-64.5	133.8	167.4	-66.4	0	0	0	0	110.4	D518 K520 F557 Y558 R559	D518-S555 WeakPolarHBondContact OD1-CB 3.24Å; D518-S555 PolarHBondContact OD1-N 2.97Å; D518-S555 PolarHBondContact OD1-OG 2.76Å; D518-S555 PolarHBondContact OD2-OG 3.19Å; K520-S555 VanDerWaalsContact CD-OG 3.3Å; K520-S555 WeakPolarHBondContact CD-OG 3.27Å; K520-S555 PolarHBondContact NZ-OG 3.39Å; K520-S555 VanDerWaalsContact NZ-OG 3.1Å; S555-F557 PolarHBondContact O-N 2.68Å; S555-F557 VanDerWaalsContact O-N 3.16Å; S555-Y558 PolarHBondContact O-N 2.99Å; S555-R559 PolarHBondContact O-N 3.05Å
556	R	96	Very high	93.3	Very high	21 Å²	21	38.6 Å²	38.6	8%	0.079	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-53.3	-45.5	-155.3	-163.5	-167.7	-57.4	114.3	11.2	115.6	Y558 R559 G594 E595 Q600	R556-Y558 PolarHBondContact O-N 3.14Å; R556-R559 VanDerWaalsContact O-CB 3.32Å; R556-R559 WeakPolarHBondContact O-CB 3.11Å; R556-R559 PolarHBondContact O-N 3.39Å; R556-G594 VanDerWaalsContact CD-O 3.24Å; R556-G594 WeakPolarHBondContact CD-O 3.26Å; R556-G594 PolarHBondContact NH1-O 2.85Å; R556-G594 VanDerWaalsContact NH1-O 3.08Å; R556-E595 PolarHBondContact NH1-O 3.19Å; R556-E595 VanDerWaalsContact NH1-O 3.09Å; R556-Q600 HydrophobicContact CG-CB 4.29Å; R556-Q600 HydrophobicContact CG-CG 4.18Å; R556-Q600 PolarHBondContact O-NE2 3.02Å; R556-Q600 PolarHBondContact O-OE1 2.85Å
557	F	97.5	Very high	93.6	Very high	25 Å²	25	33 Å²	33	11%	0.11	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-64.9	-23.2	-177.2	-64.9	-9.3	0	0	0	113.4	Y45 S555 C580 P590 F592 P593 G594	Y45-F557 HydrophobicContact CE2-CE2 4.07Å; Y45-F557 HydrophobicContact CE2-CZ 4.23Å; Y45-F557 AromaticContact CZ-CE2 3.93Å; Y45-F557 VanDerWaalsContact OH-CD1 3.25Å; Y45-F557 WeakPolarHBondContact OH-CD1 3.45Å; Y45-F557 WeakPolarHBondContact OH-CD2 3.39Å; Y45-F557 VanDerWaalsContact OH-CE1 3.22Å; Y45-F557 WeakPolarHBondContact OH-CE1 3.5Å; Y45-F557 WeakPolarHBondContact OH-CE2 3.3Å; Y45-F557 WeakPolarHBondContact OH-CG 3.38Å; Y45-F557 WeakPolarHBondContact OH-CZ 3.38Å; S555-F557 PolarHBondContact O-N 2.68Å; S555-F557 VanDerWaalsContact O-N 3.16Å; F557-C580 PolarHBondContact O-SG 2.95Å; F557-P590 HydrophobicContact CB-CB 4.31Å; F557-P590 HydrophobicContact CD2-CB 3.43Å; F557-P590 VanDerWaalsContact CD2-CB 3.43Å; F557-P590 HydrophobicContact CD2-CG 3.45Å; F557-P590 VanDerWaalsContact CD2-CG 3.45Å; F557-P590 HydrophobicContact CE2-CB 3.95Å; F557-P590 HydrophobicContact CE2-CG 3.57Å; F557-P590 HydrophobicContact CG-CB 4.09Å; F557-F592 WeakPolarHBondContact CD1-O 3.33Å; F557-P593 VanDerWaalsContact CE1-CA 3.46Å; F557-P593 HydrophobicContact CE1-CB 4.19Å; F557-P593 HydrophobicContact CE2-CB 4.39Å; F557-P593 HydrophobicContact CZ-CB 4.02Å; F557-G594 WeakPolarHBondContact CE1-O 3.32Å
558	Y	98.5	Very high	93.8	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.012	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-107.8	9.1	-177.4	-34.4	-78.1	0	0	0	112.1	K520 P521 Q554 S555 R556 S577 C580 I581 E584	K520-Y558 HydrophobicContact CB-CD2 3.53Å; K520-Y558 HydrophobicContact CB-CE2 3.45Å; K520-Y558 VanDerWaalsContact CB-CE2 3.45Å; K520-Y558 HydrophobicContact CB-CG 4.25Å; P521-Y558 VanDerWaalsContact CD-OH 3.27Å; P521-Y558 WeakPolarHBondContact CD-OH 3.36Å; P521-Y558 HydrophobicContact CG-CE1 4.15Å; Q554-Y558 PolarHBondContact NE2-O 3.34Å; S555-Y558 PolarHBondContact O-N 2.99Å; R556-Y558 PolarHBondContact O-N 3.14Å; Y558-S577 WeakPolarHBondContact O-CA 3.37Å; Y558-S577 PolarHBondContact O-OG 3.29Å; Y558-C580 HydrophobicContact CD1-CB 3.82Å; Y558-I581 HydrophobicContact CD1-CG1 3.93Å; Y558-I581 HydrophobicContact CE1-CG1 4.27Å; Y558-E584 PolarHBondContact OH-OE2 3.36Å
559	R	98.4	Very high	94.3	Very high	6 Å²	6	33.4 Å²	33.4	2%	0.023	18%	0.178	C	C	.	.			trans	-78.2	132.4	-177.3	-178.9	179.7	-67.1	154.8	2	111.9	Y552 I553 Q554 S555 R556 I563 I564 W576	Y552-R559 PolarHBondContact OH-NH2 2.73Å; I553-R559 PolarHBondContact O-NE 3.36Å; I553-R559 PolarHBondContact O-NH2 3.35Å; Q554-R559 HydrophobicContact CB-CB 3.96Å; Q554-R559 HydrophobicContact CB-CG 4.19Å; Q554-R559 PolarHBondContact O-NE 2.86Å; Q554-R559 PolarHBondContact O-NH2 3.35Å; S555-R559 PolarHBondContact O-N 3.05Å; R556-R559 VanDerWaalsContact O-CB 3.32Å; R556-R559 WeakPolarHBondContact O-CB 3.11Å; R556-R559 PolarHBondContact O-N 3.39Å; R559-I563 HydrophobicContact CG-CB 3.89Å; R559-I563 HydrophobicContact CG-CG2 3.97Å; R559-I564 HydrophobicContact CG-CG1 4.04Å; R559-W576 PolarHBondContact O-NE1 3.28Å
560	A	98.6	Very high	95.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.			trans	-73	148.2	179.1	0	0	0	0	0	112.6	E562 I563 I564 I573 W576	A560-E562 VanDerWaalsContact C-N 3.3Å; A560-E562 HydrophobicContact CB-CG 4.21Å; A560-E562 PolarHBondContact O-N 3.19Å; A560-I563 HydrophobicContact CB-CG1 4.47Å; A560-I563 WeakPolarHBondContact O-CB 3.28Å; A560-I563 PolarHBondContact O-N 3.35Å; A560-I563 VanDerWaalsContact O-N 3.14Å; A560-I564 PolarHBondContact O-N 2.96Å; A560-I573 HydrophobicContact CB-CB 3.9Å; A560-I573 HydrophobicContact CB-CG2 3.91Å; A560-W576 VanDerWaalsContact CA-CD1 3.46Å; A560-W576 HydrophobicContact CB-CB 3.86Å; A560-W576 HydrophobicContact CB-CD2 4.39Å; A560-W576 HydrophobicContact CB-CG 3.8Å
561	P	98.3	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-33.2	-175	25.5	-34.5	0	0	0	112.7	I563 I564 L565 W576 L601 W733	P561-I563 PolarHBondContact O-N 2.9Å; P561-I564 PolarHBondContact O-N 2.81Å; P561-L565 WeakPolarHBondContact O-CB 3.48Å; P561-L565 VanDerWaalsContact O-CG 3.28Å; P561-L565 WeakPolarHBondContact O-CG 3.47Å; P561-L565 PolarHBondContact O-N 3.48Å; P561-W576 HydrophobicContact CG-CE3 4.15Å; P561-W576 HydrophobicContact CG-CH2 3.95Å; P561-W576 HydrophobicContact CG-CZ2 4.42Å; P561-W576 HydrophobicContact CG-CZ3 3.78Å; P561-L601 HydrophobicContact CB-CD1 4.4Å; P561-W733 HydrophobicContact CB-CE3 3.61Å; P561-W733 HydrophobicContact CB-CZ3 3.47Å; P561-W733 VanDerWaalsContact CB-CZ3 3.47Å; P561-W733 HydrophobicContact CG-CE3 3.76Å; P561-W733 HydrophobicContact CG-CZ3 4.1Å
562	E	97.9	Very high	96.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-34.7	174.8	56.7	-92.1	-147.6	0	0	113.3	A560 G566 L567 I573 R738	A560-E562 VanDerWaalsContact C-N 3.3Å; A560-E562 HydrophobicContact CB-CG 4.21Å; A560-E562 PolarHBondContact O-N 3.19Å; E562-G566 PolarHBondContact O-N 3.2Å; E562-L567 HydrophobicContact CB-CB 3.96Å; E562-L567 HydrophobicContact CB-CD1 4.29Å; E562-L567 PolarHBondContact O-N 2.82Å; E562-I573 HydrophobicContact CG-CG2 4.04Å; E562-I573 WeakPolarHBondContact OE1-CG2 3.33Å; E562-R738 IonicContact OE1-CZ 3.27Å; E562-R738 IonicContact OE1-NH1 2.77Å; E562-R738 PolarHBondContact OE1-NH1 3.13Å; E562-R738 IonicContact OE1-NH2 2.93Å; E562-R738 PolarHBondContact OE1-NH2 2.77Å; E562-R738 IonicContact OE2-CZ 3.52Å; E562-R738 IonicContact OE2-NH1 3.59Å; E562-R738 IonicContact OE2-NH2 2.7Å; E562-R738 PolarHBondContact OE2-NH2 2.72Å
563	I	97.6	Very high	96.8	Very high	11 Å²	11	18.4 Å²	18.4	6%	0.056	11%	0.109	C	C	.	.	H	α-helix	trans	-70.1	-39.6	175	-55.6	-57.1	0	0	0	110.8	I553 R559 A560 P561 G566 Y569 I573	I553-I563 HydrophobicContact CD1-CD1 3.83Å; I553-I563 HydrophobicContact CD1-CG1 4.48Å; I553-I563 HydrophobicContact CG1-CD1 3.86Å; I553-I563 HydrophobicContact CG1-CG1 4.16Å; I553-I563 HydrophobicContact CG1-CG2 4.03Å; R559-I563 HydrophobicContact CG-CB 3.89Å; R559-I563 HydrophobicContact CG-CG2 3.97Å; A560-I563 HydrophobicContact CB-CG1 4.47Å; A560-I563 WeakPolarHBondContact O-CB 3.28Å; A560-I563 PolarHBondContact O-N 3.35Å; A560-I563 VanDerWaalsContact O-N 3.14Å; P561-I563 PolarHBondContact O-N 2.9Å; I563-G566 PolarHBondContact O-N 3.34Å; I563-Y569 VanDerWaalsContact CD1-CB 3.5Å; I563-Y569 HydrophobicContact CD1-CD1 3.55Å; I563-Y569 HydrophobicContact CD1-CD2 4.11Å; I563-Y569 HydrophobicContact CD1-CE1 4.26Å; I563-Y569 HydrophobicContact CD1-CG 3.46Å; I563-Y569 VanDerWaalsContact CD1-CG 3.46Å; I563-I573 HydrophobicContact CD1-CG2 4.18Å; I563-I573 HydrophobicContact CG1-CG2 4.2Å
564	I	97.6	Very high	97.1	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-68.8	-40.8	179.3	-58.5	173.4	0	0	0	110.8	R559 A560 P561 G566 A597 Q600 L601 I604 Q621 Y625	R559-I564 HydrophobicContact CG-CG1 4.04Å; A560-I564 PolarHBondContact O-N 2.96Å; P561-I564 PolarHBondContact O-N 2.81Å; I564-G566 VanDerWaalsContact C-N 3.29Å; I564-G566 PolarHBondContact O-N 3.24Å; I564-A597 HydrophobicContact CG2-CB 4.47Å; I564-Q600 HydrophobicContact CD1-CB 4.21Å; I564-Q600 HydrophobicContact CD1-CG 3.72Å; I564-L601 HydrophobicContact CB-CD1 4.29Å; I564-L601 HydrophobicContact CD1-CD1 4.23Å; I564-L601 HydrophobicContact CG2-CB 4.24Å; I564-L601 HydrophobicContact CG2-CD1 4.07Å; I564-L601 HydrophobicContact CG2-CD2 4.5Å; I564-I604 HydrophobicContact CD1-CD1 4.05Å; I564-Q621 WeakPolarHBondContact O-CB 3.48Å; I564-Y625 HydrophobicContact CG2-CE1 4.1Å; I564-Y625 HydrophobicContact CG2-CE2 3.9Å; I564-Y625 VanDerWaalsContact O-CE2 3.22Å; I564-Y625 WeakPolarHBondContact O-CE2 3.22Å; I564-Y625 PolarHBondContact O-OH 3.33Å
565	L	97	Very high	97.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-76.3	-12.9	178.3	-62.2	175.4	0	0	0	113.4	P561 L567 L601 M615 G619 S620 Q621 Y625 F626	P561-L565 WeakPolarHBondContact O-CB 3.48Å; P561-L565 VanDerWaalsContact O-CG 3.28Å; P561-L565 WeakPolarHBondContact O-CG 3.47Å; P561-L565 PolarHBondContact O-N 3.48Å; L565-L567 HydrophobicContact CB-CD1 4.15Å; L565-L567 HydrophobicContact CB-CG 4.16Å; L565-L567 HydrophobicContact CD1-CD1 4.02Å; L565-L601 HydrophobicContact CD2-CD2 4Å; L565-M615 HydrophobicContact CD1-CB 4.27Å; L565-M615 HydrophobicContact CD1-CE 4.1Å; L565-G619 CarbonylContact O-C 3.58Å; L565-G619 VanDerWaalsContact O-CA 3.24Å; L565-G619 WeakPolarHBondContact O-CA 3.34Å; L565-S620 PolarHBondContact O-N 3.15Å; L565-S620 VanDerWaalsContact O-N 3.09Å; L565-Q621 WeakPolarHBondContact O-CB 3.24Å; L565-Q621 PolarHBondContact O-N 2.97Å; L565-Y625 HydrophobicContact CD2-CD2 4.36Å; L565-F626 HydrophobicContact CD2-CE2 3.78Å
566	G	95.9	Very high	97.5	Very high	20 Å²	20	16.3 Å²	16.3	21%	0.206	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	52.1	-174.2	0	0	0	0	0	112.2	E562 I563 I564 S620	E562-G566 PolarHBondContact O-N 3.2Å; I563-G566 PolarHBondContact O-N 3.34Å; I564-G566 VanDerWaalsContact C-N 3.29Å; I564-G566 PolarHBondContact O-N 3.24Å; G566-S620 PolarHBondContact O-N 3.29Å; G566-S620 PolarHBondContact O-OG 2.99Å
567	L	95.7	Very high	97.6	Very high	26 Å²	26	15.3 Å²	15.3	14%	0.136	9%	0.093	C	C	.	.			trans	-94.9	165.8	167.9	-72.3	169	0	0	0	110.1	E562 L565 M615 K618	E562-L567 HydrophobicContact CB-CB 3.96Å; E562-L567 HydrophobicContact CB-CD1 4.29Å; E562-L567 PolarHBondContact O-N 2.82Å; L565-L567 HydrophobicContact CB-CD1 4.15Å; L565-L567 HydrophobicContact CB-CG 4.16Å; L565-L567 HydrophobicContact CD1-CD1 4.02Å; L567-M615 HydrophobicContact CD1-CB 4.09Å; L567-M615 HydrophobicContact CD1-CE 3.86Å; L567-M615 HydrophobicContact CD1-CG 4.34Å; L567-K618 VanDerWaalsContact CD2-C 3.49Å; L567-K618 HydrophobicContact CD2-CB 3.52Å
568	P	94.3	Very high	97.7	Very high	118 Å²	118	14.1 Å²	14.1	77%	0.766	9%	0.088	S	C	*	.			trans	-56.3	147.4	164.5	-21.9	34	0	0	0	111.2
569	Y	96	Very high	97.7	Very high	38 Å²	38	14 Å²	14	15%	0.149	9%	0.087	C	C	.	.			trans	-135.7	161.9	-177.3	73	-97.6	0	0	0	112.2	I515 C548 Y550 I553 I563 I573	I515-Y569 HydrophobicContact CD1-CD2 4.07Å; I515-Y569 HydrophobicContact CD1-CE2 3.95Å; C548-Y569 HydrophobicContact CB-CE1 4.32Å; C548-Y569 HydrophobicContact CB-CE2 4.18Å; C548-Y569 WeakPolarHBondContact CB-OH 3.32Å; Y550-Y569 PolarHBondContact O-OH 3.25Å; I553-Y569 HydrophobicContact CD1-CD2 3.97Å; I553-Y569 HydrophobicContact CD1-CE1 4.18Å; I553-Y569 HydrophobicContact CD1-CE2 3.49Å; I553-Y569 VanDerWaalsContact CD1-CE2 3.49Å; I563-Y569 VanDerWaalsContact CD1-CB 3.5Å; I563-Y569 HydrophobicContact CD1-CD1 3.55Å; I563-Y569 HydrophobicContact CD1-CD2 4.11Å; I563-Y569 HydrophobicContact CD1-CE1 4.26Å; I563-Y569 HydrophobicContact CD1-CG 3.46Å; I563-Y569 VanDerWaalsContact CD1-CG 3.46Å; Y569-I573 HydrophobicContact CD2-CD1 4.01Å; Y569-I573 HydrophobicContact CE2-CD1 4.39Å
570	G	96.5	Very high	97.7	Very high	9 Å²	9	13.9 Å²	13.9	9%	0.093	9%	0.087	C	C	.	.			trans	-156.7	-157.6	-179.9	0	0	0	0	0	111.5	P572 I573	G570-P572 VanDerWaalsContact C-N 3.28Å; G570-I573 WeakPolarHBondContact O-CG1 3.35Å; G570-I573 PolarHBondContact O-N 3.1Å
571	T	97.4	Very high	97.7	Very high	22 Å²	22	13.9 Å²	13.9	14%	0.135	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.5	176.7	51.1	0	0	0	0	116.3	Y510 V514 I515 I573 D574	Y510-T571 HydrophobicContact CD2-CG2 4.38Å; V514-T571 WeakPolarHBondContact O-CG2 3.26Å; I515-T571 HydrophobicContact CG1-CG2 4.05Å; T571-I573 PolarHBondContact O-N 3.16Å; T571-I573 VanDerWaalsContact O-N 3.09Å; T571-D574 PolarHBondContact O-N 3.4Å
572	P	98.4	Very high	97.6	Very high	31 Å²	31	13.9 Å²	13.9	20%	0.201	9%	0.087	C	C	.	.	H	α-helix	trans	-60.2	-17.5	175	-28.4	37.9	0	0	0	115.5	G570 D574 M575 W576 P735 R738	G570-P572 VanDerWaalsContact C-N 3.28Å; P572-D574 VanDerWaalsContact C-N 3.3Å; P572-D574 PolarHBondContact O-N 2.97Å; P572-M575 PolarHBondContact O-N 2.89Å; P572-W576 PolarHBondContact O-N 3.21Å; P572-W576 VanDerWaalsContact O-N 3.14Å; P572-P735 HydrophobicContact CB-CB 3.79Å; P572-P735 HydrophobicContact CG-CB 4.14Å; P572-R738 WeakPolarHBondContact O-CD 3.44Å; P572-R738 PolarHBondContact O-NH1 3.39Å
573	I	98.6	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.2	-33	178.4	74.6	177.6	0	0	0	112.2	I515 I553 Q554 A560 E562 I563 Y569 G570 T571 W576 S577	I515-I573 HydrophobicContact CG2-CD1 3.62Å; I515-I573 HydrophobicContact CG2-CG1 3.66Å; I553-I573 HydrophobicContact CD1-CD1 3.46Å; I553-I573 VanDerWaalsContact CD1-CD1 3.46Å; I553-I573 HydrophobicContact CG1-CD1 4.48Å; Q554-I573 HydrophobicContact CG-CD1 4.24Å; Q554-I573 PolarHBondContact NE2-O 2.92Å; A560-I573 HydrophobicContact CB-CB 3.9Å; A560-I573 HydrophobicContact CB-CG2 3.91Å; E562-I573 HydrophobicContact CG-CG2 4.04Å; E562-I573 WeakPolarHBondContact OE1-CG2 3.33Å; I563-I573 HydrophobicContact CD1-CG2 4.18Å; I563-I573 HydrophobicContact CG1-CG2 4.2Å; Y569-I573 HydrophobicContact CD2-CD1 4.01Å; Y569-I573 HydrophobicContact CE2-CD1 4.39Å; G570-I573 WeakPolarHBondContact O-CG1 3.35Å; G570-I573 PolarHBondContact O-N 3.1Å; T571-I573 PolarHBondContact O-N 3.16Å; T571-I573 VanDerWaalsContact O-N 3.09Å; I573-W576 WeakPolarHBondContact O-CB 3.49Å; I573-W576 PolarHBondContact O-N 3.3Å; I573-S577 PolarHBondContact O-N 3.45Å; I573-S577 PolarHBondContact O-OG 3.42Å
574	D	98.7	Very high	97.5	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-77.3	-27.9	-179.7	-59.9	-45	0	0	0	111.4	L506 I515 H516 C517 T571 P572 S577 L578	L506-D574 HydrophobicContact CD2-CB 3.94Å; I515-D574 VanDerWaalsContact CG2-OD2 3.26Å; I515-D574 WeakPolarHBondContact CG2-OD2 3.48Å; H516-D574 WeakPolarHBondContact CB-OD1 3.48Å; H516-D574 PolarHBondContact N-OD2 2.97Å; C517-D574 PolarHBondContact N-OD1 3.44Å; T571-D574 PolarHBondContact O-N 3.4Å; P572-D574 VanDerWaalsContact C-N 3.3Å; P572-D574 PolarHBondContact O-N 2.97Å; D574-S577 WeakPolarHBondContact O-CB 3.36Å; D574-S577 PolarHBondContact O-N 2.75Å; D574-L578 PolarHBondContact O-N 3.32Å
575	M	98.8	Very high	97.4	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-69.7	-34.9	170.4	-70.8	-60.3	-66.4	0	0	111.9	L503 L506 P572 L578 G579 M739 P741 A744	L503-M575 HydrophobicContact CD2-CE 4.12Å; L503-M575 HydrophobicContact CD2-SD 4.19Å; L506-M575 HydrophobicContact CD1-SD 3.74Å; P572-M575 PolarHBondContact O-N 2.89Å; M575-L578 HydrophobicContact CE-CD2 4.15Å; M575-L578 WeakPolarHBondContact O-CB 3.31Å; M575-L578 PolarHBondContact O-N 3.37Å; M575-L578 HydrophobicContact SD-CD2 4.08Å; M575-G579 PolarHBondContact O-N 2.97Å; M575-M739 VanDerWaalsContact CE-O 3.26Å; M575-M739 WeakPolarHBondContact CE-O 3.37Å; M575-M739 WeakPolarHBondContact CG-O 3.41Å; M575-P741 HydrophobicContact CG-CG 4.21Å; M575-P741 HydrophobicContact SD-CB 4.42Å; M575-P741 HydrophobicContact SD-CG 3.79Å; M575-A744 HydrophobicContact CE-CB 3.62Å
576	W	98.9	Very high	97.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63	-46.8	168.1	177.9	-80	0	0	0	111.5	R559 A560 P561 P572 I573 L578 G579 C580 F592 I604 L608 L731	R559-W576 PolarHBondContact O-NE1 3.28Å; A560-W576 VanDerWaalsContact CA-CD1 3.46Å; A560-W576 HydrophobicContact CB-CB 3.86Å; A560-W576 HydrophobicContact CB-CD2 4.39Å; A560-W576 HydrophobicContact CB-CG 3.8Å; P561-W576 HydrophobicContact CG-CE3 4.15Å; P561-W576 HydrophobicContact CG-CH2 3.95Å; P561-W576 HydrophobicContact CG-CZ2 4.42Å; P561-W576 HydrophobicContact CG-CZ3 3.78Å; P572-W576 PolarHBondContact O-N 3.21Å; P572-W576 VanDerWaalsContact O-N 3.14Å; I573-W576 WeakPolarHBondContact O-CB 3.49Å; I573-W576 PolarHBondContact O-N 3.3Å; W576-L578 VanDerWaalsContact C-N 3.26Å; W576-L578 PolarHBondContact O-N 2.87Å; W576-G579 PolarHBondContact O-N 3.03Å; W576-G579 VanDerWaalsContact O-N 3.09Å; W576-C580 PolarHBondContact O-N 3.05Å; W576-C580 VanDerWaalsContact O-N 3.08Å; W576-F592 HydrophobicContact CH2-CE2 4.34Å; W576-F592 HydrophobicContact CZ2-CD2 4.23Å; W576-F592 AromaticContact CZ2-CE2 3.65Å; W576-F592 HydrophobicContact CZ2-CE2 3.65Å; W576-F592 HydrophobicContact CZ2-CZ 4.29Å; W576-I604 HydrophobicContact CH2-CD1 4.49Å; W576-I604 HydrophobicContact CH2-CG2 3.61Å; W576-I604 HydrophobicContact CZ2-CD1 3.79Å; W576-I604 HydrophobicContact CZ2-CG1 4.01Å; W576-I604 HydrophobicContact CZ2-CG2 3.88Å; W576-L608 HydrophobicContact CH2-CD1 3.66Å; W576-L608 HydrophobicContact CZ3-CD1 4.15Å; W576-L731 HydrophobicContact CD2-CD2 4.03Å; W576-L731 HydrophobicContact CE3-CD2 4.14Å; W576-L731 HydrophobicContact CZ2-CD2 4.38Å; W576-L731 HydrophobicContact CZ3-CB 4.45Å; W576-L731 HydrophobicContact CZ3-CD2 4.39Å; W576-L731 WeakPolarHBondContact CZ3-O 3.44Å
577	S	98.8	Very high	97	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-41.6	174.4	-60.7	0	0	0	0	111.6	Q554 Y558 I573 D574 G579 C580 I581	Q554-S577 PolarHBondContact NE2-OG 3.49Å; Y558-S577 WeakPolarHBondContact O-CA 3.37Å; Y558-S577 PolarHBondContact O-OG 3.29Å; I573-S577 PolarHBondContact O-N 3.45Å; I573-S577 PolarHBondContact O-OG 3.42Å; D574-S577 WeakPolarHBondContact O-CB 3.36Å; D574-S577 PolarHBondContact O-N 2.75Å; S577-G579 VanDerWaalsContact C-N 3.34Å; S577-G579 PolarHBondContact O-N 2.86Å; S577-C580 PolarHBondContact O-N 2.94Å; S577-I581 WeakPolarHBondContact O-CB 3.44Å; S577-I581 VanDerWaalsContact O-CD1 3.32Å; S577-I581 WeakPolarHBondContact O-CD1 3.36Å; S577-I581 WeakPolarHBondContact O-CG1 3.23Å; S577-I581 PolarHBondContact O-N 2.88Å
578	L	98.8	Very high	96.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.3	-42	174.8	-178.5	62.5	0	0	0	112.3	T499 I502 L503 L506 L519 D574 M575 W576 I581 L582 F726	T499-L578 HydrophobicContact CG2-CD1 4.2Å; T499-L578 HydrophobicContact CG2-CD2 4.27Å; T499-L578 HydrophobicContact CG2-CG 4.49Å; I502-L578 HydrophobicContact CB-CD1 4.08Å; I502-L578 HydrophobicContact CD1-CD1 4Å; I502-L578 HydrophobicContact CG2-CD1 3.8Å; L503-L578 HydrophobicContact CD2-CD2 3.48Å; L503-L578 VanDerWaalsContact CD2-CD2 3.48Å; L503-L578 HydrophobicContact CG-CD2 4.01Å; L506-L578 HydrophobicContact CD1-CB 4.32Å; L506-L578 HydrophobicContact CD1-CD2 4.06Å; L519-L578 HydrophobicContact CD2-CB 4.45Å; D574-L578 PolarHBondContact O-N 3.32Å; M575-L578 HydrophobicContact CE-CD2 4.15Å; M575-L578 WeakPolarHBondContact O-CB 3.31Å; M575-L578 PolarHBondContact O-N 3.37Å; M575-L578 HydrophobicContact SD-CD2 4.08Å; W576-L578 VanDerWaalsContact C-N 3.26Å; W576-L578 PolarHBondContact O-N 2.87Å; L578-I581 PolarHBondContact O-N 3.14Å; L578-L582 VanDerWaalsContact O-CB 3.23Å; L578-L582 WeakPolarHBondContact O-CB 3.36Å; L578-L582 PolarHBondContact O-N 3.33Å; L578-F726 HydrophobicContact CD2-CZ 4.33Å
579	G	98.6	Very high	96.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.3	-47.5	174.6	0	0	0	0	0	112.5	M575 W576 S577 I581 L582 A583 L727	M575-G579 PolarHBondContact O-N 2.97Å; W576-G579 PolarHBondContact O-N 3.03Å; W576-G579 VanDerWaalsContact O-N 3.09Å; S577-G579 VanDerWaalsContact C-N 3.34Å; S577-G579 PolarHBondContact O-N 2.86Å; G579-I581 PolarHBondContact O-N 3.45Å; G579-L582 PolarHBondContact O-N 3.07Å; G579-A583 PolarHBondContact O-N 3.22Å; G579-L727 WeakPolarHBondContact O-CD2 3.49Å
580	C	98.6	Very high	96.8	Very high	3 Å²	3	8 Å²	8	2%	0.02	5%	0.047	C	C	.	.	H	α-helix	trans	-61.7	-41.9	175.3	-65.5	0	0	0	0	112.9	F557 Y558 W576 S577 A583 E584 F592	F557-C580 PolarHBondContact O-SG 2.95Å; Y558-C580 HydrophobicContact CD1-CB 3.82Å; W576-C580 PolarHBondContact O-N 3.05Å; W576-C580 VanDerWaalsContact O-N 3.08Å; S577-C580 PolarHBondContact O-N 2.94Å; C580-A583 PolarHBondContact O-N 3.49Å; C580-E584 PolarHBondContact O-N 3.16Å; C580-F592 VanDerWaalsContact SG-CD2 3.56Å
581	I	98.5	Very high	96.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-43.6	178.8	-70.6	162.6	0	0	0	111.1	I502 L519 P521 I524 Y558 S577 L578 G579 E584 F585	I502-I581 HydrophobicContact CD1-CG2 4.41Å; L519-I581 HydrophobicContact CB-CD1 4.48Å; L519-I581 HydrophobicContact CD2-CD1 3.96Å; L519-I581 HydrophobicContact CG-CD1 3.75Å; P521-I581 HydrophobicContact CG-CG1 4.22Å; P521-I581 HydrophobicContact CG-CG2 4.44Å; I524-I581 HydrophobicContact CD1-CD1 4.21Å; I524-I581 HydrophobicContact CD1-CG2 4.38Å; Y558-I581 HydrophobicContact CD1-CG1 3.93Å; Y558-I581 HydrophobicContact CE1-CG1 4.27Å; S577-I581 WeakPolarHBondContact O-CB 3.44Å; S577-I581 VanDerWaalsContact O-CD1 3.32Å; S577-I581 WeakPolarHBondContact O-CD1 3.36Å; S577-I581 WeakPolarHBondContact O-CG1 3.23Å; S577-I581 PolarHBondContact O-N 2.88Å; L578-I581 PolarHBondContact O-N 3.14Å; G579-I581 PolarHBondContact O-N 3.45Å; I581-E584 PolarHBondContact O-N 3.09Å; I581-F585 HydrophobicContact CG2-CD1 4.28Å; I581-F585 HydrophobicContact CG2-CD2 4.19Å; I581-F585 HydrophobicContact CG2-CE1 3.65Å; I581-F585 HydrophobicContact CG2-CE2 3.55Å; I581-F585 HydrophobicContact CG2-CZ 3.22Å; I581-F585 WeakPolarHBondContact O-CD1 3.38Å; I581-F585 VanDerWaalsContact O-CG 3.29Å; I581-F585 WeakPolarHBondContact O-CG 3.28Å; I581-F585 PolarHBondContact O-N 3.08Å
582	L	97.5	Very high	96.8	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.1	-45.1	176.9	170.8	51.8	0	0	0	111.1	V495 L578 G579 E584 F585 I586 F726 L727 W749	V495-L582 HydrophobicContact CG1-CD1 3.1Å; L578-L582 VanDerWaalsContact O-CB 3.23Å; L578-L582 WeakPolarHBondContact O-CB 3.36Å; L578-L582 PolarHBondContact O-N 3.33Å; G579-L582 PolarHBondContact O-N 3.07Å; L582-E584 PolarHBondContact O-N 3.21Å; L582-F585 WeakPolarHBondContact O-CB 3.29Å; L582-F585 PolarHBondContact O-N 2.96Å; L582-I586 HydrophobicContact CD1-CD1 4.05Å; L582-I586 HydrophobicContact CD1-CG1 4.42Å; L582-I586 HydrophobicContact CG-CD1 4.31Å; L582-I586 WeakPolarHBondContact O-CD1 3.48Å; L582-I586 WeakPolarHBondContact O-CG1 3.42Å; L582-I586 PolarHBondContact O-N 3.47Å; L582-I586 VanDerWaalsContact O-N 3.13Å; L582-F726 HydrophobicContact CD2-CD1 3.42Å; L582-F726 VanDerWaalsContact CD2-CD1 3.42Å; L582-F726 HydrophobicContact CD2-CE1 3.59Å; L582-L727 HydrophobicContact CB-CD2 3.91Å; L582-L727 HydrophobicContact CD2-CD1 4.45Å; L582-L727 HydrophobicContact CD2-CD2 3.68Å; L582-L727 HydrophobicContact CD2-CG 3.68Å; L582-L727 HydrophobicContact CG-CD1 4.27Å; L582-L727 HydrophobicContact CG-CD2 3.65Å; L582-L727 HydrophobicContact CG-CG 3.91Å; L582-W749 HydrophobicContact CD1-CH2 3.64Å; L582-W749 HydrophobicContact CD1-CZ2 4.37Å; L582-W749 HydrophobicContact CD1-CZ3 4.35Å; L582-W749 HydrophobicContact CD2-CH2 3.95Å; L582-W749 HydrophobicContact CD2-CZ3 3.82Å; L582-W749 HydrophobicContact CG-CH2 4.49Å
583	A	96.4	Very high	96.6	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-60.3	-44.9	174	0	0	0	0	0	112.4	G579 C580 F585 I586 T587 L591 L693 L727	G579-A583 PolarHBondContact O-N 3.22Å; C580-A583 PolarHBondContact O-N 3.49Å; A583-F585 VanDerWaalsContact C-N 3.31Å; A583-F585 PolarHBondContact O-N 3.06Å; A583-I586 WeakPolarHBondContact O-CB 3.39Å; A583-I586 PolarHBondContact O-N 3.46Å; A583-I586 VanDerWaalsContact O-N 3.08Å; A583-T587 PolarHBondContact O-N 2.99Å; A583-T587 VanDerWaalsContact O-N 3.07Å; A583-T587 PolarHBondContact O-OG1 3.4Å; A583-T587 VanDerWaalsContact O-OG1 3.06Å; A583-L591 HydrophobicContact CB-CB 3.75Å; A583-L591 HydrophobicContact CB-CD1 4.2Å; A583-L591 HydrophobicContact CB-CD2 3.79Å; A583-L591 HydrophobicContact CB-CG 4.13Å; A583-L693 HydrophobicContact CB-CD2 3.72Å; A583-L727 HydrophobicContact CB-CD2 4.46Å
584	E	95.9	Very high	96.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.3	-28.3	176.1	-177.6	158.1	-158.2	0	0	113.1	R41 I482 Y558 C580 I581 L582 I586 G588 E589 P590	R41-E584 IonicContact CZ-OE1 2.72Å; R41-E584 IonicContact NH2-OE1 2.75Å; R41-E584 PolarHBondContact NH2-OE1 3.41Å; I482-E584 HydrophobicContact CD1-CG 4.02Å; Y558-E584 PolarHBondContact OH-OE2 3.36Å; C580-E584 PolarHBondContact O-N 3.16Å; I581-E584 PolarHBondContact O-N 3.09Å; L582-E584 PolarHBondContact O-N 3.21Å; E584-I586 VanDerWaalsContact C-N 3.33Å; E584-G588 WeakPolarHBondContact O-CA 3.5Å; E584-G588 PolarHBondContact O-N 2.99Å; E584-E589 WeakPolarHBondContact CA-O 3.42Å; E584-P590 VanDerWaalsContact OE1-CD 3.29Å; E584-P590 WeakPolarHBondContact OE1-CD 3.29Å; E584-P590 WeakPolarHBondContact OE1-CG 3.43Å
585	F	95.1	Very high	96	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-67.1	-32.1	169.7	-67.6	-12.6	0	0	0	112.7	L478 I482 G489 F490 V495 L498 I502 P521 I581 L582 A583	L478-F585 HydrophobicContact CB-CE1 4.05Å; L478-F585 HydrophobicContact CB-CZ 4.28Å; L478-F585 HydrophobicContact CD1-CE1 3.99Å; L478-F585 HydrophobicContact CD1-CE2 4.18Å; L478-F585 HydrophobicContact CD1-CZ 3.39Å; L478-F585 HydrophobicContact CG-CZ 4.47Å; I482-F585 HydrophobicContact CD1-CD1 4.14Å; I482-F585 HydrophobicContact CD1-CE1 4.39Å; G489-F585 CarbonylContact C-O 3.59Å; F490-F585 HydrophobicContact CD2-CB 3.94Å; F490-F585 HydrophobicContact CD2-CD1 4.19Å; F490-F585 HydrophobicContact CD2-CG 4.1Å; F490-F585 HydrophobicContact CE2-CB 4.5Å; F490-F585 AromaticContact CE2-CD1 3.91Å; F490-F585 HydrophobicContact CE2-CD1 3.91Å; F490-F585 HydrophobicContact CE2-CE1 4.45Å; F490-F585 HydrophobicContact CE2-CG 4.27Å; F490-F585 PolarHBondContact N-O 3.11Å; V495-F585 HydrophobicContact CG1-CB 4.41Å; V495-F585 HydrophobicContact CG2-CB 4.15Å; L498-F585 HydrophobicContact CB-CD2 4.26Å; L498-F585 HydrophobicContact CB-CE2 3.89Å; L498-F585 HydrophobicContact CD1-CD2 4.23Å; L498-F585 HydrophobicContact CD1-CE2 4.18Å; I502-F585 HydrophobicContact CD1-CE2 3.96Å; I502-F585 HydrophobicContact CD1-CZ 4.29Å; P521-F585 HydrophobicContact CB-CE1 4.38Å; P521-F585 HydrophobicContact CG-CE1 4.49Å; I581-F585 HydrophobicContact CG2-CD1 4.28Å; I581-F585 HydrophobicContact CG2-CD2 4.19Å; I581-F585 HydrophobicContact CG2-CE1 3.65Å; I581-F585 HydrophobicContact CG2-CE2 3.55Å; I581-F585 HydrophobicContact CG2-CZ 3.22Å; I581-F585 WeakPolarHBondContact O-CD1 3.38Å; I581-F585 VanDerWaalsContact O-CG 3.29Å; I581-F585 WeakPolarHBondContact O-CG 3.28Å; I581-F585 PolarHBondContact O-N 3.08Å; L582-F585 WeakPolarHBondContact O-CB 3.29Å; L582-F585 PolarHBondContact O-N 2.96Å; A583-F585 VanDerWaalsContact C-N 3.31Å; A583-F585 PolarHBondContact O-N 3.06Å
586	I	94.1	Very high	95.8	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-75.9	-46.7	180	-66.4	159	0	0	0	111	G489 V495 L582 A583 E584 L693 L719 M723 L727	G489-I586 WeakPolarHBondContact CA-O 3.31Å; V495-I586 HydrophobicContact CG1-CG1 4.09Å; V495-I586 HydrophobicContact CG2-CG1 4.32Å; L582-I586 HydrophobicContact CD1-CD1 4.05Å; L582-I586 HydrophobicContact CD1-CG1 4.42Å; L582-I586 HydrophobicContact CG-CD1 4.31Å; L582-I586 WeakPolarHBondContact O-CD1 3.48Å; L582-I586 WeakPolarHBondContact O-CG1 3.42Å; L582-I586 PolarHBondContact O-N 3.47Å; L582-I586 VanDerWaalsContact O-N 3.13Å; A583-I586 WeakPolarHBondContact O-CB 3.39Å; A583-I586 PolarHBondContact O-N 3.46Å; A583-I586 VanDerWaalsContact O-N 3.08Å; E584-I586 VanDerWaalsContact C-N 3.33Å; I586-L693 HydrophobicContact CB-CD2 4.41Å; I586-L693 HydrophobicContact CD1-CD2 4.17Å; I586-L693 HydrophobicContact CG2-CD2 4.39Å; I586-L719 HydrophobicContact CG2-CD2 3.79Å; I586-M723 HydrophobicContact CD1-CG 4.4Å; I586-M723 HydrophobicContact CD1-SD 3.44Å; I586-M723 WeakPolarHBondContact CD1-SD 3.29Å; I586-M723 HydrophobicContact CG1-SD 3.96Å; I586-L727 HydrophobicContact CD1-CD1 3.9Å
587	T	92.1	Very high	95.5	Very high	7 Å²	7	14.9 Å²	14.9	4%	0.043	8%	0.084	C	C	.	.	H	α-helix	trans	-90.3	-29.9	-173.3	58.6	0	0	0	0	113.8	A583 E589 L693	A583-T587 PolarHBondContact O-N 2.99Å; A583-T587 VanDerWaalsContact O-N 3.07Å; A583-T587 PolarHBondContact O-OG1 3.4Å; A583-T587 VanDerWaalsContact O-OG1 3.06Å; T587-E589 VanDerWaalsContact C-N 3.31Å; T587-E589 PolarHBondContact OG1-N 2.96Å; T587-E589 PolarHBondContact OG1-O 2.78Å; T587-L693 HydrophobicContact CG2-CD2 4.15Å
588	G	93.2	Very high	95.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	79.6	4.5	-163	0	0	0	0	0	114.8	F487 E584	F487-G588 WeakPolarHBondContact CD1-O 3.36Å; F487-G588 WeakPolarHBondContact O-CA 3.33Å; E584-G588 WeakPolarHBondContact O-CA 3.5Å; E584-G588 PolarHBondContact O-N 2.99Å
589	E	92.5	Very high	95.1	Very high	68 Å²	68	17.5 Å²	17.5	32%	0.318	10%	0.096	S	C	.	.	S	Bend	trans	-135.7	143.6	-176.3	-65	179.8	148.6	0	0	111.7	E584 T587 L591 S696 N698	E584-E589 WeakPolarHBondContact CA-O 3.42Å; T587-E589 VanDerWaalsContact C-N 3.31Å; T587-E589 PolarHBondContact OG1-N 2.96Å; T587-E589 PolarHBondContact OG1-O 2.78Å; E589-L591 PolarHBondContact O-N 2.79Å; E589-S696 WeakPolarHBondContact OE2-CB 3.42Å; E589-S696 PolarHBondContact OE2-OG 3.27Å; E589-N698 PolarHBondContact OE1-ND2 2.87Å
590	P	95.5	Very high	95	Very high	19 Å²	19	17.5 Å²	17.5	12%	0.123	10%	0.096	C	C	.	.			trans	-63.4	133.2	-176.1	-16.9	27.5	0	0	0	112.3	R41 F557 E584 F592 P593	R41-P590 VanDerWaalsContact NH2-CG 3.32Å; F557-P590 HydrophobicContact CB-CB 4.31Å; F557-P590 HydrophobicContact CD2-CB 3.43Å; F557-P590 VanDerWaalsContact CD2-CB 3.43Å; F557-P590 HydrophobicContact CD2-CG 3.45Å; F557-P590 VanDerWaalsContact CD2-CG 3.45Å; F557-P590 HydrophobicContact CE2-CB 3.95Å; F557-P590 HydrophobicContact CE2-CG 3.57Å; F557-P590 HydrophobicContact CG-CB 4.09Å; E584-P590 VanDerWaalsContact OE1-CD 3.29Å; E584-P590 WeakPolarHBondContact OE1-CD 3.29Å; E584-P590 WeakPolarHBondContact OE1-CG 3.43Å; P590-F592 PolarHBondContact O-N 2.8Å; P590-P593 HydrophobicContact CB-CB 4.43Å; P590-P593 WeakPolarHBondContact O-CD 3.23Å
591	L	96	Very high	95	Very high	21 Å²	21	17.4 Å²	17.4	11%	0.11	10%	0.095	C	C	.	.	S	Bend	trans	-60.6	-42.5	-179.4	-176.5	63.2	0	0	0	113	A583 E589 P593 I607 L689 A692 L731	A583-L591 HydrophobicContact CB-CB 3.75Å; A583-L591 HydrophobicContact CB-CD1 4.2Å; A583-L591 HydrophobicContact CB-CD2 3.79Å; A583-L591 HydrophobicContact CB-CG 4.13Å; E589-L591 PolarHBondContact O-N 2.79Å; L591-P593 WeakPolarHBondContact O-CD 3.41Å; L591-I607 HydrophobicContact CD1-CD1 3.8Å; L591-I607 HydrophobicContact CG-CD1 4.24Å; L591-L689 HydrophobicContact CD1-CD1 4.27Å; L591-L689 HydrophobicContact CD2-CD1 4.14Å; L591-A692 HydrophobicContact CD1-CB 3.78Å; L591-L731 HydrophobicContact CD2-CD1 3.57Å
592	F	96.8	Very high	94.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-121.3	79	-178.5	-53.8	-58.8	0	0	0	111	F557 W576 C580 P590 G594 Q600 C603 I604 I607 L608 L731	F557-F592 WeakPolarHBondContact CD1-O 3.33Å; W576-F592 HydrophobicContact CH2-CE2 4.34Å; W576-F592 HydrophobicContact CZ2-CD2 4.23Å; W576-F592 AromaticContact CZ2-CE2 3.65Å; W576-F592 HydrophobicContact CZ2-CE2 3.65Å; W576-F592 HydrophobicContact CZ2-CZ 4.29Å; C580-F592 VanDerWaalsContact SG-CD2 3.56Å; P590-F592 PolarHBondContact O-N 2.8Å; F592-G594 PolarHBondContact O-N 2.98Å; F592-G594 VanDerWaalsContact O-N 3.11Å; F592-Q600 PolarHBondContact O-NE2 3.22Å; F592-Q600 PolarHBondContact O-OE1 2.94Å; F592-Q600 VanDerWaalsContact O-OE1 3.12Å; F592-C603 HydrophobicContact CB-CB 3.91Å; F592-C603 HydrophobicContact CD1-CB 4.11Å; F592-C603 WeakPolarHBondContact CD1-O 3.46Å; F592-C603 HydrophobicContact CG-CB 4.47Å; F592-I604 HydrophobicContact CB-CG1 4.28Å; F592-I604 HydrophobicContact CD1-CB 4.38Å; F592-I604 HydrophobicContact CD1-CG1 3.89Å; F592-I604 HydrophobicContact CD2-CG1 3.97Å; F592-I604 HydrophobicContact CE1-CB 4.29Å; F592-I604 HydrophobicContact CE1-CG1 4.13Å; F592-I604 HydrophobicContact CE1-CG2 4.47Å; F592-I604 HydrophobicContact CE2-CG1 4.23Å; F592-I604 HydrophobicContact CG-CG1 3.8Å; F592-I604 HydrophobicContact CZ-CG1 4.3Å; F592-I604 HydrophobicContact CZ-CG2 4.38Å; F592-I607 HydrophobicContact CD1-CD1 4.13Å; F592-I607 HydrophobicContact CE1-CB 4.21Å; F592-I607 HydrophobicContact CE1-CD1 3.77Å; F592-I607 HydrophobicContact CE1-CG1 4.36Å; F592-L608 HydrophobicContact CZ-CD1 4.12Å; F592-L608 HydrophobicContact CZ-CG 4.41Å; F592-L731 HydrophobicContact CE2-CD2 4.12Å
593	P	95	Very high	94.8	Very high	45 Å²	45	17.5 Å²	17.5	29%	0.292	10%	0.096	S	C	.	.			trans	-86.6	78.2	-176	34	-32.8	0	0	0	111.1	F557 P590 L591 R681	F557-P593 VanDerWaalsContact CE1-CA 3.46Å; F557-P593 HydrophobicContact CE1-CB 4.19Å; F557-P593 HydrophobicContact CE2-CB 4.39Å; F557-P593 HydrophobicContact CZ-CB 4.02Å; P590-P593 HydrophobicContact CB-CB 4.43Å; P590-P593 WeakPolarHBondContact O-CD 3.23Å; L591-P593 WeakPolarHBondContact O-CD 3.41Å; P593-R681 PolarHBondContact O-NH2 2.91Å
594	G	94.2	Very high	94.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.01	10%	0.095	C	C	.	.			trans	-87.9	134.9	179.2	0	0	0	0	0	114.8	R556 F557 F592 D599 Q600	R556-G594 VanDerWaalsContact CD-O 3.24Å; R556-G594 WeakPolarHBondContact CD-O 3.26Å; R556-G594 PolarHBondContact NH1-O 2.85Å; R556-G594 VanDerWaalsContact NH1-O 3.08Å; F557-G594 WeakPolarHBondContact CE1-O 3.32Å; F592-G594 PolarHBondContact O-N 2.98Å; F592-G594 VanDerWaalsContact O-N 3.11Å; G594-D599 WeakPolarHBondContact CA-OD2 3.3Å; G594-Q600 VanDerWaalsContact CA-OE1 3.31Å; G594-Q600 VanDerWaalsContact N-OE1 3.11Å
595	E	91.7	Very high	94.9	Very high	54 Å²	54	17.6 Å²	17.6	25%	0.252	10%	0.096	S	C	.	.	S	Bend	trans	-70.5	-35.8	176.9	-68.6	-157.3	-137.6	0	0	112.6	Y44 R556 D599	Y44-E595 WeakPolarHBondContact OH-CB 3.28Å; Y44-E595 PolarHBondContact OH-OE2 3.31Å; R556-E595 PolarHBondContact NH1-O 3.19Å; R556-E595 VanDerWaalsContact NH1-O 3.09Å; E595-D599 PolarHBondContact N-OD2 2.94Å
596	D	92.9	Very high	95	Very high	63 Å²	63	18.2 Å²	18.2	34%	0.337	10%	0.099	S	C	.	.	S	Bend	trans	-143	-171.8	174.5	62.6	44.7	0	0	0	111.2	F598 D599 Q600	D596-F598 VanDerWaalsContact C-N 3.32Å; D596-F598 PolarHBondContact O-N 2.96Å; D596-F598 WeakPolarHBondContact OD1-CA 3.31Å; D596-F598 WeakPolarHBondContact OD1-CB 3.21Å; D596-F598 PolarHBondContact OD1-N 3.48Å; D596-D599 PolarHBondContact OD1-N 3.24Å; D596-Q600 WeakPolarHBondContact O-CB 3.14Å; D596-Q600 PolarHBondContact O-N 3.12Å
597	A	93.3	Very high	95.1	Very high	28 Å²	28	18.9 Å²	18.9	23%	0.231	10%	0.102	C	C	.	.	H	α-helix	trans	-67.9	-28.5	-177.1	0	0	0	0	0	114	I564 L601 Y625	I564-A597 HydrophobicContact CG2-CB 4.47Å; A597-L601 PolarHBondContact O-N 3.15Å; A597-Y625 HydrophobicContact CB-CE1 4.45Å
598	F	94.5	Very high	95.3	Very high	38 Å²	38	20.7 Å²	20.7	17%	0.167	11%	0.112	C	C	.	.	H	α-helix	trans	-78.2	-46.4	179.8	-177.8	-89	0	0	0	110.1	D596 Q600 L601 A602 H624 Y625 L633 Y634	D596-F598 VanDerWaalsContact C-N 3.32Å; D596-F598 PolarHBondContact O-N 2.96Å; D596-F598 WeakPolarHBondContact OD1-CA 3.31Å; D596-F598 WeakPolarHBondContact OD1-CB 3.21Å; D596-F598 PolarHBondContact OD1-N 3.48Å; F598-Q600 VanDerWaalsContact C-N 3.33Å; F598-Q600 PolarHBondContact O-N 3.35Å; F598-L601 PolarHBondContact O-N 2.93Å; F598-A602 PolarHBondContact O-N 2.9Å; F598-H624 WeakPolarHBondContact CD2-O 3.5Å; F598-H624 WeakPolarHBondContact CE2-O 3.47Å; F598-Y625 HydrophobicContact CB-CD1 4.13Å; F598-Y625 HydrophobicContact CB-CE1 4.06Å; F598-Y625 AromaticContact CD2-CD1 3.7Å; F598-Y625 HydrophobicContact CD2-CD1 3.7Å; F598-Y625 HydrophobicContact CD2-CE1 4.33Å; F598-Y625 HydrophobicContact CG-CD1 4.26Å; F598-L633 HydrophobicContact CE2-CB 4Å; F598-L633 HydrophobicContact CZ-CB 4.08Å; F598-Y634 VanDerWaalsContact CE1-CB 3.46Å
599	D	95.4	Very high	95.5	Very high	16 Å²	16	21.4 Å²	21.4	9%	0.086	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-32	173.2	-173.8	53.8	0	0	0	112.3	G594 E595 D596 A602 C603 R681	G594-D599 WeakPolarHBondContact CA-OD2 3.3Å; E595-D599 PolarHBondContact N-OD2 2.94Å; D596-D599 PolarHBondContact OD1-N 3.24Å; D599-A602 PolarHBondContact O-N 3.18Å; D599-C603 PolarHBondContact O-N 2.85Å; D599-C603 PolarHBondContact O-SG 3.37Å; D599-R681 VanDerWaalsContact CG-NH2 3.34Å; D599-R681 IonicContact OD1-CZ 3.43Å; D599-R681 IonicContact OD1-NE 2.67Å; D599-R681 PolarHBondContact OD1-NE 2.87Å; D599-R681 IonicContact OD1-NH2 2.75Å; D599-R681 PolarHBondContact OD1-NH2 2.9Å; D599-R681 IonicContact OD2-CZ 3.37Å; D599-R681 IonicContact OD2-NE 3.21Å; D599-R681 IonicContact OD2-NH2 2.65Å; D599-R681 PolarHBondContact OD2-NH2 3.47Å
600	Q	96.8	Very high	95.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.1	-47.6	171.5	-172.1	68.7	33.1	0	0	111.3	R556 I564 F592 G594 D596 F598 A602 C603 I604	R556-Q600 HydrophobicContact CG-CB 4.29Å; R556-Q600 HydrophobicContact CG-CG 4.18Å; R556-Q600 PolarHBondContact O-NE2 3.02Å; R556-Q600 PolarHBondContact O-OE1 2.85Å; I564-Q600 HydrophobicContact CD1-CB 4.21Å; I564-Q600 HydrophobicContact CD1-CG 3.72Å; F592-Q600 PolarHBondContact O-NE2 3.22Å; F592-Q600 PolarHBondContact O-OE1 2.94Å; F592-Q600 VanDerWaalsContact O-OE1 3.12Å; G594-Q600 VanDerWaalsContact CA-OE1 3.31Å; G594-Q600 VanDerWaalsContact N-OE1 3.11Å; D596-Q600 WeakPolarHBondContact O-CB 3.14Å; D596-Q600 PolarHBondContact O-N 3.12Å; F598-Q600 VanDerWaalsContact C-N 3.33Å; F598-Q600 PolarHBondContact O-N 3.35Å; Q600-A602 VanDerWaalsContact C-N 3.3Å; Q600-A602 PolarHBondContact O-N 3.5Å; Q600-C603 WeakPolarHBondContact O-CB 3.3Å; Q600-C603 PolarHBondContact O-N 3.16Å; Q600-I604 HydrophobicContact CG-CD1 4.37Å; Q600-I604 WeakPolarHBondContact O-CG1 3.03Å; Q600-I604 PolarHBondContact O-N 2.88Å; Q600-I604 VanDerWaalsContact O-N 3.14Å
601	L	97	Very high	95.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-33.4	178	-156.8	72.3	0	0	0	111.8	P561 I564 L565 A597 F598 I604 M605 Y625 F626 W733	P561-L601 HydrophobicContact CB-CD1 4.4Å; I564-L601 HydrophobicContact CB-CD1 4.29Å; I564-L601 HydrophobicContact CD1-CD1 4.23Å; I564-L601 HydrophobicContact CG2-CB 4.24Å; I564-L601 HydrophobicContact CG2-CD1 4.07Å; I564-L601 HydrophobicContact CG2-CD2 4.5Å; L565-L601 HydrophobicContact CD2-CD2 4Å; A597-L601 PolarHBondContact O-N 3.15Å; F598-L601 PolarHBondContact O-N 2.93Å; L601-I604 HydrophobicContact CD1-CD1 4.43Å; L601-I604 PolarHBondContact O-N 2.95Å; L601-M605 HydrophobicContact CB-CE 4.31Å; L601-M605 HydrophobicContact CD2-CE 4.14Å; L601-M605 HydrophobicContact CG-CE 3.99Å; L601-M605 WeakPolarHBondContact O-CE 3.49Å; L601-M605 WeakPolarHBondContact O-CG 3.12Å; L601-M605 PolarHBondContact O-N 2.81Å; L601-Y625 HydrophobicContact CD2-CD1 4.22Å; L601-Y625 HydrophobicContact CD2-CD2 4.14Å; L601-Y625 HydrophobicContact CD2-CG 3.77Å; L601-F626 HydrophobicContact CD2-CE2 3.67Å; L601-F626 HydrophobicContact CD2-CZ 3.74Å; L601-W733 HydrophobicContact CD1-CH2 4.32Å; L601-W733 HydrophobicContact CD1-CZ3 4.12Å
602	A	96.4	Very high	95.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-39.9	172	0	0	0	0	0	112.6	F598 D599 Q600 I604 M605 E606 Y634 R681	F598-A602 PolarHBondContact O-N 2.9Å; D599-A602 PolarHBondContact O-N 3.18Å; Q600-A602 VanDerWaalsContact C-N 3.3Å; Q600-A602 PolarHBondContact O-N 3.5Å; A602-I604 VanDerWaalsContact C-N 3.3Å; A602-I604 PolarHBondContact O-N 3.2Å; A602-M605 PolarHBondContact O-N 3.45Å; A602-E606 VanDerWaalsContact O-CB 3.29Å; A602-E606 WeakPolarHBondContact O-CB 3.33Å; A602-E606 PolarHBondContact O-N 2.85Å; A602-Y634 HydrophobicContact CB-CD1 3.83Å; A602-Y634 HydrophobicContact CB-CD2 4Å; A602-Y634 HydrophobicContact CB-CE1 4.05Å; A602-Y634 HydrophobicContact CB-CE2 4.2Å; A602-Y634 HydrophobicContact CB-CG 3.81Å; A602-R681 HydrophobicContact CB-CB 4.32Å; A602-R681 HydrophobicContact CB-CG 3.96Å
603	C	96	Very high	95.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	15%	0.148	C	C	.	.	H	α-helix	trans	-58.6	-41.9	171.3	-61.8	0	0	0	0	112.1	F592 D599 Q600 R681	F592-C603 HydrophobicContact CB-CB 3.91Å; F592-C603 HydrophobicContact CD1-CB 4.11Å; F592-C603 WeakPolarHBondContact CD1-O 3.46Å; F592-C603 HydrophobicContact CG-CB 4.47Å; D599-C603 PolarHBondContact O-N 2.85Å; D599-C603 PolarHBondContact O-SG 3.37Å; Q600-C603 WeakPolarHBondContact O-CB 3.3Å; Q600-C603 PolarHBondContact O-N 3.16Å; C603-R681 PolarHBondContact SG-NH1 3.13Å; C603-R681 PolarHBondContact SG-NH2 3.09Å; C603-R681 VanDerWaalsContact SG-NH2 3.35Å
604	I	97.8	Very high	95.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.7	-45.3	-178.4	-61.4	165.7	0	0	0	109.7	I564 W576 F592 Q600 L601 A602 E606 I607 L608 W733	I564-I604 HydrophobicContact CD1-CD1 4.05Å; W576-I604 HydrophobicContact CH2-CD1 4.49Å; W576-I604 HydrophobicContact CH2-CG2 3.61Å; W576-I604 HydrophobicContact CZ2-CD1 3.79Å; W576-I604 HydrophobicContact CZ2-CG1 4.01Å; W576-I604 HydrophobicContact CZ2-CG2 3.88Å; F592-I604 HydrophobicContact CB-CG1 4.28Å; F592-I604 HydrophobicContact CD1-CB 4.38Å; F592-I604 HydrophobicContact CD1-CG1 3.89Å; F592-I604 HydrophobicContact CD2-CG1 3.97Å; F592-I604 HydrophobicContact CE1-CB 4.29Å; F592-I604 HydrophobicContact CE1-CG1 4.13Å; F592-I604 HydrophobicContact CE1-CG2 4.47Å; F592-I604 HydrophobicContact CE2-CG1 4.23Å; F592-I604 HydrophobicContact CG-CG1 3.8Å; F592-I604 HydrophobicContact CZ-CG1 4.3Å; F592-I604 HydrophobicContact CZ-CG2 4.38Å; Q600-I604 HydrophobicContact CG-CD1 4.37Å; Q600-I604 WeakPolarHBondContact O-CG1 3.03Å; Q600-I604 PolarHBondContact O-N 2.88Å; Q600-I604 VanDerWaalsContact O-N 3.14Å; L601-I604 HydrophobicContact CD1-CD1 4.43Å; L601-I604 PolarHBondContact O-N 2.95Å; A602-I604 VanDerWaalsContact C-N 3.3Å; A602-I604 PolarHBondContact O-N 3.2Å; I604-E606 PolarHBondContact O-N 3.03Å; I604-I607 PolarHBondContact O-N 3.09Å; I604-L608 HydrophobicContact CG2-CD1 3.83Å; I604-L608 HydrophobicContact CG2-CG 4.44Å; I604-L608 WeakPolarHBondContact O-CB 3.44Å; I604-L608 PolarHBondContact O-N 2.99Å; I604-W733 HydrophobicContact CB-CH2 4.09Å; I604-W733 HydrophobicContact CG2-CH2 3.37Å; I604-W733 HydrophobicContact CG2-CZ2 3.66Å; I604-W733 HydrophobicContact CG2-CZ3 3.89Å
605	M	97.5	Very high	95.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-38.1	178.4	-71.9	-175.3	-77.9	0	0	113.3	L601 A602 I607 G609 F626 P632 Y634 P684 G685 W733	L601-M605 HydrophobicContact CB-CE 4.31Å; L601-M605 HydrophobicContact CD2-CE 4.14Å; L601-M605 HydrophobicContact CG-CE 3.99Å; L601-M605 WeakPolarHBondContact O-CE 3.49Å; L601-M605 WeakPolarHBondContact O-CG 3.12Å; L601-M605 PolarHBondContact O-N 2.81Å; A602-M605 PolarHBondContact O-N 3.45Å; M605-I607 PolarHBondContact O-N 3.28Å; M605-I607 VanDerWaalsContact O-N 3.08Å; M605-G609 VanDerWaalsContact CA-O 3.23Å; M605-G609 WeakPolarHBondContact CA-O 3.44Å; M605-G609 WeakPolarHBondContact CB-O 3.36Å; M605-G609 WeakPolarHBondContact CG-O 3.14Å; M605-G609 WeakPolarHBondContact O-CA 3.39Å; M605-G609 PolarHBondContact O-N 3.21Å; M605-F626 HydrophobicContact CE-CE1 4.24Å; M605-F626 HydrophobicContact CE-CZ 4.18Å; M605-F626 HydrophobicContact SD-CE1 3.56Å; M605-F626 VanDerWaalsContact SD-CE1 3.56Å; M605-F626 HydrophobicContact SD-CZ 3.73Å; M605-P632 HydrophobicContact CE-CB 4.06Å; M605-P632 HydrophobicContact SD-CB 4.03Å; M605-P632 HydrophobicContact SD-CG 3.83Å; M605-Y634 HydrophobicContact CE-CD1 3.78Å; M605-Y634 HydrophobicContact CE-CE1 3.63Å; M605-Y634 HydrophobicContact SD-CE1 4.36Å; M605-P684 HydrophobicContact CB-CB 4.18Å; M605-P684 HydrophobicContact CB-CG 4.28Å; M605-P684 CarbonylContact O-C 3.28Å; M605-P684 WeakPolarHBondContact O-CA 3.33Å; M605-G685 PolarHBondContact O-N 3.05Å; M605-W733 HydrophobicContact CG-CH2 3.89Å; M605-W733 HydrophobicContact CG-CZ2 4Å
606	E	95.8	Very high	96.1	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-52.2	-30.1	176.2	177.5	165.2	-137.8	0	0	112.7	A602 I604 K682 S686 M687	A602-E606 VanDerWaalsContact O-CB 3.29Å; A602-E606 WeakPolarHBondContact O-CB 3.33Å; A602-E606 PolarHBondContact O-N 2.85Å; I604-E606 PolarHBondContact O-N 3.03Å; E606-K682 HydrophobicContact CG-CB 4.23Å; E606-K682 HydrophobicContact CG-CD 4.46Å; E606-K682 WeakPolarHBondContact OE1-CB 3.41Å; E606-K682 VanDerWaalsContact OE1-CG 3.24Å; E606-K682 WeakPolarHBondContact OE1-CG 3.32Å; E606-K682 PolarHBondContact OE1-N 2.87Å; E606-S686 PolarHBondContact O-N 3.42Å; E606-M687 HydrophobicContact CG-CE 4.4Å; E606-M687 PolarHBondContact O-N 3.33Å
607	I	96.3	Very high	96.2	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.077	18%	0.177	C	C	.	.	H	α-helix	trans	-103.4	-46.1	178.7	-57.8	175.9	0	0	0	112.8	L591 F592 I604 M605 M687 L689 A692	L591-I607 HydrophobicContact CD1-CD1 3.8Å; L591-I607 HydrophobicContact CG-CD1 4.24Å; F592-I607 HydrophobicContact CD1-CD1 4.13Å; F592-I607 HydrophobicContact CE1-CB 4.21Å; F592-I607 HydrophobicContact CE1-CD1 3.77Å; F592-I607 HydrophobicContact CE1-CG1 4.36Å; I604-I607 PolarHBondContact O-N 3.09Å; M605-I607 PolarHBondContact O-N 3.28Å; M605-I607 VanDerWaalsContact O-N 3.08Å; I607-M687 WeakPolarHBondContact CA-O 3.35Å; I607-M687 HydrophobicContact CD1-CE 3.77Å; I607-M687 HydrophobicContact CG1-CE 3.58Å; I607-L689 HydrophobicContact CG2-CB 4.29Å; I607-L689 HydrophobicContact CG2-CD1 4.46Å; I607-A692 HydrophobicContact CD1-CB 3.56Å; I607-A692 HydrophobicContact CG1-CB 4.27Å
608	L	97.3	Very high	96.3	Very high	45 Å²	45	39.7 Å²	39.7	24%	0.236	20%	0.198	C	C	.	.	H	α-helix	trans	-101.3	10.6	-168.3	-55.3	-179.4	0	0	0	114.6	W576 F592 I604 L731 W733	W576-L608 HydrophobicContact CH2-CD1 3.66Å; W576-L608 HydrophobicContact CZ3-CD1 4.15Å; F592-L608 HydrophobicContact CZ-CD1 4.12Å; F592-L608 HydrophobicContact CZ-CG 4.41Å; I604-L608 HydrophobicContact CG2-CD1 3.83Å; I604-L608 HydrophobicContact CG2-CG 4.44Å; I604-L608 WeakPolarHBondContact O-CB 3.44Å; I604-L608 PolarHBondContact O-N 2.99Å; L608-L731 HydrophobicContact CD1-CB 4.33Å; L608-L731 VanDerWaalsContact CD1-O 3.31Å; L608-L731 WeakPolarHBondContact CD1-O 3.05Å; L608-W733 HydrophobicContact CB-CZ2 4.09Å; L608-W733 PolarHBondContact O-NE1 3.32Å
609	G	96.9	Very high	96.4	Very high	16 Å²	16	38.3 Å²	38.3	17%	0.165	20%	0.195	C	C	.	.			trans	72.4	-167.3	-175.9	0	0	0	0	0	113.3	M605 W733	M605-G609 VanDerWaalsContact CA-O 3.23Å; M605-G609 WeakPolarHBondContact CA-O 3.44Å; M605-G609 WeakPolarHBondContact CB-O 3.36Å; M605-G609 WeakPolarHBondContact CG-O 3.14Å; M605-G609 WeakPolarHBondContact O-CA 3.39Å; M605-G609 PolarHBondContact O-N 3.21Å; G609-W733 VanDerWaalsContact O-CZ2 3.29Å; G609-W733 WeakPolarHBondContact O-CZ2 3.27Å
610	V	97	Very high	96.4	Very high	65 Å²	65	40.6 Å²	40.6	39%	0.394	21%	0.212	S	C	.	.	S	Bend	trans	-81	137	177.4	-179.8	0	0	0	0	109.4	I616 F626 P632 P684	V610-I616 HydrophobicContact CG1-CD1 3.93Å; V610-F626 HydrophobicContact CG1-CE1 4.22Å; V610-P632 HydrophobicContact CG2-CG 4.02Å; V610-P684 HydrophobicContact CG2-CB 3.7Å; V610-P684 HydrophobicContact CG2-CG 3.69Å
611	P	97.3	Very high	96.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.019	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-57.1	148.2	176.2	15.4	-26.5	0	0	0	112.5	M613 I616 F626 W733	P611-M613 PolarHBondContact O-N 3.2Å; P611-I616 HydrophobicContact CB-CG1 4.35Å; P611-I616 HydrophobicContact CG-CD1 4.1Å; P611-I616 HydrophobicContact CG-CG1 3.96Å; P611-I616 WeakPolarHBondContact O-CD1 3.01Å; P611-F626 HydrophobicContact CG-CE1 4.08Å; P611-F626 HydrophobicContact CG-CE2 4.16Å; P611-F626 HydrophobicContact CG-CZ 3.44Å; P611-F626 VanDerWaalsContact CG-CZ 3.44Å; P611-W733 HydrophobicContact CB-CD2 3.82Å; P611-W733 HydrophobicContact CB-CE3 3.62Å; P611-W733 HydrophobicContact CB-CG 4.45Å; P611-W733 HydrophobicContact CB-CH2 4.13Å; P611-W733 HydrophobicContact CB-CZ2 4.33Å; P611-W733 HydrophobicContact CB-CZ3 3.76Å; P611-W733 HydrophobicContact CG-CE3 4.33Å; P611-W733 HydrophobicContact CG-CH2 4.01Å; P611-W733 HydrophobicContact CG-CZ2 4.41Å; P611-W733 HydrophobicContact CG-CZ3 3.96Å
612	P	96.7	Very high	96.3	Very high	59 Å²	59	44.5 Å²	44.5	38%	0.383	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-50.1	132.4	176.4	-28.6	34.9	0	0	0	112.4	Q614 M615 I616 W733	P612-Q614 PolarHBondContact O-N 3.35Å; P612-M615 HydrophobicContact CG-SD 4.36Å; P612-M615 WeakPolarHBondContact O-CA 3.36Å; P612-M615 WeakPolarHBondContact O-CB 3.38Å; P612-M615 PolarHBondContact O-N 3.4Å; P612-I616 PolarHBondContact O-N 3.24Å; P612-W733 HydrophobicContact CG-CB 4.32Å
613	M	95.4	Very high	96.2	Very high	71 Å²	71	49.6 Å²	49.6	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-20.6	-173.1	-169.9	58.1	174.3	0	0	113.5	P611 I616 K617	P611-M613 PolarHBondContact O-N 3.2Å; M613-I616 HydrophobicContact SD-CB 3.93Å; M613-I616 HydrophobicContact SD-CD1 3.97Å; M613-I616 HydrophobicContact SD-CG1 4.47Å; M613-I616 HydrophobicContact SD-CG2 4.08Å; M613-K617 HydrophobicContact CE-CG 4.19Å; M613-K617 HydrophobicContact CG-CD 4.32Å; M613-K617 HydrophobicContact CG-CG 4.39Å; M613-K617 WeakPolarHBondContact O-CB 3.22Å; M613-K617 VanDerWaalsContact O-CG 3.3Å; M613-K617 WeakPolarHBondContact O-CG 3.39Å; M613-K617 PolarHBondContact O-N 3.48Å
614	Q	94.7	Very high	96.1	Very high	141 Å²	141	51.1 Å²	51.1	66%	0.659	26%	0.261	S	S	*	.	H	α-helix	trans	-64.6	-40.6	170.3	-59.3	-167.9	22.1	0	0	112.8	P612 K618	P612-Q614 PolarHBondContact O-N 3.35Å; Q614-K618 WeakPolarHBondContact O-CB 3.25Å; Q614-K618 VanDerWaalsContact O-CG 3.26Å; Q614-K618 WeakPolarHBondContact O-CG 3.16Å; Q614-K618 PolarHBondContact O-N 2.91Å; Q614-K618 VanDerWaalsContact O-N 3.1Å
615	M	96.8	Very high	96	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.064	27%	0.266	C	S	.	.	H	α-helix	trans	-67.6	-44.8	175.1	-66.7	179	71.7	0	0	110.7	L565 L567 P612 K617 K618 G619 W733 N734	L565-M615 HydrophobicContact CD1-CB 4.27Å; L565-M615 HydrophobicContact CD1-CE 4.1Å; L567-M615 HydrophobicContact CD1-CB 4.09Å; L567-M615 HydrophobicContact CD1-CE 3.86Å; L567-M615 HydrophobicContact CD1-CG 4.34Å; P612-M615 HydrophobicContact CG-SD 4.36Å; P612-M615 WeakPolarHBondContact O-CA 3.36Å; P612-M615 WeakPolarHBondContact O-CB 3.38Å; P612-M615 PolarHBondContact O-N 3.4Å; M615-K617 VanDerWaalsContact C-N 3.35Å; M615-K617 PolarHBondContact O-N 3.08Å; M615-K618 PolarHBondContact O-N 3.47Å; M615-G619 PolarHBondContact O-N 3.27Å; M615-W733 WeakPolarHBondContact CE-O 3.07Å; M615-W733 HydrophobicContact SD-CB 3.94Å; M615-N734 HydrophobicContact SD-CB 4.46Å
616	I	96.8	Very high	96	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-56.8	-49.3	176.8	-59	178.7	0	0	0	110.1	V610 P611 P612 M613 K618 G619 S622 F626	V610-I616 HydrophobicContact CG1-CD1 3.93Å; P611-I616 HydrophobicContact CB-CG1 4.35Å; P611-I616 HydrophobicContact CG-CD1 4.1Å; P611-I616 HydrophobicContact CG-CG1 3.96Å; P611-I616 WeakPolarHBondContact O-CD1 3.01Å; P612-I616 PolarHBondContact O-N 3.24Å; M613-I616 HydrophobicContact SD-CB 3.93Å; M613-I616 HydrophobicContact SD-CD1 3.97Å; M613-I616 HydrophobicContact SD-CG1 4.47Å; M613-I616 HydrophobicContact SD-CG2 4.08Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 3.5Å; I616-G619 PolarHBondContact O-N 2.84Å; I616-S622 WeakPolarHBondContact O-CB 3.12Å; I616-S622 PolarHBondContact O-OG 2.67Å; I616-F626 HydrophobicContact CD1-CD1 3.93Å; I616-F626 HydrophobicContact CD1-CD2 4.43Å; I616-F626 HydrophobicContact CD1-CE1 3.96Å; I616-F626 HydrophobicContact CD1-CE2 4.48Å; I616-F626 HydrophobicContact CD1-CG 4.18Å; I616-F626 HydrophobicContact CD1-CZ 4.26Å; I616-F626 HydrophobicContact CG1-CD2 4.25Å; I616-F626 HydrophobicContact CG1-CE2 4.22Å; I616-F626 HydrophobicContact CG1-CG 4.46Å; I616-F626 HydrophobicContact CG1-CZ 4.38Å; I616-F626 HydrophobicContact CG2-CB 4Å; I616-F626 HydrophobicContact CG2-CD2 3.94Å; I616-F626 HydrophobicContact CG2-CG 3.95Å
617	K	95.3	Very high	95.8	Very high	166 Å²	166	52.9 Å²	52.9	72%	0.722	27%	0.274	S	S	*	.	H	α-helix	trans	-66.3	-28.2	179.4	-74.1	178.2	176.9	-176.9	0	114.5	M613 M615	M613-K617 HydrophobicContact CE-CG 4.19Å; M613-K617 HydrophobicContact CG-CD 4.32Å; M613-K617 HydrophobicContact CG-CG 4.39Å; M613-K617 WeakPolarHBondContact O-CB 3.22Å; M613-K617 VanDerWaalsContact O-CG 3.3Å; M613-K617 WeakPolarHBondContact O-CG 3.39Å; M613-K617 PolarHBondContact O-N 3.48Å; M615-K617 VanDerWaalsContact C-N 3.35Å; M615-K617 PolarHBondContact O-N 3.08Å
618	K	95.7	Very high	95.4	Very high	151 Å²	151	58.4 Å²	58.4	66%	0.657	31%	0.314	S	S	*	.	H	α-helix	trans	-88.1	-26.4	179.4	-73.5	172.7	179.4	175.1	0	113.6	L567 Q614 M615 I616 S620	L567-K618 VanDerWaalsContact CD2-C 3.49Å; L567-K618 HydrophobicContact CD2-CB 3.52Å; Q614-K618 WeakPolarHBondContact O-CB 3.25Å; Q614-K618 VanDerWaalsContact O-CG 3.26Å; Q614-K618 WeakPolarHBondContact O-CG 3.16Å; Q614-K618 PolarHBondContact O-N 2.91Å; Q614-K618 VanDerWaalsContact O-N 3.1Å; M615-K618 PolarHBondContact O-N 3.47Å; I616-K618 VanDerWaalsContact C-N 3.34Å; I616-K618 PolarHBondContact O-N 3.5Å; K618-S620 PolarHBondContact O-N 3.06Å
619	G	95.9	Very high	94.9	Very high	10 Å²	10	61.4 Å²	61.4	10%	0.103	33%	0.331	C	S	.	.			trans	-72.5	122.1	-173	0	0	0	0	0	113.3	L565 M615 I616 Q621 S622	L565-G619 CarbonylContact O-C 3.58Å; L565-G619 VanDerWaalsContact O-CA 3.24Å; L565-G619 WeakPolarHBondContact O-CA 3.34Å; M615-G619 PolarHBondContact O-N 3.27Å; I616-G619 PolarHBondContact O-N 2.84Å; G619-Q621 PolarHBondContact O-N 3.35Å; G619-S622 WeakPolarHBondContact CA-OG 3.37Å; G619-S622 WeakPolarHBondContact O-CB 3.45Å; G619-S622 PolarHBondContact O-N 3.35Å; G619-S622 PolarHBondContact O-OG 2.92Å; G619-S622 VanDerWaalsContact O-OG 3.1Å
620	S	95.8	Very high	94.7	Very high	64 Å²	64	61 Å²	61	45%	0.448	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.4	-179	62.2	0	0	0	0	113.5	L565 G566 K618 H623	L565-S620 PolarHBondContact O-N 3.15Å; L565-S620 VanDerWaalsContact O-N 3.09Å; G566-S620 PolarHBondContact O-N 3.29Å; G566-S620 PolarHBondContact O-OG 2.99Å; K618-S620 PolarHBondContact O-N 3.06Å; S620-H623 PolarHBondContact O-CE1 2.68Å; S620-H623 PolarHBondContact O-ND1 3.31Å; S620-H623 VanDerWaalsContact O-ND1 3.08Å
621	Q	94.8	Very high	94.5	Very high	74 Å²	74	62.9 Å²	62.9	35%	0.346	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.5	-179.5	-51.9	-55.7	-66.4	0	0	113.3	I564 L565 G619 H623 H624 Y625	I564-Q621 WeakPolarHBondContact O-CB 3.48Å; L565-Q621 WeakPolarHBondContact O-CB 3.24Å; L565-Q621 PolarHBondContact O-N 2.97Å; G619-Q621 PolarHBondContact O-N 3.35Å; Q621-H623 PolarHBondContact O-N 2.91Å; Q621-H624 WeakPolarHBondContact O-CB 3.46Å; Q621-H624 PolarHBondContact O-N 2.74Å; Q621-Y625 HydrophobicContact CB-CE2 3.88Å; Q621-Y625 VanDerWaalsContact O-CD2 3.26Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.47Å; Q621-Y625 WeakPolarHBondContact O-CE2 3.37Å
622	S	95.9	Very high	94.4	Very high	8 Å²	8	62.8 Å²	62.8	6%	0.056	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-53.1	-32.7	-175.4	-63.6	0	0	0	0	113.7	I616 G619 H624 Y625 F626	I616-S622 WeakPolarHBondContact O-CB 3.12Å; I616-S622 PolarHBondContact O-OG 2.67Å; G619-S622 WeakPolarHBondContact CA-OG 3.37Å; G619-S622 WeakPolarHBondContact O-CB 3.45Å; G619-S622 PolarHBondContact O-N 3.35Å; G619-S622 PolarHBondContact O-OG 2.92Å; G619-S622 VanDerWaalsContact O-OG 3.1Å; S622-H624 PolarHBondContact O-N 2.92Å; S622-H624 VanDerWaalsContact O-N 3.16Å; S622-Y625 PolarHBondContact O-N 2.95Å; S622-F626 PolarHBondContact O-N 3.33Å
623	H	94.5	Very high	94.2	Very high	108 Å²	108	60.6 Å²	60.6	50%	0.5	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-68.5	-5.7	179.1	76.7	-80.3	0	0	0	115	S620 Q621 S661	S620-H623 PolarHBondContact O-CE1 2.68Å; S620-H623 PolarHBondContact O-ND1 3.31Å; S620-H623 VanDerWaalsContact O-ND1 3.08Å; Q621-H623 PolarHBondContact O-N 2.91Å; H623-S661 PolarHBondContact O-OG 3.26Å
624	H	94.1	Very high	94	Very high	33 Å²	33	57.6 Å²	57.6	15%	0.153	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-91.2	-14	167.6	-61.6	-50.7	0	0	0	113	F598 Q621 S622 S661 S665	F598-H624 WeakPolarHBondContact CD2-O 3.5Å; F598-H624 WeakPolarHBondContact CE2-O 3.47Å; Q621-H624 WeakPolarHBondContact O-CB 3.46Å; Q621-H624 PolarHBondContact O-N 2.74Å; S622-H624 PolarHBondContact O-N 2.92Å; S622-H624 VanDerWaalsContact O-N 3.16Å; H624-S661 PolarHBondContact ND1-OG 3.31Å; H624-S665 PolarHBondContact CE1-OG 2.92Å
625	Y	95.8	Very high	93.8	Very high	25 Å²	25	53.2 Å²	53.2	10%	0.098	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-24	-173.5	-46.5	-72.7	0	0	0	114.1	I564 L565 A597 F598 L601 Q621 S622 L633	I564-Y625 HydrophobicContact CG2-CE1 4.1Å; I564-Y625 HydrophobicContact CG2-CE2 3.9Å; I564-Y625 VanDerWaalsContact O-CE2 3.22Å; I564-Y625 WeakPolarHBondContact O-CE2 3.22Å; I564-Y625 PolarHBondContact O-OH 3.33Å; L565-Y625 HydrophobicContact CD2-CD2 4.36Å; A597-Y625 HydrophobicContact CB-CE1 4.45Å; F598-Y625 HydrophobicContact CB-CD1 4.13Å; F598-Y625 HydrophobicContact CB-CE1 4.06Å; F598-Y625 AromaticContact CD2-CD1 3.7Å; F598-Y625 HydrophobicContact CD2-CD1 3.7Å; F598-Y625 HydrophobicContact CD2-CE1 4.33Å; F598-Y625 HydrophobicContact CG-CD1 4.26Å; L601-Y625 HydrophobicContact CD2-CD1 4.22Å; L601-Y625 HydrophobicContact CD2-CD2 4.14Å; L601-Y625 HydrophobicContact CD2-CG 3.77Å; Q621-Y625 HydrophobicContact CB-CE2 3.88Å; Q621-Y625 VanDerWaalsContact O-CD2 3.26Å; Q621-Y625 WeakPolarHBondContact O-CD2 3.47Å; Q621-Y625 WeakPolarHBondContact O-CE2 3.37Å; S622-Y625 PolarHBondContact O-N 2.95Å; Y625-L633 WeakPolarHBondContact O-CB 3.44Å; Y625-L633 WeakPolarHBondContact O-CG 3.46Å; Y625-L633 PolarHBondContact O-N 3.21Å
626	F	96.7	Very high	93.1	Very high	8 Å²	8	54.4 Å²	54.4	4%	0.035	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-128.2	146.9	-176.9	-57.4	-81.2	0	0	0	112.4	L565 L601 M605 V610 P611 I616 S622 G630 Q631 P632	L565-F626 HydrophobicContact CD2-CE2 3.78Å; L601-F626 HydrophobicContact CD2-CE2 3.67Å; L601-F626 HydrophobicContact CD2-CZ 3.74Å; M605-F626 HydrophobicContact CE-CE1 4.24Å; M605-F626 HydrophobicContact CE-CZ 4.18Å; M605-F626 HydrophobicContact SD-CE1 3.56Å; M605-F626 VanDerWaalsContact SD-CE1 3.56Å; M605-F626 HydrophobicContact SD-CZ 3.73Å; V610-F626 HydrophobicContact CG1-CE1 4.22Å; P611-F626 HydrophobicContact CG-CE1 4.08Å; P611-F626 HydrophobicContact CG-CE2 4.16Å; P611-F626 HydrophobicContact CG-CZ 3.44Å; P611-F626 VanDerWaalsContact CG-CZ 3.44Å; I616-F626 HydrophobicContact CD1-CD1 3.93Å; I616-F626 HydrophobicContact CD1-CD2 4.43Å; I616-F626 HydrophobicContact CD1-CE1 3.96Å; I616-F626 HydrophobicContact CD1-CE2 4.48Å; I616-F626 HydrophobicContact CD1-CG 4.18Å; I616-F626 HydrophobicContact CD1-CZ 4.26Å; I616-F626 HydrophobicContact CG1-CD2 4.25Å; I616-F626 HydrophobicContact CG1-CE2 4.22Å; I616-F626 HydrophobicContact CG1-CG 4.46Å; I616-F626 HydrophobicContact CG1-CZ 4.38Å; I616-F626 HydrophobicContact CG2-CB 4Å; I616-F626 HydrophobicContact CG2-CD2 3.94Å; I616-F626 HydrophobicContact CG2-CG 3.95Å; S622-F626 PolarHBondContact O-N 3.33Å; F626-G630 WeakPolarHBondContact CD1-O 3.39Å; F626-Q631 CarbonylContact C-O 3.56Å; F626-Q631 WeakPolarHBondContact CA-O 3.33Å; F626-P632 HydrophobicContact CD1-CB 4.48Å; F626-P632 HydrophobicContact CD1-CG 4.35Å; F626-P632 HydrophobicContact CE1-CB 4.38Å; F626-P632 HydrophobicContact CE1-CG 4.14Å
627	G	92.3	Very high	92.2	Very high	22 Å²	22	56.1 Å²	56.1	23%	0.227	29%	0.294	C	S	.	.			trans	-70	169.7	164.9	0	0	0	0	0	112.3	N629 G630 Q631	G627-N629 PolarHBondContact O-N 3.24Å; G627-N629 VanDerWaalsContact O-N 3.11Å; G627-G630 PolarHBondContact O-N 3.12Å; G627-Q631 PolarHBondContact N-O 3.14Å
628	S	87.1	Confident	91.4	Very high	131 Å²	131	50.3 Å²	50.3	92%	0.916	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.1	179.6	50.1	0	0	0	0	114.2
629	N	88.1	Confident	90.2	Very high	109 Å²	109	48.3 Å²	48.3	58%	0.583	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	8.5	175.3	61.8	-6.3	0	0	0	114	G627 Q631	G627-N629 PolarHBondContact O-N 3.24Å; G627-N629 VanDerWaalsContact O-N 3.11Å; N629-Q631 VanDerWaalsContact C-N 3.33Å; N629-Q631 WeakPolarHBondContact ND2-CG 3.44Å; N629-Q631 PolarHBondContact O-N 3.45Å; N629-Q631 WeakPolarHBondContact OD1-CB 3.39Å; N629-Q631 VanDerWaalsContact OD1-CG 3.31Å; N629-Q631 WeakPolarHBondContact OD1-CG 3.33Å; N629-Q631 PolarHBondContact OD1-N 2.91Å
630	G	91.3	Very high	88.6	Confident	7 Å²	7	50.7 Å²	50.7	7%	0.072	27%	0.27	C	S	.	.	S	Bend	trans	80.6	4.5	-179.2	0	0	0	0	0	115.3	F626 G627	F626-G630 WeakPolarHBondContact CD1-O 3.39Å; G627-G630 PolarHBondContact O-N 3.12Å
631	Q	93.2	Very high	86.9	Confident	104 Å²	104	55 Å²	55	49%	0.486	28%	0.282	S	S	.	.			trans	-72.6	131.2	179.8	-67.4	-65.8	-23.7	0	0	111.6	F626 G627 N629 L633	F626-Q631 CarbonylContact C-O 3.56Å; F626-Q631 WeakPolarHBondContact CA-O 3.33Å; G627-Q631 PolarHBondContact N-O 3.14Å; N629-Q631 VanDerWaalsContact C-N 3.33Å; N629-Q631 WeakPolarHBondContact ND2-CG 3.44Å; N629-Q631 PolarHBondContact O-N 3.45Å; N629-Q631 WeakPolarHBondContact OD1-CB 3.39Å; N629-Q631 VanDerWaalsContact OD1-CG 3.31Å; N629-Q631 WeakPolarHBondContact OD1-CG 3.33Å; N629-Q631 PolarHBondContact OD1-N 2.91Å; Q631-L633 PolarHBondContact O-N 3.4Å
632	P	95.1	Very high	85	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-64.1	122.7	-179.8	-22.1	33	0	0	0	113	M605 V610 F626 Y634 M635 P684	M605-P632 HydrophobicContact CE-CB 4.06Å; M605-P632 HydrophobicContact SD-CB 4.03Å; M605-P632 HydrophobicContact SD-CG 3.83Å; V610-P632 HydrophobicContact CG2-CG 4.02Å; F626-P632 HydrophobicContact CD1-CB 4.48Å; F626-P632 HydrophobicContact CD1-CG 4.35Å; F626-P632 HydrophobicContact CE1-CB 4.38Å; F626-P632 HydrophobicContact CE1-CG 4.14Å; P632-Y634 HydrophobicContact CB-CD1 3.59Å; P632-Y634 HydrophobicContact CB-CE1 3.57Å; P632-Y634 HydrophobicContact CG-CE1 4.36Å; P632-Y634 PolarHBondContact O-N 3.11Å; P632-M635 HydrophobicContact CB-CG 4.35Å; P632-M635 HydrophobicContact CB-SD 4.32Å; P632-M635 HydrophobicContact CG-SD 4.2Å; P632-M635 PolarHBondContact O-N 3.18Å; P632-P684 HydrophobicContact CG-CG 3.98Å
633	L	93.8	Very high	82.9	Confident	13 Å²	13	63.4 Å²	63.4	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-27.7	-175	-65.4	176.8	0	0	0	113.1	F598 Y625 Q631 M635 I636 E637 L658	F598-L633 HydrophobicContact CE2-CB 4Å; F598-L633 HydrophobicContact CZ-CB 4.08Å; Y625-L633 WeakPolarHBondContact O-CB 3.44Å; Y625-L633 WeakPolarHBondContact O-CG 3.46Å; Y625-L633 PolarHBondContact O-N 3.21Å; Q631-L633 PolarHBondContact O-N 3.4Å; L633-M635 VanDerWaalsContact C-N 3.27Å; L633-M635 PolarHBondContact O-N 2.88Å; L633-I636 HydrophobicContact CD2-CD1 4.01Å; L633-I636 PolarHBondContact O-N 3.03Å; L633-E637 PolarHBondContact O-N 3.02Å; L633-L658 HydrophobicContact CB-CD1 4.19Å; L633-L658 HydrophobicContact CB-CG 4.46Å; L633-L658 HydrophobicContact CD1-CD2 4.26Å; L633-L658 HydrophobicContact CD1-CG 4.1Å; L633-L658 HydrophobicContact CD2-CD1 3.94Å; L633-L658 HydrophobicContact CD2-CG 4.07Å; L633-L658 HydrophobicContact CG-CD1 4.47Å; L633-L658 HydrophobicContact CG-CG 4.43Å
634	Y	91.2	Very high	80.5	Confident	8 Å²	8	61.3 Å²	61.3	3%	0.031	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-33.8	179.3	85	-93.7	0	0	0	112.4	F598 A602 M605 P632 E637 Q638 R681 K682 P684	F598-Y634 VanDerWaalsContact CE1-CB 3.46Å; A602-Y634 HydrophobicContact CB-CD1 3.83Å; A602-Y634 HydrophobicContact CB-CD2 4Å; A602-Y634 HydrophobicContact CB-CE1 4.05Å; A602-Y634 HydrophobicContact CB-CE2 4.2Å; A602-Y634 HydrophobicContact CB-CG 3.81Å; M605-Y634 HydrophobicContact CE-CD1 3.78Å; M605-Y634 HydrophobicContact CE-CE1 3.63Å; M605-Y634 HydrophobicContact SD-CE1 4.36Å; P632-Y634 HydrophobicContact CB-CD1 3.59Å; P632-Y634 HydrophobicContact CB-CE1 3.57Å; P632-Y634 HydrophobicContact CG-CE1 4.36Å; P632-Y634 PolarHBondContact O-N 3.11Å; Y634-E637 PolarHBondContact O-N 3.02Å; Y634-Q638 VanDerWaalsContact O-CG 3.29Å; Y634-Q638 WeakPolarHBondContact O-CG 3.39Å; Y634-Q638 PolarHBondContact O-N 3.26Å; Y634-R681 HydrophobicContact CD2-CB 4.3Å; Y634-R681 HydrophobicContact CE2-CB 3.89Å; Y634-K682 WeakPolarHBondContact CE2-O 3.41Å; Y634-K682 PolarHBondContact OH-O 2.89Å; Y634-P684 WeakPolarHBondContact OH-CD 3.48Å
635	M	89.3	Confident	78.2	Confident	49 Å²	49	68.1 Å²	68.1	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-66	-42	176.6	-63.5	177.7	68.4	0	0	111	P632 L633 Q638 Q639 P684	P632-M635 HydrophobicContact CB-CG 4.35Å; P632-M635 HydrophobicContact CB-SD 4.32Å; P632-M635 HydrophobicContact CG-SD 4.2Å; P632-M635 PolarHBondContact O-N 3.18Å; L633-M635 VanDerWaalsContact C-N 3.27Å; L633-M635 PolarHBondContact O-N 2.88Å; M635-Q638 PolarHBondContact O-N 2.87Å; M635-Q639 VanDerWaalsContact O-CG 3.31Å; M635-Q639 WeakPolarHBondContact O-CG 3.1Å; M635-Q639 PolarHBondContact O-N 3.35Å; M635-P684 WeakPolarHBondContact SD-CD 3.31Å; M635-P684 HydrophobicContact SD-CG 4.02Å
636	I	82.1	Confident	76	Confident	39 Å²	39	75 Å²	75	20%	0.2	40%	0.403	C	S	.	.	H	α-helix	trans	-66.7	-40	179.5	-40.7	179.8	0	0	0	110.2	L633 Q639 K640 L655	L633-I636 HydrophobicContact CD2-CD1 4.01Å; L633-I636 PolarHBondContact O-N 3.03Å; I636-Q639 PolarHBondContact O-N 3.49Å; I636-K640 PolarHBondContact O-N 2.85Å; I636-L655 HydrophobicContact CG2-CD2 3.71Å; I636-L655 HydrophobicContact CG2-CG 4.43Å
637	E	77.6	Confident	73.8	Confident	49 Å²	49	78 Å²	78	23%	0.229	42%	0.418	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.8	-176.3	160.2	-125.8	0	0	112.6	L633 Y634 K640 H641	L633-E637 PolarHBondContact O-N 3.02Å; Y634-E637 PolarHBondContact O-N 3.02Å; E637-K640 WeakPolarHBondContact O-CB 3.28Å; E637-K640 PolarHBondContact O-N 2.97Å; E637-H641 PolarHBondContact O-CD2 2.8Å
638	Q	78.2	Confident	72	Confident	44 Å²	44	80.1 Å²	80.1	21%	0.206	43%	0.429	C	S	.	.	H	α-helix	trans	-65.1	-39.5	175	-70.9	178.2	5.9	0	0	112.8	Y634 M635 K640 H641 S642 L680 R681	Y634-Q638 VanDerWaalsContact O-CG 3.29Å; Y634-Q638 WeakPolarHBondContact O-CG 3.39Å; Y634-Q638 PolarHBondContact O-N 3.26Å; M635-Q638 PolarHBondContact O-N 2.87Å; Q638-K640 VanDerWaalsContact C-N 3.29Å; Q638-K640 PolarHBondContact O-N 3.44Å; Q638-H641 WeakPolarHBondContact O-CB 3.44Å; Q638-H641 PolarHBondContact O-N 3.16Å; Q638-S642 PolarHBondContact O-N 3.11Å; Q638-L680 HydrophobicContact CB-CD1 4.02Å; Q638-L680 VanDerWaalsContact CD-CD1 3.47Å; Q638-L680 HydrophobicContact CG-CD1 3.62Å; Q638-R681 VanDerWaalsContact NE2-N 3.14Å; Q638-R681 PolarHBondContact NE2-O 3.28Å; Q638-R681 PolarHBondContact OE1-O 3.22Å
639	Q	71.3	Confident	70.6	Confident	109 Å²	109	79.2 Å²	79.2	51%	0.509	41%	0.414	S	S	.	.	H	α-helix	trans	-59.3	-36.4	178.9	-77.5	170.7	-7.1	0	0	112.7	M635 I636 H641 S642 Y643	M635-Q639 VanDerWaalsContact O-CG 3.31Å; M635-Q639 WeakPolarHBondContact O-CG 3.1Å; M635-Q639 PolarHBondContact O-N 3.35Å; I636-Q639 PolarHBondContact O-N 3.49Å; Q639-H641 PolarHBondContact O-N 2.86Å; Q639-S642 PolarHBondContact O-N 3.32Å; Q639-S642 VanDerWaalsContact O-N 3.08Å; Q639-Y643 PolarHBondContact O-N 2.83Å
640	K	62.3	Low	69	Low	59 Å²	59	82.6 Å²	82.6	26%	0.257	42%	0.424	S	S	.	.	H	α-helix	trans	-55.6	-32.4	171.9	-57.3	172.6	-169	167	0	113.3	I636 E637 Q638 L655	I636-K640 PolarHBondContact O-N 2.85Å; E637-K640 WeakPolarHBondContact O-CB 3.28Å; E637-K640 PolarHBondContact O-N 2.97Å; Q638-K640 VanDerWaalsContact C-N 3.29Å; Q638-K640 PolarHBondContact O-N 3.44Å; K640-L655 HydrophobicContact CD-CD1 4.42Å; K640-L655 HydrophobicContact CG-CD1 4.21Å
641	H	59.4	Low	67.2	Low	154 Å²	154	84.4 Å²	84.4	71%	0.713	43%	0.433	S	S	*	.	H	α-helix	trans	-85.6	-12.1	-177.1	-70.9	-62.4	0	0	0	112.9	E637 Q638 Q639	E637-H641 PolarHBondContact O-CD2 2.8Å; Q638-H641 WeakPolarHBondContact O-CB 3.44Å; Q638-H641 PolarHBondContact O-N 3.16Å; Q639-H641 PolarHBondContact O-N 2.86Å
642	S	56.1	Low	65.4	Low	93 Å²	93	84.7 Å²	84.7	65%	0.65	43%	0.433	S	S	*	.	H	α-helix	trans	-96	-37.8	171.3	-63.6	0	0	0	0	112.9	Q638 Q639	Q638-S642 PolarHBondContact O-N 3.11Å; Q639-S642 PolarHBondContact O-N 3.32Å; Q639-S642 VanDerWaalsContact O-N 3.08Å
643	Y	51.5	Low	63.7	Low	166 Å²	166	90.6 Å²	90.6	65%	0.651	46%	0.46	S	S	*	.	S	Bend	trans	-110.2	105.1	179.6	-77.7	-91.4	0	0	0	111.5	Q639 N645	Q639-Y643 PolarHBondContact O-N 2.83Å; Y643-N645 PolarHBondContact O-N 2.79Å
644	G	44.1	Very low	61.9	Low	64 Å²	64	92.2 Å²	92.2	66%	0.66	48%	0.476	S	S	*	.			trans	-73.6	119.7	177.5	0	0	0	0	0	112.7	E646	G644-E646 PolarHBondContact O-N 3.01Å
645	N	46.2	Very low	60.1	Low	177 Å²	177	93 Å²	93	95%	0.947	48%	0.481	S	S	*	.	S	Bend	trans	60.8	-7.9	164	-66.5	-7.7	0	0	0	119.8	Y643	Y643-N645 PolarHBondContact O-N 2.79Å
646	E	48.7	Very low	58.6	Low	168 Å²	168	94 Å²	94	79%	0.785	49%	0.49	S	S	*	.			trans	-100.5	97.4	174.7	-70.2	-175.7	172.9	0	0	112	G644	G644-E646 PolarHBondContact O-N 3.01Å
647	Q	50.5	Low	57.6	Low	71 Å²	71	95.9 Å²	95.9	33%	0.332	50%	0.5	S	S	.	.			trans	-149.6	143.7	174.9	-114.5	110.8	85.5	0	0	112.8	T651 K652	Q647-T651 HydrophobicContact CG-CG2 4.4Å; Q647-T651 WeakPolarHBondContact CG-OG1 3.36Å; Q647-K652 WeakPolarHBondContact O-CE 3.49Å
648	S	54.8	Low	56.6	Low	68 Å²	68	93.9 Å²	93.9	48%	0.476	49%	0.491	S	S	.	.			trans	-59.7	159.9	179.4	72.5	0	0	0	0	114.3	K650 T651 K652	S648-K650 VanDerWaalsContact C-N 3.3Å; S648-K650 PolarHBondContact O-N 3.29Å; S648-T651 PolarHBondContact N-OG1 2.94Å; S648-T651 PolarHBondContact O-N 3.44Å; S648-T651 VanDerWaalsContact O-N 3.09Å; S648-T651 PolarHBondContact O-OG1 3.38Å; S648-T651 PolarHBondContact OG-N 3.25Å; S648-T651 PolarHBondContact OG-OG1 2.93Å; S648-K652 PolarHBondContact O-N 3.47Å; S648-K652 VanDerWaalsContact O-N 3.11Å
649	D	57	Low	55.6	Low	112 Å²	112	95.3 Å²	95.3	60%	0.599	50%	0.5	S	S	*	.	H	α-helix	trans	-65.8	-31.5	179.1	-58.4	-63.6	0	0	0	113.3	T651 K652 E653	D649-T651 VanDerWaalsContact C-N 3.27Å; D649-T651 PolarHBondContact O-N 3.24Å; D649-K652 WeakPolarHBondContact O-CB 3.2Å; D649-K652 PolarHBondContact O-N 3.04Å; D649-K652 VanDerWaalsContact O-N 3.09Å; D649-K652 WeakPolarHBondContact OD1-CD 3.39Å; D649-K652 WeakPolarHBondContact OD1-CE 3.48Å; D649-K652 IonicContact OD1-NZ 3.72Å; D649-K652 PolarHBondContact OD1-NZ 2.93Å; D649-E653 PolarHBondContact O-N 2.9Å
650	K	54.9	Low	55	Low	179 Å²	179	96.6 Å²	96.6	78%	0.778	50%	0.504	S	S	*	.	H	α-helix	trans	-58.4	-37.4	171.6	-67.8	-176.8	178.8	177.9	0	112.2	S648 A654	S648-K650 VanDerWaalsContact C-N 3.3Å; S648-K650 PolarHBondContact O-N 3.29Å; K650-A654 PolarHBondContact O-N 2.95Å
651	T	53.3	Low	54.5	Low	45 Å²	45	94.6 Å²	94.6	28%	0.276	50%	0.498	S	S	.	.	H	α-helix	trans	-74.8	-37.2	173.7	30.9	0	0	0	0	112	Q647 S648 D649 E653 A654 L655	Q647-T651 HydrophobicContact CG-CG2 4.4Å; Q647-T651 WeakPolarHBondContact CG-OG1 3.36Å; S648-T651 PolarHBondContact N-OG1 2.94Å; S648-T651 PolarHBondContact O-N 3.44Å; S648-T651 VanDerWaalsContact O-N 3.09Å; S648-T651 PolarHBondContact O-OG1 3.38Å; S648-T651 PolarHBondContact OG-N 3.25Å; S648-T651 PolarHBondContact OG-OG1 2.93Å; D649-T651 VanDerWaalsContact C-N 3.27Å; D649-T651 PolarHBondContact O-N 3.24Å; T651-E653 VanDerWaalsContact C-N 3.31Å; T651-E653 PolarHBondContact O-N 2.94Å; T651-A654 PolarHBondContact O-N 3.45Å; T651-L655 WeakPolarHBondContact O-CB 3.32Å; T651-L655 WeakPolarHBondContact O-CG 3.47Å; T651-L655 PolarHBondContact O-N 3.07Å
652	K	56.2	Low	54	Low	110 Å²	110	90.3 Å²	90.3	48%	0.478	48%	0.479	S	S	.	.	H	α-helix	trans	-60.1	-38.3	173.7	-61.4	173.7	-160	160.5	0	112.6	Q647 S648 D649 L655 T656	Q647-K652 WeakPolarHBondContact O-CE 3.49Å; S648-K652 PolarHBondContact O-N 3.47Å; S648-K652 VanDerWaalsContact O-N 3.11Å; D649-K652 WeakPolarHBondContact O-CB 3.2Å; D649-K652 PolarHBondContact O-N 3.04Å; D649-K652 VanDerWaalsContact O-N 3.09Å; D649-K652 WeakPolarHBondContact OD1-CD 3.39Å; D649-K652 WeakPolarHBondContact OD1-CE 3.48Å; D649-K652 IonicContact OD1-NZ 3.72Å; D649-K652 PolarHBondContact OD1-NZ 2.93Å; K652-L655 PolarHBondContact O-N 3.41Å; K652-T656 PolarHBondContact O-N 2.96Å; K652-T656 PolarHBondContact O-OG1 3.24Å
653	E	59.1	Low	53.5	Low	125 Å²	125	91.4 Å²	91.4	58%	0.584	48%	0.478	S	S	*	.	H	α-helix	trans	-68	-49.3	177.9	-173.4	176.8	-163.1	0	0	112.2	D649 T651 L655 T656 N657	D649-E653 PolarHBondContact O-N 2.9Å; T651-E653 VanDerWaalsContact C-N 3.31Å; T651-E653 PolarHBondContact O-N 2.94Å; E653-L655 PolarHBondContact O-N 3.1Å; E653-T656 WeakPolarHBondContact CA-OG1 3.37Å; E653-T656 PolarHBondContact O-N 3.27Å; E653-T656 PolarHBondContact O-OG1 2.92Å; E653-N657 PolarHBondContact O-N 3.28Å; E653-N657 VanDerWaalsContact O-N 3.11Å; E653-N657 PolarHBondContact O-ND2 3.04Å
654	A	56.1	Low	53.4	Low	48 Å²	48	88 Å²	88	40%	0.397	48%	0.478	S	S	.	.	H	α-helix	trans	-54.9	-41.5	174.3	0	0	0	0	0	111.5	K650 T651 N657 L658	K650-A654 PolarHBondContact O-N 2.95Å; T651-A654 PolarHBondContact O-N 3.45Å; A654-N657 PolarHBondContact O-N 3.04Å; A654-L658 WeakPolarHBondContact O-CB 3.25Å; A654-L658 PolarHBondContact O-N 3.24Å
655	L	52.6	Low	53.4	Low	24 Å²	24	88.5 Å²	88.5	13%	0.126	47%	0.472	C	S	.	.	H	α-helix	trans	-75	-30.9	-178.5	-68.3	177.6	0	0	0	114.5	I636 K640 T651 K652 E653 L658 N659	I636-L655 HydrophobicContact CG2-CD2 3.71Å; I636-L655 HydrophobicContact CG2-CG 4.43Å; K640-L655 HydrophobicContact CD-CD1 4.42Å; K640-L655 HydrophobicContact CG-CD1 4.21Å; T651-L655 WeakPolarHBondContact O-CB 3.32Å; T651-L655 WeakPolarHBondContact O-CG 3.47Å; T651-L655 PolarHBondContact O-N 3.07Å; K652-L655 PolarHBondContact O-N 3.41Å; E653-L655 PolarHBondContact O-N 3.1Å; L655-L658 HydrophobicContact CD2-CD1 3.77Å; L655-L658 WeakPolarHBondContact O-CB 3.22Å; L655-L658 PolarHBondContact O-N 3.49Å; L655-N659 WeakPolarHBondContact O-CB 3.32Å; L655-N659 PolarHBondContact O-N 3.21Å
656	T	59.6	Low	53.1	Low	71 Å²	71	83.6 Å²	83.6	44%	0.436	45%	0.451	S	S	.	.	H	α-helix	trans	-71.1	-33.9	171.8	39.2	0	0	0	0	111.6	K652 E653 N659 K660	K652-T656 PolarHBondContact O-N 2.96Å; K652-T656 PolarHBondContact O-OG1 3.24Å; E653-T656 WeakPolarHBondContact CA-OG1 3.37Å; E653-T656 PolarHBondContact O-N 3.27Å; E653-T656 PolarHBondContact O-OG1 2.92Å; T656-N659 PolarHBondContact O-N 3.22Å; T656-K660 WeakPolarHBondContact O-CG 3.31Å; T656-K660 PolarHBondContact O-N 3.32Å
657	N	60.8	Low	52.6	Low	77 Å²	77	80.3 Å²	80.3	41%	0.412	44%	0.443	S	S	.	.	H	α-helix	trans	-70.5	-37.6	172	-66.8	-30.6	0	0	0	112.2	E653 A654 N659 K660 S661	E653-N657 PolarHBondContact O-N 3.28Å; E653-N657 VanDerWaalsContact O-N 3.11Å; E653-N657 PolarHBondContact O-ND2 3.04Å; A654-N657 PolarHBondContact O-N 3.04Å; N657-N659 PolarHBondContact O-N 2.92Å; N657-K660 PolarHBondContact O-N 3Å; N657-K660 PolarHBondContact OD1-NZ 3.17Å; N657-S661 PolarHBondContact O-N 3.46Å
658	L	56.6	Low	51.7	Low	8 Å²	8	87.1 Å²	87.1	4%	0.042	47%	0.471	C	S	.	.	H	α-helix	trans	-56.4	-48.8	169.7	-137.6	172.4	0	0	0	111.4	L633 A654 L655 K660 S661 L662	L633-L658 HydrophobicContact CB-CD1 4.19Å; L633-L658 HydrophobicContact CB-CG 4.46Å; L633-L658 HydrophobicContact CD1-CD2 4.26Å; L633-L658 HydrophobicContact CD1-CG 4.1Å; L633-L658 HydrophobicContact CD2-CD1 3.94Å; L633-L658 HydrophobicContact CD2-CG 4.07Å; L633-L658 HydrophobicContact CG-CD1 4.47Å; L633-L658 HydrophobicContact CG-CG 4.43Å; A654-L658 WeakPolarHBondContact O-CB 3.25Å; A654-L658 PolarHBondContact O-N 3.24Å; L655-L658 HydrophobicContact CD2-CD1 3.77Å; L655-L658 WeakPolarHBondContact O-CB 3.22Å; L655-L658 PolarHBondContact O-N 3.49Å; L658-K660 VanDerWaalsContact C-N 3.34Å; L658-K660 PolarHBondContact O-N 3.04Å; L658-S661 PolarHBondContact O-N 2.84Å; L658-L662 HydrophobicContact CD2-CD1 3.59Å; L658-L662 HydrophobicContact CD2-CG 3.97Å; L658-L662 WeakPolarHBondContact O-CG 3.4Å; L658-L662 PolarHBondContact O-N 3.42Å
659	N	55.8	Low	50.9	Low	73 Å²	73	90.9 Å²	90.9	39%	0.39	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-32.8	177.4	-75.8	-14.8	0	0	0	113.1	L655 T656 N657 N663	L655-N659 WeakPolarHBondContact O-CB 3.32Å; L655-N659 PolarHBondContact O-N 3.21Å; T656-N659 PolarHBondContact O-N 3.22Å; N657-N659 PolarHBondContact O-N 2.92Å; N659-N663 WeakPolarHBondContact O-CB 3.48Å; N659-N663 PolarHBondContact O-N 2.68Å; N659-N663 PolarHBondContact O-ND2 3.29Å
660	K	59.6	Low	49.8	Very low	136 Å²	136	95.2 Å²	95.2	59%	0.591	50%	0.495	S	S	*	.	H	α-helix	trans	-65.6	-44.7	172.8	-69.7	166.4	-165.7	164.1	0	111.1	T656 N657 L658 N663 S664	T656-K660 WeakPolarHBondContact O-CG 3.31Å; T656-K660 PolarHBondContact O-N 3.32Å; N657-K660 PolarHBondContact O-N 3Å; N657-K660 PolarHBondContact OD1-NZ 3.17Å; L658-K660 VanDerWaalsContact C-N 3.34Å; L658-K660 PolarHBondContact O-N 3.04Å; K660-N663 PolarHBondContact O-N 3.48Å; K660-S664 PolarHBondContact O-N 3.11Å; K660-S664 VanDerWaalsContact O-N 3.09Å
661	S	52.5	Low	48.6	Very low	18 Å²	18	98.8 Å²	98.8	13%	0.126	50%	0.503	C	S	.	.	H	α-helix	trans	-63.1	-42.5	178.3	-172.5	0	0	0	0	112.9	H623 H624 N657 L658 S664	H623-S661 PolarHBondContact O-OG 3.26Å; H624-S661 PolarHBondContact ND1-OG 3.31Å; N657-S661 PolarHBondContact O-N 3.46Å; L658-S661 PolarHBondContact O-N 2.84Å; S661-S664 PolarHBondContact O-OG 3.39Å
662	L	48.9	Very low	47.4	Very low	63 Å²	63	102.4 Å²	102.4	33%	0.33	53%	0.53	S	S	.	.	H	α-helix	trans	-69.1	-36.1	178	-71.2	171.9	0	0	0	113.3	L658 S666	L658-L662 HydrophobicContact CD2-CD1 3.59Å; L658-L662 HydrophobicContact CD2-CG 3.97Å; L658-L662 WeakPolarHBondContact O-CG 3.4Å; L658-L662 PolarHBondContact O-N 3.42Å; L662-S666 PolarHBondContact O-OG 3.44Å
663	N	45.4	Very low	46.3	Very low	116 Å²	116	99.9 Å²	99.9	62%	0.62	54%	0.536	S	S	*	.	H	α-helix	trans	-80.6	-27.6	-178.6	-77.1	-64.8	0	0	0	113.6	N659 K660 S665 S666	N659-N663 WeakPolarHBondContact O-CB 3.48Å; N659-N663 PolarHBondContact O-N 2.68Å; N659-N663 PolarHBondContact O-ND2 3.29Å; K660-N663 PolarHBondContact O-N 3.48Å; N663-S665 VanDerWaalsContact C-N 3.26Å; N663-S665 PolarHBondContact O-N 3.44Å; N663-S666 PolarHBondContact O-N 3.34Å
664	S	47.9	Very low	45	Very low	94 Å²	94	99.7 Å²	99.7	66%	0.657	55%	0.548	S	S	*	.	H	α-helix	trans	-65.2	-30.6	175.2	63.1	0	0	0	0	112.7	K660 S661	K660-S664 PolarHBondContact O-N 3.11Å; K660-S664 VanDerWaalsContact O-N 3.09Å; S661-S664 PolarHBondContact O-OG 3.39Å
665	S	45.2	Very low	44.1	Very low	76 Å²	76	106.5 Å²	106.5	53%	0.531	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.1	-4.9	-179.8	-55	0	0	0	0	114.1	H624 N663	H624-S665 PolarHBondContact CE1-OG 2.92Å; N663-S665 VanDerWaalsContact C-N 3.26Å; N663-S665 PolarHBondContact O-N 3.44Å
666	S	39.3	Very low	43.8	Very low	73 Å²	73	111 Å²	111	51%	0.51	59%	0.59	S	S	.	*			trans	-106.2	91.8	-172.4	-67.4	0	0	0	0	112.5	L662 N663 K668	L662-S666 PolarHBondContact O-OG 3.44Å; N663-S666 PolarHBondContact O-N 3.34Å; S666-K668 PolarHBondContact O-N 3.35Å
667	T	39.1	Very low	43	Very low	99 Å²	99	119 Å²	119	61%	0.607	61%	0.612	S	S	*	*			trans	-56.9	126.3	167.3	45	0	0	0	0	110.5	H669	T667-H669 PolarHBondContact O-N 2.93Å
668	K	31.6	Very low	42.8	Very low	214 Å²	214	121.4 Å²	121.4	93%	0.93	62%	0.621	S	S	*	*			trans	-55.6	84.2	-164.8	-65.4	-179.9	178.1	178.8	0	115.4	S666	S666-K668 PolarHBondContact O-N 3.35Å
669	H	38.1	Very low	43.4	Very low	147 Å²	147	127 Å²	127	68%	0.681	65%	0.645	S	S	*	*			trans	-103.4	123.1	161.5	-77.7	-88.2	0	0	0	110.2	T667 R671	T667-H669 PolarHBondContact O-N 2.93Å; H669-R671 PolarHBondContact O-N 3.44Å
670	K	32.8	Very low	44.6	Very low	203 Å²	203	129.5 Å²	129.5	88%	0.883	66%	0.657	S	S	*	*			trans	-60.4	128.2	169.2	-72	-177.6	174.5	-177.8	0	108.4	S672	K670-S672 VanDerWaalsContact C-N 3.28Å; K670-S672 PolarHBondContact O-N 3.08Å
671	R	30.4	Very low	45.9	Very low	255 Å²	255	123.4 Å²	123.4	96%	0.962	63%	0.631	S	S	*	*			trans	-69.1	79.5	175.9	-81.4	-179.1	163.8	178.1	-5.9	111.1	H669	H669-R671 PolarHBondContact O-N 3.44Å
672	S	29.2	Very low	47.6	Very low	120 Å²	120	127.4 Å²	127.4	84%	0.839	65%	0.646	S	S	*	*			trans	-94.2	86.3	166.1	56.6	0	0	0	0	109.6	K670	K670-S672 VanDerWaalsContact C-N 3.28Å; K670-S672 PolarHBondContact O-N 3.08Å
673	G	31.4	Very low	49.7	Very low	58 Å²	58	127.1 Å²	127.1	60%	0.598	65%	0.649	S	S	*	*	S	Bend	trans	-178.6	143.9	180	0	0	0	0	0	110.7
674	S	31.4	Very low	52.1	Low	120 Å²	120	123.1 Å²	123.1	84%	0.839	63%	0.629	S	S	*	*			trans	-55.1	143.2	-173.1	-56.7	0	0	0	0	112.9	K676	S674-K676 PolarHBondContact O-N 2.95Å
675	H	38.4	Very low	54.3	Low	191 Å²	191	120.9 Å²	120.9	88%	0.884	62%	0.621	S	S	*	*			trans	-67.6	80.7	166.2	-68.5	24.4	0	0	0	109.6	R677	H675-R677 PolarHBondContact O-N 3.4Å
676	K	45.6	Very low	56.6	Low	119 Å²	119	119.4 Å²	119.4	52%	0.517	61%	0.611	S	S	.	*			trans	-56.4	125.8	157.7	-102.9	-174	172.7	-176.5	0	106.5	C40 S674 Q678	C40-K676 PolarHBondContact SG-NZ 3.22Å; C40-K676 VanDerWaalsContact SG-NZ 3.43Å; S674-K676 PolarHBondContact O-N 2.95Å; K676-Q678 PolarHBondContact O-N 2.96Å
677	R	43.7	Very low	59	Low	240 Å²	240	117.6 Å²	117.6	91%	0.906	60%	0.595	S	S	*	*			trans	-62.8	108.1	170.5	-71.3	173.6	62.2	177.2	0.5	107.2	H675 K679	H675-R677 PolarHBondContact O-N 3.4Å; R677-K679 PolarHBondContact O-N 3.16Å
678	Q	55.6	Low	61.6	Low	127 Å²	127	116.5 Å²	116.5	59%	0.593	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-51.6	136.2	167.7	-75.4	169.9	-59.1	0	0	108.3	K676 L680	K676-Q678 PolarHBondContact O-N 2.96Å; Q678-L680 PolarHBondContact O-N 3.23Å
679	K	70.1	Confident	64.5	Low	125 Å²	125	106.7 Å²	106.7	54%	0.543	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-67.3	120.6	178.3	-174.8	-177.3	174.9	-165.8	0	108.2	R677 R681	R677-K679 PolarHBondContact O-N 3.16Å; K679-R681 PolarHBondContact O-N 3.48Å; K679-R681 VanDerWaalsContact O-N 3.14Å
680	L	80.1	Confident	67.1	Low	125 Å²	125	102.8 Å²	102.8	65%	0.654	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-62.2	118.6	174.7	-163.3	77	0	0	0	108.5	Q638 Q678	Q638-L680 HydrophobicContact CB-CD1 4.02Å; Q638-L680 VanDerWaalsContact CD-CD1 3.47Å; Q638-L680 HydrophobicContact CG-CD1 3.62Å; Q678-L680 PolarHBondContact O-N 3.23Å
681	R	88.2	Confident	69.8	Low	9 Å²	9	96.7 Å²	96.7	3%	0.034	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-89.2	138.1	174.1	-53.9	-59	178	164.6	0.1	108.7	P593 D599 A602 C603 Y634 Q638 K679	P593-R681 PolarHBondContact O-NH2 2.91Å; D599-R681 VanDerWaalsContact CG-NH2 3.34Å; D599-R681 IonicContact OD1-CZ 3.43Å; D599-R681 IonicContact OD1-NE 2.67Å; D599-R681 PolarHBondContact OD1-NE 2.87Å; D599-R681 IonicContact OD1-NH2 2.75Å; D599-R681 PolarHBondContact OD1-NH2 2.9Å; D599-R681 IonicContact OD2-CZ 3.37Å; D599-R681 IonicContact OD2-NE 3.21Å; D599-R681 IonicContact OD2-NH2 2.65Å; D599-R681 PolarHBondContact OD2-NH2 3.47Å; A602-R681 HydrophobicContact CB-CB 4.32Å; A602-R681 HydrophobicContact CB-CG 3.96Å; C603-R681 PolarHBondContact SG-NH1 3.13Å; C603-R681 PolarHBondContact SG-NH2 3.09Å; C603-R681 VanDerWaalsContact SG-NH2 3.35Å; Y634-R681 HydrophobicContact CD2-CB 4.3Å; Y634-R681 HydrophobicContact CE2-CB 3.89Å; Q638-R681 VanDerWaalsContact NE2-N 3.14Å; Q638-R681 PolarHBondContact NE2-O 3.28Å; Q638-R681 PolarHBondContact OE1-O 3.22Å; K679-R681 PolarHBondContact O-N 3.48Å; K679-R681 VanDerWaalsContact O-N 3.14Å
682	K	88.4	Confident	72.7	Confident	101 Å²	101	85.2 Å²	85.2	44%	0.439	47%	0.469	S	S	.	.			trans	-69.1	178.6	175.3	-54.6	166	177.4	177.9	0	111.6	E606 Y634 S686	E606-K682 HydrophobicContact CG-CB 4.23Å; E606-K682 HydrophobicContact CG-CD 4.46Å; E606-K682 WeakPolarHBondContact OE1-CB 3.41Å; E606-K682 VanDerWaalsContact OE1-CG 3.24Å; E606-K682 WeakPolarHBondContact OE1-CG 3.32Å; E606-K682 PolarHBondContact OE1-N 2.87Å; Y634-K682 WeakPolarHBondContact CE2-O 3.41Å; Y634-K682 PolarHBondContact OH-O 2.89Å; K682-S686 WeakPolarHBondContact CB-OG 3.19Å; K682-S686 WeakPolarHBondContact CD-OG 3.39Å; K682-S686 PolarHBondContact NZ-O 2.85Å; K682-S686 VanDerWaalsContact NZ-O 3.13Å
683	S	92.4	Very high	75.6	Confident	58 Å²	58	79.5 Å²	79.5	41%	0.406	43%	0.429	S	S	.	.			trans	-64.3	159.3	170.8	50.4	0	0	0	0	112.4	G685 S686	S683-G685 PolarHBondContact O-N 2.62Å; S683-S686 WeakPolarHBondContact O-CB 3.46Å; S683-S686 PolarHBondContact O-N 3.44Å; S683-S686 PolarHBondContact O-OG 2.9Å; S683-S686 WeakPolarHBondContact OG-CB 3.49Å
684	P	95.2	Very high	78.2	Confident	31 Å²	31	79 Å²	79	20%	0.201	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	138.5	177.8	-24.2	33.2	0	0	0	112.7	M605 V610 P632 Y634 M635 S686	M605-P684 HydrophobicContact CB-CB 4.18Å; M605-P684 HydrophobicContact CB-CG 4.28Å; M605-P684 CarbonylContact O-C 3.28Å; M605-P684 WeakPolarHBondContact O-CA 3.33Å; V610-P684 HydrophobicContact CG2-CB 3.7Å; V610-P684 HydrophobicContact CG2-CG 3.69Å; P632-P684 HydrophobicContact CG-CG 3.98Å; Y634-P684 WeakPolarHBondContact OH-CD 3.48Å; M635-P684 WeakPolarHBondContact SD-CD 3.31Å; M635-P684 HydrophobicContact SD-CG 4.02Å; P684-S686 PolarHBondContact O-N 3.16Å
685	G	93.8	Very high	80.3	Confident	47 Å²	47	77 Å²	77	49%	0.485	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	16.6	177.4	0	0	0	0	0	115.5	M605 S683 M687	M605-G685 PolarHBondContact O-N 3.05Å; S683-G685 PolarHBondContact O-N 2.62Å; G685-M687 VanDerWaalsContact C-N 3.26Å; G685-M687 PolarHBondContact O-N 3Å
686	S	93.3	Very high	81.6	Confident	46 Å²	46	68.5 Å²	68.5	32%	0.322	36%	0.363	S	S	.	.	S	Bend	trans	-90.9	16.4	180	64.5	0	0	0	0	114	E606 K682 S683 P684	E606-S686 PolarHBondContact O-N 3.42Å; K682-S686 WeakPolarHBondContact CB-OG 3.19Å; K682-S686 WeakPolarHBondContact CD-OG 3.39Å; K682-S686 PolarHBondContact NZ-O 2.85Å; K682-S686 VanDerWaalsContact NZ-O 3.13Å; S683-S686 WeakPolarHBondContact O-CB 3.46Å; S683-S686 PolarHBondContact O-N 3.44Å; S683-S686 PolarHBondContact O-OG 2.9Å; S683-S686 WeakPolarHBondContact OG-CB 3.49Å; P684-S686 PolarHBondContact O-N 3.16Å
687	M	90.8	Very high	82.2	Confident	34 Å²	34	71.8 Å²	71.8	17%	0.167	38%	0.377	C	S	.	.	S	Bend	trans	-151	126.5	172	-167.3	160.2	71.2	0	0	107	E606 I607 G685 D691 A692	E606-M687 HydrophobicContact CG-CE 4.4Å; E606-M687 PolarHBondContact O-N 3.33Å; I607-M687 WeakPolarHBondContact CA-O 3.35Å; I607-M687 HydrophobicContact CD1-CE 3.77Å; I607-M687 HydrophobicContact CG1-CE 3.58Å; G685-M687 VanDerWaalsContact C-N 3.26Å; G685-M687 PolarHBondContact O-N 3Å; M687-D691 HydrophobicContact CG-CB 3.59Å; M687-A692 HydrophobicContact CE-CB 4.01Å
688	T	92.4	Very high	82.6	Confident	76 Å²	76	63.2 Å²	63.2	47%	0.466	35%	0.349	S	S	.	.			trans	-74.5	164.9	173.4	67.7	0	0	0	0	110.5	V690 D691 A692	T688-V690 PolarHBondContact O-N 3.05Å; T688-V690 PolarHBondContact OG1-N 3.49Å; T688-D691 WeakPolarHBondContact CB-OD2 3.15Å; T688-D691 WeakPolarHBondContact CG2-OD2 3.47Å; T688-D691 PolarHBondContact N-OD2 3.25Å; T688-D691 WeakPolarHBondContact O-CB 3.29Å; T688-D691 PolarHBondContact O-N 3.13Å; T688-D691 PolarHBondContact OG1-N 3.22Å; T688-D691 PolarHBondContact OG1-OD2 3.17Å; T688-A692 PolarHBondContact O-N 3.08Å
689	L	92.7	Very high	82.6	Confident	9 Å²	9	57.1 Å²	57.1	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-36.6	170.8	179.3	63.4	0	0	0	111.6	L591 I607 A692 L693 I724 L727 E728 L731	L591-L689 HydrophobicContact CD1-CD1 4.27Å; L591-L689 HydrophobicContact CD2-CD1 4.14Å; I607-L689 HydrophobicContact CG2-CB 4.29Å; I607-L689 HydrophobicContact CG2-CD1 4.46Å; L689-A692 WeakPolarHBondContact O-CB 3.38Å; L689-A692 PolarHBondContact O-N 2.82Å; L689-L693 HydrophobicContact CD1-CD1 4.23Å; L689-L693 HydrophobicContact CD1-CG 4.41Å; L689-L693 HydrophobicContact CG-CD1 4.02Å; L689-L693 VanDerWaalsContact O-CG 3.28Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 3.04Å; L689-I724 HydrophobicContact CD2-CG2 4.39Å; L689-L727 HydrophobicContact CD2-CB 3.88Å; L689-E728 HydrophobicContact CD2-CG 3.57Å; L689-L731 HydrophobicContact CD1-CD1 4.22Å
690	V	92.7	Very high	81.9	Confident	65 Å²	65	53.2 Å²	53.2	39%	0.394	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-41.5	175.9	-177.8	0	0	0	0	111.1	T688 A692 L693 T694 I724	T688-V690 PolarHBondContact O-N 3.05Å; T688-V690 PolarHBondContact OG1-N 3.49Å; V690-A692 VanDerWaalsContact C-N 3.32Å; V690-A692 PolarHBondContact O-N 3.5Å; V690-L693 PolarHBondContact O-N 2.76Å; V690-T694 HydrophobicContact CG1-CG2 4.33Å; V690-T694 WeakPolarHBondContact O-CB 3.48Å; V690-T694 WeakPolarHBondContact O-CG2 3.48Å; V690-T694 PolarHBondContact O-N 2.95Å; V690-T694 PolarHBondContact O-OG1 3.43Å; V690-I724 HydrophobicContact CG2-CD1 4.27Å; V690-I724 HydrophobicContact CG2-CG1 4.35Å; V690-I724 HydrophobicContact CG2-CG2 4.11Å
691	D	90.5	Very high	80.6	Confident	75 Å²	75	47.9 Å²	47.9	40%	0.401	28%	0.281	S	S	.	.	H	α-helix	trans	-60.9	-41.4	172.9	-62.8	-53.6	0	0	0	111.2	M687 T688 L693 T694 S695	M687-D691 HydrophobicContact CG-CB 3.59Å; T688-D691 WeakPolarHBondContact CB-OD2 3.15Å; T688-D691 WeakPolarHBondContact CG2-OD2 3.47Å; T688-D691 PolarHBondContact N-OD2 3.25Å; T688-D691 WeakPolarHBondContact O-CB 3.29Å; T688-D691 PolarHBondContact O-N 3.13Å; T688-D691 PolarHBondContact OG1-N 3.22Å; T688-D691 PolarHBondContact OG1-OD2 3.17Å; D691-L693 VanDerWaalsContact C-N 3.34Å; D691-L693 PolarHBondContact O-N 3.41Å; D691-T694 PolarHBondContact O-N 2.83Å; D691-S695 WeakPolarHBondContact O-CB 3.34Å; D691-S695 PolarHBondContact O-N 3.16Å; D691-S695 PolarHBondContact O-OG 3.45Å
692	A	90.6	Very high	78.5	Confident	13 Å²	13	49.7 Å²	49.7	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-40.1	178.7	0	0	0	0	0	112.3	L591 I607 M687 T688 L689 V690	L591-A692 HydrophobicContact CD1-CB 3.78Å; I607-A692 HydrophobicContact CD1-CB 3.56Å; I607-A692 HydrophobicContact CG1-CB 4.27Å; M687-A692 HydrophobicContact CE-CB 4.01Å; T688-A692 PolarHBondContact O-N 3.08Å; L689-A692 WeakPolarHBondContact O-CB 3.38Å; L689-A692 PolarHBondContact O-N 2.82Å; V690-A692 VanDerWaalsContact C-N 3.32Å; V690-A692 PolarHBondContact O-N 3.5Å
693	L	90.9	Very high	76.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-78.7	-21.5	-179.1	-64.5	166.5	0	0	0	114	A583 I586 T587 L689 V690 D691 S699 L719 I724 L727	A583-L693 HydrophobicContact CB-CD2 3.72Å; I586-L693 HydrophobicContact CB-CD2 4.41Å; I586-L693 HydrophobicContact CD1-CD2 4.17Å; I586-L693 HydrophobicContact CG2-CD2 4.39Å; T587-L693 HydrophobicContact CG2-CD2 4.15Å; L689-L693 HydrophobicContact CD1-CD1 4.23Å; L689-L693 HydrophobicContact CD1-CG 4.41Å; L689-L693 HydrophobicContact CG-CD1 4.02Å; L689-L693 VanDerWaalsContact O-CG 3.28Å; L689-L693 WeakPolarHBondContact O-CG 3.47Å; L689-L693 PolarHBondContact O-N 3.04Å; V690-L693 PolarHBondContact O-N 2.76Å; D691-L693 VanDerWaalsContact C-N 3.34Å; D691-L693 PolarHBondContact O-N 3.41Å; L693-S699 PolarHBondContact O-OG 3.01Å; L693-S699 VanDerWaalsContact O-OG 3.1Å; L693-L719 HydrophobicContact CB-CD1 3.69Å; L693-L719 HydrophobicContact CD1-CD1 3.99Å; L693-L719 HydrophobicContact CG-CD1 4.49Å; L693-I724 HydrophobicContact CD1-CD1 3.71Å; L693-L727 HydrophobicContact CD1-CD1 3.74Å; L693-L727 HydrophobicContact CD2-CD1 4.43Å
694	T	86.2	Confident	73.6	Confident	47 Å²	47	50.5 Å²	50.5	29%	0.288	31%	0.305	S	S	.	.	H	α-helix	trans	-105.8	-24.8	-176.8	57	0	0	0	0	114	V690 D691 S696 C702 L719	V690-T694 HydrophobicContact CG1-CG2 4.33Å; V690-T694 WeakPolarHBondContact O-CB 3.48Å; V690-T694 WeakPolarHBondContact O-CG2 3.48Å; V690-T694 PolarHBondContact O-N 2.95Å; V690-T694 PolarHBondContact O-OG1 3.43Å; D691-T694 PolarHBondContact O-N 2.83Å; T694-S696 VanDerWaalsContact C-N 3.31Å; T694-S696 PolarHBondContact O-N 3.06Å; T694-C702 PolarHBondContact O-SG 3.07Å; T694-L719 HydrophobicContact CG2-CD1 4.25Å
695	S	75.8	Confident	71	Confident	80 Å²	80	53 Å²	53	56%	0.559	32%	0.323	S	S	*	.	S	Bend	trans	-72.7	-17.4	-179	60.1	0	0	0	0	114.7	D691 K697	D691-S695 WeakPolarHBondContact O-CB 3.34Å; D691-S695 PolarHBondContact O-N 3.16Å; D691-S695 PolarHBondContact O-OG 3.45Å; S695-K697 PolarHBondContact O-N 3.38Å
696	S	64.7	Low	68.5	Low	12 Å²	12	56.1 Å²	56.1	8%	0.084	34%	0.337	C	S	.	.			trans	-67.3	119.2	170.1	179.2	0	0	0	0	110.1	E589 T694 N698 S699	E589-S696 WeakPolarHBondContact OE2-CB 3.42Å; E589-S696 PolarHBondContact OE2-OG 3.27Å; T694-S696 VanDerWaalsContact C-N 3.31Å; T694-S696 PolarHBondContact O-N 3.06Å; S696-N698 PolarHBondContact O-N 2.9Å; S696-N698 PolarHBondContact OG-N 3.35Å; S696-S699 WeakPolarHBondContact O-CB 3.29Å; S696-S699 PolarHBondContact O-N 2.96Å
697	K	57.3	Low	66	Low	188 Å²	188	58.3 Å²	58.3	82%	0.817	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-13.3	175.7	-61	-175.8	179.5	-175.4	0	113.6	S695	S695-K697 PolarHBondContact O-N 3.38Å
698	N	51.9	Low	63.4	Low	59 Å²	59	66.9 Å²	66.9	32%	0.316	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-14.5	-179.1	-57.4	-41.3	0	0	0	112.5	F487 K488 E589 S696 S700	F487-N698 VanDerWaalsContact O-CB 3.31Å; F487-N698 WeakPolarHBondContact O-CB 3.19Å; K488-N698 CarbonylContact C-O 3.48Å; K488-N698 WeakPolarHBondContact CA-O 3.38Å; E589-N698 PolarHBondContact OE1-ND2 2.87Å; S696-N698 PolarHBondContact O-N 2.9Å; S696-N698 PolarHBondContact OG-N 3.35Å; N698-S700 PolarHBondContact O-N 2.86Å
699	S	56.6	Low	60.6	Low	0 Å²	0	68.1 Å²	68.1	0%	0	39%	0.389	C	S	.	.			trans	-55.1	130.9	-176.4	-173.7	0	0	0	0	112.1	L693 S696 V701 C702	L693-S699 PolarHBondContact O-OG 3.01Å; L693-S699 VanDerWaalsContact O-OG 3.1Å; S696-S699 WeakPolarHBondContact O-CB 3.29Å; S696-S699 PolarHBondContact O-N 2.96Å; S699-V701 PolarHBondContact O-N 3.29Å; S699-C702 PolarHBondContact O-N 3.49Å
700	S	54.5	Low	58	Low	43 Å²	43	75.4 Å²	75.4	30%	0.301	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.6	-177.4	68.3	0	0	0	0	113.3	K488 F490 N698	K488-S700 WeakPolarHBondContact O-CA 3.48Å; K488-S700 VanDerWaalsContact O-CB 3.28Å; K488-S700 WeakPolarHBondContact O-CB 3.18Å; K488-S700 PolarHBondContact O-N 3.24Å; K488-S700 VanDerWaalsContact O-N 3.08Å; F490-S700 PolarHBondContact O-OG 3.33Å; F490-S700 VanDerWaalsContact O-OG 3.14Å; N698-S700 PolarHBondContact O-N 2.86Å
701	V	53.4	Low	55.2	Low	12 Å²	12	79.9 Å²	79.9	7%	0.073	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-47.1	169.6	170.6	0	0	0	0	111.2	S699 P716 Q717 L719	S699-V701 PolarHBondContact O-N 3.29Å; V701-P716 HydrophobicContact CG1-CB 4.1Å; V701-P716 WeakPolarHBondContact O-CA 3.42Å; V701-P716 WeakPolarHBondContact O-CB 3.43Å; V701-Q717 WeakPolarHBondContact CG1-O 3.41Å; V701-L719 HydrophobicContact CG2-CD2 3.65Å; V701-L719 HydrophobicContact CG2-CG 4.06Å
702	C	43.6	Very low	52.3	Low	47 Å²	47	79 Å²	79	32%	0.318	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-1.8	-164.7	-62.4	0	0	0	0	114.5	T694 S699 P704	T694-C702 PolarHBondContact O-SG 3.07Å; S699-C702 PolarHBondContact O-N 3.49Å; C702-P704 WeakPolarHBondContact O-CD 3.4Å
703	L	42.5	Very low	49.7	Very low	74 Å²	74	87.3 Å²	87.3	39%	0.387	50%	0.501	S	S	.	.			trans	-95.1	112.4	-174.5	-69.1	177.1	0	0	0	112.4	K488 S705	K488-L703 HydrophobicContact CB-CD1 4.11Å; K488-L703 HydrophobicContact CD-CD1 4.11Å; K488-L703 HydrophobicContact CG-CD1 3.98Å; L703-S705 PolarHBondContact O-N 3.43Å
704	P	36.2	Very low	46.9	Very low	103 Å²	103	95.3 Å²	95.3	67%	0.669	54%	0.535	S	S	*	.			trans	-64.6	127.6	170.1	26.9	-33.2	0	0	0	110.2	C702 S706	C702-P704 WeakPolarHBondContact O-CD 3.4Å; P704-S706 PolarHBondContact O-N 2.94Å
705	S	41.3	Very low	44.8	Very low	82 Å²	82	99.8 Å²	99.8	57%	0.573	56%	0.556	S	S	*	*			trans	-57.2	127.2	-176.2	-171.5	0	0	0	0	111.9	L703 D707	L703-S705 PolarHBondContact O-N 3.43Å; S705-D707 PolarHBondContact O-N 3.42Å
706	S	41.1	Very low	43.8	Very low	114 Å²	114	99.1 Å²	99.1	80%	0.797	55%	0.55	S	S	*	.			trans	-81.7	53.4	-171.7	64.6	0	0	0	0	114.3	P704	P704-S706 PolarHBondContact O-N 2.94Å
707	D	40.2	Very low	43.8	Very low	92 Å²	92	105.6 Å²	105.6	49%	0.492	58%	0.579	S	S	.	*			trans	-105.6	104.3	164.1	-87	-64.1	0	0	0	108.7	S705 T709 R809	S705-D707 PolarHBondContact O-N 3.42Å; D707-T709 PolarHBondContact O-N 3.41Å; D707-R809 IonicContact OD1-CZ 3.87Å; D707-R809 IonicContact OD1-NH2 2.79Å; D707-R809 PolarHBondContact OD1-NH2 3.43Å
708	K	35.9	Very low	44.9	Very low	214 Å²	214	101.8 Å²	101.8	93%	0.93	57%	0.573	S	S	*	*			trans	-78.9	53.2	179.7	-70.6	-173.4	174.9	-175.9	0	112.7
709	T	34.8	Very low	46.6	Very low	101 Å²	101	99.9 Å²	99.9	62%	0.62	56%	0.563	S	S	*	*	S	Bend	trans	-144.9	137.5	168.7	42.5	0	0	0	0	110.8	D707	D707-T709 PolarHBondContact O-N 3.41Å
710	N	37.1	Very low	48.2	Very low	162 Å²	162	101.1 Å²	101.1	87%	0.866	57%	0.569	S	S	*	*	S	Bend	trans	72.8	134.4	-176.4	-57.5	-10.3	0	0	0	116	G712	N710-G712 PolarHBondContact O-N 2.93Å
711	V	33	Very low	50.1	Low	160 Å²	160	103.6 Å²	103.6	97%	0.97	59%	0.585	S	S	*	*			trans	-77.9	116.5	-178.1	178.1	0	0	0	0	109.7
712	G	31.2	Very low	52.1	Low	57 Å²	57	104.6 Å²	104.6	59%	0.588	59%	0.59	S	S	*	*			trans	-178.7	109.8	173.3	0	0	0	0	0	111.6	N710 K714	N710-G712 PolarHBondContact O-N 2.93Å; G712-K714 PolarHBondContact O-N 3.35Å
713	H	35.2	Very low	54.6	Low	187 Å²	187	102.4 Å²	102.4	87%	0.866	58%	0.575	S	S	*	*			trans	-67.6	100	174.5	-76.4	16.2	0	0	0	109.8	I715	H713-I715 VanDerWaalsContact C-N 3.35Å; H713-I715 PolarHBondContact O-N 3.15Å
714	K	31.4	Very low	57.1	Low	167 Å²	167	99.8 Å²	99.8	73%	0.726	56%	0.561	S	S	*	*			trans	-73	94.8	165.4	-74.9	-174.9	177.4	176.5	0	108.6	G712	G712-K714 PolarHBondContact O-N 3.35Å
715	I	42.2	Very low	60	Low	141 Å²	141	99 Å²	99	72%	0.723	55%	0.551	S	S	*	*			trans	-52	141	172.1	-57.4	172.3	0	0	0	108.8	H713 Q717	H713-I715 VanDerWaalsContact C-N 3.35Å; H713-I715 PolarHBondContact O-N 3.15Å; I715-Q717 PolarHBondContact O-N 3.12Å
716	P	56.4	Low	62.7	Low	66 Å²	66	95 Å²	95	43%	0.429	52%	0.524	S	S	.	.			trans	-41	126.9	167.1	-36.1	40.3	0	0	0	113	V701 P718	V701-P716 HydrophobicContact CG1-CB 4.1Å; V701-P716 WeakPolarHBondContact O-CA 3.42Å; V701-P716 WeakPolarHBondContact O-CB 3.43Å; P716-P718 WeakPolarHBondContact O-CD 3.5Å
717	Q	64	Low	65.4	Low	148 Å²	148	89.6 Å²	89.6	69%	0.692	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-72.3	118.8	174.8	-73.4	-169	6	0	0	108.8	V701 I715	V701-Q717 WeakPolarHBondContact CG1-O 3.41Å; I715-Q717 PolarHBondContact O-N 3.12Å
718	P	80.3	Confident	68.1	Low	108 Å²	108	90 Å²	90	70%	0.701	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-59.7	153	179.8	25.7	-34.3	0	0	0	110.9	Q492 P716 D720	Q492-P718 PolarHBondContact NE2-O 2.84Å; P716-P718 WeakPolarHBondContact O-CD 3.5Å; P718-D720 PolarHBondContact O-N 3.4Å
719	L	87	Confident	71.1	Confident	20 Å²	20	80.2 Å²	80.2	11%	0.105	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-66.7	132.6	174.1	-67.9	167.1	0	0	0	109.2	I586 L693 T694 V701 P721 M723 I724	I586-L719 HydrophobicContact CG2-CD2 3.79Å; L693-L719 HydrophobicContact CB-CD1 3.69Å; L693-L719 HydrophobicContact CD1-CD1 3.99Å; L693-L719 HydrophobicContact CG-CD1 4.49Å; T694-L719 HydrophobicContact CG2-CD1 4.25Å; V701-L719 HydrophobicContact CG2-CD2 3.65Å; V701-L719 HydrophobicContact CG2-CG 4.06Å; L719-P721 WeakPolarHBondContact O-CD 3.36Å; L719-M723 HydrophobicContact CD2-SD 4.37Å; L719-I724 HydrophobicContact CB-CD1 3.89Å; L719-I724 HydrophobicContact CB-CG1 4.29Å; L719-I724 HydrophobicContact CD1-CD1 3.83Å; L719-I724 HydrophobicContact CG-CD1 4.45Å
720	D	91.1	Very high	74.1	Confident	25 Å²	25	75.4 Å²	75.4	13%	0.134	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-53	118.9	174	-173	8.8	0	0	0	109	R496 P718 D722 M723 I724 K752	R496-D720 IonicContact CZ-OD2 3.82Å; R496-D720 IonicContact NH2-OD2 2.67Å; R496-D720 PolarHBondContact NH2-OD2 3.5Å; P718-D720 PolarHBondContact O-N 3.4Å; D720-D722 VanDerWaalsContact C-N 3.27Å; D720-D722 PolarHBondContact O-N 3.3Å; D720-M723 HydrophobicContact CB-CB 4.18Å; D720-M723 HydrophobicContact CB-CE 4.3Å; D720-M723 WeakPolarHBondContact O-CA 3.42Å; D720-M723 WeakPolarHBondContact O-CB 3.23Å; D720-M723 PolarHBondContact O-N 2.72Å; D720-I724 PolarHBondContact O-N 3.43Å; D720-K752 IonicContact OD1-NZ 3.65Å; D720-K752 PolarHBondContact OD1-NZ 2.63Å; D720-K752 IonicContact OD2-NZ 3.69Å
721	P	93.8	Very high	77.1	Confident	96 Å²	96	67.9 Å²	67.9	62%	0.623	38%	0.375	S	S	*	.	H	α-helix	trans	-55.1	-40.1	-172	-30.5	37	0	0	0	113.6	L719 M723 I724 D725	L719-P721 WeakPolarHBondContact O-CD 3.36Å; P721-M723 PolarHBondContact O-N 3.25Å; P721-M723 VanDerWaalsContact O-N 3.14Å; P721-I724 WeakPolarHBondContact O-CB 3.29Å; P721-I724 PolarHBondContact O-N 3.39Å; P721-D725 PolarHBondContact O-N 3.26Å
722	D	95.9	Very high	80.2	Confident	33 Å²	33	64.3 Å²	64.3	18%	0.176	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-21.9	175.6	-45.4	32.3	0	0	0	113	D720 F726 H747 P748 W749 K752	D720-D722 VanDerWaalsContact C-N 3.27Å; D720-D722 PolarHBondContact O-N 3.3Å; D722-F726 WeakPolarHBondContact O-CB 3.45Å; D722-F726 PolarHBondContact O-N 3.04Å; D722-H747 PolarHBondContact O-CE1 3.07Å; D722-P748 VanDerWaalsContact OD2-CB 3.27Å; D722-P748 WeakPolarHBondContact OD2-CB 3.38Å; D722-W749 HydrophobicContact CB-CB 3.57Å; D722-W749 HydrophobicContact CB-CG 4.32Å; D722-W749 WeakPolarHBondContact O-CB 3.15Å; D722-W749 PolarHBondContact OD2-N 3.21Å; D722-K752 IonicContact OD1-NZ 3.28Å; D722-K752 PolarHBondContact OD1-NZ 3.39Å; D722-K752 WeakPolarHBondContact OD2-CE 3.37Å; D722-K752 IonicContact OD2-NZ 3.74Å; D722-K752 PolarHBondContact OD2-NZ 3.08Å
723	M	95.7	Very high	83.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-74.8	-35.6	174.3	-169	-171.1	-55.4	0	0	111.4	Q492 I586 L719 D720 P721 L727 W749	Q492-M723 HydrophobicContact CB-CE 3.67Å; Q492-M723 HydrophobicContact CG-CE 3.75Å; Q492-M723 VanDerWaalsContact OE1-CE 3.27Å; I586-M723 HydrophobicContact CD1-CG 4.4Å; I586-M723 HydrophobicContact CD1-SD 3.44Å; I586-M723 WeakPolarHBondContact CD1-SD 3.29Å; I586-M723 HydrophobicContact CG1-SD 3.96Å; L719-M723 HydrophobicContact CD2-SD 4.37Å; D720-M723 HydrophobicContact CB-CB 4.18Å; D720-M723 HydrophobicContact CB-CE 4.3Å; D720-M723 WeakPolarHBondContact O-CA 3.42Å; D720-M723 WeakPolarHBondContact O-CB 3.23Å; D720-M723 PolarHBondContact O-N 2.72Å; P721-M723 PolarHBondContact O-N 3.25Å; P721-M723 VanDerWaalsContact O-N 3.14Å; M723-L727 WeakPolarHBondContact O-CB 3.31Å; M723-L727 WeakPolarHBondContact O-CG 3.39Å; M723-L727 PolarHBondContact O-N 2.76Å; M723-W749 HydrophobicContact CB-CD2 4.22Å; M723-W749 HydrophobicContact CB-CG 4.25Å; M723-W749 HydrophobicContact CB-CZ2 4.41Å; M723-W749 HydrophobicContact CE-CZ2 3.77Å; M723-W749 HydrophobicContact CG-CD2 4.21Å; M723-W749 HydrophobicContact CG-CH2 4.26Å; M723-W749 HydrophobicContact CG-CZ2 3.68Å; M723-W749 HydrophobicContact SD-CZ2 4.13Å
724	I	95.5	Very high	86.3	Confident	20 Å²	20	55.7 Å²	55.7	10%	0.103	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-50.1	173.8	-55.1	-55.9	0	0	0	109	L689 V690 L693 L719 D720 P721 F726 L727 E728	L689-I724 HydrophobicContact CD2-CG2 4.39Å; V690-I724 HydrophobicContact CG2-CD1 4.27Å; V690-I724 HydrophobicContact CG2-CG1 4.35Å; V690-I724 HydrophobicContact CG2-CG2 4.11Å; L693-I724 HydrophobicContact CD1-CD1 3.71Å; L719-I724 HydrophobicContact CB-CD1 3.89Å; L719-I724 HydrophobicContact CB-CG1 4.29Å; L719-I724 HydrophobicContact CD1-CD1 3.83Å; L719-I724 HydrophobicContact CG-CD1 4.45Å; D720-I724 PolarHBondContact O-N 3.43Å; P721-I724 WeakPolarHBondContact O-CB 3.29Å; P721-I724 PolarHBondContact O-N 3.39Å; I724-F726 VanDerWaalsContact C-N 3.33Å; I724-F726 PolarHBondContact O-N 3.44Å; I724-L727 CarbonylContact O-C 3.13Å; I724-L727 WeakPolarHBondContact O-CA 3.14Å; I724-L727 WeakPolarHBondContact O-CB 3.4Å; I724-L727 PolarHBondContact O-N 3.05Å; I724-E728 HydrophobicContact CG2-CG 4.37Å; I724-E728 WeakPolarHBondContact CG2-OE1 3.24Å; I724-E728 WeakPolarHBondContact O-CG 3.38Å; I724-E728 PolarHBondContact O-N 3.41Å
725	D	97.2	Very high	89.5	Confident	85 Å²	85	48.8 Å²	48.8	46%	0.455	26%	0.263	S	S	.	.	H	α-helix	trans	-52.9	-46.1	173.2	178.7	42.5	0	0	0	112.2	P721 L727 E728 G729 H747	P721-D725 PolarHBondContact O-N 3.26Å; D725-L727 PolarHBondContact O-N 3.24Å; D725-E728 PolarHBondContact O-N 3.18Å; D725-G729 PolarHBondContact O-N 3.35Å; D725-H747 IonicContact OD2-CE1 3.12Å; D725-H747 PolarHBondContact OD2-CE1 3.32Å; D725-H747 IonicContact OD2-NE2 2.67Å; D725-H747 PolarHBondContact OD2-NE2 2.77Å
726	F	98.2	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-43.7	174	-176.8	-83.5	0	0	0	113	T499 L503 L578 L582 D722 I724 C730 M739 A744 H747 W749 I750	T499-F726 HydrophobicContact CG2-CE1 3.91Å; T499-F726 HydrophobicContact CG2-CZ 3.83Å; L503-F726 HydrophobicContact CD1-CE2 4.14Å; L503-F726 HydrophobicContact CD1-CZ 3.98Å; L503-F726 HydrophobicContact CD2-CZ 4.48Å; L578-F726 HydrophobicContact CD2-CZ 4.33Å; L582-F726 HydrophobicContact CD2-CD1 3.42Å; L582-F726 VanDerWaalsContact CD2-CD1 3.42Å; L582-F726 HydrophobicContact CD2-CE1 3.59Å; D722-F726 WeakPolarHBondContact O-CB 3.45Å; D722-F726 PolarHBondContact O-N 3.04Å; I724-F726 VanDerWaalsContact C-N 3.33Å; I724-F726 PolarHBondContact O-N 3.44Å; F726-C730 VanDerWaalsContact CE1-SG 3.54Å; F726-C730 PolarHBondContact O-N 3.47Å; F726-C730 VanDerWaalsContact O-N 3.09Å; F726-C730 PolarHBondContact O-SG 3.42Å; F726-M739 HydrophobicContact CD2-CE 4.39Å; F726-M739 HydrophobicContact CD2-SD 4.16Å; F726-M739 HydrophobicContact CE2-SD 4.19Å; F726-A744 HydrophobicContact CE2-CB 3.75Å; F726-A744 HydrophobicContact CZ-CB 4.08Å; F726-H747 HydrophobicContact CD2-CB 3.83Å; F726-H747 AromaticContact CD2-CG 3.68Å; F726-H747 AromaticContact CD2-ND1 3.74Å; F726-H747 HydrophobicContact CE2-CB 4.28Å; F726-H747 PolarHBondContact N-CE1 3.44Å; F726-W749 HydrophobicContact CB-CB 4.47Å; F726-W749 HydrophobicContact CB-CE3 3.94Å; F726-W749 AromaticContact CD1-CE3 3.84Å; F726-W749 HydrophobicContact CD1-CE3 3.84Å; F726-W749 AromaticContact CD1-CZ3 3.76Å; F726-W749 HydrophobicContact CD1-CZ3 3.76Å; F726-W749 AromaticContact CD2-CE3 3.78Å; F726-W749 HydrophobicContact CD2-CE3 3.78Å; F726-W749 HydrophobicContact CD2-CZ3 4.36Å; F726-W749 HydrophobicContact CE1-CE3 4.31Å; F726-W749 AromaticContact CE1-CZ3 3.94Å; F726-W749 HydrophobicContact CE1-CZ3 3.94Å; F726-W749 HydrophobicContact CE2-CE3 4.22Å; F726-W749 HydrophobicContact CE2-CZ3 4.48Å; F726-W749 AromaticContact CG-CE3 3.56Å; F726-W749 HydrophobicContact CG-CE3 3.56Å; F726-W749 AromaticContact CG-CZ3 4Å; F726-W749 HydrophobicContact CG-CZ3 4Å; F726-W749 HydrophobicContact CZ-CE3 4.48Å; F726-W749 HydrophobicContact CZ-CZ3 4.29Å; F726-I750 HydrophobicContact CD2-CG1 4.25Å; F726-I750 HydrophobicContact CE2-CD1 4.31Å; F726-I750 HydrophobicContact CE2-CG1 3.84Å
727	L	97.5	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-43.9	177.1	-87.5	167.3	0	0	0	111.8	G579 L582 A583 I586 L689 L693 M723 I724 D725 C730 L731	G579-L727 WeakPolarHBondContact O-CD2 3.49Å; L582-L727 HydrophobicContact CB-CD2 3.91Å; L582-L727 HydrophobicContact CD2-CD1 4.45Å; L582-L727 HydrophobicContact CD2-CD2 3.68Å; L582-L727 HydrophobicContact CD2-CG 3.68Å; L582-L727 HydrophobicContact CG-CD1 4.27Å; L582-L727 HydrophobicContact CG-CD2 3.65Å; L582-L727 HydrophobicContact CG-CG 3.91Å; A583-L727 HydrophobicContact CB-CD2 4.46Å; I586-L727 HydrophobicContact CD1-CD1 3.9Å; L689-L727 HydrophobicContact CD2-CB 3.88Å; L693-L727 HydrophobicContact CD1-CD1 3.74Å; L693-L727 HydrophobicContact CD2-CD1 4.43Å; M723-L727 WeakPolarHBondContact O-CB 3.31Å; M723-L727 WeakPolarHBondContact O-CG 3.39Å; M723-L727 PolarHBondContact O-N 2.76Å; I724-L727 CarbonylContact O-C 3.13Å; I724-L727 WeakPolarHBondContact O-CA 3.14Å; I724-L727 WeakPolarHBondContact O-CB 3.4Å; I724-L727 PolarHBondContact O-N 3.05Å; D725-L727 PolarHBondContact O-N 3.24Å; L727-C730 CarbonylContact O-C 3.4Å; L727-C730 PolarHBondContact O-N 3.34Å; L727-C730 VanDerWaalsContact O-N 3.13Å; L727-L731 HydrophobicContact CD2-CD1 4.35Å; L727-L731 VanDerWaalsContact O-CB 3.31Å; L727-L731 WeakPolarHBondContact O-CB 3.18Å; L727-L731 VanDerWaalsContact O-CG 3.32Å; L727-L731 WeakPolarHBondContact O-CG 3.4Å; L727-L731 PolarHBondContact O-N 3.29Å
728	E	97.6	Very high	95.6	Very high	100 Å²	100	44.3 Å²	44.3	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-42.2	178.1	-70.2	179.9	179.8	0	0	111	L689 I724 D725 C730 L731 K732	L689-E728 HydrophobicContact CD2-CG 3.57Å; I724-E728 HydrophobicContact CG2-CG 4.37Å; I724-E728 WeakPolarHBondContact CG2-OE1 3.24Å; I724-E728 WeakPolarHBondContact O-CG 3.38Å; I724-E728 PolarHBondContact O-N 3.41Å; D725-E728 PolarHBondContact O-N 3.18Å; E728-C730 VanDerWaalsContact C-N 3.29Å; E728-C730 PolarHBondContact O-N 3.42Å; E728-L731 CarbonylContact O-C 3.37Å; E728-L731 PolarHBondContact O-N 3.09Å; E728-K732 WeakPolarHBondContact O-CG 3.26Å; E728-K732 PolarHBondContact O-N 3.03Å; E728-K732 VanDerWaalsContact O-N 3.17Å
729	G	98.2	Very high	96.4	Very high	9 Å²	9	40.1 Å²	40.1	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	-62.1	-31.6	172.2	0	0	0	0	0	114.1	D725 R738 M739	D725-G729 PolarHBondContact O-N 3.35Å; G729-R738 WeakPolarHBondContact O-CG 3.43Å; G729-M739 WeakPolarHBondContact O-CB 3.48Å; G729-M739 PolarHBondContact O-N 2.67Å
730	C	98.7	Very high	97	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-80.6	-25.8	173.8	-68.4	0	0	0	0	113.5	F726 L727 E728 R738	F726-C730 VanDerWaalsContact CE1-SG 3.54Å; F726-C730 PolarHBondContact O-N 3.47Å; F726-C730 VanDerWaalsContact O-N 3.09Å; F726-C730 PolarHBondContact O-SG 3.42Å; L727-C730 CarbonylContact O-C 3.4Å; L727-C730 PolarHBondContact O-N 3.34Å; L727-C730 VanDerWaalsContact O-N 3.13Å; E728-C730 VanDerWaalsContact C-N 3.29Å; E728-C730 PolarHBondContact O-N 3.42Å; C730-R738 WeakPolarHBondContact O-CD 3.21Å; C730-R738 WeakPolarHBondContact O-CG 3.12Å
731	L	98.5	Very high	97.3	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	21%	0.208	C	C	.	.	S	Bend	trans	-105.1	16.6	-174.1	-65.7	177.2	0	0	0	113.6	W576 L591 F592 L608 L689 L727 E728 W733	W576-L731 HydrophobicContact CD2-CD2 4.03Å; W576-L731 HydrophobicContact CE3-CD2 4.14Å; W576-L731 HydrophobicContact CZ2-CD2 4.38Å; W576-L731 HydrophobicContact CZ3-CB 4.45Å; W576-L731 HydrophobicContact CZ3-CD2 4.39Å; W576-L731 WeakPolarHBondContact CZ3-O 3.44Å; L591-L731 HydrophobicContact CD2-CD1 3.57Å; F592-L731 HydrophobicContact CE2-CD2 4.12Å; L608-L731 HydrophobicContact CD1-CB 4.33Å; L608-L731 VanDerWaalsContact CD1-O 3.31Å; L608-L731 WeakPolarHBondContact CD1-O 3.05Å; L689-L731 HydrophobicContact CD1-CD1 4.22Å; L727-L731 HydrophobicContact CD2-CD1 4.35Å; L727-L731 VanDerWaalsContact O-CB 3.31Å; L727-L731 WeakPolarHBondContact O-CB 3.18Å; L727-L731 VanDerWaalsContact O-CG 3.32Å; L727-L731 WeakPolarHBondContact O-CG 3.4Å; L727-L731 PolarHBondContact O-N 3.29Å; E728-L731 CarbonylContact O-C 3.37Å; E728-L731 PolarHBondContact O-N 3.09Å; L731-W733 PolarHBondContact O-N 3.11Å
732	K	98.3	Very high	97.5	Very high	86 Å²	86	38.1 Å²	38.1	37%	0.374	19%	0.193	S	C	.	.			trans	-60.9	138.4	172.1	-65.2	-160	-162.8	161.6	0	112.1	E728 E737 R738	E728-K732 WeakPolarHBondContact O-CG 3.26Å; E728-K732 PolarHBondContact O-N 3.03Å; E728-K732 VanDerWaalsContact O-N 3.17Å; K732-E737 HydrophobicContact CD-CB 3.71Å; K732-E737 VanDerWaalsContact CD-O 3.31Å; K732-E737 WeakPolarHBondContact CD-O 3.46Å; K732-E737 WeakPolarHBondContact CE-O 3.42Å; K732-E737 PolarHBondContact NZ-O 3.49Å; K732-R738 HydrophobicContact CB-CB 4.38Å; K732-R738 PolarHBondContact O-NE 2.89Å; K732-R738 PolarHBondContact O-NH2 2.72Å
733	W	98.2	Very high	97.6	Very high	24 Å²	24	41.3 Å²	41.3	9%	0.091	21%	0.207	C	C	.	.	S	Bend	trans	-55.6	-56	175.1	-79.2	110.8	0	0	0	112.1	P561 L601 I604 M605 L608 G609 P611 P612 M615 L731 P735 R738	P561-W733 HydrophobicContact CB-CE3 3.61Å; P561-W733 HydrophobicContact CB-CZ3 3.47Å; P561-W733 VanDerWaalsContact CB-CZ3 3.47Å; P561-W733 HydrophobicContact CG-CE3 3.76Å; P561-W733 HydrophobicContact CG-CZ3 4.1Å; L601-W733 HydrophobicContact CD1-CH2 4.32Å; L601-W733 HydrophobicContact CD1-CZ3 4.12Å; I604-W733 HydrophobicContact CB-CH2 4.09Å; I604-W733 HydrophobicContact CG2-CH2 3.37Å; I604-W733 HydrophobicContact CG2-CZ2 3.66Å; I604-W733 HydrophobicContact CG2-CZ3 3.89Å; M605-W733 HydrophobicContact CG-CH2 3.89Å; M605-W733 HydrophobicContact CG-CZ2 4Å; L608-W733 HydrophobicContact CB-CZ2 4.09Å; L608-W733 PolarHBondContact O-NE1 3.32Å; G609-W733 VanDerWaalsContact O-CZ2 3.29Å; G609-W733 WeakPolarHBondContact O-CZ2 3.27Å; P611-W733 HydrophobicContact CB-CD2 3.82Å; P611-W733 HydrophobicContact CB-CE3 3.62Å; P611-W733 HydrophobicContact CB-CG 4.45Å; P611-W733 HydrophobicContact CB-CH2 4.13Å; P611-W733 HydrophobicContact CB-CZ2 4.33Å; P611-W733 HydrophobicContact CB-CZ3 3.76Å; P611-W733 HydrophobicContact CG-CE3 4.33Å; P611-W733 HydrophobicContact CG-CH2 4.01Å; P611-W733 HydrophobicContact CG-CZ2 4.41Å; P611-W733 HydrophobicContact CG-CZ3 3.96Å; P612-W733 HydrophobicContact CG-CB 4.32Å; M615-W733 WeakPolarHBondContact CE-O 3.07Å; M615-W733 HydrophobicContact SD-CB 3.94Å; L731-W733 PolarHBondContact O-N 3.11Å; W733-P735 WeakPolarHBondContact O-CD 3.47Å; W733-R738 PolarHBondContact O-NH2 3.41Å
734	N	96.9	Very high	97.7	Very high	39 Å²	39	41.3 Å²	41.3	21%	0.209	21%	0.207	C	C	.	.	S	Bend	trans	-73.5	120.1	-179.2	-175.3	5.5	0	0	0	110.3	M615 D736 E737 R738	M615-N734 HydrophobicContact SD-CB 4.46Å; N734-D736 PolarHBondContact O-N 3.34Å; N734-D736 PolarHBondContact OD1-N 2.68Å; N734-E737 HydrophobicContact CB-CB 4.25Å; N734-E737 HydrophobicContact CB-CG 4.06Å; N734-E737 VanDerWaalsContact CB-OE1 3.28Å; N734-E737 WeakPolarHBondContact CB-OE1 3.4Å; N734-E737 PolarHBondContact ND2-OE1 3.09Å; N734-E737 PolarHBondContact O-N 3.48Å; N734-R738 PolarHBondContact O-N 3Å
735	P	97.6	Very high	97.8	Very high	21 Å²	21	41.7 Å²	41.7	14%	0.136	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-61.9	-27.1	177.5	24.8	-34.8	0	0	0	113.5	P572 W733 E737 R738	P572-P735 HydrophobicContact CB-CB 3.79Å; P572-P735 HydrophobicContact CG-CB 4.14Å; W733-P735 WeakPolarHBondContact O-CD 3.47Å; P735-E737 VanDerWaalsContact C-N 3.29Å; P735-E737 PolarHBondContact O-N 3.15Å; P735-R738 PolarHBondContact O-N 3.08Å
736	D	96.3	Very high	97.7	Very high	147 Å²	147	42 Å²	42	79%	0.786	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-74.5	-19.4	-179.9	-59.5	-31	0	0	0	112.8	N734	N734-D736 PolarHBondContact O-N 3.34Å; N734-D736 PolarHBondContact OD1-N 2.68Å
737	E	97.1	Very high	97.7	Very high	105 Å²	105	43 Å²	43	49%	0.491	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-97.8	-10.2	176.9	-66.3	165.1	-137.7	0	0	112.7	K732 N734 P735	K732-E737 HydrophobicContact CD-CB 3.71Å; K732-E737 VanDerWaalsContact CD-O 3.31Å; K732-E737 WeakPolarHBondContact CD-O 3.46Å; K732-E737 WeakPolarHBondContact CE-O 3.42Å; K732-E737 PolarHBondContact NZ-O 3.49Å; N734-E737 HydrophobicContact CB-CB 4.25Å; N734-E737 HydrophobicContact CB-CG 4.06Å; N734-E737 VanDerWaalsContact CB-OE1 3.28Å; N734-E737 WeakPolarHBondContact CB-OE1 3.4Å; N734-E737 PolarHBondContact ND2-OE1 3.09Å; N734-E737 PolarHBondContact O-N 3.48Å; P735-E737 VanDerWaalsContact C-N 3.29Å; P735-E737 PolarHBondContact O-N 3.15Å
738	R	98.2	Very high	97.7	Very high	10 Å²	10	46.4 Å²	46.4	4%	0.038	24%	0.238	C	C	.	.	S	Bend	trans	-78.8	134.8	-171.8	-166.8	-176.5	-62.9	147.8	7	110	E562 P572 G729 C730 K732 W733 N734 P735 N740	E562-R738 IonicContact OE1-CZ 3.27Å; E562-R738 IonicContact OE1-NH1 2.77Å; E562-R738 PolarHBondContact OE1-NH1 3.13Å; E562-R738 IonicContact OE1-NH2 2.93Å; E562-R738 PolarHBondContact OE1-NH2 2.77Å; E562-R738 IonicContact OE2-CZ 3.52Å; E562-R738 IonicContact OE2-NH1 3.59Å; E562-R738 IonicContact OE2-NH2 2.7Å; E562-R738 PolarHBondContact OE2-NH2 2.72Å; P572-R738 WeakPolarHBondContact O-CD 3.44Å; P572-R738 PolarHBondContact O-NH1 3.39Å; G729-R738 WeakPolarHBondContact O-CG 3.43Å; C730-R738 WeakPolarHBondContact O-CD 3.21Å; C730-R738 WeakPolarHBondContact O-CG 3.12Å; K732-R738 HydrophobicContact CB-CB 4.38Å; K732-R738 PolarHBondContact O-NE 2.89Å; K732-R738 PolarHBondContact O-NH2 2.72Å; W733-R738 PolarHBondContact O-NH2 3.41Å; N734-R738 PolarHBondContact O-N 3Å; P735-R738 PolarHBondContact O-N 3.08Å; R738-N740 PolarHBondContact O-N 2.96Å
739	M	98	Very high	97.6	Very high	19 Å²	19	41.6 Å²	41.6	9%	0.094	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.2	128.5	-175.5	-166.8	-173	-51.6	0	0	111.3	M575 F726 G729 E743 A744 H747	M575-M739 VanDerWaalsContact CE-O 3.26Å; M575-M739 WeakPolarHBondContact CE-O 3.37Å; M575-M739 WeakPolarHBondContact CG-O 3.41Å; F726-M739 HydrophobicContact CD2-CE 4.39Å; F726-M739 HydrophobicContact CD2-SD 4.16Å; F726-M739 HydrophobicContact CE2-SD 4.19Å; G729-M739 WeakPolarHBondContact O-CB 3.48Å; G729-M739 PolarHBondContact O-N 2.67Å; M739-E743 WeakPolarHBondContact CA-OE2 3.13Å; M739-E743 HydrophobicContact CG-CB 3.66Å; M739-A744 HydrophobicContact CG-CB 4.15Å; M739-A744 WeakPolarHBondContact SD-CA 3.46Å; M739-A744 HydrophobicContact SD-CB 3.63Å; M739-H747 WeakPolarHBondContact CE-CD2 3.35Å
740	N	98.2	Very high	97.6	Very high	31 Å²	31	41.4 Å²	41.4	17%	0.166	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-87.3	164.7	176.3	80.4	60.7	0	0	0	111.7	Y510 R738 L742 E743 A744	Y510-N740 HydrophobicContact CE2-CB 3.96Å; R738-N740 PolarHBondContact O-N 2.96Å; N740-L742 VanDerWaalsContact C-N 3.27Å; N740-L742 PolarHBondContact O-N 2.93Å; N740-L742 WeakPolarHBondContact OD1-CA 3.28Å; N740-L742 VanDerWaalsContact OD1-CB 3.31Å; N740-L742 WeakPolarHBondContact OD1-CB 3.35Å; N740-L742 PolarHBondContact OD1-N 3.46Å; N740-E743 PolarHBondContact N-OE2 3.19Å; N740-E743 PolarHBondContact ND2-OE1 2.81Å; N740-E743 PolarHBondContact ND2-OE2 2.98Å; N740-E743 VanDerWaalsContact ND2-OE2 3.14Å; N740-E743 PolarHBondContact O-N 3Å; N740-E743 PolarHBondContact OD1-N 3.5Å; N740-A744 WeakPolarHBondContact O-CB 3.49Å; N740-A744 PolarHBondContact O-N 3.14Å
741	P	98.2	Very high	97.3	Very high	7 Å²	7	46.4 Å²	46.4	5%	0.045	23%	0.234	C	C	.	.	H	α-helix	trans	-59.7	-29.8	-175.6	-27.7	37.2	0	0	0	115.3	L506 E507 Y510 M575 L745	L506-P741 HydrophobicContact CB-CB 4.01Å; L506-P741 HydrophobicContact CB-CG 3.77Å; E507-P741 HydrophobicContact CB-CB 4.44Å; Y510-P741 HydrophobicContact CD2-CG 4.34Å; Y510-P741 HydrophobicContact CG-CG 4.28Å; M575-P741 HydrophobicContact CG-CG 4.21Å; M575-P741 HydrophobicContact SD-CB 4.42Å; M575-P741 HydrophobicContact SD-CG 3.79Å; P741-L745 WeakPolarHBondContact O-CG 3.45Å; P741-L745 PolarHBondContact O-N 2.89Å
742	L	97.2	Very high	96.7	Very high	61 Å²	61	49.3 Å²	49.3	32%	0.319	25%	0.246	S	C	.	.	H	α-helix	trans	-74.7	-38.8	179.4	-53.4	176.4	0	0	0	111.3	E507 Y510 N740 N746	E507-L742 HydrophobicContact CG-CD2 3.79Å; E507-L742 WeakPolarHBondContact OE1-CD2 3.44Å; Y510-L742 HydrophobicContact CD1-CD1 4.15Å; Y510-L742 HydrophobicContact CD1-CG 4.22Å; Y510-L742 HydrophobicContact CE1-CD1 3.88Å; Y510-L742 HydrophobicContact CE1-CG 4.28Å; N740-L742 VanDerWaalsContact C-N 3.27Å; N740-L742 PolarHBondContact O-N 2.93Å; N740-L742 WeakPolarHBondContact OD1-CA 3.28Å; N740-L742 VanDerWaalsContact OD1-CB 3.31Å; N740-L742 WeakPolarHBondContact OD1-CB 3.35Å; N740-L742 PolarHBondContact OD1-N 3.46Å; L742-N746 WeakPolarHBondContact O-CB 3.31Å; L742-N746 PolarHBondContact O-N 3.03Å; L742-N746 PolarHBondContact O-ND2 3.08Å
743	E	97.8	Very high	95.6	Very high	101 Å²	101	48.2 Å²	48.2	47%	0.472	24%	0.243	S	C	.	.	H	α-helix	trans	-65.4	-43.1	171	-69.5	159.7	179.4	0	0	110.7	M739 N740 N746 H747	M739-E743 WeakPolarHBondContact CA-OE2 3.13Å; M739-E743 HydrophobicContact CG-CB 3.66Å; N740-E743 PolarHBondContact N-OE2 3.19Å; N740-E743 PolarHBondContact ND2-OE1 2.81Å; N740-E743 PolarHBondContact ND2-OE2 2.98Å; N740-E743 VanDerWaalsContact ND2-OE2 3.14Å; N740-E743 PolarHBondContact O-N 3Å; N740-E743 PolarHBondContact OD1-N 3.5Å; E743-N746 CarbonylContact O-C 3.59Å; E743-N746 VanDerWaalsContact O-C 3.3Å; E743-N746 VanDerWaalsContact O-CA 3.28Å; E743-N746 WeakPolarHBondContact O-CA 3.18Å; E743-N746 WeakPolarHBondContact O-CB 3.4Å; E743-N746 PolarHBondContact O-N 3.01Å; E743-H747 PolarHBondContact O-N 3.14Å
744	A	98.2	Very high	93.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-41.8	179.9	0	0	0	0	0	113.2	L503 M575 F726 M739 N740 N746 H747 I750	L503-A744 HydrophobicContact CD1-CB 3.99Å; L503-A744 HydrophobicContact CD2-CB 3.49Å; L503-A744 VanDerWaalsContact CD2-CB 3.49Å; L503-A744 HydrophobicContact CG-CB 4.41Å; M575-A744 HydrophobicContact CE-CB 3.62Å; F726-A744 HydrophobicContact CE2-CB 3.75Å; F726-A744 HydrophobicContact CZ-CB 4.08Å; M739-A744 HydrophobicContact CG-CB 4.15Å; M739-A744 WeakPolarHBondContact SD-CA 3.46Å; M739-A744 HydrophobicContact SD-CB 3.63Å; N740-A744 WeakPolarHBondContact O-CB 3.49Å; N740-A744 PolarHBondContact O-N 3.14Å; A744-N746 PolarHBondContact O-N 2.73Å; A744-H747 VanDerWaalsContact O-CB 3.29Å; A744-H747 WeakPolarHBondContact O-CB 3.28Å; A744-H747 PolarHBondContact O-N 3.26Å; A744-I750 WeakPolarHBondContact O-CG1 3.24Å
745	L	97	Very high	91.4	Very high	27 Å²	27	54.6 Å²	54.6	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-25.8	169.4	-74.9	169.9	0	0	0	112.5	Y500 L503 E507 P741	Y500-L745 HydrophobicContact CD2-CD2 3.97Å; Y500-L745 HydrophobicContact CE2-CD2 3.87Å; L503-L745 HydrophobicContact CB-CD2 3.62Å; L503-L745 HydrophobicContact CB-CG 3.98Å; L503-L745 HydrophobicContact CD1-CD2 4.23Å; L503-L745 HydrophobicContact CD1-CG 4.49Å; E507-L745 HydrophobicContact CB-CD1 3.77Å; E507-L745 VanDerWaalsContact CD-CD1 3.45Å; E507-L745 HydrophobicContact CG-CD1 4.16Å; P741-L745 WeakPolarHBondContact O-CG 3.45Å; P741-L745 PolarHBondContact O-N 2.89Å
746	N	96.8	Very high	89	Confident	93 Å²	93	58.9 Å²	58.9	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.9	176.6	-86.5	-75.7	0	0	0	114.7	L742 E743 A744 K751	L742-N746 WeakPolarHBondContact O-CB 3.31Å; L742-N746 PolarHBondContact O-N 3.03Å; L742-N746 PolarHBondContact O-ND2 3.08Å; E743-N746 CarbonylContact O-C 3.59Å; E743-N746 VanDerWaalsContact O-C 3.3Å; E743-N746 VanDerWaalsContact O-CA 3.28Å; E743-N746 WeakPolarHBondContact O-CA 3.18Å; E743-N746 WeakPolarHBondContact O-CB 3.4Å; E743-N746 PolarHBondContact O-N 3.01Å; A744-N746 PolarHBondContact O-N 2.73Å; N746-K751 VanDerWaalsContact O-CD 3.31Å; N746-K751 WeakPolarHBondContact O-CD 3.41Å; N746-K751 VanDerWaalsContact O-CE 3.23Å; N746-K751 WeakPolarHBondContact O-CE 3.4Å; N746-K751 PolarHBondContact O-NZ 2.89Å; N746-K751 WeakPolarHBondContact OD1-CE 3.4Å; N746-K751 PolarHBondContact OD1-NZ 3.28Å
747	H	97.9	Very high	85.9	Confident	20 Å²	20	57.1 Å²	57.1	9%	0.093	31%	0.312	C	S	.	.	S	Bend	trans	-65.4	143.5	-174.3	-153.7	-102	0	0	0	112.6	D722 D725 F726 M739 E743 A744 W749 I750 K751	D722-H747 PolarHBondContact O-CE1 3.07Å; D725-H747 IonicContact OD2-CE1 3.12Å; D725-H747 PolarHBondContact OD2-CE1 3.32Å; D725-H747 IonicContact OD2-NE2 2.67Å; D725-H747 PolarHBondContact OD2-NE2 2.77Å; F726-H747 HydrophobicContact CD2-CB 3.83Å; F726-H747 AromaticContact CD2-CG 3.68Å; F726-H747 AromaticContact CD2-ND1 3.74Å; F726-H747 HydrophobicContact CE2-CB 4.28Å; F726-H747 PolarHBondContact N-CE1 3.44Å; M739-H747 WeakPolarHBondContact CE-CD2 3.35Å; E743-H747 PolarHBondContact O-N 3.14Å; A744-H747 VanDerWaalsContact O-CB 3.29Å; A744-H747 WeakPolarHBondContact O-CB 3.28Å; A744-H747 PolarHBondContact O-N 3.26Å; H747-W749 VanDerWaalsContact C-N 3.28Å; H747-W749 PolarHBondContact O-N 3.2Å; H747-I750 HydrophobicContact CB-CG1 4.4Å; H747-I750 PolarHBondContact O-N 3.02Å; H747-K751 PolarHBondContact O-N 2.58Å
748	P	96.6	Very high	83	Confident	71 Å²	71	58.5 Å²	58.5	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-49.9	-45.7	175.8	-31	37.7	0	0	0	113.4	D722 I750 K751 K752	D722-P748 VanDerWaalsContact OD2-CB 3.27Å; D722-P748 WeakPolarHBondContact OD2-CB 3.38Å; P748-I750 VanDerWaalsContact C-N 3.31Å; P748-I750 PolarHBondContact O-N 3.25Å; P748-K751 PolarHBondContact O-N 3.33Å; P748-K752 WeakPolarHBondContact O-CG 3.49Å; P748-K752 PolarHBondContact O-N 3.5Å
749	W	96.7	Very high	79.7	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-54.7	-41.9	176.8	-176.1	57.2	0	0	0	114.1	V495 R496 T499 L582 D722 M723 F726 H747	V495-W749 HydrophobicContact CG1-CH2 4.18Å; V495-W749 HydrophobicContact CG1-CZ2 4.18Å; R496-W749 HydrophobicContact CB-CH2 4.18Å; R496-W749 HydrophobicContact CB-CZ2 3.59Å; R496-W749 WeakPolarHBondContact CD-O 3.38Å; R496-W749 HydrophobicContact CG-CD2 4.2Å; R496-W749 HydrophobicContact CG-CH2 4.3Å; R496-W749 HydrophobicContact CG-CZ2 3.81Å; R496-W749 PolarHBondContact NE-O 3.24Å; T499-W749 HydrophobicContact CG2-CH2 4.21Å; T499-W749 HydrophobicContact CG2-CZ3 3.76Å; L582-W749 HydrophobicContact CD1-CH2 3.64Å; L582-W749 HydrophobicContact CD1-CZ2 4.37Å; L582-W749 HydrophobicContact CD1-CZ3 4.35Å; L582-W749 HydrophobicContact CD2-CH2 3.95Å; L582-W749 HydrophobicContact CD2-CZ3 3.82Å; L582-W749 HydrophobicContact CG-CH2 4.49Å; D722-W749 HydrophobicContact CB-CB 3.57Å; D722-W749 HydrophobicContact CB-CG 4.32Å; D722-W749 WeakPolarHBondContact O-CB 3.15Å; D722-W749 PolarHBondContact OD2-N 3.21Å; M723-W749 HydrophobicContact CB-CD2 4.22Å; M723-W749 HydrophobicContact CB-CG 4.25Å; M723-W749 HydrophobicContact CB-CZ2 4.41Å; M723-W749 HydrophobicContact CE-CZ2 3.77Å; M723-W749 HydrophobicContact CG-CD2 4.21Å; M723-W749 HydrophobicContact CG-CH2 4.26Å; M723-W749 HydrophobicContact CG-CZ2 3.68Å; M723-W749 HydrophobicContact SD-CZ2 4.13Å; F726-W749 HydrophobicContact CB-CB 4.47Å; F726-W749 HydrophobicContact CB-CE3 3.94Å; F726-W749 AromaticContact CD1-CE3 3.84Å; F726-W749 HydrophobicContact CD1-CE3 3.84Å; F726-W749 AromaticContact CD1-CZ3 3.76Å; F726-W749 HydrophobicContact CD1-CZ3 3.76Å; F726-W749 AromaticContact CD2-CE3 3.78Å; F726-W749 HydrophobicContact CD2-CE3 3.78Å; F726-W749 HydrophobicContact CD2-CZ3 4.36Å; F726-W749 HydrophobicContact CE1-CE3 4.31Å; F726-W749 AromaticContact CE1-CZ3 3.94Å; F726-W749 HydrophobicContact CE1-CZ3 3.94Å; F726-W749 HydrophobicContact CE2-CE3 4.22Å; F726-W749 HydrophobicContact CE2-CZ3 4.48Å; F726-W749 AromaticContact CG-CE3 3.56Å; F726-W749 HydrophobicContact CG-CE3 3.56Å; F726-W749 AromaticContact CG-CZ3 4Å; F726-W749 HydrophobicContact CG-CZ3 4Å; F726-W749 HydrophobicContact CZ-CE3 4.48Å; F726-W749 HydrophobicContact CZ-CZ3 4.29Å; H747-W749 VanDerWaalsContact C-N 3.28Å; H747-W749 PolarHBondContact O-N 3.2Å
750	I	96.6	Very high	76.5	Confident	5 Å²	5	70.1 Å²	70.1	3%	0.026	38%	0.379	C	S	.	.	H	α-helix	trans	-77.1	-44.1	-179.9	-63.9	-61.2	0	0	0	109.9	R496 T499 Y500 L503 F726 A744 H747 P748 K752 M753	R496-I750 HydrophobicContact CG-CD1 4.27Å; T499-I750 HydrophobicContact CG2-CD1 4.22Å; Y500-I750 HydrophobicContact CD2-CG2 3.74Å; Y500-I750 HydrophobicContact CE2-CG2 4.48Å; L503-I750 HydrophobicContact CD1-CD1 4.01Å; L503-I750 HydrophobicContact CD1-CG1 3.98Å; F726-I750 HydrophobicContact CD2-CG1 4.25Å; F726-I750 HydrophobicContact CE2-CD1 4.31Å; F726-I750 HydrophobicContact CE2-CG1 3.84Å; A744-I750 WeakPolarHBondContact O-CG1 3.24Å; H747-I750 HydrophobicContact CB-CG1 4.4Å; H747-I750 PolarHBondContact O-N 3.02Å; P748-I750 VanDerWaalsContact C-N 3.31Å; P748-I750 PolarHBondContact O-N 3.25Å; I750-K752 PolarHBondContact O-N 2.88Å; I750-M753 WeakPolarHBondContact O-CB 3.31Å; I750-M753 WeakPolarHBondContact O-CG 3.45Å; I750-M753 PolarHBondContact O-N 3.35Å
751	K	93.1	Very high	73.5	Confident	105 Å²	105	72.2 Å²	72.2	46%	0.457	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-31.1	177.2	-78.2	177.6	173.2	150	0	113.3	N746 H747 P748 M753 S754	N746-K751 VanDerWaalsContact O-CD 3.31Å; N746-K751 WeakPolarHBondContact O-CD 3.41Å; N746-K751 VanDerWaalsContact O-CE 3.23Å; N746-K751 WeakPolarHBondContact O-CE 3.4Å; N746-K751 PolarHBondContact O-NZ 2.89Å; N746-K751 WeakPolarHBondContact OD1-CE 3.4Å; N746-K751 PolarHBondContact OD1-NZ 3.28Å; H747-K751 PolarHBondContact O-N 2.58Å; P748-K751 PolarHBondContact O-N 3.33Å; K751-M753 PolarHBondContact O-N 3.36Å; K751-S754 PolarHBondContact O-N 2.85Å; K751-S754 PolarHBondContact O-OG 2.95Å
752	K	86.4	Confident	70.4	Confident	63 Å²	63	77.4 Å²	77.4	27%	0.274	42%	0.421	S	S	.	.	H	α-helix	trans	-52.5	-15.8	170.7	-78.7	173.1	174.2	167.8	0	114.4	D720 D722 P748 I750 S754 S755	D720-K752 IonicContact OD1-NZ 3.65Å; D720-K752 PolarHBondContact OD1-NZ 2.63Å; D720-K752 IonicContact OD2-NZ 3.69Å; D722-K752 IonicContact OD1-NZ 3.28Å; D722-K752 PolarHBondContact OD1-NZ 3.39Å; D722-K752 WeakPolarHBondContact OD2-CE 3.37Å; D722-K752 IonicContact OD2-NZ 3.74Å; D722-K752 PolarHBondContact OD2-NZ 3.08Å; P748-K752 WeakPolarHBondContact O-CG 3.49Å; P748-K752 PolarHBondContact O-N 3.5Å; I750-K752 PolarHBondContact O-N 2.88Å; K752-S754 VanDerWaalsContact C-N 3.3Å; K752-S754 PolarHBondContact O-N 2.71Å; K752-S755 PolarHBondContact O-N 3.04Å
753	M	74.1	Confident	67.3	Low	63 Å²	63	77.1 Å²	77.1	31%	0.31	42%	0.423	S	S	.	.	H	α-helix	trans	-62.9	-29.9	172.2	-74	-176.4	52.1	0	0	114.1	R496 K497 Y500 I750 K751	R496-M753 VanDerWaalsContact CD-CG 3.46Å; R496-M753 HydrophobicContact CG-CG 3.91Å; R496-M753 HydrophobicContact CG-SD 4.03Å; K497-M753 HydrophobicContact CG-CE 4.19Å; Y500-M753 HydrophobicContact CD1-CE 4.17Å; Y500-M753 HydrophobicContact CD2-SD 4.32Å; Y500-M753 HydrophobicContact CG-CE 4.06Å; Y500-M753 HydrophobicContact CG-SD 3.96Å; I750-M753 WeakPolarHBondContact O-CB 3.31Å; I750-M753 WeakPolarHBondContact O-CG 3.45Å; I750-M753 PolarHBondContact O-N 3.35Å; K751-M753 PolarHBondContact O-N 3.36Å
754	S	55.8	Low	64.1	Low	102 Å²	102	79.8 Å²	79.8	71%	0.713	43%	0.434	S	S	*	.	H	α-helix	trans	-73.9	-34.7	179.4	62	0	0	0	0	112.4	K751 K752	K751-S754 PolarHBondContact O-N 2.85Å; K751-S754 PolarHBondContact O-OG 2.95Å; K752-S754 VanDerWaalsContact C-N 3.3Å; K752-S754 PolarHBondContact O-N 2.71Å
755	S	50.9	Low	61	Low	95 Å²	95	85.8 Å²	85.8	66%	0.664	47%	0.465	S	S	*	.	H	α-helix	trans	-74.6	-24.3	-176.9	-37	0	0	0	0	113.5	K752 S757	K752-S755 PolarHBondContact O-N 3.04Å; S755-S757 VanDerWaalsContact C-N 3.34Å; S755-S757 PolarHBondContact O-N 3.14Å; S755-S757 VanDerWaalsContact O-N 3.15Å
756	Q	47.1	Very low	57.8	Low	112 Å²	112	87.5 Å²	87.5	52%	0.523	48%	0.483	S	S	.	.			trans	-88.8	68.7	179.3	-67.6	-169.3	-24.7	0	0	111.2	F758	Q756-F758 PolarHBondContact O-N 3.16Å
757	S	32.4	Very low	54.5	Low	109 Å²	109	88.1 Å²	88.1	76%	0.762	49%	0.491	S	S	*	.			trans	-55.8	109.7	171.7	59.7	0	0	0	0	110	S755 G759	S755-S757 VanDerWaalsContact C-N 3.34Å; S755-S757 PolarHBondContact O-N 3.14Å; S755-S757 VanDerWaalsContact O-N 3.15Å; S757-G759 PolarHBondContact O-N 3.37Å; S757-G759 VanDerWaalsContact O-N 3.08Å
758	F	35.3	Very low	51.3	Low	134 Å²	134	92.1 Å²	92.1	59%	0.588	52%	0.52	S	S	*	.			trans	-70.3	108.4	-167.8	-151.9	-121.5	0	0	0	110.5	Q756 R760 T761	Q756-F758 PolarHBondContact O-N 3.16Å; F758-R760 PolarHBondContact O-N 2.98Å; F758-T761 VanDerWaalsContact CD1-OG1 3.26Å; F758-T761 WeakPolarHBondContact CD1-OG1 3.39Å; F758-T761 WeakPolarHBondContact CE1-OG1 3.43Å
759	G	29.3	Very low	48.2	Very low	64 Å²	64	95.6 Å²	95.6	66%	0.66	54%	0.535	S	S	*	.			trans	-60.2	99.7	-176.5	0	0	0	0	0	112.8	S757 T761	S757-G759 PolarHBondContact O-N 3.37Å; S757-G759 VanDerWaalsContact O-N 3.08Å; G759-T761 PolarHBondContact O-N 3.25Å; G759-T761 VanDerWaalsContact O-N 3.13Å
760	R	29.9	Very low	44.9	Very low	210 Å²	210	100.3 Å²	100.3	79%	0.792	57%	0.567	S	S	*	*	S	Bend	trans	33.4	62.6	160.7	-75.6	-169.2	172.7	-179.6	-1.3	116.1	F758 S763	F758-R760 PolarHBondContact O-N 2.98Å; R760-S763 WeakPolarHBondContact CA-OG 3.44Å; R760-S763 VanDerWaalsContact CB-OG 3.24Å; R760-S763 WeakPolarHBondContact CB-OG 3.33Å; R760-S763 WeakPolarHBondContact CG-OG 3.35Å
761	T	36.1	Very low	41.8	Very low	75 Å²	75	108 Å²	108	46%	0.46	61%	0.608	S	S	.	*	S	Bend	trans	-115.8	-30.2	171.2	38.2	0	0	0	0	114.6	F758 G759 S763 F764	F758-T761 VanDerWaalsContact CD1-OG1 3.26Å; F758-T761 WeakPolarHBondContact CD1-OG1 3.39Å; F758-T761 WeakPolarHBondContact CE1-OG1 3.43Å; G759-T761 PolarHBondContact O-N 3.25Å; G759-T761 VanDerWaalsContact O-N 3.13Å; T761-S763 PolarHBondContact O-N 2.97Å; T761-F764 PolarHBondContact O-N 3.2Å
762	D	34	Very low	38.9	Very low	116 Å²	116	107.4 Å²	107.4	62%	0.62	62%	0.623	S	S	*	*	S	Bend	trans	-67.5	-22.8	161.4	-78.8	-60.5	0	0	0	111.3	K531	K531-D762 IonicContact NZ-OD1 2.72Å; K531-D762 PolarHBondContact NZ-OD1 3.31Å; K531-D762 VanDerWaalsContact NZ-OD1 3.07Å
763	S	31.8	Very low	36.2	Very low	54 Å²	54	112.4 Å²	112.4	38%	0.378	65%	0.653	S	S	.	*	S	Bend	trans	-88	-13.3	174.5	74.2	0	0	0	0	114.9	R760 T761 L765 A766	R760-S763 WeakPolarHBondContact CA-OG 3.44Å; R760-S763 VanDerWaalsContact CB-OG 3.24Å; R760-S763 WeakPolarHBondContact CB-OG 3.33Å; R760-S763 WeakPolarHBondContact CG-OG 3.35Å; T761-S763 PolarHBondContact O-N 2.97Å; S763-L765 PolarHBondContact O-N 3.08Å; S763-A766 WeakPolarHBondContact O-CB 3.42Å; S763-A766 PolarHBondContact O-N 3.42Å
764	F	29.3	Very low	34.2	Very low	157 Å²	157	115.5 Å²	115.5	69%	0.689	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-7.3	175.6	-151.2	-91.8	0	0	0	112.4	T761	T761-F764 PolarHBondContact O-N 3.2Å
765	L	34.3	Very low	33	Very low	127 Å²	127	117.3 Å²	117.3	67%	0.665	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-10.7	167.2	-65	173	0	0	0	112.7	S763	S763-L765 PolarHBondContact O-N 3.08Å
766	A	29.4	Very low	31.9	Very low	63 Å²	63	117.9 Å²	117.9	52%	0.521	68%	0.681	S	S	.	*	G	3₁₀ helix	trans	-76.9	-29.4	-179.9	0	0	0	0	0	112.9	S763 C768 N769	S763-A766 WeakPolarHBondContact O-CB 3.42Å; S763-A766 PolarHBondContact O-N 3.42Å; A766-C768 PolarHBondContact O-N 2.9Å; A766-N769 PolarHBondContact O-N 2.95Å; A766-N769 VanDerWaalsContact O-N 3.1Å
767	T	28.3	Very low	30.9	Very low	106 Å²	106	117.3 Å²	117.3	65%	0.65	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-69.6	8.6	-178.7	-24.4	0	0	0	0	114.3
768	C	29.8	Very low	30.6	Very low	104 Å²	104	121.7 Å²	121.7	70%	0.703	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-102.9	-9.6	172.3	-60.8	0	0	0	0	113.6	A766	A766-C768 PolarHBondContact O-N 2.9Å
769	N	30.8	Very low	30.2	Very low	144 Å²	144	122.6 Å²	122.6	77%	0.77	70%	0.701	S	S	*	*			trans	-119.1	30.2	-173.9	-75.8	2.9	0	0	0	113.2	A766 N771	A766-N769 PolarHBondContact O-N 2.95Å; A766-N769 VanDerWaalsContact O-N 3.1Å; N769-N771 VanDerWaalsContact C-N 3.26Å; N769-N771 PolarHBondContact O-N 3.24Å
770	S	27.5	Very low	30	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	71%	0.71	S	S	*	*			trans	-77.3	69.1	178.2	58.8	0	0	0	0	112.4
771	N	31.4	Very low	29.9	Very low	166 Å²	166	125.7 Å²	125.7	89%	0.888	70%	0.704	S	S	*	*	S	Bend	trans	-171.8	76.7	163.9	-99.4	-16.6	0	0	0	111.7	N769	N769-N771 VanDerWaalsContact C-N 3.26Å; N769-N771 PolarHBondContact O-N 3.24Å
772	A	33.5	Very low	29.5	Very low	94 Å²	94	129.6 Å²	129.6	78%	0.777	72%	0.722	S	S	*	*			trans	172.7	95.1	153.1	0	0	0	0	0	110.2
773	N	28.1	Very low	29.2	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	72%	0.723	S	S	*	*			trans	-116.2	96.5	168.8	-93.6	-5.1	0	0	0	109.1
774	T	32.1	Very low	29.1	Very low	129 Å²	129	131.1 Å²	131.1	79%	0.791	73%	0.732	S	S	*	*			trans	-160	156.3	157.1	14.8	0	0	0	0	110.5
775	D	31.5	Very low	29.1	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	74%	0.735	S	S	*	*			trans	59.2	92.3	159.7	-56.4	-9.5	0	0	0	119.1
776	S	27.6	Very low	28.8	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	74%	0.742	S	S	*	*			trans	-56.2	159.1	151.3	53.4	0	0	0	0	113
777	S	25.5	Very low	28.8	Very low	101 Å²	101	135.5 Å²	135.5	71%	0.706	75%	0.749	S	S	*	*			trans	103.5	20.3	161.3	80.8	0	0	0	0	120.8
778	Y	28	Very low	28.8	Very low	201 Å²	201	137.5 Å²	137.5	79%	0.788	76%	0.756	S	S	*	*			trans	-111	103.1	170	-72	-75.6	0	0	0	115.7
779	L	26.1	Very low	28.7	Very low	153 Å²	153	134.2 Å²	134.2	80%	0.801	74%	0.739	S	S	*	*			trans	34.7	135.6	139.8	-72.2	164	0	0	0	122.4	N781	L779-N781 PolarHBondContact O-N 2.81Å
780	Y	25.8	Very low	28.6	Very low	212 Å²	212	131.2 Å²	131.2	83%	0.831	73%	0.728	S	S	*	*			trans	-32.1	123.7	151.3	-85.6	-119.2	0	0	0	114
781	N	26.1	Very low	28.9	Very low	127 Å²	127	131.2 Å²	131.2	68%	0.679	72%	0.724	S	S	*	*			trans	-152.9	100.2	152.4	-152	-10.7	0	0	0	112.7	L779 N783	L779-N781 PolarHBondContact O-N 2.81Å; N781-N783 VanDerWaalsContact C-N 3.29Å; N781-N783 PolarHBondContact O-N 3.43Å
782	N	29	Very low	29.1	Very low	156 Å²	156	132.8 Å²	132.8	83%	0.834	72%	0.723	S	S	*	*			trans	-88.2	56	175.9	-85	-50.2	0	0	0	111.3
783	N	28	Very low	29.5	Very low	121 Å²	121	136 Å²	136	65%	0.647	72%	0.722	S	S	*	*			trans	-148.2	93.7	-179.6	-83.9	-43.2	0	0	0	112	N781	N781-N783 VanDerWaalsContact C-N 3.29Å; N781-N783 PolarHBondContact O-N 3.43Å
784	S	28.8	Very low	30.7	Very low	81 Å²	81	132.5 Å²	132.5	57%	0.566	71%	0.706	S	S	*	*			trans	-176.7	-26	164.5	53.3	0	0	0	0	115.6	F786 T787	S784-F786 PolarHBondContact O-N 3.2Å; S784-T787 PolarHBondContact O-OG1 2.92Å
785	I	28.5	Very low	32.1	Very low	146 Å²	146	128.4 Å²	128.4	75%	0.749	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-2.3	-163.7	-62.9	178.9	0	0	0	114.7
786	F	29.2	Very low	33.5	Very low	183 Å²	183	126.4 Å²	126.4	80%	0.803	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.3	58.8	172.9	-76.2	-75.5	0	0	0	112.8	S784	S784-F786 PolarHBondContact O-N 3.2Å
787	T	28.9	Very low	35.2	Very low	111 Å²	111	126.2 Å²	126.2	68%	0.681	67%	0.666	S	S	*	*	S	Bend	trans	-117.7	115.5	171.4	55.5	0	0	0	0	111.6	S784 G789	S784-T787 PolarHBondContact O-OG1 2.92Å; T787-G789 PolarHBondContact O-N 3.25Å
788	N	28.2	Very low	37.2	Very low	148 Å²	148	125.4 Å²	125.4	79%	0.791	65%	0.651	S	S	*	*	S	Bend	trans	5.1	78.1	167.1	-70.5	-20.7	0	0	0	117.4	Y844	N788-Y844 WeakPolarHBondContact CB-OH 3.32Å; N788-Y844 PolarHBondContact OD1-OH 3.3Å
789	G	28.5	Very low	39.1	Very low	34 Å²	34	116.3 Å²	116.3	35%	0.351	62%	0.616	S	S	.	*	S	Bend	trans	-155	159	170.4	0	0	0	0	0	110.1	T787 T791	T787-G789 PolarHBondContact O-N 3.25Å; G789-T791 VanDerWaalsContact C-N 3.34Å; G789-T791 PolarHBondContact O-N 3.39Å
790	P	28.3	Very low	41.1	Very low	82 Å²	82	109.7 Å²	109.7	53%	0.532	58%	0.581	S	S	.	*			trans	-72	87.2	-176.7	31.1	-36.8	0	0	0	110.8	K792	P790-K792 PolarHBondContact O-N 2.9Å; P790-K792 VanDerWaalsContact O-N 3.14Å
791	T	33.7	Very low	43.4	Very low	97 Å²	97	100 Å²	100	60%	0.595	55%	0.545	S	S	*	.			trans	-58.7	117.5	169	51.2	0	0	0	0	108.7	G789 H793	G789-T791 VanDerWaalsContact C-N 3.34Å; G789-T791 PolarHBondContact O-N 3.39Å; T791-H793 PolarHBondContact O-N 2.88Å
792	K	35.3	Very low	45.7	Very low	199 Å²	199	97 Å²	97	87%	0.865	54%	0.535	S	S	*	.			trans	-53.9	112.2	173.3	-77.7	-175.6	175.2	178.8	0	108.8	P790 V794	P790-K792 PolarHBondContact O-N 2.9Å; P790-K792 VanDerWaalsContact O-N 3.14Å; K792-V794 PolarHBondContact O-N 3.49Å
793	H	42.4	Very low	47.9	Very low	163 Å²	163	90.4 Å²	90.4	76%	0.755	50%	0.499	S	S	*	.			trans	-63.1	98.2	172.9	-94.6	-92.6	0	0	0	108.7	T791 S795	T791-H793 PolarHBondContact O-N 2.88Å; H793-S795 PolarHBondContact O-N 3.4Å
794	V	54.4	Low	50.3	Low	92 Å²	92	86 Å²	86	56%	0.558	48%	0.476	S	S	*	.			trans	-58.6	121	160.2	179.3	0	0	0	0	105.8	K792 E798 F799	K792-V794 PolarHBondContact O-N 3.49Å; V794-E798 HydrophobicContact CG1-CB 3.62Å; V794-F799 HydrophobicContact CG1-CB 4.25Å
795	S	60.8	Low	52	Low	43 Å²	43	85.4 Å²	85.4	30%	0.301	48%	0.481	S	S	.	.			trans	-61.6	149.2	179.7	60.6	0	0	0	0	110.2	H793 T797 E798 F799	H793-S795 PolarHBondContact O-N 3.4Å; S795-T797 WeakPolarHBondContact CB-OG1 3.49Å; S795-T797 PolarHBondContact O-N 3.06Å; S795-T797 PolarHBondContact OG-OG1 3.4Å; S795-E798 WeakPolarHBondContact CB-OE2 3.33Å; S795-E798 PolarHBondContact N-OE2 3.39Å; S795-E798 PolarHBondContact O-N 3Å; S795-E798 WeakPolarHBondContact OG-CB 2.97Å; S795-E798 VanDerWaalsContact OG-CD 3.29Å; S795-E798 VanDerWaalsContact OG-CG 3.25Å; S795-E798 WeakPolarHBondContact OG-CG 3.05Å; S795-E798 PolarHBondContact OG-N 3.24Å; S795-E798 VanDerWaalsContact OG-N 3.16Å; S795-E798 PolarHBondContact OG-OE2 2.64Å; S795-F799 PolarHBondContact O-N 2.71Å
796	D	60.7	Low	53.6	Low	97 Å²	97	82.8 Å²	82.8	52%	0.519	47%	0.472	S	S	.	.	H	α-helix	trans	-54	-32	176.1	-71.4	-62.9	0	0	0	111.6	R484 V800	R484-D796 IonicContact CZ-OD1 3.7Å; R484-D796 IonicContact NH1-OD1 2.85Å; R484-D796 PolarHBondContact NH1-OD1 2.66Å; D796-V800 WeakPolarHBondContact O-CB 3.49Å; D796-V800 WeakPolarHBondContact O-CG2 3.39Å; D796-V800 PolarHBondContact O-N 3.4Å
797	T	63	Low	54.3	Low	103 Å²	103	85.4 Å²	85.4	63%	0.632	48%	0.477	S	S	*	.	H	α-helix	trans	-62.6	-44	171.7	34.8	0	0	0	0	114.2	S795 A801	S795-T797 WeakPolarHBondContact CB-OG1 3.49Å; S795-T797 PolarHBondContact O-N 3.06Å; S795-T797 PolarHBondContact OG-OG1 3.4Å; T797-A801 WeakPolarHBondContact O-CB 3.45Å; T797-A801 PolarHBondContact O-N 3.1Å
798	E	66.8	Low	55.1	Low	85 Å²	85	83.4 Å²	83.4	40%	0.397	46%	0.464	S	S	.	.	H	α-helix	trans	-72.3	-36.8	175.5	-73.4	162.4	124.8	0	0	111.8	V794 S795 A801 S802 T808	V794-E798 HydrophobicContact CG1-CB 3.62Å; S795-E798 WeakPolarHBondContact CB-OE2 3.33Å; S795-E798 PolarHBondContact N-OE2 3.39Å; S795-E798 PolarHBondContact O-N 3Å; S795-E798 WeakPolarHBondContact OG-CB 2.97Å; S795-E798 VanDerWaalsContact OG-CD 3.29Å; S795-E798 VanDerWaalsContact OG-CG 3.25Å; S795-E798 WeakPolarHBondContact OG-CG 3.05Å; S795-E798 PolarHBondContact OG-N 3.24Å; S795-E798 VanDerWaalsContact OG-N 3.16Å; S795-E798 PolarHBondContact OG-OE2 2.64Å; E798-A801 PolarHBondContact O-N 3.46Å; E798-S802 WeakPolarHBondContact O-CB 3.14Å; E798-S802 PolarHBondContact O-N 3.45Å; E798-S802 PolarHBondContact O-OG 3.24Å; E798-T808 HydrophobicContact CG-CG2 3.97Å
799	F	69	Low	55.7	Low	9 Å²	9	86 Å²	86	4%	0.039	46%	0.463	C	S	.	.	H	α-helix	trans	-59.3	-51.9	172.9	154.1	-98	0	0	0	110.8	Y475 I476 L481 L526 P529 V794 S795 A801 S802 I803	Y475-F799 HydrophobicContact CD1-CE2 4.13Å; Y475-F799 HydrophobicContact CD1-CZ 4.23Å; Y475-F799 HydrophobicContact CE1-CD2 4.16Å; Y475-F799 HydrophobicContact CE1-CE1 4.17Å; Y475-F799 AromaticContact CE1-CE2 3.5Å; Y475-F799 HydrophobicContact CE1-CE2 3.5Å; Y475-F799 VanDerWaalsContact CE1-CE2 3.5Å; Y475-F799 AromaticContact CE1-CZ 3.53Å; Y475-F799 HydrophobicContact CE1-CZ 3.53Å; I476-F799 HydrophobicContact CD1-CE1 3.78Å; I476-F799 HydrophobicContact CD1-CZ 3.75Å; I476-F799 HydrophobicContact CG1-CZ 4.41Å; L481-F799 HydrophobicContact CD1-CE1 4.23Å; L481-F799 HydrophobicContact CD1-CZ 4.13Å; L526-F799 HydrophobicContact CD1-CZ 4.1Å; P529-F799 HydrophobicContact CB-CD2 4.07Å; P529-F799 HydrophobicContact CB-CE2 4.23Å; V794-F799 HydrophobicContact CG1-CB 4.25Å; S795-F799 PolarHBondContact O-N 2.71Å; F799-A801 PolarHBondContact O-N 3.05Å; F799-S802 PolarHBondContact O-N 3Å; F799-S802 PolarHBondContact O-OG 3.39Å; F799-I803 HydrophobicContact CD2-CD1 4.38Å; F799-I803 HydrophobicContact CE2-CD1 3.41Å; F799-I803 VanDerWaalsContact CE2-CD1 3.41Å; F799-I803 HydrophobicContact CE2-CG1 4.08Å; F799-I803 HydrophobicContact CZ-CD1 3.59Å; F799-I803 HydrophobicContact CZ-CG1 4.44Å; F799-I803 PolarHBondContact O-N 2.84Å
800	V	68.9	Low	56.3	Low	14 Å²	14	93.8 Å²	93.8	9%	0.085	49%	0.487	C	S	.	.	H	α-helix	trans	-58.4	-49.7	176.9	167.9	0	0	0	0	110.2	R484 D796 S802 I803 L804	R484-V800 HydrophobicContact CB-CG2 3.6Å; D796-V800 WeakPolarHBondContact O-CB 3.49Å; D796-V800 WeakPolarHBondContact O-CG2 3.39Å; D796-V800 PolarHBondContact O-N 3.4Å; V800-S802 VanDerWaalsContact C-N 3.27Å; V800-S802 PolarHBondContact O-N 3.03Å; V800-I803 PolarHBondContact O-N 3.45Å; V800-I803 VanDerWaalsContact O-N 3.16Å; V800-L804 HydrophobicContact CG1-CD1 3.47Å; V800-L804 VanDerWaalsContact CG1-CD1 3.47Å; V800-L804 HydrophobicContact CG1-CG 4.11Å; V800-L804 VanDerWaalsContact O-CG 3.32Å; V800-L804 WeakPolarHBondContact O-CG 3.27Å; V800-L804 PolarHBondContact O-N 2.85Å
801	A	72.1	Confident	56.7	Low	9 Å²	9	101.2 Å²	101.2	7%	0.074	51%	0.505	C	S	.	.	H	α-helix	trans	-57.4	-39.6	179.1	0	0	0	0	0	112.4	T797 E798 F799 I803 L804 G805 V806 T808	T797-A801 WeakPolarHBondContact O-CB 3.45Å; T797-A801 PolarHBondContact O-N 3.1Å; E798-A801 PolarHBondContact O-N 3.46Å; F799-A801 PolarHBondContact O-N 3.05Å; A801-I803 PolarHBondContact O-N 2.99Å; A801-L804 PolarHBondContact O-N 3.23Å; A801-G805 PolarHBondContact O-N 3.13Å; A801-V806 HydrophobicContact CB-CB 4.17Å; A801-V806 WeakPolarHBondContact CB-O 3.39Å; A801-V806 PolarHBondContact O-N 2.59Å; A801-T808 HydrophobicContact CB-CG2 3.69Å
802	S	76.1	Confident	56.6	Low	65 Å²	65	101.4 Å²	101.4	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-65.6	-34.9	178.2	75.3	0	0	0	0	114	G530 E798 F799 V800	G530-S802 WeakPolarHBondContact CA-OG 3.35Å; E798-S802 WeakPolarHBondContact O-CB 3.14Å; E798-S802 PolarHBondContact O-N 3.45Å; E798-S802 PolarHBondContact O-OG 3.24Å; F799-S802 PolarHBondContact O-N 3Å; F799-S802 PolarHBondContact O-OG 3.39Å; V800-S802 VanDerWaalsContact C-N 3.27Å; V800-S802 PolarHBondContact O-N 3.03Å
803	I	75.5	Confident	56.8	Low	17 Å²	17	97.6 Å²	97.6	9%	0.087	50%	0.498	C	S	.	.	H	α-helix	trans	-76.8	-40.1	174.9	-68.6	-166.8	0	0	0	111.5	L481 L494 L526 F799 V800 A801 G805	L481-I803 HydrophobicContact CD1-CD1 4.33Å; L481-I803 HydrophobicContact CD1-CG2 4.32Å; L481-I803 HydrophobicContact CD2-CG2 4.12Å; L494-I803 HydrophobicContact CD1-CG2 4.42Å; L494-I803 HydrophobicContact CD2-CG2 3.99Å; L526-I803 HydrophobicContact CD1-CD1 3.48Å; L526-I803 VanDerWaalsContact CD1-CD1 3.48Å; L526-I803 HydrophobicContact CD2-CD1 4.47Å; F799-I803 HydrophobicContact CD2-CD1 4.38Å; F799-I803 HydrophobicContact CE2-CD1 3.41Å; F799-I803 VanDerWaalsContact CE2-CD1 3.41Å; F799-I803 HydrophobicContact CE2-CG1 4.08Å; F799-I803 HydrophobicContact CZ-CD1 3.59Å; F799-I803 HydrophobicContact CZ-CG1 4.44Å; F799-I803 PolarHBondContact O-N 2.84Å; V800-I803 PolarHBondContact O-N 3.45Å; V800-I803 VanDerWaalsContact O-N 3.16Å; A801-I803 PolarHBondContact O-N 2.99Å; I803-G805 VanDerWaalsContact C-N 3.26Å; I803-G805 PolarHBondContact O-N 2.69Å
804	L	78.1	Confident	56.6	Low	29 Å²	29	93.8 Å²	93.8	15%	0.152	49%	0.489	C	S	.	.	H	α-helix	trans	-77.1	-10.6	-179.2	-60.4	-179.2	0	0	0	113.6	N485 F490 L494 V800 A801 V806	N485-L804 HydrophobicContact CB-CD1 4.17Å; N485-L804 WeakPolarHBondContact OD1-CD1 3.14Å; F490-L804 HydrophobicContact CD1-CD2 3.56Å; F490-L804 HydrophobicContact CE1-CD2 4.02Å; F490-L804 HydrophobicContact CG-CD2 4.49Å; L494-L804 HydrophobicContact CD2-CD2 3.7Å; V800-L804 HydrophobicContact CG1-CD1 3.47Å; V800-L804 VanDerWaalsContact CG1-CD1 3.47Å; V800-L804 HydrophobicContact CG1-CG 4.11Å; V800-L804 VanDerWaalsContact O-CG 3.32Å; V800-L804 WeakPolarHBondContact O-CG 3.27Å; V800-L804 PolarHBondContact O-N 2.85Å; A801-L804 PolarHBondContact O-N 3.23Å; L804-V806 VanDerWaalsContact C-N 3.35Å; L804-V806 HydrophobicContact CB-CG2 3.97Å
805	G	64.4	Low	55.7	Low	67 Å²	67	96.5 Å²	96.5	69%	0.691	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	16.7	-176.7	0	0	0	0	0	114.3	A801 I803	A801-G805 PolarHBondContact O-N 3.13Å; I803-G805 VanDerWaalsContact C-N 3.26Å; I803-G805 PolarHBondContact O-N 2.69Å
806	V	60.9	Low	54.4	Low	91 Å²	91	101.8 Å²	101.8	55%	0.552	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-85.5	134.9	-179	-177.9	0	0	0	0	109.7	A801 L804 T808	A801-V806 HydrophobicContact CB-CB 4.17Å; A801-V806 WeakPolarHBondContact CB-O 3.39Å; A801-V806 PolarHBondContact O-N 2.59Å; L804-V806 VanDerWaalsContact C-N 3.35Å; L804-V806 HydrophobicContact CB-CG2 3.97Å; V806-T808 PolarHBondContact O-N 3.29Å
807	R	43.7	Very low	53	Low	239 Å²	239	105.9 Å²	105.9	90%	0.902	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-78.2	118.1	172.1	-72.5	-179.9	174.5	169.9	-2.4	110.1
808	T	47.1	Very low	51.4	Low	68 Å²	68	108.7 Å²	108.7	42%	0.417	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-72.3	136.9	160.6	49	0	0	0	0	109.4	E798 A801 V806 K810	E798-T808 HydrophobicContact CG-CG2 3.97Å; A801-T808 HydrophobicContact CB-CG2 3.69Å; V806-T808 PolarHBondContact O-N 3.29Å; T808-K810 PolarHBondContact O-N 3.31Å
809	R	39.5	Very low	49.7	Very low	202 Å²	202	109.9 Å²	109.9	76%	0.762	57%	0.567	S	S	*	*			trans	-72.6	114.7	166.9	-64.4	-172.1	-172.8	-161.3	3.2	107.4	D707 R811	D707-R809 IonicContact OD1-CZ 3.87Å; D707-R809 IonicContact OD1-NH2 2.79Å; D707-R809 PolarHBondContact OD1-NH2 3.43Å; R809-R811 PolarHBondContact O-N 2.79Å
810	K	42.4	Very low	47.7	Very low	199 Å²	199	121.6 Å²	121.6	87%	0.865	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-57.4	132.8	166.1	-73.9	-175.8	176.5	-179.8	0	108	T808	T808-K810 PolarHBondContact O-N 3.31Å
811	R	36.7	Very low	45.9	Very low	237 Å²	237	130.7 Å²	130.7	89%	0.894	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-69	145.9	165.2	-76.2	-179.5	170.8	161.5	-4.4	109	R809	R809-R811 PolarHBondContact O-N 2.79Å
812	D	31.5	Very low	44	Very low	102 Å²	102	135.3 Å²	135.3	55%	0.545	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-69.8	127.9	-176.2	-160.5	-57.6	0	0	0	110.8	S814	D812-S814 VanDerWaalsContact CG-OG 3.27Å; D812-S814 PolarHBondContact O-N 3.33Å; D812-S814 VanDerWaalsContact OD1-CB 3.27Å; D812-S814 WeakPolarHBondContact OD1-CB 3.05Å; D812-S814 PolarHBondContact OD1-N 3.02Å; D812-S814 PolarHBondContact OD1-OG 2.87Å
813	P	39.5	Very low	41.9	Very low	118 Å²	118	141.1 Å²	141.1	77%	0.766	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-63.8	-18.3	177.4	-22.7	34.5	0	0	0	114.9	L815	P813-L815 VanDerWaalsContact C-N 3.32Å; P813-L815 PolarHBondContact O-N 3.33Å
814	S	37	Very low	39.8	Very low	83 Å²	83	144 Å²	144	58%	0.58	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-72.7	-17.2	-173.5	59.4	0	0	0	0	115.1	D812 L816	D812-S814 VanDerWaalsContact CG-OG 3.27Å; D812-S814 PolarHBondContact O-N 3.33Å; D812-S814 VanDerWaalsContact OD1-CB 3.27Å; D812-S814 WeakPolarHBondContact OD1-CB 3.05Å; D812-S814 PolarHBondContact OD1-N 3.02Å; D812-S814 PolarHBondContact OD1-OG 2.87Å; S814-L816 VanDerWaalsContact C-N 3.3Å; S814-L816 PolarHBondContact O-N 2.99Å
815	L	36.8	Very low	37.6	Very low	149 Å²	149	151.9 Å²	151.9	78%	0.78	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-88.1	20.4	-173.5	-63.5	176.6	0	0	0	114.8	P813	P813-L815 VanDerWaalsContact C-N 3.32Å; P813-L815 PolarHBondContact O-N 3.33Å
816	L	33.1	Very low	36	Very low	155 Å²	155	154.2 Å²	154.2	81%	0.812	77%	0.769	S	S	*	*			trans	-124.7	51.1	-178.8	-74.9	172.8	0	0	0	112.6	S814	S814-L816 VanDerWaalsContact C-N 3.3Å; S814-L816 PolarHBondContact O-N 2.99Å
817	H	31.1	Very low	34.6	Very low	182 Å²	182	155.6 Å²	155.6	84%	0.843	78%	0.777	S	S	*	*			trans	-146.3	34.7	-174.6	-125.6	-52.1	0	0	0	117.5
818	I	30.5	Very low	34.1	Very low	163 Å²	163	151.6 Å²	151.6	84%	0.836	77%	0.772	S	S	*	*			trans	-122	143.6	177.1	-62.9	-178.9	0	0	0	111.8
819	S	29	Very low	33.4	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	78%	0.783	S	S	*	*			trans	63.7	76.3	170.3	-64.7	0	0	0	0	119.8
820	R	27.2	Very low	33	Very low	256 Å²	256	150.6 Å²	150.6	97%	0.966	79%	0.785	S	S	*	*			trans	-142.9	83.6	142.8	-80.9	-158.9	174.6	178.9	-1.5	113.2
821	K	31.1	Very low	32.5	Very low	205 Å²	205	148.2 Å²	148.2	89%	0.891	78%	0.782	S	S	*	*			trans	-152.5	145.1	155.1	-67	-174.8	179	-179	0	105
822	S	32.2	Very low	32.3	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	77%	0.774	S	S	*	*			cis	-137.7	178.7	-12.9	33.4	0	0	0	0	105.4
823	E	32.5	Very low	32.3	Very low	188 Å²	188	144 Å²	144	88%	0.879	79%	0.786	S	S	*	*			cis	-158.5	-163.1	43.5	-71.2	175.1	151.7	0	0	109.2
824	A	31.6	Very low	31.8	Very low	78 Å²	78	143.1 Å²	143.1	65%	0.645	78%	0.782	S	S	*	*			trans	-146.2	154.1	-170.9	0	0	0	0	0	115.1
825	H	31.7	Very low	31.3	Very low	194 Å²	194	146.1 Å²	146.1	90%	0.898	79%	0.791	S	S	*	*			trans	66	129.9	175.7	-52.2	-79.9	0	0	0	114.5
826	S	31.2	Very low	31.1	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	80%	0.795	S	S	*	*			cis	-146.8	176.9	48.6	58.8	0	0	0	0	115.9
827	T	31.7	Very low	30.9	Very low	120 Å²	120	148.2 Å²	148.2	74%	0.736	80%	0.798	S	S	*	*			trans	-79.9	174.8	165.7	44.8	0	0	0	0	110.8
828	I	32.1	Very low	30.8	Very low	155 Å²	155	144.2 Å²	144.2	80%	0.795	79%	0.791	S	S	*	*			cis	-141.1	-154.3	29.4	-28.9	178.1	0	0	0	111.1
829	P	33.1	Very low	30.7	Very low	99 Å²	99	146.8 Å²	146.8	64%	0.643	79%	0.791	S	S	*	*				-118	-179.4	-120.5	44.4	-28	0	0	0	117.6
830	D	31.4	Very low	30.5	Very low	149 Å²	149	148.6 Å²	148.6	80%	0.797	78%	0.781	S	S	*	*			trans	34.3	123	146.4	-53.7	-25.1	0	0	0	121
831	D	30.7	Very low	30.5	Very low	150 Å²	150	147.5 Å²	147.5	80%	0.802	78%	0.777	S	S	*	*				-167.3	167.3	102.2	-131.3	-34	0	0	0	115
832	T	32.9	Very low	30.4	Very low	119 Å²	119	149.4 Å²	149.4	73%	0.73	78%	0.781	S	S	*	*			trans	74.8	91.4	162.3	56.6	0	0	0	0	123.5
833	V	30.9	Very low	30.2	Very low	132 Å²	132	148.9 Å²	148.9	80%	0.8	78%	0.777	S	S	*	*				66.4	96.7	111.9	177.2	0	0	0	0	121.2
834	S	29.8	Very low	30	Very low	98 Å²	98	146.4 Å²	146.4	69%	0.685	76%	0.76	S	S	*	*				106.6	137.7	119.5	79.2	0	0	0	0	124.5
835	L	27.7	Very low	29.9	Very low	147 Å²	147	150.3 Å²	150.3	77%	0.77	77%	0.77	S	S	*	*			trans	56.3	97.5	141.2	-67.9	165.8	0	0	0	120.8
836	N	31.5	Very low	29.9	Very low	160 Å²	160	146.4 Å²	146.4	86%	0.856	75%	0.752	S	S	*	*				-170.1	119.7	93.8	-99.8	-64.9	0	0	0	112.4
837	E	28.4	Very low	29.8	Very low	187 Å²	187	146.1 Å²	146.1	87%	0.874	75%	0.751	S	S	*	*			trans	-93.1	142.9	173.3	-67.6	-178.8	94.8	0	0	111.7
838	S	30.1	Very low	29.8	Very low	99 Å²	99	148.4 Å²	148.4	69%	0.692	76%	0.758	S	S	*	*				162.6	162.1	107.6	58.9	0	0	0	0	114.5
839	Y	27	Very low	29.8	Very low	216 Å²	216	148.2 Å²	148.2	85%	0.847	76%	0.759	S	S	*	*			trans	56.7	71.7	165.1	-68.6	-71.5	0	0	0	120.3
840	R	25.9	Very low	29.5	Very low	147 Å²	147	154.8 Å²	154.8	56%	0.555	77%	0.771	S	S	*	*			trans	-139.5	109.7	141.3	-94.2	-178.1	161.3	-130.4	-8	111.5	T14	T14-R840 VanDerWaalsContact O-CZ 3.22Å; T14-R840 PolarHBondContact O-NE 2.96Å; T14-R840 PolarHBondContact O-NH2 2.91Å
841	R	27.7	Very low	29.4	Very low	234 Å²	234	155.9 Å²	155.9	88%	0.883	78%	0.776	S	S	*	*			trans	-167.7	121.7	156.6	-120.8	175.6	-100.4	-172.1	-4.4	111.2
842	Y	28.1	Very low	29.2	Very low	245 Å²	245	154.1 Å²	154.1	96%	0.961	78%	0.775	S	S	*	*			trans	179.6	72.6	136	-96.9	-60.9	0	0	0	109.3
843	S	28.7	Very low	29	Very low	93 Å²	93	156.6 Å²	156.6	65%	0.65	78%	0.779	S	S	*	*			trans	-120.4	145.9	149.1	-176.7	0	0	0	0	106
844	Y	27.6	Very low	28.8	Very low	136 Å²	136	158.2 Å²	158.2	53%	0.533	78%	0.782	S	S	.	*			trans	-59.4	139.6	157.7	-104.1	-108.5	0	0	0	108.4	N788	N788-Y844 WeakPolarHBondContact CB-OH 3.32Å; N788-Y844 PolarHBondContact OD1-OH 3.3Å
845	D	30.3	Very low	28.7	Very low	160 Å²	160	164 Å²	164	86%	0.856	80%	0.795	S	S	*	*			trans	-142	152.1	144.7	-154.5	-8.3	0	0	0	108.1
846	Q	30.8	Very low	28.7	Very low	112 Å²	112	164.1 Å²	164.1	52%	0.523	79%	0.791	S	S	.	*			trans	-100.5	163.4	-179.5	-77.1	-170.4	-34.1	0	0	111.3
847	S	29.6	Very low	28.5	Very low	111 Å²	111	166.7 Å²	166.7	78%	0.776	79%	0.789	S	S	*	*			trans	60.8	102.2	173.1	62.8	0	0	0	0	116.8
848	N	31.5	Very low	28.6	Very low	167 Å²	167	163.3 Å²	163.3	89%	0.893	79%	0.786	S	S	*	*				-147.7	130	113.7	-107.5	-51.2	0	0	0	111.3
849	N	31.3	Very low	28.8	Very low	152 Å²	152	165.3 Å²	165.3	81%	0.813	79%	0.794	S	S	*	*			trans	-80.6	117.1	173.6	-77.1	-35.9	0	0	0	109.3
850	R	28.8	Very low	29	Very low	237 Å²	237	160.5 Å²	160.5	89%	0.894	79%	0.787	S	S	*	*			trans	166.5	85.8	143.1	-95.3	167.5	171.9	-161.4	-3.4	111.3
851	L	28.3	Very low	29.2	Very low	172 Å²	172	158.6 Å²	158.6	90%	0.901	80%	0.795	S	S	*	*			trans	-172.5	54.4	135.9	-102.7	164.9	0	0	0	110.1
852	S	27.1	Very low	29.4	Very low	112 Å²	112	153.2 Å²	153.2	78%	0.783	79%	0.789	S	S	*	*			trans	-112.4	67.7	167	57.6	0	0	0	0	108.7
853	Q	27.3	Very low	29.6	Very low	172 Å²	172	146.5 Å²	146.5	80%	0.804	78%	0.778	S	S	*	*			trans	-136.1	154.5	166.3	-72.5	-172.7	-25.2	0	0	107
854	L	27.1	Very low	29.8	Very low	165 Å²	165	149.8 Å²	149.8	86%	0.864	79%	0.788	S	S	*	*	S	Bend	trans	73.3	43.9	-169.4	-49.7	179.8	0	0	0	116
855	F	28.4	Very low	30.3	Very low	220 Å²	220	147.9 Å²	147.9	97%	0.965	79%	0.792	S	S	*	*	S	Bend		-153.9	95.5	123.1	-113.1	-74.1	0	0	0	109.3
856	E	26.8	Very low	30.4	Very low	149 Å²	149	149.6 Å²	149.6	70%	0.696	79%	0.792	S	S	*	*			trans	-145.4	153.3	-178.2	-161.2	-167	-99.3	0	0	109.2
857	R	27.9	Very low	30.6	Very low	214 Å²	214	149.9 Å²	149.9	81%	0.808	81%	0.806	S	S	*	*			trans	80.9	91.5	165.7	-50.3	-176	-176.7	-161.7	-6	119.7
858	S	29.4	Very low	30.7	Very low	117 Å²	117	154.2 Å²	154.2	82%	0.818	81%	0.806	S	S	*	*				-179.8	150.6	124.4	36.5	0	0	0	0	107.5
859	V	34.4	Very low	30.7	Very low	140 Å²	140	155.3 Å²	155.3	85%	0.848	80%	0.797	S	S	*	*			cis	-121.9	172.5	16.8	176.5	0	0	0	0	110.8
860	T	32.2	Very low	30.7	Very low	115 Å²	115	155.1 Å²	155.1	71%	0.706	79%	0.791	S	S	*	*			trans	-123.2	172.7	-161.9	52.3	0	0	0	0	115.1
861	C	29.6	Very low	30.7	Very low	107 Å²	107	151.5 Å²	151.5	72%	0.723	79%	0.787	S	S	*	*			trans	77.4	148.4	158.5	-58.4	0	0	0	0	117.5
862	T	31.7	Very low	30.9	Very low	122 Å²	122	148.2 Å²	148.2	75%	0.748	78%	0.778	S	S	*	*			cis	-159.9	149.7	-11	11.7	0	0	0	0	111.9
863	S	31.9	Very low	31.2	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	77%	0.773	S	S	*	*			trans	19.2	129.7	151.8	61.1	0	0	0	0	122.6
864	N	34.1	Very low	31.7	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	77%	0.771	S	S	*	*				-161.9	139.8	110	-141.5	-5.9	0	0	0	112.8
865	P	38.4	Very low	32.1	Very low	97 Å²	97	142.7 Å²	142.7	63%	0.63	77%	0.767	S	S	*	*			trans	-123.1	169.3	178	40.6	-29.7	0	0	0	116.1
866	K	32.4	Very low	32.3	Very low	195 Å²	195	137 Å²	137	85%	0.848	75%	0.754	S	S	*	*			trans	99.3	149.5	161.2	-59.1	176.3	178.6	175.4	0	118.8
867	S	34.6	Very low	32.7	Very low	118 Å²	118	135 Å²	135	83%	0.825	76%	0.756	S	S	*	*			trans	88.3	142.9	162.3	78.3	0	0	0	0	118.8
868	R	32	Very low	32.9	Very low	202 Å²	202	132.3 Å²	132.3	76%	0.762	75%	0.753	S	S	*	*			cis	-165.4	112.4	-27.8	-176.2	-178	-167.7	-171	3.8	111.8
869	R	30.9	Very low	33.3	Very low	191 Å²	191	133.8 Å²	133.8	72%	0.721	75%	0.747	S	S	*	*			trans	57.8	171	151.8	-66.2	-171.5	176.2	-177	-8.1	120.6
870	E	32	Very low	33.3	Very low	147 Å²	147	133.3 Å²	133.3	69%	0.687	74%	0.739	S	S	*	*			trans	72.9	142.1	150.6	-78	141.1	-129	0	0	117.6
871	M	29.2	Very low	33.4	Very low	162 Å²	162	132.9 Å²	132.9	80%	0.798	74%	0.741	S	S	*	*			cis	-169.9	169.8	-27.1	-118.5	-104	-75.1	0	0	108.7
872	S	32.5	Very low	33.5	Very low	103 Å²	103	136 Å²	136	72%	0.72	75%	0.745	S	S	*	*			trans	60.8	158.8	167.5	34.1	0	0	0	0	118.3
873	S	33.3	Very low	33.7	Very low	95 Å²	95	135.2 Å²	135.2	66%	0.664	75%	0.745	S	S	*	*			cis	-170.9	-163.3	-37.6	52.3	0	0	0	0	107.8
874	D	36.6	Very low	33.9	Very low	146 Å²	146	137.4 Å²	137.4	78%	0.781	74%	0.743	S	S	*	*			trans	82.7	114.5	162.4	-56.7	6.4	0	0	0	115.2
875	A	36.2	Very low	33.9	Very low	92 Å²	92	140.4 Å²	140.4	76%	0.76	74%	0.744	S	S	*	*				92.6	141.9	52	0	0	0	0	0	111.6
876	S	31.7	Very low	33.7	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	75%	0.748	S	S	*	*			cis	-167.7	-169.7	-10.1	53.3	0	0	0	0	109.8
877	S	36.2	Very low	33.5	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	74%	0.742	S	S	*	*			trans	75.4	156.2	160.5	80.9	0	0	0	0	118.5
878	Q	32.2	Very low	33.5	Very low	159 Å²	159	142.5 Å²	142.5	74%	0.743	74%	0.744	S	S	*	*			cis	-167.3	175.4	-48.9	-128.6	170.9	-23.9	0	0	109.9
879	H	38.2	Very low	33.5	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.685	75%	0.746	S	S	*	*			trans	70.1	151.1	165.3	-62.6	-60.1	0	0	0	118.6
880	N	33	Very low	33.3	Very low	130 Å²	130	143 Å²	143	70%	0.695	76%	0.755	S	S	*	*			cis	-169.9	168	-36.9	-113.8	9.8	0	0	0	109.4
881	S	35.1	Very low	33.3	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	76%	0.762	S	S	*	*			trans	62.4	146.1	150.8	52.1	0	0	0	0	120.8
882	E	32.2	Very low	33.2	Very low	172 Å²	172	143 Å²	143	80%	0.804	75%	0.754	S	S	*	*			cis	-169.1	173.8	-30.3	-137.5	164.6	-150.3	0	0	111
883	S	35	Very low	33	Very low	106 Å²	106	147 Å²	147	74%	0.741	76%	0.758	S	S	*	*			trans	69.7	156.2	161.8	81.4	0	0	0	0	118.7
884	H	36	Very low	32.7	Very low	149 Å²	149	149.5 Å²	149.5	69%	0.69	76%	0.764	S	S	*	*			cis	-165.4	140.6	-48.8	-111.5	-51.6	0	0	0	108.5
885	Y	34.7	Very low	32.3	Very low	224 Å²	224	148.6 Å²	148.6	88%	0.878	76%	0.759	S	S	*	*				-177.7	140.4	119.9	-108.8	-77.8	0	0	0	112.8
886	N	33.4	Very low	31.9	Very low	134 Å²	134	151.9 Å²	151.9	72%	0.717	76%	0.764	S	S	*	*			trans	-69.6	155.8	-152	-76.2	-52.6	0	0	0	120.2
887	T	29.1	Very low	31.8	Very low	118 Å²	118	150.6 Å²	150.6	72%	0.724	77%	0.766	S	S	*	*			trans	-87	163.4	159.1	50.1	0	0	0	0	113.1
888	K	34.6	Very low	31.5	Very low	202 Å²	202	154.6 Å²	154.6	88%	0.878	77%	0.773	S	S	*	*			trans	-166	107.8	145.3	-101.9	166.3	-174.3	-178.9	0	106.5
889	Q	30.6	Very low	31.5	Very low	169 Å²	169	151.8 Å²	151.8	79%	0.79	77%	0.771	S	S	*	*				55.9	120.3	74.9	-70.7	-160.6	7.3	0	0	115.6
890	Y	28.5	Very low	31.1	Very low	236 Å²	236	151.4 Å²	151.4	93%	0.925	77%	0.774	S	S	*	*				-154.8	168.3	118.9	-121.6	-87.6	0	0	0	110.6
891	R	30.1	Very low	31.3	Very low	219 Å²	219	151.9 Å²	151.9	83%	0.826	78%	0.781	S	S	*	*			trans	-135.7	156.6	-172.2	-72.6	178	165	172.5	-4.6	113.7
892	S	28.1	Very low	31.2	Very low	90 Å²	90	152.6 Å²	152.6	63%	0.629	78%	0.777	S	S	*	*			trans	69.6	171.5	137.1	58.6	0	0	0	0	121.5
893	F	28.8	Very low	31.4	Very low	185 Å²	185	149.4 Å²	149.4	81%	0.811	77%	0.773	S	S	*	*			trans	77.5	117.6	-176.4	-51.9	-74.2	0	0	0	114
894	L	26.3	Very low	31.4	Very low	148 Å²	148	150.2 Å²	150.2	78%	0.775	77%	0.769	S	S	*	*			cis	76.7	121.2	30.4	-71.3	172.1	0	0	0	117
895	N	28.3	Very low	31.4	Very low	128 Å²	128	149.5 Å²	149.5	68%	0.684	77%	0.771	S	S	*	*			trans	67.8	126.9	152.6	-66.9	1.4	0	0	0	121.3
896	N	28.3	Very low	31.4	Very low	161 Å²	161	144.9 Å²	144.9	86%	0.861	76%	0.761	S	S	*	*			trans	63.8	141.1	140.3	-58.8	-6.1	0	0	0	120.4
897	G	28.8	Very low	31.4	Very low	73 Å²	73	143.8 Å²	143.8	75%	0.753	76%	0.759	S	S	*	*			trans	148.9	102.7	161.1	0	0	0	0	0	113.8
898	H	29.7	Very low	31.6	Very low	190 Å²	190	144.3 Å²	144.3	88%	0.88	76%	0.757	S	S	*	*			trans	-63.5	159	157.9	-59.9	7.6	0	0	0	108.3
899	S	31.8	Very low	31.5	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	74%	0.74	S	S	*	*				-175.1	162	52.2	46.7	0	0	0	0	114.4
900	N	30	Very low	31.7	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	74%	0.737	S	S	*	*			trans	28.6	129.2	143.9	-49.9	-4.8	0	0	0	121.1
901	V	37.2	Very low	31.9	Very low	139 Å²	139	134.6 Å²	134.6	84%	0.842	72%	0.722	S	S	*	*				-138.3	144.4	108.4	179.8	0	0	0	0	109.8
902	N	34.3	Very low	32.4	Very low	122 Å²	122	132.1 Å²	132.1	65%	0.652	72%	0.72	S	S	*	*			trans	-47.4	172.4	173	-41.7	-29.9	0	0	0	114
903	S	36.4	Very low	32.5	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	72%	0.717	S	S	*	*			cis	-166.7	172.6	23.4	-12.9	0	0	0	0	109.4
904	N	34.5	Very low	32.8	Very low	123 Å²	123	129.3 Å²	129.3	66%	0.658	72%	0.717	S	S	*	*			cis	-172.9	153.7	-24.8	-104.8	13.5	0	0	0	108
905	N	35.7	Very low	33	Very low	134 Å²	134	127 Å²	127	72%	0.717	71%	0.713	S	S	*	*			trans	65.9	156.5	158.2	-58.3	1.1	0	0	0	117
906	N	34.4	Very low	33.5	Very low	127 Å²	127	126.3 Å²	126.3	68%	0.679	72%	0.716	S	S	*	*			cis	-154	136.2	-14	-116.4	7.3	0	0	0	111.3
907	V	33.3	Very low	33.7	Very low	110 Å²	110	126.6 Å²	126.6	67%	0.667	71%	0.712	S	S	*	*				55.9	119	116.1	176.8	0	0	0	0	120
908	D	33.3	Very low	33.9	Very low	130 Å²	130	129 Å²	129	70%	0.695	71%	0.707	S	S	*	*			trans	101.9	139.5	135.8	-98.1	17.9	0	0	0	125.6
909	N	34	Very low	34.2	Very low	96 Å²	96	125.4 Å²	125.4	51%	0.513	70%	0.695	S	S	.	*			trans	85.7	101.9	136	-76.4	-42.2	0	0	0	123
910	R	34.5	Very low	34.2	Very low	190 Å²	190	126.2 Å²	126.2	72%	0.717	69%	0.691	S	S	*	*				109.1	113.5	114.7	-74.8	168.3	-155.8	-176.6	12.1	119.9
911	N	33.2	Very low	34.8	Very low	117 Å²	117	126.8 Å²	126.8	63%	0.626	69%	0.689	S	S	*	*				46.8	118.3	119.7	-46.2	-2.1	0	0	0	118.7
912	H	39.5	Very low	34.6	Very low	166 Å²	166	125.3 Å²	125.3	77%	0.769	68%	0.677	S	S	*	*				169.7	155.5	91	-88.1	-71.3	0	0	0	109.3
913	S	30.5	Very low	34.6	Very low	81 Å²	81	128.4 Å²	128.4	57%	0.566	68%	0.679	S	S	*	*			cis	165.7	154	-39.5	54.5	0	0	0	0	107.5
914	V	33.8	Very low	34.5	Very low	136 Å²	136	133 Å²	133	82%	0.824	68%	0.68	S	S	*	*			trans	69.8	142.2	162.9	171.4	0	0	0	0	115.2
915	S	30.9	Very low	34.3	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	69%	0.685	S	S	*	*			cis	-162.9	169.2	-21.3	-96.3	0	0	0	0	109.9
916	P	39.6	Very low	34.3	Very low	115 Å²	115	137.2 Å²	137.2	75%	0.747	69%	0.694	S	S	*	*			trans	-96.6	-174	178.8	38.4	-34.7	0	0	0	114.3
917	Q	32.1	Very low	34.1	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	70%	0.697	S	S	*	*			trans	105.7	146	161.9	-65.8	-166.8	-111.7	0	0	119.3
918	D	33.2	Very low	34	Very low	123 Å²	123	142.2 Å²	142.2	66%	0.658	70%	0.701	S	S	*	*			trans	67	148.2	153.6	-72.5	25.2	0	0	0	119
919	N	35.6	Very low	33.9	Very low	115 Å²	115	143.3 Å²	143.3	62%	0.615	70%	0.702	S	S	*	*			cis	-151.3	156.2	0.7	-130.4	-41.2	0	0	0	113.7
920	N	33.3	Very low	33.8	Very low	117 Å²	117	148.1 Å²	148.1	63%	0.626	71%	0.714	S	S	*	*			trans	28.6	126.4	143.5	-95	-66.5	0	0	0	120.5
921	H	40.6	Very low	33.6	Very low	152 Å²	152	143.9 Å²	143.9	70%	0.704	71%	0.714	S	S	*	*				-178.3	148.5	72	-108.2	-8.4	0	0	0	115.7
922	N	33.6	Very low	33.4	Very low	108 Å²	108	148.6 Å²	148.6	58%	0.578	72%	0.723	S	S	*	*			trans	34.4	142.2	130.9	-72	-59.8	0	0	0	121.6
923	R	34.9	Very low	33	Very low	186 Å²	186	150.6 Å²	150.6	70%	0.702	72%	0.724	S	S	*	*			cis	-167	146	22.8	-126.7	160.3	-161.3	-168.3	5.8	113.6
924	R	33.2	Very low	33	Very low	201 Å²	201	156.5 Å²	156.5	76%	0.758	74%	0.739	S	S	*	*			trans	36.3	123.8	144.6	-62.1	169.7	-174.7	176.6	-1.7	119.4
925	S	31.4	Very low	33	Very low	108 Å²	108	153.2 Å²	153.2	76%	0.755	73%	0.733	S	S	*	*			cis	72.6	100.4	46.3	-50	0	0	0	0	117
926	R	35	Very low	33.1	Very low	239 Å²	239	156.1 Å²	156.1	90%	0.902	74%	0.739	S	S	*	*				170.4	131.3	128	-89.7	155.6	-177.8	-172.4	0.1	109.1
927	N	30.6	Very low	32.8	Very low	140 Å²	140	157.3 Å²	157.3	75%	0.749	74%	0.739	S	S	*	*			cis	95.2	140.2	42.9	-167.9	10.6	0	0	0	112.5
928	R	31.3	Very low	32.9	Very low	201 Å²	201	154.2 Å²	154.2	76%	0.758	73%	0.732	S	S	*	*			trans	90.3	108.1	167.4	-63.8	-178.7	170.7	172	-2.8	121.7
929	H	31.6	Very low	33	Very low	153 Å²	153	156.7 Å²	156.7	71%	0.708	74%	0.739	S	S	*	*				97.2	149.9	112.2	-81.3	-43.7	0	0	0	125.4
930	Y	31.8	Very low	32.9	Very low	198 Å²	198	154.9 Å²	154.9	78%	0.776	74%	0.736	S	S	*	*			trans	67.5	89.1	148.5	-84.9	-70.4	0	0	0	122.4
931	S	29.4	Very low	33.1	Very low	101 Å²	101	155.8 Å²	155.8	71%	0.706	74%	0.74	S	S	*	*				29	140.2	118	-42.8	0	0	0	0	123.4
932	R	29.8	Very low	32.9	Very low	216 Å²	216	155.6 Å²	155.6	82%	0.815	74%	0.739	S	S	*	*			trans	108.1	108.7	145.3	-71	-178	165.7	-179.8	-2	120
933	R	30	Very low	33.1	Very low	208 Å²	208	156.6 Å²	156.6	79%	0.785	74%	0.743	S	S	*	*				75.9	135.8	122.1	-75.1	-177.3	165.4	-174.1	-5.2	122.8
934	K	32	Very low	33.1	Very low	204 Å²	204	154.7 Å²	154.7	89%	0.887	74%	0.743	S	S	*	*			trans	87.2	150.3	145.2	-78.9	-176.5	168.3	-162.3	0	119.7
935	G	32.9	Very low	33.2	Very low	68 Å²	68	152.3 Å²	152.3	70%	0.701	74%	0.74	S	S	*	*			trans	89.9	117.4	-174.7	0	0	0	0	0	111.5
936	I	32.4	Very low	33.5	Very low	158 Å²	158	156.2 Å²	156.2	81%	0.81	75%	0.746	S	S	*	*			cis	76.1	133	12.5	-57.3	178.8	0	0	0	115.2
937	N	34.6	Very low	33.4	Very low	140 Å²	140	153.2 Å²	153.2	75%	0.749	74%	0.742	S	S	*	*			trans	75.6	147.3	179.3	-73.5	11.7	0	0	0	117.1
938	T	32.9	Very low	33.9	Very low	102 Å²	102	152.9 Å²	152.9	63%	0.626	74%	0.741	S	S	*	*			cis	-179	167.7	-36.4	25	0	0	0	0	108.4
939	H	36.5	Very low	33.9	Very low	176 Å²	176	149.6 Å²	149.6	82%	0.815	74%	0.738	S	S	*	*			trans	69	158.3	171	-71.3	-65.7	0	0	0	116.5
940	S	33.2	Very low	34	Very low	77 Å²	77	153 Å²	153	54%	0.538	75%	0.745	S	S	.	*			cis	170.1	146.9	-25.5	-93	0	0	0	0	107.1
941	D	36.6	Very low	33.9	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	74%	0.744	S	S	*	*			cis	-130.8	-93.2	-19.9	-71.7	-42.5	0	0	0	110.3
942	H	37	Very low	34.3	Very low	148 Å²	148	152.6 Å²	152.6	69%	0.685	75%	0.751	S	S	*	*			cis	-168	138.4	-13.6	-153.8	56.3	0	0	0	110.1
943	I	37.7	Very low	34.4	Very low	129 Å²	129	147.2 Å²	147.2	66%	0.662	75%	0.746	S	S	*	*			trans	67.7	141.8	162.5	-69.3	174.7	0	0	0	116.7
944	Q	35.3	Very low	34.8	Very low	147 Å²	147	144.7 Å²	144.7	69%	0.687	75%	0.748	S	S	*	*			cis	-143.6	172	13.5	-152.3	141.7	-5.7	0	0	114.9
945	E	35.5	Very low	34.8	Very low	151 Å²	151	140 Å²	140	71%	0.706	74%	0.741	S	S	*	*			trans	-29.4	166.9	168.1	-64.8	117	-139.5	0	0	119.5
946	E	36.5	Very low	35	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	75%	0.749	S	S	*	*			cis	-141.9	169.3	31.6	-69.6	179	128.3	0	0	115.4
947	E	34.4	Very low	34.8	Very low	175 Å²	175	146 Å²	146	82%	0.818	75%	0.753	S	S	*	*			trans	-107.2	159.4	170.7	-57.1	-175.1	116.9	0	0	111.7
948	D	39.8	Very low	34.8	Very low	133 Å²	133	145.4 Å²	145.4	71%	0.711	75%	0.754	S	S	*	*			trans	-150.4	140.1	137.9	-155.2	-7.3	0	0	0	111.3
949	N	31	Very low	34.9	Very low	132 Å²	132	147.4 Å²	147.4	71%	0.706	76%	0.76	S	S	*	*			trans	-127.1	118	-176.4	-91.4	-69.2	0	0	0	109.7
950	R	34.5	Very low	34.9	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.849	76%	0.755	S	S	*	*			trans	-136.3	111.2	166.5	-65.7	-167.8	-170.8	-154.5	0.1	113.3
951	S	30.3	Very low	35	Very low	110 Å²	110	150.2 Å²	150.2	77%	0.769	77%	0.768	S	S	*	*			trans	-76.1	142.7	160.2	54.3	0	0	0	0	110.8
952	H	37.9	Very low	34.9	Very low	180 Å²	180	151 Å²	151	83%	0.833	77%	0.768	S	S	*	*			trans	-146.9	128.1	147.6	-110	-82.3	0	0	0	110.3
953	S	31.5	Very low	35.1	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	77%	0.77	S	S	*	*			trans	-83.9	142.4	159.8	55	0	0	0	0	108.8
954	D	38.1	Very low	35	Very low	155 Å²	155	151.4 Å²	151.4	83%	0.829	77%	0.771	S	S	*	*			trans	-149.8	155.4	152.5	-115.1	-40.8	0	0	0	111.4
955	S	31.8	Very low	34.9	Very low	104 Å²	104	148.7 Å²	148.7	73%	0.727	77%	0.768	S	S	*	*			trans	-124	140.6	-175.7	-59.2	0	0	0	0	110.2
956	N	36.6	Very low	34.9	Very low	165 Å²	165	147.3 Å²	147.3	88%	0.882	77%	0.77	S	S	*	*			trans	-154.7	141.3	161.2	-97.9	-52.7	0	0	0	112.4
957	Q	28.6	Very low	34.9	Very low	189 Å²	189	144.4 Å²	144.4	88%	0.883	77%	0.765	S	S	*	*			trans	-105.2	140.7	174.7	-62.3	172.4	-29.9	0	0	109.6
958	V	35.2	Very low	34.7	Very low	127 Å²	127	143.4 Å²	143.4	77%	0.77	77%	0.765	S	S	*	*			trans	-145.9	103.8	166	178.3	0	0	0	0	110.8
959	L	34.4	Very low	34.6	Very low	143 Å²	143	146 Å²	146	75%	0.749	77%	0.773	S	S	*	*			trans	60.8	124.2	142.9	-48.1	178	0	0	0	120.8
960	L	36	Very low	34.8	Very low	136 Å²	136	148.2 Å²	148.2	71%	0.712	78%	0.779	S	S	*	*				72.9	148	94.2	-57.9	-179.2	0	0	0	114.1
961	E	35.3	Very low	34.7	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	78%	0.775	S	S	*	*			cis	-136.7	135.5	14.7	-62.2	167.4	155.8	0	0	108.5
962	E	35.7	Very low	35.1	Very low	151 Å²	151	143.5 Å²	143.5	71%	0.706	77%	0.773	S	S	*	*				85	149	75.7	-64.1	-155.9	124.2	0	0	118
963	H	40.1	Very low	34.7	Very low	158 Å²	158	139.7 Å²	139.7	73%	0.731	77%	0.767	S	S	*	*			trans	72.2	140.6	167.3	-60.9	-63.6	0	0	0	121.3
964	D	35.6	Very low	34.9	Very low	128 Å²	128	141.5 Å²	141.5	68%	0.684	77%	0.773	S	S	*	*			cis	-163	161.9	-20.5	-134.2	-31.2	0	0	0	117.2
965	C	34.2	Very low	34.4	Very low	91 Å²	91	139.5 Å²	139.5	62%	0.615	77%	0.771	S	S	*	*			trans	46.1	129.2	145.5	-85.5	0	0	0	0	127.5
966	T	35.6	Very low	34.6	Very low	122 Å²	122	142.7 Å²	142.7	75%	0.748	78%	0.778	S	S	*	*			trans	72.7	152.2	134.7	59.7	0	0	0	0	121.3
967	T	35.9	Very low	34.3	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	77%	0.768	S	S	*	*			cis	-147.6	172.5	5.8	-11.9	0	0	0	0	113.1
968	N	31.7	Very low	34.3	Very low	154 Å²	154	135 Å²	135	82%	0.824	76%	0.758	S	S	*	*			trans	-86	158.3	-174.2	-47	-59.6	0	0	0	116.2
969	E	37.2	Very low	34.2	Very low	186 Å²	186	137.2 Å²	137.2	87%	0.869	76%	0.764	S	S	*	*			trans	-176.1	146	141.6	-105	-179.9	-146	0	0	108
970	E	35.6	Very low	34.2	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	77%	0.767	S	S	*	*			cis	-156.8	-177.6	-32.5	-133.1	-172.3	-165.1	0	0	109.4
971	T	32	Very low	34	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	78%	0.776	S	S	*	*			trans	-139.5	171.2	-172	86	0	0	0	0	111.5
972	P	37.1	Very low	33.6	Very low	112 Å²	112	139.5 Å²	139.5	73%	0.727	78%	0.776	S	S	*	*			cis	-125.2	-177.4	40.5	16.8	10.4	0	0	0	113.4
973	S	31.5	Very low	33.5	Very low	101 Å²	101	138 Å²	138	71%	0.706	78%	0.782	S	S	*	*			cis	87.2	118.2	21.6	122.5	0	0	0	0	117.5
974	V	34	Very low	33	Very low	141 Å²	141	139 Å²	139	86%	0.855	78%	0.784	S	S	*	*			trans	-143.7	128.7	155.9	178.7	0	0	0	0	108.7
975	S	27.3	Very low	32.9	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	79%	0.788	S	S	*	*			trans	-128.8	138.2	178.8	-60.2	0	0	0	0	109.8
976	I	36.2	Very low	32.9	Very low	171 Å²	171	145 Å²	145	88%	0.877	80%	0.799	S	S	*	*			trans	-130.5	139	162.4	-63.2	-176	0	0	0	108.1
977	S	31.3	Very low	32.8	Very low	96 Å²	96	146 Å²	146	67%	0.671	80%	0.8	S	S	*	*			trans	-114.7	175.1	-158.4	58.2	0	0	0	0	114
978	S	29.3	Very low	32.8	Very low	97 Å²	97	147.9 Å²	147.9	68%	0.678	81%	0.805	S	S	*	*			trans	56.5	118.9	141.5	59.3	0	0	0	0	120
979	I	33	Very low	32.8	Very low	173 Å²	173	147.8 Å²	147.8	89%	0.887	80%	0.799	S	S	*	*				-149.3	132.7	118.3	-100.4	151.2	0	0	0	108
980	H	32.7	Very low	32.6	Very low	175 Å²	175	146.4 Å²	146.4	81%	0.81	80%	0.797	S	S	*	*			trans	-88	146.9	168	-90.1	-73.1	0	0	0	109.7
981	Q	31.9	Very low	32.2	Very low	195 Å²	195	145.3 Å²	145.3	91%	0.911	79%	0.791	S	S	*	*			trans	-158.5	152.4	131.4	-114.2	165.4	7.7	0	0	111.5
982	T	28.3	Very low	32.2	Very low	134 Å²	134	145.1 Å²	145.1	82%	0.822	79%	0.79	S	S	*	*			trans	-125.7	135.8	-177	50	0	0	0	0	109.8
983	S	32.9	Very low	31.7	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	79%	0.786	S	S	*	*			trans	-136.2	137.1	162.7	55.6	0	0	0	0	109.4
984	K	30.4	Very low	31.8	Very low	180 Å²	180	145.8 Å²	145.8	78%	0.783	79%	0.785	S	S	*	*			trans	-89.7	-167.6	167.1	-70.4	178.9	177.3	177.1	0	108.9
985	E	33.4	Very low	31.6	Very low	165 Å²	165	146.5 Å²	146.5	77%	0.771	78%	0.779	S	S	*	*			trans	68.1	144.1	174	-66.9	114.3	-121.6	0	0	114.6
986	E	34.4	Very low	31.8	Very low	179 Å²	179	148.3 Å²	148.3	84%	0.836	78%	0.78	S	S	*	*			cis	-147.9	175.2	-3.8	-133	174.9	-175.9	0	0	112
987	N	32.1	Very low	31.4	Very low	145 Å²	145	144.4 Å²	144.4	78%	0.775	76%	0.764	S	S	*	*			trans	-71.3	147.4	-178.1	-62.7	-63.8	0	0	0	112.6
988	N	35.8	Very low	31.4	Very low	167 Å²	167	149.2 Å²	149.2	89%	0.893	78%	0.776	S	S	*	*			trans	-158.9	140.1	135.1	-107.9	-53.1	0	0	0	112.2
989	H	32	Very low	31.3	Very low	152 Å²	152	153.2 Å²	153.2	70%	0.704	78%	0.784	S	S	*	*			trans	-74.6	154	174.7	-79.4	-111.1	0	0	0	111.3
990	I	32.9	Very low	31.2	Very low	158 Å²	158	150 Å²	150	81%	0.81	78%	0.777	S	S	*	*				-152.8	114	123.3	-94.2	145	0	0	0	106.5	V992	I990-V992 HydrophobicContact CG2-CG2 3.87Å
991	E	28	Very low	31	Very low	157 Å²	157	146.2 Å²	146.2	73%	0.734	77%	0.77	S	S	*	*			trans	-86.3	143.3	160.3	-72.9	-178.9	100.3	0	0	108.7
992	V	30.9	Very low	30.7	Very low	119 Å²	119	148 Å²	148	72%	0.721	77%	0.769	S	S	*	*			trans	-128.5	75.1	161.2	-174.2	0	0	0	0	108.3	I990 I994	I990-V992 HydrophobicContact CG2-CG2 3.87Å; V992-I994 HydrophobicContact CG1-CG1 4.22Å
993	S	27.7	Very low	30.6	Very low	93 Å²	93	148.2 Å²	148.2	65%	0.65	77%	0.765	S	S	*	*			trans	-73.7	119.9	157.7	52.9	0	0	0	0	108.9
994	I	32.5	Very low	30.2	Very low	134 Å²	134	147.8 Å²	147.8	69%	0.687	76%	0.761	S	S	*	*			trans	-103.3	105.3	159.9	-63.5	178.9	0	0	0	106.4	V992	V992-I994 HydrophobicContact CG1-CG1 4.22Å
995	H	30.4	Very low	30	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.718	76%	0.759	S	S	*	*			trans	-116.7	65.3	-173.9	-159.8	-65.4	0	0	0	108.5	T997	H995-T997 PolarHBondContact ND1-OG1 3.01Å; H995-T997 PolarHBondContact O-N 2.87Å; H995-T997 PolarHBondContact O-OG1 2.97Å
996	D	30.9	Very low	29.7	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	77%	0.766	S	S	*	*			trans	-64.8	102.1	-177.7	-71.6	-22.8	0	0	0	110.2
997	T	28.5	Very low	29.3	Very low	90 Å²	90	147.3 Å²	147.3	55%	0.552	77%	0.765	S	S	*	*			trans	-121.5	80.3	-171.3	-37.6	0	0	0	0	109.7	H995 Q999	H995-T997 PolarHBondContact ND1-OG1 3.01Å; H995-T997 PolarHBondContact O-N 2.87Å; H995-T997 PolarHBondContact O-OG1 2.97Å; T997-Q999 PolarHBondContact O-N 3.34Å
998	E	30.6	Very low	29.2	Very low	197 Å²	197	149.7 Å²	149.7	92%	0.921	77%	0.772	S	S	*	*			trans	-92.6	99.8	172.9	-68.9	-158.6	134.7	0	0	111.2
999	Q	27.1	Very low	28.7	Very low	180 Å²	180	147.8 Å²	147.8	84%	0.841	76%	0.762	S	S	*	*			trans	-87.3	123.7	160.1	-64.6	179.1	-11.3	0	0	109.2	T997	T997-Q999 PolarHBondContact O-N 3.34Å
1000	S	31.1	Very low	28.8	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	77%	0.768	S	S	*	*			trans	-160.6	160.3	155.6	61.1	0	0	0	0	113.4
1001	S	29	Very low	28.8	Very low	96 Å²	96	144.2 Å²	144.2	67%	0.671	76%	0.763	S	S	*	*			trans	9.4	121.2	160.4	38.1	0	0	0	0	119.5
1002	R	25.3	Very low	28.7	Very low	233 Å²	233	143.1 Å²	143.1	88%	0.879	76%	0.763	S	S	*	*				72.3	143.7	67.8	-74.7	-176.2	173.7	170.9	-1.7	115.2
1003	N	25.8	Very low	28.9	Very low	138 Å²	138	146.1 Å²	146.1	74%	0.738	77%	0.774	S	S	*	*			trans	78.1	97.3	156.3	-67.8	12.5	0	0	0	120.7
1004	S	26	Very low	29.1	Very low	108 Å²	108	148.7 Å²	148.7	76%	0.755	78%	0.78	S	S	*	*				42.7	131.7	114.8	64.6	0	0	0	0	122.1
1005	G	25.5	Very low	29.1	Very low	72 Å²	72	146 Å²	146	74%	0.742	79%	0.785	S	S	*	*			trans	92.3	152.6	168.8	0	0	0	0	0	112.5
1006	Y	26.8	Very low	29.1	Very low	234 Å²	234	146 Å²	146	92%	0.918	79%	0.791	S	S	*	*			cis	-136.9	162.1	14.3	-97.8	-103	0	0	0	112.5
1007	Y	26	Very low	29.1	Very low	208 Å²	208	144.5 Å²	144.5	82%	0.816	79%	0.792	S	S	*	*			trans	-74.1	146	156.3	-87.2	-105	0	0	0	109.4
1008	E	30.2	Very low	28.9	Very low	196 Å²	196	150 Å²	150	92%	0.916	81%	0.808	S	S	*	*			trans	-152.1	154.4	137.4	-132.3	165.8	-151.3	0	0	112.1
1009	N	26.4	Very low	28.7	Very low	127 Å²	127	147.7 Å²	147.7	68%	0.679	80%	0.801	S	S	*	*			trans	-107.6	142.5	-168	-74.3	-53.9	0	0	0	112.8
1010	A	33.9	Very low	28.7	Very low	100 Å²	100	145.2 Å²	145.2	83%	0.826	80%	0.797	S	S	*	*			trans	-139.9	81.1	154.6	0	0	0	0	0	108.1
1011	N	31.6	Very low	28.4	Very low	134 Å²	134	146.8 Å²	146.8	72%	0.717	80%	0.795	S	S	*	*				75.9	91.9	90.4	-75.3	-23.4	0	0	0	114.4
1012	N	27.1	Very low	28.5	Very low	134 Å²	134	151.9 Å²	151.9	72%	0.717	80%	0.801	S	S	*	*			trans	37.6	115.5	136.5	-60.7	-17.7	0	0	0	119.9
1013	L	35.3	Very low	28.8	Very low	182 Å²	182	146.7 Å²	146.7	95%	0.953	79%	0.791	S	S	*	*				-135.1	131	125.8	-103.1	167	0	0	0	108.5
1014	N	30.8	Very low	29.1	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	78%	0.782	S	S	*	*			trans	-86	150.4	-171.6	-72.7	-40	0	0	0	112.3
1015	G	33.6	Very low	29.4	Very low	77 Å²	77	149.1 Å²	149.1	79%	0.794	79%	0.789	S	S	*	*			trans	-174.8	56	-176.7	0	0	0	0	0	116
1016	N	30.1	Very low	29.5	Very low	155 Å²	155	153.3 Å²	153.3	83%	0.829	79%	0.787	S	S	*	*			trans	6.1	110.8	165.7	-61.4	-11.7	0	0	0	119.4
1017	S	30.4	Very low	29.4	Very low	119 Å²	119	149 Å²	149	83%	0.832	78%	0.784	S	S	*	*				177.2	129	113.3	-79.8	0	0	0	0	112.6
1018	K	24.6	Very low	29.4	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.896	78%	0.777	S	S	*	*			trans	-103.1	127.3	159.7	-73.8	179.3	179.1	175.2	0	108.1
1019	I	25.6	Very low	29.2	Very low	149 Å²	149	143.8 Å²	143.8	76%	0.764	78%	0.775	S	S	*	*			trans	-130.1	116.3	153.4	-61.9	-175.9	0	0	0	107.8	M1021	I1019-M1021 HydrophobicContact CG2-CB 4.43Å; I1019-M1021 HydrophobicContact CG2-CG 3.86Å
1020	V	27.9	Very low	29.2	Very low	127 Å²	127	143.7 Å²	143.7	77%	0.77	78%	0.778	S	S	*	*			trans	-103.7	121.6	157.6	172	0	0	0	0	105.2
1021	M	25.1	Very low	29	Very low	140 Å²	140	144.5 Å²	144.5	69%	0.69	78%	0.775	S	S	*	*			trans	-134	118.2	164	-76.9	-58.7	-65.8	0	0	109	I1019	I1019-M1021 HydrophobicContact CG2-CB 4.43Å; I1019-M1021 HydrophobicContact CG2-CG 3.86Å
1022	Y	30.6	Very low	28.9	Very low	202 Å²	202	143.6 Å²	143.6	79%	0.792	77%	0.77	S	S	*	*			trans	-69.4	167.6	147.8	-93.4	-114.1	0	0	0	108.5
1023	N	31.5	Very low	28.9	Very low	125 Å²	125	144.8 Å²	144.8	67%	0.668	78%	0.776	S	S	*	*				-171.6	115.7	127.7	-90.9	-1.5	0	0	0	108.2
1024	D	31.3	Very low	28.7	Very low	105 Å²	105	139.9 Å²	139.9	56%	0.561	75%	0.75	S	S	*	*				61.1	150.9	129.3	-66.4	-60.6	0	0	0	120.9
1025	E	32.2	Very low	28.7	Very low	191 Å²	191	137.8 Å²	137.8	89%	0.893	74%	0.743	S	S	*	*			cis	-115.6	167.1	13.7	-72.1	-173	121.2	0	0	116
1026	K	28.7	Very low	28.4	Very low	160 Å²	160	135.9 Å²	135.9	70%	0.696	72%	0.723	S	S	*	*			trans	-76.1	135.5	-169.5	-63.1	140	-171.4	159.9	0	113.1	I1028	K1026-I1028 HydrophobicContact CB-CD1 4.39Å; K1026-I1028 HydrophobicContact CB-CG1 3.85Å; K1026-I1028 PolarHBondContact O-N 3.44Å
1027	V	25.7	Very low	28.4	Very low	144 Å²	144	137 Å²	137	87%	0.873	72%	0.723	S	S	*	*			trans	-77	98.2	157.1	179	0	0	0	0	108.7
1028	I	25.9	Very low	28.4	Very low	127 Å²	127	139 Å²	139	65%	0.651	72%	0.719	S	S	*	*			trans	-92.4	129.4	172.8	-55	-176.6	0	0	0	109.6	K1026 V1030	K1026-I1028 HydrophobicContact CB-CD1 4.39Å; K1026-I1028 HydrophobicContact CB-CG1 3.85Å; K1026-I1028 PolarHBondContact O-N 3.44Å; I1028-V1030 HydrophobicContact CG2-CG2 3.88Å
1029	L	24.7	Very low	28.6	Very low	168 Å²	168	135.7 Å²	135.7	88%	0.88	71%	0.711	S	S	*	*			trans	-89.2	120.4	170.9	-73.3	164.2	0	0	0	109.6
1030	V	27.7	Very low	28.9	Very low	124 Å²	124	139.9 Å²	139.9	75%	0.752	73%	0.732	S	S	*	*			trans	-127.9	140.6	171.3	-170.6	0	0	0	0	109.3	I1028	I1028-V1030 HydrophobicContact CG2-CG2 3.88Å
1031	P	28.5	Very low	28.9	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	73%	0.731	S	S	*	*			trans	-84.6	173.1	-175.1	-6.1	25.5	0	0	0	114.3
1032	N	28.7	Very low	29.1	Very low	114 Å²	114	140.5 Å²	140.5	61%	0.61	73%	0.733	S	S	*	*			trans	-44.5	146.4	175	-57.1	5.4	0	0	0	114.8	R31	R31-N1032 PolarHBondContact NH2-ND2 2.84Å; R31-N1032 PolarHBondContact NH2-OD1 2.75Å
1033	L	29	Very low	29.1	Very low	160 Å²	160	137.1 Å²	137.1	84%	0.838	73%	0.729	S	S	*	*			trans	-151.8	170.2	132	-112.2	167.2	0	0	0	111.6	N26	N26-L1033 PolarHBondContact ND2-O 3.12Å
1034	I	29.8	Very low	28.9	Very low	79 Å²	79	137.8 Å²	137.8	41%	0.405	73%	0.733	S	S	.	*			trans	-130.9	135.5	-168.8	-80.2	172.8	0	0	0	106.7
1035	T	30.9	Very low	28.8	Very low	104 Å²	104	139.9 Å²	139.9	64%	0.638	74%	0.744	S	S	*	*				-168.4	162.9	105.3	39.8	0	0	0	0	112.2	F25 N26	F25-T1035 CarbonylContact C-O 3.27Å; F25-T1035 VanDerWaalsContact C-O 3.27Å; N26-T1035 VanDerWaalsContact CB-C 3.43Å; N26-T1035 WeakPolarHBondContact CB-O 3.09Å; N26-T1035 PolarHBondContact N-O 3.01Å
1036	G	28.6	Very low	28.5	Very low	37 Å²	37	136.5 Å²	136.5	38%	0.381	73%	0.734	S	S	.	*			trans	-58.9	-172	-179.9	0	0	0	0	0	117.4	F25	F25-G1036 CarbonylContact O-C 3.53Å; F25-G1036 VanDerWaalsContact O-C 3.28Å
1037	E	29.1	Very low	28.5	Very low	179 Å²	179	134.8 Å²	134.8	84%	0.836	74%	0.737	S	S	*	*			cis	-161	174.7	25.9	-126.3	154.8	-156	0	0	114.6
1038	H	29.4	Very low	28.7	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.745	73%	0.726	S	S	*	*			trans	-25.3	161.8	159.1	-76.2	-95.5	0	0	0	119.1
1039	D	29.3	Very low	29	Very low	135 Å²	135	134.7 Å²	134.7	72%	0.722	73%	0.732	S	S	*	*			cis	-144.2	167.2	5.4	-94.2	-39	0	0	0	108.3
1040	I	32	Very low	29.4	Very low	237 Å²	237	131.6 Å²	131.6	100%	1.215	72%	0.719	S	S	*	*				-148.7	0	58.2	-66.6	166.1	0	0	0	110.8

Retrieved 1,040 of 1,040 residues in 636.6 ms (Link to these results)

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