A0A077Z7D8_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7D8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,418 aa.

						>A0A077Z7D8_TRITR|A0A077Z7D8
MIFPLMPETGGRFAAGTKTPFILAKFSFTVFPTATTYKYFGGEVFEISSELLAVAKEEKKMLVRTISFRNGLKHSGIQVCFLLLFTCAVFFFLAATDRLGNINVYYVSRIANGSYKKAIAQLEFLRPLLPEVKVVQRQYGKEHSFKKSATGTGCVKPTQNINDSEIMPLIHSVAPLKCSDKSNWFTARNGKLIQKQEAVPRNASIQCELEPFVFSGDFAVKTLNHSEAKHNMSLPTDFFKIQCTAAGGKNYTNYHATIVAKETVNGTVDPVIGFERPLNIYILGFDSVSRMTFMRKLKETYKHITKVLNGTVLEMYNIVGDGTPAALLPILTGKTEEELPETRRSRRNASFVDVYPFIWKELKRFGYATLYAEDSQSIGTYTFRLKGFKEQPTDHYLRTFYRKVEDDTRKHDQACFGSESQHRVQLSYVEDFFTAYPRKQPKFAFQFHSIFSHSSLNEVELADGPTVEHLKFFQEKEFLNDTVFIVFSDHGARFSSVRRTKQGKLEERNPFVSIILPPWFSEKFPTAVRNVVKNGNRLTTPFDLHATLKSLLNFPPPEVGDLSNRGISLFSEIPASRDCANADIAPHWCSCLSWKKLPTDALISQFIADELVKAFNERLKKEEKLCSPLRLDSILEAYVSQPKDDFVAFVGAKDVDGREAKFGERVGVPYDSYRLTIRTNPRKALYEATVLYDVTKKVLLIDLDSVSRVNAYGSASHCIMSKDSYLAICFSSLQPLVEMSARVNMLSRLFHKLIRLSKFRICFLVWISIAIFLLPAITNRLSMADLSDAKLQSDLSYIKASIQLKLLRPFLPFVEVLQKQYGKEHLFKKSVVGAGCVRPTQNINDSEVMKLVTSVPPLKCVSESNWITARKGKIIVNENVTRNGNISCMLEPFYFFDDFTVRTLNRSAVKYNVPVPTDFFKIECTAAADSRMYTNYHATIVAKETVNGQVDPVIGFERPLNIYMLGFDSVSRMTFMRKLKETYKHITKVLNGTVLEMYNIVGDGTPAALLPILTGKTEEELPETRRSQRNASFVDVYPFIWKELKRLGYATLYAEDMQSIGTYTYRFKGFKEQPTDHYLRSFYQKAERDTRVFQQTCFGSESQLRVQLSYVEDFFETYPREQPKFAFQFHSMYSHNDFNMVELADGPTVDHLKFFNEKGFLNDTVFIAFSDHGARFSSVRRTKQGKLEERNPFVSIILPPWFKRKFPTAVRNLMKNGNRLTTPFDLHATLKSLLNFPPPEVGDLSNRGISLFSEIPASRDCANADIAPHWCSCLSWKKLPTDALISQFIADELVKAFNGRLKKEEKLCSPLRLDSILEAYVSQPKDDFVAFVGAKDVDGREAKFGKRVGVPYDSYRLTIRTNPRKALYEATVLYDVTKKVLLIDLDSVSRVNAYGSASHCIMSKDSYLAIWCVCYDRL
					

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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	40.1	Very low	25.5	Very low	231 Å²	231	138.2 Å²	138.2	100%	1.138	79%	0.79	S	S	*	*				0	66.9	0	-65.8	177.1	-174.8	0	0	109.4
2	I	25	Very low	25	Very low	136 Å²	136	146.4 Å²	146.4	70%	0.697	80%	0.799	S	S	*	*				-77	134.1	105.1	-21.9	-175.2	0	0	0	99.8	P4	I2-P4 VanDerWaalsContact CG2-N 3.35Å; I2-P4 WeakPolarHBondContact CG2-O 3.32Å
3	F	19.1	Very low	24.7	Very low	193 Å²	193	151 Å²	151	85%	0.846	81%	0.807	S	S	*	*			cis	54.2	173.3	37.5	-131.7	-109.7	0	0	0	103.8
4	P	32.6	Very low	24.5	Very low	73 Å²	73	146.1 Å²	146.1	47%	0.474	80%	0.798	S	S	.	*			trans	-82.8	160.7	-157.9	35.4	-33.9	0	0	0	111.8	I2	I2-P4 VanDerWaalsContact CG2-N 3.35Å; I2-P4 WeakPolarHBondContact CG2-O 3.32Å
5	L	23.7	Very low	24.3	Very low	160 Å²	160	143.6 Å²	143.6	84%	0.838	80%	0.804	S	S	*	*				-176.7	125.5	75.6	-92.3	157.1	0	0	0	107.7
6	M	23	Very low	24.3	Very low	173 Å²	173	139.4 Å²	139.4	85%	0.852	80%	0.804	S	S	*	*			trans	-34.5	-179.1	136.4	-81.8	-175.1	163.8	0	0	114.2
7	P	30.9	Very low	24	Very low	95 Å²	95	139.2 Å²	139.2	62%	0.617	81%	0.806	S	S	*	*			cis	-137.7	-160	-34.3	33.7	-12.6	0	0	0	110.9
8	E	21.3	Very low	24.1	Very low	164 Å²	164	142.7 Å²	142.7	77%	0.766	81%	0.81	S	S	*	*			trans	81.5	112.9	156.3	-70.3	169.6	-167.2	0	0	116.9
9	T	22.3	Very low	23.9	Very low	139 Å²	139	141.3 Å²	141.3	85%	0.853	80%	0.804	S	S	*	*				47.1	100.1	56.8	70.7	0	0	0	0	115.3
10	G	20.9	Very low	23.8	Very low	83 Å²	83	140.1 Å²	140.1	86%	0.856	80%	0.802	S	S	*	*			trans	146.2	132	151.8	0	0	0	0	0	116.1
11	G	21.4	Very low	23.6	Very low	73 Å²	73	142.6 Å²	142.6	75%	0.753	80%	0.804	S	S	*	*			trans	91	103.5	164.5	0	0	0	0	0	113.8
12	R	19.8	Very low	22.8	Very low	237 Å²	237	139 Å²	139	89%	0.894	79%	0.788	S	S	*	*				33.7	105.6	61.2	-74.6	-168.1	-175.3	-166.3	2.9	112.3
13	F	21.5	Very low	22.6	Very low	206 Å²	206	139.7 Å²	139.7	90%	0.904	79%	0.792	S	S	*	*				-176.9	149.5	113.4	-109.4	-84	0	0	0	112.1
14	A	22.1	Very low	22.7	Very low	82 Å²	82	134.5 Å²	134.5	68%	0.678	79%	0.785	S	S	*	*			trans	64	107.2	153.7	0	0	0	0	0	118.5
15	A	21	Very low	22.1	Very low	109 Å²	109	140 Å²	140	90%	0.901	80%	0.801	S	S	*	*				69.8	104	76	0	0	0	0	0	112.3
16	G	23.7	Very low	22.1	Very low	77 Å²	77	141.6 Å²	141.6	79%	0.794	80%	0.802	S	S	*	*			trans	-164.7	74.8	176.9	0	0	0	0	0	110.1	K18	G16-K18 PolarHBondContact O-N 3.1Å
17	T	20.5	Very low	21.9	Very low	136 Å²	136	138.4 Å²	138.4	83%	0.834	80%	0.797	S	S	*	*			trans	-53.2	119.9	167.1	37.9	0	0	0	0	111.8
18	K	24.5	Very low	21.6	Very low	202 Å²	202	142.6 Å²	142.6	88%	0.878	81%	0.805	S	S	*	*			trans	-145.8	95.5	148.6	-79	-165.2	178.2	176.8	0	110.1	G16	G16-K18 PolarHBondContact O-N 3.1Å
19	T	19.9	Very low	21.6	Very low	116 Å²	116	140.2 Å²	140.2	71%	0.712	80%	0.802	S	S	*	*			trans	-67.4	144.4	149.2	-11.1	0	0	0	0	107.8	F21	T19-F21 HydrophobicContact CG2-CD2 4.18Å
20	P	23.2	Very low	21.6	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	80%	0.799	S	S	*	*				-139.7	142.4	98.1	31	-14.5	0	0	0	114.2
21	F	18.8	Very low	21.7	Very low	193 Å²	193	144.7 Å²	144.7	85%	0.846	80%	0.797	S	S	*	*			trans	-55.6	129.2	155.9	-90.4	-109.7	0	0	0	110.8	T19	T19-F21 HydrophobicContact CG2-CD2 4.18Å
22	I	24.2	Very low	21.8	Very low	155 Å²	155	146.3 Å²	146.3	80%	0.795	80%	0.795	S	S	*	*			trans	-136.9	104.9	146.3	-62.8	-174.5	0	0	0	109.2
23	L	20.7	Very low	21.9	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	79%	0.792	S	S	*	*			trans	13.5	118.7	138.1	-75.4	149.3	0	0	0	119.8
24	A	20.4	Very low	22	Very low	83 Å²	83	135.9 Å²	135.9	69%	0.686	78%	0.783	S	S	*	*				50.3	130.9	112.5	0	0	0	0	0	121
25	K	20.2	Very low	22	Very low	188 Å²	188	137.4 Å²	137.4	82%	0.817	78%	0.784	S	S	*	*			trans	106.9	104.3	152.9	-67.3	-179.5	174.9	178	0	114.3
26	F	23.3	Very low	22	Very low	195 Å²	195	137.9 Å²	137.9	86%	0.855	78%	0.776	S	S	*	*				-149.9	98.7	124.6	-96.8	-73.8	0	0	0	108.4	F28	F26-F28 PolarHBondContact O-N 2.99Å
27	S	20.1	Very low	21.9	Very low	106 Å²	106	143.7 Å²	143.7	74%	0.741	78%	0.776	S	S	*	*			trans	-66.3	117	163.3	-60.5	0	0	0	0	108.4
28	F	23.4	Very low	21.9	Very low	182 Å²	182	145 Å²	145	80%	0.798	77%	0.769	S	S	*	*			trans	-104.6	96.6	155.7	-92.3	-84.9	0	0	0	107.9	F26 V30	F26-F28 PolarHBondContact O-N 2.99Å; F28-V30 PolarHBondContact O-N 2.95Å
29	T	22.1	Very low	22	Very low	115 Å²	115	145.7 Å²	145.7	71%	0.706	77%	0.768	S	S	*	*			trans	-64.3	106.5	168.4	-44.1	0	0	0	0	107.8	F31	T29-F31 PolarHBondContact O-N 3.12Å
30	V	22.8	Very low	22.1	Very low	129 Å²	129	148.5 Å²	148.5	78%	0.782	77%	0.771	S	S	*	*			trans	-76	110.1	172.3	177.8	0	0	0	0	107.5	F28	F28-V30 PolarHBondContact O-N 2.95Å
31	F	22	Very low	22.1	Very low	186 Å²	186	146.9 Å²	146.9	82%	0.816	78%	0.775	S	S	*	*			trans	-73.1	127.9	165.4	-94.1	-84.6	0	0	0	109.4	T29	T29-F31 PolarHBondContact O-N 3.12Å
32	P	23.8	Very low	22.3	Very low	108 Å²	108	141 Å²	141	70%	0.701	77%	0.769	S	S	*	*			trans	-90.8	116.2	-178.6	33.4	-28.4	0	0	0	110.1
33	T	22.8	Very low	22.2	Very low	136 Å²	136	142.1 Å²	142.1	83%	0.834	77%	0.771	S	S	*	*			trans	-96.3	91.8	153.5	42	0	0	0	0	107.8	T35	T33-T35 PolarHBondContact O-N 3.33Å; T33-T35 VanDerWaalsContact O-N 3.15Å
34	A	21.7	Very low	22.2	Very low	88 Å²	88	141.2 Å²	141.2	73%	0.727	77%	0.771	S	S	*	*			trans	-70.6	97.2	168	0	0	0	0	0	108.8
35	T	22.6	Very low	22.3	Very low	113 Å²	113	145.7 Å²	145.7	69%	0.693	78%	0.776	S	S	*	*			trans	-100.2	99.1	161.3	-43.7	0	0	0	0	108	T33 Y37	T33-T35 PolarHBondContact O-N 3.33Å; T33-T35 VanDerWaalsContact O-N 3.15Å; T35-Y37 PolarHBondContact O-N 2.87Å; T35-Y37 VanDerWaalsContact O-N 3.09Å
36	T	20.7	Very low	22.5	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	78%	0.777	S	S	*	*			trans	-63.9	98	-179.6	-40.6	0	0	0	0	110.6	K38	T36-K38 PolarHBondContact O-N 2.85Å; T36-K38 VanDerWaalsContact O-N 3.13Å
37	Y	23.4	Very low	22.6	Very low	199 Å²	199	142.6 Å²	142.6	78%	0.78	77%	0.77	S	S	*	*			trans	-77.7	94.4	161.6	-82.4	-82.6	0	0	0	108.9	T35 Y39	T35-Y37 PolarHBondContact O-N 2.87Å; T35-Y37 VanDerWaalsContact O-N 3.09Å; Y37-Y39 PolarHBondContact O-N 2.98Å; Y37-Y39 VanDerWaalsContact O-N 3.08Å
38	K	20.3	Very low	22.8	Very low	162 Å²	162	140.9 Å²	140.9	70%	0.704	76%	0.758	S	S	*	*			trans	-67.2	92.2	167.5	-126.6	179.9	-178.1	179.8	0	108.1	T36 F40	T36-K38 PolarHBondContact O-N 2.85Å; T36-K38 VanDerWaalsContact O-N 3.13Å; K38-F40 HydrophobicContact CB-CD2 4.48Å; K38-F40 HydrophobicContact CB-CE2 4.43Å; K38-F40 HydrophobicContact CD-CE2 3.95Å; K38-F40 HydrophobicContact CD-CZ 4.36Å; K38-F40 HydrophobicContact CG-CE2 4.43Å; K38-F40 PolarHBondContact O-N 2.98Å
39	Y	25.5	Very low	23.2	Very low	218 Å²	218	137 Å²	137	86%	0.855	75%	0.753	S	S	*	*			trans	-80.7	105.1	161	-95.9	-85.2	0	0	0	108.2	Y37	Y37-Y39 PolarHBondContact O-N 2.98Å; Y37-Y39 VanDerWaalsContact O-N 3.08Å
40	F	23.3	Very low	23.5	Very low	175 Å²	175	138.7 Å²	138.7	77%	0.768	75%	0.753	S	S	*	*			trans	-66.5	139.5	172.6	-88	-96.3	0	0	0	111.3	K38	K38-F40 HydrophobicContact CB-CD2 4.48Å; K38-F40 HydrophobicContact CB-CE2 4.43Å; K38-F40 HydrophobicContact CD-CE2 3.95Å; K38-F40 HydrophobicContact CD-CZ 4.36Å; K38-F40 HydrophobicContact CG-CE2 4.43Å; K38-F40 PolarHBondContact O-N 2.98Å
41	G	21.5	Very low	23.7	Very low	82 Å²	82	139 Å²	139	85%	0.845	75%	0.75	S	S	*	*			trans	75.3	77.2	143.9	0	0	0	0	0	117.3
42	G	23.3	Very low	24.1	Very low	70 Å²	70	135.7 Å²	135.7	72%	0.722	74%	0.74	S	S	*	*			trans	-120.6	107.7	153.7	0	0	0	0	0	108.3	V44	G42-V44 PolarHBondContact O-N 3.25Å
43	E	22.2	Very low	24.4	Very low	178 Å²	178	133.4 Å²	133.4	83%	0.832	73%	0.73	S	S	*	*			trans	-50.3	119.1	177.3	-72.5	174.8	148.8	0	0	110.8	F45	E43-F45 PolarHBondContact O-N 3.33Å
44	V	21.9	Very low	24.7	Very low	132 Å²	132	132.2 Å²	132.2	80%	0.8	72%	0.722	S	S	*	*			trans	-75.3	103.6	168.5	176.7	0	0	0	0	106	G42 E46	G42-V44 PolarHBondContact O-N 3.25Å; V44-E46 PolarHBondContact O-N 2.98Å
45	F	22.4	Very low	25	Very low	178 Å²	178	131.4 Å²	131.4	78%	0.781	72%	0.715	S	S	*	*			trans	-62.8	102.7	164.4	-82.3	-90.3	0	0	0	107.9	E43 I47	E43-F45 PolarHBondContact O-N 3.33Å; F45-I47 PolarHBondContact O-N 3.15Å; F45-I47 VanDerWaalsContact O-N 3.16Å
46	E	22.5	Very low	25.3	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	72%	0.715	S	S	*	*			trans	-56.9	114.2	164.7	-91	-177.1	147.1	0	0	108.6	V44 S48	V44-E46 PolarHBondContact O-N 2.98Å; E46-S48 PolarHBondContact O-N 2.7Å
47	I	25.4	Very low	25.7	Very low	140 Å²	140	134.7 Å²	134.7	72%	0.718	71%	0.712	S	S	*	*			trans	-70.3	110.7	168.6	-63.5	171.2	0	0	0	105.7	F45 S49	F45-I47 PolarHBondContact O-N 3.15Å; F45-I47 VanDerWaalsContact O-N 3.16Å; I47-S49 PolarHBondContact O-N 2.74Å
48	S	25.5	Very low	26	Very low	70 Å²	70	133.5 Å²	133.5	49%	0.49	71%	0.714	S	S	.	*			trans	-55.7	139.1	178.5	63.4	0	0	0	0	110.9	E46 E50 L51	E46-S48 PolarHBondContact O-N 2.7Å; S48-E50 PolarHBondContact O-N 2.95Å; S48-L51 PolarHBondContact O-N 3.5Å
49	S	30.6	Very low	26.3	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-4.9	-175.1	42	0	0	0	0	115.1	I47	I47-S49 PolarHBondContact O-N 2.74Å
50	E	28.4	Very low	26.4	Very low	152 Å²	152	132.5 Å²	132.5	71%	0.71	71%	0.714	S	S	*	*	H	α-helix	trans	-73.9	-30.1	-180	-72.3	171.3	153.1	0	0	112.9	S48 L52 A53	S48-E50 PolarHBondContact O-N 2.95Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.89Å; E50-A53 PolarHBondContact O-N 3.08Å
51	L	27.8	Very low	26.5	Very low	136 Å²	136	132.6 Å²	132.6	71%	0.712	72%	0.719	S	S	*	*	H	α-helix	trans	-76.5	-20.8	176.8	-105.3	141.3	0	0	0	113.5	S48	S48-L51 PolarHBondContact O-N 3.5Å
52	L	30.4	Very low	26.7	Very low	116 Å²	116	136.3 Å²	136.3	61%	0.607	72%	0.718	S	S	*	*	H	α-helix	trans	-84.5	-17.1	175.1	-96.6	151.7	0	0	0	113.1	E50	E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.89Å
53	A	29.1	Very low	26.8	Very low	59 Å²	59	139.2 Å²	139.2	49%	0.488	72%	0.722	S	S	.	*	H	α-helix	trans	-76.3	-39.7	176.8	0	0	0	0	0	112	E50 A55 K56	E50-A53 PolarHBondContact O-N 3.08Å; A53-A55 VanDerWaalsContact C-N 3.32Å; A53-A55 PolarHBondContact O-N 2.67Å; A53-K56 PolarHBondContact O-N 2.96Å
54	V	29.3	Very low	26.9	Very low	112 Å²	112	142 Å²	142	68%	0.679	73%	0.725	S	S	*	*	H	α-helix	trans	-67.1	-33.5	-179.9	-176.8	0	0	0	0	111.9	K56	V54-K56 VanDerWaalsContact C-N 3.29Å; V54-K56 PolarHBondContact O-N 2.97Å
55	A	29.8	Very low	27	Very low	70 Å²	70	141.4 Å²	141.4	58%	0.579	72%	0.721	S	S	*	*	H	α-helix	trans	-75.7	-11.2	178.8	0	0	0	0	0	114.4	A53	A53-A55 VanDerWaalsContact C-N 3.32Å; A53-A55 PolarHBondContact O-N 2.67Å
56	K	29	Very low	27.2	Very low	159 Å²	159	140.2 Å²	140.2	69%	0.691	72%	0.722	S	S	*	*	H	α-helix	trans	-92.6	-19	179.5	-88.4	-179.2	176.1	176.2	0	113.9	A53 V54	A53-K56 PolarHBondContact O-N 2.96Å; V54-K56 VanDerWaalsContact C-N 3.29Å; V54-K56 PolarHBondContact O-N 2.97Å
57	E	28.2	Very low	27.2	Very low	144 Å²	144	136.4 Å²	136.4	67%	0.673	71%	0.714	S	S	*	*	H	α-helix	trans	-79.3	-35.7	-179.7	-86.3	-76.2	127	0	0	112.8	K59 K60	E57-K59 PolarHBondContact O-N 2.91Å; E57-K59 VanDerWaalsContact O-N 3.16Å; E57-K60 PolarHBondContact O-N 3.08Å
58	E	29.3	Very low	27.1	Very low	174 Å²	174	138.3 Å²	138.3	81%	0.813	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-17.2	179.9	-73.9	-169.8	151.6	0	0	114.1	K60	E58-K60 VanDerWaalsContact C-N 3.35Å; E58-K60 PolarHBondContact O-N 2.68Å
59	K	27.3	Very low	27.1	Very low	181 Å²	181	144.2 Å²	144.2	79%	0.787	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-10.2	-177.7	-139.7	177.4	-174.7	-179.9	0	113.9	E57	E57-K59 PolarHBondContact O-N 2.91Å; E57-K59 VanDerWaalsContact O-N 3.16Å
60	K	27	Very low	26.9	Very low	178 Å²	178	146.4 Å²	146.4	77%	0.774	73%	0.733	S	S	*	*	S	Bend	trans	-96.1	-11.7	-176.9	-85	-176.8	176.3	177.4	0	114.9	E57 E58	E57-K60 PolarHBondContact O-N 3.08Å; E58-K60 VanDerWaalsContact C-N 3.35Å; E58-K60 PolarHBondContact O-N 2.68Å
61	M	26.3	Very low	26.6	Very low	177 Å²	177	142.4 Å²	142.4	87%	0.872	73%	0.732	S	S	*	*	S	Bend	trans	-94.1	-6.4	-175.1	-139.6	178.2	-158.8	0	0	115.3
62	L	25.1	Very low	26.6	Very low	159 Å²	159	144.1 Å²	144.1	83%	0.832	74%	0.741	S	S	*	*	S	Bend	trans	-119.3	21.6	-167.5	-138.3	83.7	0	0	0	116.5
63	V	25.8	Very low	26.3	Very low	131 Å²	131	147 Å²	147	79%	0.794	75%	0.749	S	S	*	*			trans	-116.1	20.5	-177.5	-172.6	0	0	0	0	113.5
64	R	22.9	Very low	26.3	Very low	238 Å²	238	152 Å²	152	90%	0.898	76%	0.762	S	S	*	*			trans	-114.7	123	166.5	-74.8	-176.2	176.3	177.9	-1.1	109.5
65	T	24.6	Very low	26.4	Very low	118 Å²	118	152 Å²	152	72%	0.724	77%	0.767	S	S	*	*			trans	115.1	97.9	153.1	-47.3	0	0	0	0	116.2
66	I	26.6	Very low	26.8	Very low	154 Å²	154	151.5 Å²	151.5	79%	0.79	77%	0.768	S	S	*	*			trans	80.8	122.8	142.2	-58.2	171.3	0	0	0	116.9
67	S	22.8	Very low	27.4	Very low	97 Å²	97	151.2 Å²	151.2	68%	0.678	77%	0.773	S	S	*	*			cis	73.3	89	28	-160.4	0	0	0	0	118.1
68	F	24.1	Very low	27.8	Very low	180 Å²	180	152.3 Å²	152.3	79%	0.789	78%	0.778	S	S	*	*			trans	159	120.5	139.6	-111.9	-108	0	0	0	108.7
69	R	24.7	Very low	28.4	Very low	195 Å²	195	148.2 Å²	148.2	74%	0.736	77%	0.765	S	S	*	*				88.2	122	66.6	-122.9	-168	-179.8	179	2	115
70	N	25.4	Very low	28.9	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	75%	0.752	S	S	*	*			trans	77.1	129.4	146.6	-66.4	-12.9	0	0	0	123.6
71	G	24.2	Very low	29.5	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	75%	0.751	S	S	*	*			trans	130.4	122.8	130.5	0	0	0	0	0	119.7
72	L	26.6	Very low	30.4	Very low	172 Å²	172	140.3 Å²	140.3	90%	0.901	74%	0.74	S	S	*	*			trans	73.5	118.7	156.4	-65.3	129.5	0	0	0	118
73	K	24.7	Very low	31.3	Very low	176 Å²	176	137.4 Å²	137.4	77%	0.765	72%	0.724	S	S	*	*			cis	77.7	117	26.3	-117.2	-171.1	-169.6	-168	0	115.8
74	H	28.9	Very low	32.2	Very low	166 Å²	166	137 Å²	137	77%	0.769	72%	0.717	S	S	*	*			trans	80.9	109	160.6	-65.9	-78.7	0	0	0	121.3
75	S	32	Very low	33.2	Very low	111 Å²	111	133 Å²	133	78%	0.776	71%	0.707	S	S	*	*				171.5	82.4	120.8	64.9	0	0	0	0	111
76	G	37.6	Very low	34.3	Very low	59 Å²	59	131 Å²	131	61%	0.608	69%	0.694	S	S	*	*			trans	-95.6	18.7	-166.1	0	0	0	0	0	117.7
77	I	41	Very low	35.1	Very low	153 Å²	153	127 Å²	127	79%	0.785	68%	0.679	S	S	*	*	S	Bend	trans	-115.7	-17	-170.3	-62.1	178.9	0	0	0	114.6
78	Q	35.9	Very low	36.1	Very low	168 Å²	168	125 Å²	125	79%	0.785	67%	0.669	S	S	*	*	S	Bend	trans	-83.8	-19.6	171.7	-80.9	177.1	-26.9	0	0	114	C80	Q78-C80 PolarHBondContact O-N 2.79Å
79	V	42	Very low	37.3	Very low	87 Å²	87	119.7 Å²	119.7	53%	0.527	65%	0.651	S	S	.	*	H	α-helix	trans	-71.6	-29.3	-177.1	-177.2	0	0	0	0	112.2	F81 L83	V79-F81 PolarHBondContact O-N 3Å; V79-L83 HydrophobicContact CG1-CD1 3.72Å; V79-L83 HydrophobicContact CG1-CG 4.2Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 WeakPolarHBondContact O-CD1 3.45Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.31Å; V79-L83 PolarHBondContact O-N 3.19Å
80	C	38.8	Very low	38.1	Very low	76 Å²	76	118 Å²	118	51%	0.514	65%	0.649	S	S	.	*	H	α-helix	trans	-69.3	-33.8	-178.9	-73.5	0	0	0	0	113.6	Q78 L84	Q78-C80 PolarHBondContact O-N 2.79Å; C80-L84 PolarHBondContact O-N 3.1Å
81	F	39.7	Very low	38.8	Very low	172 Å²	172	118.7 Å²	118.7	75%	0.754	65%	0.646	S	S	*	*	H	α-helix	trans	-74.7	-37.7	179.2	-112.1	-85.8	0	0	0	112.1	V79 L84 F85	V79-F81 PolarHBondContact O-N 3Å; F81-L84 PolarHBondContact O-N 2.66Å; F81-F85 PolarHBondContact O-N 2.81Å
82	L	45	Very low	39.5	Very low	122 Å²	122	123.7 Å²	123.7	64%	0.639	65%	0.649	S	S	*	*	H	α-helix	trans	-69.4	-34.9	173.6	-98.6	130.2	0	0	0	112.6	T86	L82-T86 WeakPolarHBondContact O-CB 3.04Å; L82-T86 VanDerWaalsContact O-CG2 3.28Å; L82-T86 WeakPolarHBondContact O-CG2 3.36Å; L82-T86 PolarHBondContact O-N 2.04Å; L82-T86 PolarHBondContact O-OG1 2.86Å
83	L	44.4	Very low	40	Very low	98 Å²	98	120.4 Å²	120.4	51%	0.513	63%	0.631	S	S	.	*	H	α-helix	trans	-65.6	-35.7	173.7	-81.2	167.1	0	0	0	112.8	V79 T86 C87	V79-L83 HydrophobicContact CG1-CD1 3.72Å; V79-L83 HydrophobicContact CG1-CG 4.2Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 WeakPolarHBondContact O-CD1 3.45Å; V79-L83 VanDerWaalsContact O-CG 3.3Å; V79-L83 WeakPolarHBondContact O-CG 3.31Å; V79-L83 PolarHBondContact O-N 3.19Å; L83-T86 WeakPolarHBondContact CA-OG1 3.34Å; L83-T86 PolarHBondContact O-OG1 2.99Å; L83-T86 VanDerWaalsContact O-OG1 3.13Å; L83-C87 WeakPolarHBondContact O-CB 3.4Å; L83-C87 PolarHBondContact O-N 2.65Å; L83-C87 VanDerWaalsContact O-N 3.14Å; L83-C87 PolarHBondContact O-SG 3.05Å
84	L	45.1	Very low	40.7	Very low	124 Å²	124	115.1 Å²	115.1	65%	0.649	62%	0.62	S	S	*	*	H	α-helix	trans	-73.6	-40	177.9	-78.5	163.5	0	0	0	112.2	C80 F81 C87 A88	C80-L84 PolarHBondContact O-N 3.1Å; F81-L84 PolarHBondContact O-N 2.66Å; L84-C87 PolarHBondContact O-N 2.91Å; L84-A88 PolarHBondContact O-N 3.19Å; L84-A88 VanDerWaalsContact O-N 3.09Å
85	F	43.4	Very low	41	Very low	154 Å²	154	111.3 Å²	111.3	68%	0.675	62%	0.617	S	S	*	*	H	α-helix	trans	-69.5	-40.4	178.6	-162.2	-97	0	0	0	112.1	F81 A88 V89	F81-F85 PolarHBondContact O-N 2.81Å; F85-A88 PolarHBondContact O-N 2.83Å; F85-V89 HydrophobicContact CD1-CG2 4.23Å; F85-V89 HydrophobicContact CE1-CG2 4.03Å; F85-V89 WeakPolarHBondContact O-CG2 3.26Å; F85-V89 PolarHBondContact O-N 2.88Å; F85-V89 VanDerWaalsContact O-N 3.11Å
86	T	48.3	Very low	41.1	Very low	75 Å²	75	109.9 Å²	109.9	46%	0.46	60%	0.604	S	S	.	*	H	α-helix	trans	-65	-39.8	175.1	48	0	0	0	0	111.9	L82 L83 V89 F90	L82-T86 WeakPolarHBondContact O-CB 3.04Å; L82-T86 VanDerWaalsContact O-CG2 3.28Å; L82-T86 WeakPolarHBondContact O-CG2 3.36Å; L82-T86 PolarHBondContact O-N 2.04Å; L82-T86 PolarHBondContact O-OG1 2.86Å; L83-T86 WeakPolarHBondContact CA-OG1 3.34Å; L83-T86 PolarHBondContact O-OG1 2.99Å; L83-T86 VanDerWaalsContact O-OG1 3.13Å; T86-V89 PolarHBondContact O-N 2.82Å; T86-F90 VanDerWaalsContact O-CB 3.3Å; T86-F90 WeakPolarHBondContact O-CB 3.21Å; T86-F90 PolarHBondContact O-N 3.44Å
87	C	42.9	Very low	41.1	Very low	69 Å²	69	114.8 Å²	114.8	47%	0.466	62%	0.617	S	S	.	*	H	α-helix	trans	-62.9	-40.7	173.8	-79	0	0	0	0	113.1	L83 L84 F90 F91	L83-C87 WeakPolarHBondContact O-CB 3.4Å; L83-C87 PolarHBondContact O-N 2.65Å; L83-C87 VanDerWaalsContact O-N 3.14Å; L83-C87 PolarHBondContact O-SG 3.05Å; L84-C87 PolarHBondContact O-N 2.91Å; C87-F90 PolarHBondContact O-N 3.01Å; C87-F91 WeakPolarHBondContact O-CD2 3.11Å; C87-F91 PolarHBondContact O-N 2.68Å
88	A	44.3	Very low	41.1	Very low	57 Å²	57	118.8 Å²	118.8	47%	0.471	62%	0.622	S	S	.	*	H	α-helix	trans	-65.7	-42.1	178.4	0	0	0	0	0	112.1	L84 F85 F91 F92	L84-A88 PolarHBondContact O-N 3.19Å; L84-A88 VanDerWaalsContact O-N 3.09Å; F85-A88 PolarHBondContact O-N 2.83Å; A88-F91 PolarHBondContact O-N 3.11Å; A88-F92 PolarHBondContact O-N 2.99Å
89	V	47.8	Very low	41	Very low	67 Å²	67	115 Å²	115	41%	0.406	61%	0.607	S	S	.	*	H	α-helix	trans	-67.1	-38.4	175.3	176.4	0	0	0	0	111.1	F85 T86 F91 F92 L93	F85-V89 HydrophobicContact CD1-CG2 4.23Å; F85-V89 HydrophobicContact CE1-CG2 4.03Å; F85-V89 WeakPolarHBondContact O-CG2 3.26Å; F85-V89 PolarHBondContact O-N 2.88Å; F85-V89 VanDerWaalsContact O-N 3.11Å; T86-V89 PolarHBondContact O-N 2.82Å; V89-F91 PolarHBondContact O-N 2.94Å; V89-F92 PolarHBondContact O-N 3.14Å; V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 WeakPolarHBondContact O-CB 3.36Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.18Å; V89-L93 PolarHBondContact O-N 3.11Å
90	F	42.1	Very low	40.7	Very low	160 Å²	160	113.4 Å²	113.4	70%	0.702	61%	0.607	S	S	*	*	H	α-helix	trans	-64.1	-39	175.9	-151.1	-87.9	0	0	0	112.1	T86 C87 A94	T86-F90 VanDerWaalsContact O-CB 3.3Å; T86-F90 WeakPolarHBondContact O-CB 3.21Å; T86-F90 PolarHBondContact O-N 3.44Å; C87-F90 PolarHBondContact O-N 3.01Å; F90-A94 WeakPolarHBondContact O-CB 3.36Å; F90-A94 PolarHBondContact O-N 2.98Å
91	F	40.2	Very low	40.8	Very low	160 Å²	160	115.8 Å²	115.8	70%	0.702	62%	0.615	S	S	*	*	H	α-helix	trans	-71	-39.5	175.9	-97.3	-80.6	0	0	0	112.8	C87 A88 V89 L93 A94 A95	C87-F91 WeakPolarHBondContact O-CD2 3.11Å; C87-F91 PolarHBondContact O-N 2.68Å; A88-F91 PolarHBondContact O-N 3.11Å; V89-F91 PolarHBondContact O-N 2.94Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 3Å; F91-A94 PolarHBondContact O-N 3.47Å; F91-A95 PolarHBondContact O-N 2.78Å; F91-A95 VanDerWaalsContact O-N 3.13Å
92	F	38.1	Very low	40.8	Very low	172 Å²	172	112.7 Å²	112.7	75%	0.754	61%	0.605	S	S	*	*	H	α-helix	trans	-66.8	-36.4	177.5	-126	-85.9	0	0	0	112.2	A88 V89	A88-F92 PolarHBondContact O-N 2.99Å; V89-F92 PolarHBondContact O-N 3.14Å
93	L	37.9	Very low	40.5	Very low	103 Å²	103	112.2 Å²	112.2	54%	0.539	60%	0.603	S	S	.	*	H	α-helix	trans	-76	-34.6	176.2	-67.8	171.9	0	0	0	112.5	V89 F91 A95 T96	V89-L93 HydrophobicContact CG1-CD1 3.81Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 WeakPolarHBondContact O-CB 3.36Å; V89-L93 VanDerWaalsContact O-CG 3.29Å; V89-L93 WeakPolarHBondContact O-CG 3.18Å; V89-L93 PolarHBondContact O-N 3.11Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 3Å; L93-A95 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 3.09Å; L93-T96 PolarHBondContact O-N 3.17Å; L93-T96 PolarHBondContact O-OG1 3.29Å
94	A	38.6	Very low	40.3	Very low	64 Å²	64	109.3 Å²	109.3	53%	0.529	59%	0.589	S	S	.	*	H	α-helix	trans	-69.8	-24.3	176.5	0	0	0	0	0	113.7	F90 F91 T96	F90-A94 WeakPolarHBondContact O-CB 3.36Å; F90-A94 PolarHBondContact O-N 2.98Å; F91-A94 PolarHBondContact O-N 3.47Å; A94-T96 VanDerWaalsContact C-N 3.33Å
95	A	35.2	Very low	40.2	Very low	86 Å²	86	109.9 Å²	109.9	71%	0.711	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-13	176.1	0	0	0	0	0	113.6	F91 L93	F91-A95 PolarHBondContact O-N 2.78Å; F91-A95 VanDerWaalsContact O-N 3.13Å; L93-A95 VanDerWaalsContact C-N 3.31Å; L93-A95 PolarHBondContact O-N 3.09Å
96	T	34.1	Very low	40.1	Very low	81 Å²	81	109.5 Å²	109.5	50%	0.497	58%	0.579	S	S	.	*	S	Bend	trans	-88.9	120.7	173	61.2	0	0	0	0	110	L93 A94 R98	L93-T96 PolarHBondContact O-N 3.17Å; L93-T96 PolarHBondContact O-OG1 3.29Å; A94-T96 VanDerWaalsContact C-N 3.33Å; T96-R98 PolarHBondContact O-N 2.81Å
97	D	38.6	Very low	39.9	Very low	163 Å²	163	109.1 Å²	109.1	87%	0.872	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	40.9	-167.3	-161	22.6	0	0	0	115.3
98	R	39.7	Very low	40	Very low	237 Å²	237	107.5 Å²	107.5	89%	0.894	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	9.6	179.7	-74.2	-167.4	-179.8	-170	2.1	115	T96	T96-R98 PolarHBondContact O-N 2.81Å
99	L	34	Very low	40	Very low	89 Å²	89	113 Å²	113	47%	0.466	57%	0.574	S	S	.	*			trans	-109.2	7	178.1	-74.4	170.4	0	0	0	115.6	N101 I102	L99-N101 PolarHBondContact O-N 3.45Å; L99-N101 VanDerWaalsContact O-N 3.16Å; L99-I102 HydrophobicContact CD2-CB 4.45Å; L99-I102 HydrophobicContact CD2-CD1 3.76Å; L99-I102 HydrophobicContact CD2-CG1 4.42Å; L99-I102 PolarHBondContact O-N 2.97Å
100	G	36.4	Very low	39.7	Very low	52 Å²	52	114.9 Å²	114.9	54%	0.536	58%	0.581	S	S	.	*	H	α-helix	trans	-57	-29.8	177.4	0	0	0	0	0	114.6
101	N	41.9	Very low	39.7	Very low	126 Å²	126	107.8 Å²	107.8	67%	0.674	55%	0.552	S	S	*	*	H	α-helix	trans	-83.4	-21.2	-177.9	-74.4	-29.8	0	0	0	114.5	L99	L99-N101 PolarHBondContact O-N 3.45Å; L99-N101 VanDerWaalsContact O-N 3.16Å
102	I	38.6	Very low	39.8	Very low	107 Å²	107	107.4 Å²	107.4	55%	0.549	56%	0.557	S	S	.	*	H	α-helix	trans	-85.4	-33.5	-179.2	-65.7	-179.1	0	0	0	111.1	L99 V104 Y105 Y106	L99-I102 HydrophobicContact CD2-CB 4.45Å; L99-I102 HydrophobicContact CD2-CD1 3.76Å; L99-I102 HydrophobicContact CD2-CG1 4.42Å; L99-I102 PolarHBondContact O-N 2.97Å; I102-V104 PolarHBondContact O-N 3.24Å; I102-Y105 PolarHBondContact O-N 3.13Å; I102-Y106 WeakPolarHBondContact O-CB 3.3Å; I102-Y106 PolarHBondContact O-N 3.1Å
103	N	38.2	Very low	40.4	Very low	112 Å²	112	101.2 Å²	101.2	60%	0.599	54%	0.542	S	S	*	.	H	α-helix	trans	-68	-38.5	-175.2	-138.9	-8.7	0	0	0	112.3	Y106 V107	N103-Y106 PolarHBondContact O-N 3.3Å; N103-V107 WeakPolarHBondContact O-CB 3.06Å; N103-V107 WeakPolarHBondContact O-CG2 3.19Å; N103-V107 PolarHBondContact O-N 3.38Å
104	V	41.4	Very low	41.5	Very low	37 Å²	37	100.6 Å²	100.6	22%	0.224	55%	0.547	C	S	.	.	H	α-helix	trans	-65.7	-44.3	175	175.1	0	0	0	0	111.8	I102 Y106 V107 S108 F124	I102-V104 PolarHBondContact O-N 3.24Å; V104-Y106 VanDerWaalsContact C-N 3.26Å; V104-Y106 PolarHBondContact O-N 3.31Å; V104-V107 PolarHBondContact O-N 2.94Å; V104-S108 PolarHBondContact O-N 3.06Å; V104-F124 HydrophobicContact CB-CD2 4.23Å; V104-F124 HydrophobicContact CG1-CB 3.65Å; V104-F124 HydrophobicContact CG1-CD2 3.98Å; V104-F124 HydrophobicContact CG1-CG 4.02Å; V104-F124 HydrophobicContact CG2-CB 4.27Å; V104-F124 HydrophobicContact CG2-CD2 4.13Å
105	Y	42.4	Very low	42.4	Very low	136 Å²	136	100.9 Å²	100.9	53%	0.533	53%	0.534	S	S	.	.	H	α-helix	trans	-62	-36.3	178.2	-174	-91.9	0	0	0	111.6	I102 S108 R109	I102-Y105 PolarHBondContact O-N 3.13Å; Y105-S108 PolarHBondContact O-OG 3.46Å; Y105-R109 PolarHBondContact O-N 3.27Å; Y105-R109 PolarHBondContact OH-NH2 3.4Å
106	Y	41.2	Very low	43.6	Very low	147 Å²	147	103.1 Å²	103.1	58%	0.576	53%	0.528	S	S	*	.	H	α-helix	trans	-73.7	-42.6	177.8	-143.8	-108.2	0	0	0	112	I102 N103 V104 S108 R109 I110	I102-Y106 WeakPolarHBondContact O-CB 3.3Å; I102-Y106 PolarHBondContact O-N 3.1Å; N103-Y106 PolarHBondContact O-N 3.3Å; V104-Y106 VanDerWaalsContact C-N 3.26Å; V104-Y106 PolarHBondContact O-N 3.31Å; Y106-S108 VanDerWaalsContact C-N 3.33Å; Y106-S108 PolarHBondContact O-N 3.49Å; Y106-R109 PolarHBondContact O-N 2.74Å; Y106-I110 HydrophobicContact CD1-CD1 3.29Å; Y106-I110 HydrophobicContact CD1-CG1 4.39Å; Y106-I110 HydrophobicContact CE1-CD1 3.28Å; Y106-I110 HydrophobicContact CE1-CG1 4.46Å; Y106-I110 HydrophobicContact CG-CD1 4.22Å; Y106-I110 WeakPolarHBondContact O-CG1 3.08Å; Y106-I110 PolarHBondContact O-N 3.41Å; Y106-I110 VanDerWaalsContact O-N 3.12Å
107	V	44.6	Very low	45.2	Very low	67 Å²	67	103.9 Å²	103.9	41%	0.406	53%	0.525	S	S	.	.	H	α-helix	trans	-62.3	-39.2	175.1	174.1	0	0	0	0	111.1	N103 V104 R109 I110 A111 A120	N103-V107 WeakPolarHBondContact O-CB 3.06Å; N103-V107 WeakPolarHBondContact O-CG2 3.19Å; N103-V107 PolarHBondContact O-N 3.38Å; V104-V107 PolarHBondContact O-N 2.94Å; V107-R109 VanDerWaalsContact C-N 3.29Å; V107-R109 PolarHBondContact O-N 3.1Å; V107-I110 PolarHBondContact O-N 3.5Å; V107-A111 WeakPolarHBondContact O-CB 3.21Å; V107-A111 PolarHBondContact O-N 3.17Å; V107-A120 HydrophobicContact CB-CB 4.45Å; V107-A120 HydrophobicContact CG1-CB 3.77Å
108	S	43.7	Very low	46.4	Very low	35 Å²	35	96.5 Å²	96.5	25%	0.245	49%	0.486	C	S	.	.	H	α-helix	trans	-66.9	-27.6	177.7	85.3	0	0	0	0	113.4	V104 Y105 Y106 K117	V104-S108 PolarHBondContact O-N 3.06Å; Y105-S108 PolarHBondContact O-OG 3.46Å; Y106-S108 VanDerWaalsContact C-N 3.33Å; Y106-S108 PolarHBondContact O-N 3.49Å; S108-K117 VanDerWaalsContact O-CE 3.31Å; S108-K117 WeakPolarHBondContact O-CE 3.43Å
109	R	45.7	Very low	47.6	Very low	171 Å²	171	86.7 Å²	86.7	65%	0.645	45%	0.451	S	S	*	.	H	α-helix	trans	-77.9	-37.9	174.3	-89.4	-161.4	-169.4	-174	5.7	113.1	Y105 Y106 V107	Y105-R109 PolarHBondContact O-N 3.27Å; Y105-R109 PolarHBondContact OH-NH2 3.4Å; Y106-R109 PolarHBondContact O-N 2.74Å; V107-R109 VanDerWaalsContact C-N 3.29Å; V107-R109 PolarHBondContact O-N 3.1Å
110	I	41.2	Very low	49.1	Very low	108 Å²	108	82.7 Å²	82.7	55%	0.554	43%	0.431	S	S	*	.	H	α-helix	trans	-89	-20.8	-173.6	-56.7	170.1	0	0	0	112.2	Y106 V107 N112	Y106-I110 HydrophobicContact CD1-CD1 3.29Å; Y106-I110 HydrophobicContact CD1-CG1 4.39Å; Y106-I110 HydrophobicContact CE1-CD1 3.28Å; Y106-I110 HydrophobicContact CE1-CG1 4.46Å; Y106-I110 HydrophobicContact CG-CD1 4.22Å; Y106-I110 WeakPolarHBondContact O-CG1 3.08Å; Y106-I110 PolarHBondContact O-N 3.41Å; Y106-I110 VanDerWaalsContact O-N 3.12Å; V107-I110 PolarHBondContact O-N 3.5Å; I110-N112 PolarHBondContact O-N 3.27Å
111	A	42.6	Very low	50.6	Low	10 Å²	10	85.1 Å²	85.1	8%	0.083	43%	0.428	C	S	.	.			trans	-62.5	94.1	175.3	0	0	0	0	0	112.1	V107 G113 K116 K117	V107-A111 WeakPolarHBondContact O-CB 3.21Å; V107-A111 PolarHBondContact O-N 3.17Å; A111-G113 PolarHBondContact O-N 2.86Å; A111-K116 HydrophobicContact CB-CB 3.68Å; A111-K117 HydrophobicContact CB-CG 3.85Å; A111-K117 WeakPolarHBondContact O-CE 3.35Å
112	N	40.8	Very low	51.9	Low	152 Å²	152	79.5 Å²	79.5	81%	0.813	40%	0.398	S	S	*	.			trans	-71.8	104	165.8	-80.8	-13.5	0	0	0	109.4	I110	I110-N112 PolarHBondContact O-N 3.27Å
113	G	52.3	Low	53.4	Low	43 Å²	43	80.1 Å²	80.1	44%	0.443	40%	0.399	S	S	.	.	S	Bend	trans	130.2	134.6	177.1	0	0	0	0	0	113.1	A111 Y115 K116 K117	A111-G113 PolarHBondContact O-N 2.86Å; G113-Y115 VanDerWaalsContact C-N 3.3Å; G113-Y115 PolarHBondContact O-N 3.5Å; G113-K116 PolarHBondContact O-N 3.35Å; G113-K117 PolarHBondContact O-N 2.99Å
114	S	59.9	Low	54.7	Low	90 Å²	90	79.9 Å²	79.9	63%	0.629	39%	0.393	S	S	*	.	H	α-helix	trans	-56.5	-40.4	-176.1	57.6	0	0	0	0	113	K117 A118	S114-K117 PolarHBondContact O-N 2.97Å; S114-A118 WeakPolarHBondContact O-CB 3.49Å; S114-A118 PolarHBondContact O-N 3.41Å
115	Y	58.4	Low	56.2	Low	69 Å²	69	80.5 Å²	80.5	27%	0.271	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-49	178.4	-179.2	-108.1	0	0	0	113	G113 K117 A118 I119 Q605 D609 L631	G113-Y115 VanDerWaalsContact C-N 3.3Å; G113-Y115 PolarHBondContact O-N 3.5Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 2.77Å; Y115-A118 WeakPolarHBondContact O-CB 3.24Å; Y115-A118 PolarHBondContact O-N 3.07Å; Y115-A118 VanDerWaalsContact O-N 3.09Å; Y115-I119 HydrophobicContact CD1-CG1 4.06Å; Y115-I119 HydrophobicContact CD2-CG1 4.23Å; Y115-I119 HydrophobicContact CE1-CD1 4.18Å; Y115-I119 HydrophobicContact CE1-CG1 3.62Å; Y115-I119 HydrophobicContact CE2-CD1 3.81Å; Y115-I119 HydrophobicContact CE2-CG1 3.79Å; Y115-I119 HydrophobicContact CG-CG1 4.37Å; Y115-I119 VanDerWaalsContact CZ-CG1 3.5Å; Y115-I119 WeakPolarHBondContact O-CG1 3.34Å; Y115-I119 PolarHBondContact O-N 3.03Å; Y115-Q605 VanDerWaalsContact CD2-OE1 3.25Å; Y115-D609 PolarHBondContact OH-OD1 2.93Å; Y115-L631 HydrophobicContact CD2-CD2 3.89Å; Y115-L631 HydrophobicContact CE2-CB 4.46Å; Y115-L631 HydrophobicContact CE2-CD2 3.37Å; Y115-L631 HydrophobicContact CE2-CG 4.45Å
116	K	60.8	Low	57.5	Low	133 Å²	133	81.6 Å²	81.6	58%	0.578	40%	0.397	S	S	*	.	H	α-helix	trans	-64	-36.6	-178.6	-70.6	-177.5	179.6	179.6	0	111.8	A111 G113 A120	A111-K116 HydrophobicContact CB-CB 3.68Å; G113-K116 PolarHBondContact O-N 3.35Å; K116-A120 PolarHBondContact O-N 2.97Å; K116-A120 VanDerWaalsContact O-N 3.07Å
117	K	65.7	Low	58.7	Low	98 Å²	98	80.2 Å²	80.2	43%	0.426	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-43.5	172.1	-71.3	-174.2	179	-177.8	0	111.6	S108 A111 G113 S114 Y115 A120 Q121	S108-K117 VanDerWaalsContact O-CE 3.31Å; S108-K117 WeakPolarHBondContact O-CE 3.43Å; A111-K117 HydrophobicContact CB-CG 3.85Å; A111-K117 WeakPolarHBondContact O-CE 3.35Å; G113-K117 PolarHBondContact O-N 2.99Å; S114-K117 PolarHBondContact O-N 2.97Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 2.77Å; K117-A120 PolarHBondContact O-N 3.21Å; K117-Q121 WeakPolarHBondContact O-CG 3.4Å; K117-Q121 PolarHBondContact O-N 3.05Å
118	A	64.3	Low	59.8	Low	8 Å²	8	83.9 Å²	83.9	7%	0.066	42%	0.423	C	S	.	.	H	α-helix	trans	-64.3	-42.8	177.2	0	0	0	0	0	112	S114 Y115 A120 Q121 L122 Q605	S114-A118 WeakPolarHBondContact O-CB 3.49Å; S114-A118 PolarHBondContact O-N 3.41Å; Y115-A118 WeakPolarHBondContact O-CB 3.24Å; Y115-A118 PolarHBondContact O-N 3.07Å; Y115-A118 VanDerWaalsContact O-N 3.09Å; A118-A120 PolarHBondContact O-N 2.95Å; A118-Q121 CarbonylContact O-C 3.41Å; A118-Q121 WeakPolarHBondContact O-CB 2.95Å; A118-Q121 PolarHBondContact O-N 2.88Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 VanDerWaalsContact O-CG 3.26Å; A118-L122 WeakPolarHBondContact O-CG 3.25Å; A118-L122 PolarHBondContact O-N 3.1Å; A118-Q605 HydrophobicContact CB-CB 4.01Å; A118-Q605 HydrophobicContact CB-CG 3.83Å
119	I	64.8	Low	61.4	Low	31 Å²	31	84.1 Å²	84.1	16%	0.159	42%	0.421	C	S	.	.	H	α-helix	trans	-62.7	-43	176.5	-66.3	-69.7	0	0	0	111.5	Y115 Q121 L122 E123 D609	Y115-I119 HydrophobicContact CD1-CG1 4.06Å; Y115-I119 HydrophobicContact CD2-CG1 4.23Å; Y115-I119 HydrophobicContact CE1-CD1 4.18Å; Y115-I119 HydrophobicContact CE1-CG1 3.62Å; Y115-I119 HydrophobicContact CE2-CD1 3.81Å; Y115-I119 HydrophobicContact CE2-CG1 3.79Å; Y115-I119 HydrophobicContact CG-CG1 4.37Å; Y115-I119 VanDerWaalsContact CZ-CG1 3.5Å; Y115-I119 WeakPolarHBondContact O-CG1 3.34Å; Y115-I119 PolarHBondContact O-N 3.03Å; I119-Q121 VanDerWaalsContact C-N 3.29Å; I119-Q121 PolarHBondContact O-N 3.47Å; I119-L122 HydrophobicContact CD1-CD1 4.12Å; I119-L122 WeakPolarHBondContact O-CB 3.35Å; I119-L122 PolarHBondContact O-N 2.89Å; I119-L122 VanDerWaalsContact O-N 3.12Å; I119-E123 WeakPolarHBondContact O-CG 3.34Å; I119-E123 PolarHBondContact O-N 3.01Å; I119-D609 HydrophobicContact CD1-CB 3.87Å; I119-D609 VanDerWaalsContact CD1-CG 3.44Å; I119-D609 WeakPolarHBondContact CD1-OD1 3.45Å
120	A	65.2	Low	63.1	Low	4 Å²	4	76.9 Å²	76.9	3%	0.033	40%	0.397	C	S	.	.	H	α-helix	trans	-61.3	-38.8	174.7	0	0	0	0	0	112.2	V107 K116 K117 A118 F124	V107-A120 HydrophobicContact CB-CB 4.45Å; V107-A120 HydrophobicContact CG1-CB 3.77Å; K116-A120 PolarHBondContact O-N 2.97Å; K116-A120 VanDerWaalsContact O-N 3.07Å; K117-A120 PolarHBondContact O-N 3.21Å; A118-A120 PolarHBondContact O-N 2.95Å; A120-F124 PolarHBondContact O-N 3.1Å; A120-F124 VanDerWaalsContact O-N 3.17Å
121	Q	68.9	Low	65.1	Low	103 Å²	103	77.2 Å²	77.2	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-40.1	172.4	-73.1	175.8	-23.1	0	0	112.2	K117 A118 I119 F124 L125 L602	K117-Q121 WeakPolarHBondContact O-CG 3.4Å; K117-Q121 PolarHBondContact O-N 3.05Å; A118-Q121 CarbonylContact O-C 3.41Å; A118-Q121 WeakPolarHBondContact O-CB 2.95Å; A118-Q121 PolarHBondContact O-N 2.88Å; I119-Q121 VanDerWaalsContact C-N 3.29Å; I119-Q121 PolarHBondContact O-N 3.47Å; Q121-F124 PolarHBondContact O-N 3.06Å; Q121-L125 WeakPolarHBondContact O-CB 3.42Å; Q121-L125 VanDerWaalsContact O-CG 3.27Å; Q121-L125 WeakPolarHBondContact O-CG 3.4Å; Q121-L125 PolarHBondContact O-N 3.4Å; Q121-L602 HydrophobicContact CB-CD1 4.13Å
122	L	69.7	Low	67.3	Low	9 Å²	9	78.8 Å²	78.8	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-66.2	-38.5	177.3	-72.3	169.2	0	0	0	112	A118 I119 L125 R126 L129 L602 Q605 F606	A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 VanDerWaalsContact O-CG 3.26Å; A118-L122 WeakPolarHBondContact O-CG 3.25Å; A118-L122 PolarHBondContact O-N 3.1Å; I119-L122 HydrophobicContact CD1-CD1 4.12Å; I119-L122 WeakPolarHBondContact O-CB 3.35Å; I119-L122 PolarHBondContact O-N 2.89Å; I119-L122 VanDerWaalsContact O-N 3.12Å; L122-L125 CarbonylContact O-C 3.5Å; L122-L125 PolarHBondContact O-N 3.32Å; L122-R126 WeakPolarHBondContact O-CA 3.48Å; L122-R126 PolarHBondContact O-N 3.22Å; L122-L129 HydrophobicContact CB-CD1 4.24Å; L122-L129 HydrophobicContact CD2-CD1 3.76Å; L122-L129 HydrophobicContact CD2-CD2 4.13Å; L122-L129 WeakPolarHBondContact O-CD1 3.15Å; L122-L602 HydrophobicContact CD2-CD1 3.49Å; L122-L602 VanDerWaalsContact CD2-CD1 3.49Å; L122-L602 HydrophobicContact CD2-CD2 4.37Å; L122-L602 HydrophobicContact CD2-CG 3.69Å; L122-L602 HydrophobicContact CG-CD1 3.68Å; L122-L602 HydrophobicContact CG-CG 4.42Å; L122-Q605 HydrophobicContact CD1-CB 4.21Å; L122-F606 HydrophobicContact CD1-CB 4.16Å; L122-F606 HydrophobicContact CD2-CB 3.65Å; L122-F606 HydrophobicContact CD2-CD2 4.11Å; L122-F606 HydrophobicContact CD2-CG 4.21Å
123	E	68.7	Low	69.4	Low	119 Å²	119	76 Å²	76	56%	0.556	39%	0.385	S	S	*	.	H	α-helix	trans	-63.5	-41.7	174.4	-76.2	-179.1	165.8	0	0	111.6	I119 R126	I119-E123 WeakPolarHBondContact O-CG 3.34Å; I119-E123 PolarHBondContact O-N 3.01Å; E123-R126 VanDerWaalsContact O-CB 3.26Å; E123-R126 WeakPolarHBondContact O-CB 3.49Å; E123-R126 PolarHBondContact O-N 3.29Å
124	F	66.7	Low	70.9	Confident	108 Å²	108	77.5 Å²	77.5	47%	0.474	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-39.9	173.6	-178.3	-101.5	0	0	0	113	V104 A120 Q121 R126	V104-F124 HydrophobicContact CB-CD2 4.23Å; V104-F124 HydrophobicContact CG1-CB 3.65Å; V104-F124 HydrophobicContact CG1-CD2 3.98Å; V104-F124 HydrophobicContact CG1-CG 4.02Å; V104-F124 HydrophobicContact CG2-CB 4.27Å; V104-F124 HydrophobicContact CG2-CD2 4.13Å; A120-F124 PolarHBondContact O-N 3.1Å; A120-F124 VanDerWaalsContact O-N 3.17Å; Q121-F124 PolarHBondContact O-N 3.06Å; F124-R126 VanDerWaalsContact C-N 3.3Å
125	L	72.9	Confident	71.7	Confident	49 Å²	49	76 Å²	76	26%	0.257	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.4	-179.7	-64.2	170.9	0	0	0	113	Q121 L122 P127 L128 L129 L602	Q121-L125 WeakPolarHBondContact O-CB 3.42Å; Q121-L125 VanDerWaalsContact O-CG 3.27Å; Q121-L125 WeakPolarHBondContact O-CG 3.4Å; Q121-L125 PolarHBondContact O-N 3.4Å; L122-L125 CarbonylContact O-C 3.5Å; L122-L125 PolarHBondContact O-N 3.32Å; L125-P127 VanDerWaalsContact C-N 3.32Å; L125-L128 HydrophobicContact CD2-CD1 3.91Å; L125-L128 WeakPolarHBondContact O-CA 3.45Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 2.79Å; L125-L129 PolarHBondContact O-N 3.04Å; L125-L602 HydrophobicContact CD1-CD2 3.34Å
126	R	70.6	Confident	72	Confident	159 Å²	159	77.5 Å²	77.5	60%	0.6	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-53.2	-37.7	-173.5	-166.5	162.1	-173.2	168.4	-0.5	114.7	L122 E123 F124 L128 L129	L122-R126 WeakPolarHBondContact O-CA 3.48Å; L122-R126 PolarHBondContact O-N 3.22Å; E123-R126 VanDerWaalsContact O-CB 3.26Å; E123-R126 WeakPolarHBondContact O-CB 3.49Å; E123-R126 PolarHBondContact O-N 3.29Å; F124-R126 VanDerWaalsContact C-N 3.3Å; R126-L128 PolarHBondContact O-N 3.17Å; R126-L129 PolarHBondContact O-N 2.85Å
127	P	65.5	Low	72	Confident	119 Å²	119	75.2 Å²	75.2	77%	0.773	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.2	173.5	-21.4	34	0	0	0	114.5	L125	L125-P127 VanDerWaalsContact C-N 3.32Å
128	L	68.7	Low	71.2	Confident	144 Å²	144	76.5 Å²	76.5	75%	0.754	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-100	-10.8	-179.5	-58.5	173.3	0	0	0	113	L125 R126	L125-L128 HydrophobicContact CD2-CD1 3.91Å; L125-L128 WeakPolarHBondContact O-CA 3.45Å; L125-L128 WeakPolarHBondContact O-CB 3.39Å; L125-L128 PolarHBondContact O-N 2.79Å; R126-L128 PolarHBondContact O-N 3.17Å
129	L	76	Confident	70.3	Confident	40 Å²	40	79 Å²	79	21%	0.209	39%	0.385	C	S	.	.	S	Bend	trans	-79.9	150.5	179.8	-67.6	174	0	0	0	111.1	L122 L125 R126 F606	L122-L129 HydrophobicContact CB-CD1 4.24Å; L122-L129 HydrophobicContact CD2-CD1 3.76Å; L122-L129 HydrophobicContact CD2-CD2 4.13Å; L122-L129 WeakPolarHBondContact O-CD1 3.15Å; L125-L129 PolarHBondContact O-N 3.04Å; R126-L129 PolarHBondContact O-N 2.85Å; L129-F606 HydrophobicContact CB-CE2 4.07Å; L129-F606 HydrophobicContact CB-CZ 4.05Å; L129-F606 HydrophobicContact CD1-CD2 3.66Å; L129-F606 HydrophobicContact CD1-CE2 3.68Å; L129-F606 HydrophobicContact CD1-CG 4.43Å; L129-F606 HydrophobicContact CD1-CZ 4.46Å; L129-F606 HydrophobicContact CD2-CD1 4.49Å; L129-F606 HydrophobicContact CD2-CD2 4.28Å; L129-F606 HydrophobicContact CD2-CE2 4.49Å; L129-F606 HydrophobicContact CD2-CG 4.26Å; L129-F606 HydrophobicContact CG-CD2 4.42Å; L129-F606 HydrophobicContact CG-CE2 4.29Å
130	P	80.8	Confident	69.4	Low	19 Å²	19	80.3 Å²	80.3	12%	0.123	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-69.1	150.9	-178.6	29.8	-35.4	0	0	0	112.4	F606 Y692 K697 L699	P130-F606 HydrophobicContact CG-CE1 3.66Å; P130-F606 HydrophobicContact CG-CZ 4.22Å; P130-Y692 HydrophobicContact CB-CD2 4.21Å; P130-Y692 HydrophobicContact CB-CE2 3.5Å; P130-Y692 VanDerWaalsContact CB-CE2 3.5Å; P130-Y692 HydrophobicContact CG-CD2 4.32Å; P130-Y692 HydrophobicContact CG-CE2 3.85Å; P130-K697 CarbonylContact C-O 3.59Å; P130-K697 WeakPolarHBondContact CA-O 3.42Å; P130-K697 HydrophobicContact CB-CB 4.41Å; P130-K697 WeakPolarHBondContact CB-O 3.35Å; P130-L699 HydrophobicContact CG-CB 4.26Å
131	E	84.5	Confident	68.5	Low	115 Å²	115	86.5 Å²	86.5	54%	0.537	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.1	173.1	-173.3	-164	162.6	0	0	109.5	K133 K697 V698 L699	E131-K133 VanDerWaalsContact CD-CE 3.43Å; E131-K133 WeakPolarHBondContact OE1-CE 3.21Å; E131-K133 IonicContact OE1-NZ 3.75Å; E131-K133 IonicContact OE2-NZ 2.82Å; E131-K697 PolarHBondContact N-O 3.06Å; E131-V698 HydrophobicContact CB-CG2 4.35Å; E131-V698 CarbonylContact O-C 3.49Å; E131-V698 VanDerWaalsContact O-CA 3.27Å; E131-V698 WeakPolarHBondContact O-CA 3.22Å; E131-L699 PolarHBondContact O-N 2.81Å
132	V	87.4	Confident	67.1	Low	42 Å²	42	89.4 Å²	89.4	26%	0.255	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.8	-179.2	-177.3	0	0	0	0	110	V134 F606 E610 L699 I701	V132-V134 HydrophobicContact CG1-CG2 4.41Å; V132-F606 HydrophobicContact CG2-CZ 3.85Å; V132-E610 HydrophobicContact CG1-CB 4.47Å; V132-E610 HydrophobicContact CG2-CB 4.38Å; V132-E610 HydrophobicContact CG2-CG 3.84Å; V132-L699 CarbonylContact C-O 3.31Å; V132-L699 WeakPolarHBondContact CA-O 3.14Å; V132-L699 HydrophobicContact CG2-CB 4.36Å; V132-L699 HydrophobicContact CG2-CD2 4.29Å; V132-I701 HydrophobicContact CG1-CD1 3.82Å; V132-I701 HydrophobicContact CG1-CG1 4.39Å
133	K	86.4	Confident	66.1	Low	94 Å²	94	93.5 Å²	93.5	41%	0.409	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122	172.8	-67.3	-170.4	-173.9	178.3	0	109.9	E131 V698 L699 L700 I701	E131-K133 VanDerWaalsContact CD-CE 3.43Å; E131-K133 WeakPolarHBondContact OE1-CE 3.21Å; E131-K133 IonicContact OE1-NZ 3.75Å; E131-K133 IonicContact OE2-NZ 2.82Å; K133-V698 HydrophobicContact CB-CG1 4Å; K133-V698 HydrophobicContact CD-CG1 3.79Å; K133-V698 HydrophobicContact CG-CG1 3.76Å; K133-L699 PolarHBondContact N-O 2.9Å; K133-L700 CarbonylContact O-C 3.6Å; K133-L700 WeakPolarHBondContact O-CA 3.4Å; K133-I701 PolarHBondContact O-N 2.75Å
134	V	82.8	Confident	64.5	Low	74 Å²	74	93.4 Å²	93.4	45%	0.448	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.9	175.6	-175.2	0	0	0	0	108.3	V132 A614 I701 L703	V132-V134 HydrophobicContact CG1-CG2 4.41Å; V134-A614 HydrophobicContact CG1-CB 4.27Å; V134-A614 HydrophobicContact CG2-CB 3.87Å; V134-I701 WeakPolarHBondContact CA-O 3.45Å; V134-I701 HydrophobicContact CG2-CB 4.41Å; V134-L703 HydrophobicContact CG1-CD1 3.73Å; V134-L703 HydrophobicContact CG1-CG 3.82Å
135	V	77.5	Confident	63.2	Low	60 Å²	60	95.4 Å²	95.4	36%	0.364	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.2	178.3	-64.4	0	0	0	0	111.4	L700 I701 D702 L703	V135-L700 HydrophobicContact CG1-CD1 3.71Å; V135-L700 HydrophobicContact CG1-CG 4.45Å; V135-L700 HydrophobicContact CG2-CD1 4.04Å; V135-L700 HydrophobicContact CG2-CD2 3.96Å; V135-L700 HydrophobicContact CG2-CG 3.96Å; V135-I701 PolarHBondContact N-O 2.02Å; V135-D702 HydrophobicContact CG2-CB 4Å; V135-L703 PolarHBondContact O-N 3.42Å
136	Q	65.3	Low	61.4	Low	99 Å²	99	103.3 Å²	103.3	46%	0.463	52%	0.518	S	S	.	.			trans	-148.4	134.3	178.1	-170.4	-172.2	-14.3	0	0	109.1
137	R	58.8	Low	60.1	Low	85 Å²	85	102.1 Å²	102.1	32%	0.321	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-72.6	145.5	-179.5	-62.5	178.5	-175.5	-173.2	-4.2	111.9	D704	R137-D704 VanDerWaalsContact CB-OD2 3.3Å; R137-D704 WeakPolarHBondContact CB-OD2 3.37Å; R137-D704 WeakPolarHBondContact CG-OD2 3.34Å; R137-D704 PolarHBondContact N-OD2 2.85Å
138	Q	49.6	Very low	59.2	Low	125 Å²	125	99.2 Å²	99.2	58%	0.584	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-98.3	126.2	172	-70.9	-172.6	-19.1	0	0	109.7
139	Y	45.8	Very low	58.1	Low	62 Å²	62	95.9 Å²	95.9	24%	0.243	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	140.8	174.9	-98.7	-103.1	0	0	0	111.8	E336 E337 Y725	Y139-E336 HydrophobicContact CE1-CG 4.17Å; Y139-E336 PolarHBondContact OH-OE1 3.4Å; Y139-E337 HydrophobicContact CE2-CG 4.35Å; Y139-Y725 WeakPolarHBondContact OH-CE2 3.02Å; Y139-Y725 PolarHBondContact OH-OH 2.77Å; Y139-Y725 VanDerWaalsContact OH-OH 3.11Å
140	G	46.2	Very low	56.9	Low	58 Å²	58	99.2 Å²	99.2	60%	0.598	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	8.3	172.5	0	0	0	0	0	116.1	E337	G140-E337 PolarHBondContact N-O 2.93Å
141	K	45.4	Very low	55.4	Low	134 Å²	134	99.3 Å²	99.3	58%	0.583	52%	0.519	S	S	*	.			trans	-113.1	130.8	171.2	-75.9	-177.7	178.3	168.9	0	110.6
142	E	40.9	Very low	54.6	Low	163 Å²	163	99.4 Å²	99.4	76%	0.762	53%	0.528	S	S	*	.			trans	-67.7	131	173.9	-146.7	170.4	-151.4	0	0	109.9
143	H	48.2	Very low	54.1	Low	96 Å²	96	98.3 Å²	98.3	44%	0.444	53%	0.525	S	S	.	.			trans	-82.4	122.9	-178.3	-90.8	-75.6	0	0	0	111.3
144	S	35.6	Very low	53.7	Low	117 Å²	117	95 Å²	95	82%	0.818	51%	0.513	S	S	*	.			trans	-97.5	72.5	168.9	55.6	0	0	0	0	111.1	K146	S144-K146 PolarHBondContact O-N 3.26Å
145	F	39	Very low	53.3	Low	150 Å²	150	95.9 Å²	95.9	66%	0.658	52%	0.519	S	S	*	.			trans	-66.5	121.7	154.8	-84.6	-82.9	0	0	0	106.8	K147	F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 WeakPolarHBondContact O-CG 3.35Å; F145-K147 PolarHBondContact O-N 3.33Å
146	K	35	Very low	53.2	Low	214 Å²	214	96.5 Å²	96.5	93%	0.93	52%	0.517	S	S	*	.			trans	-56.7	102.3	170.1	-83.8	-172	176.4	-177.3	0	107.3	S144 S148	S144-K146 PolarHBondContact O-N 3.26Å; K146-S148 PolarHBondContact O-N 3.43Å
147	K	43.7	Very low	53.6	Low	135 Å²	135	92.9 Å²	92.9	59%	0.587	50%	0.502	S	S	*	.			trans	-68.3	114.6	-178.4	-62.7	-175.3	-177.2	169.9	0	108.1	F145 A149 S563	F145-K147 VanDerWaalsContact C-N 3.34Å; F145-K147 WeakPolarHBondContact O-CG 3.35Å; F145-K147 PolarHBondContact O-N 3.33Å; K147-A149 PolarHBondContact O-N 3.45Å; K147-S563 WeakPolarHBondContact CD-O 3.35Å; K147-S563 WeakPolarHBondContact CE-O 3.35Å; K147-S563 PolarHBondContact NZ-O 3.41Å
148	S	45.3	Very low	54.3	Low	58 Å²	58	91.5 Å²	91.5	41%	0.406	50%	0.503	S	S	.	.			trans	-67.5	126.2	166.2	168.1	0	0	0	0	108.1	K146 T150 N581	K146-S148 PolarHBondContact O-N 3.43Å; S148-T150 PolarHBondContact O-N 3.1Å; S148-T150 PolarHBondContact OG-N 3.23Å; S148-T150 PolarHBondContact OG-O 2.95Å; S148-T150 PolarHBondContact OG-OG1 3.38Å; S148-N581 PolarHBondContact O-ND2 3.43Å; S148-N581 VanDerWaalsContact O-ND2 3.1Å
149	A	45.4	Very low	55.7	Low	74 Å²	74	86.5 Å²	86.5	61%	0.612	48%	0.48	S	S	*	.	S	Bend	trans	-69.1	-5.5	169.2	0	0	0	0	0	112.7	K147	K147-A149 PolarHBondContact O-N 3.45Å
150	T	50.9	Low	57.3	Low	110 Å²	110	85.2 Å²	85.2	68%	0.675	48%	0.477	S	S	*	.			trans	-107.6	133.4	176.1	65.2	0	0	0	0	110.3	S148	S148-T150 PolarHBondContact O-N 3.1Å; S148-T150 PolarHBondContact OG-N 3.23Å; S148-T150 PolarHBondContact OG-O 2.95Å; S148-T150 PolarHBondContact OG-OG1 3.38Å
151	G	50.7	Low	59.3	Low	20 Å²	20	85.1 Å²	85.1	21%	0.206	46%	0.462	C	S	.	.			trans	-121.4	155.1	177.6	0	0	0	0	0	111.9	S576 N581	G151-S576 CarbonylContact C-O 3.54Å; G151-S576 WeakPolarHBondContact CA-O 3.46Å; G151-N581 WeakPolarHBondContact CA-OD1 3.46Å
152	T	67.9	Low	61.2	Low	118 Å²	118	82.8 Å²	82.8	72%	0.724	46%	0.456	S	S	*	.			trans	-97.1	-6.6	-176.6	56.2	0	0	0	0	114.6	S576 D578	T152-S576 PolarHBondContact N-O 2.85Å; T152-D578 PolarHBondContact N-OD2 3.01Å; T152-D578 PolarHBondContact OG1-OD2 2.99Å
153	G	74.9	Confident	63.2	Low	19 Å²	19	76.4 Å²	76.4	20%	0.196	43%	0.427	C	S	.	.			trans	81.8	159.1	-175.1	0	0	0	0	0	113.9	S576 R577	G153-S576 WeakPolarHBondContact CA-O 3.36Å; G153-S576 PolarHBondContact N-O 2.66Å; G153-R577 CarbonylContact C-O 3.53Å; G153-R577 WeakPolarHBondContact CA-O 3.47Å
154	C	79.4	Confident	64.8	Low	24 Å²	24	76.7 Å²	76.7	16%	0.162	44%	0.44	C	S	.	.			trans	-113	130.5	174.3	178.4	0	0	0	0	110.8	M315 L538 R577 C591	C154-M315 HydrophobicContact CB-CE 4.01Å; C154-M315 VanDerWaalsContact SG-CE 3.56Å; C154-L538 HydrophobicContact CB-CB 3.92Å; C154-L538 HydrophobicContact CB-CD2 4Å; C154-L538 HydrophobicContact CB-CG 4.42Å; C154-R577 PolarHBondContact N-O 3.21Å; C154-C591 HydrophobicContact CB-CB 3.92Å; C154-C591 WeakPolarHBondContact CB-SG 3.42Å; C154-C591 WeakPolarHBondContact SG-CB 3.41Å; C154-C591 CovalentContact SG-SG 2.03Å; C154-C591 PolarHBondContact SG-SG 3.37Å
155	V	73.2	Confident	66.9	Low	93 Å²	93	75.8 Å²	75.8	56%	0.564	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-90	125.1	173.4	-178.5	0	0	0	0	109.2
156	K	76.9	Confident	69	Low	72 Å²	72	68.6 Å²	68.6	31%	0.313	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-55.8	123.3	177.1	-174	171.5	-179.5	178.3	0	111.3	E314 M315 N536	K156-E314 WeakPolarHBondContact CE-OE2 3.29Å; K156-E314 VanDerWaalsContact NZ-CD 3.3Å; K156-E314 IonicContact NZ-OE1 2.74Å; K156-E314 IonicContact NZ-OE2 3.19Å; K156-E314 PolarHBondContact NZ-OE2 2.75Å; K156-M315 HydrophobicContact CB-CE 4.13Å; K156-M315 HydrophobicContact CB-CG 4Å; K156-M315 HydrophobicContact CB-SD 3.69Å; K156-M315 HydrophobicContact CD-CG 3.99Å; K156-M315 HydrophobicContact CD-SD 4.26Å; K156-M315 HydrophobicContact CG-CG 3.72Å; K156-M315 HydrophobicContact CG-SD 4.08Å; K156-N536 PolarHBondContact NZ-OD1 3.37Å; K156-N536 VanDerWaalsContact NZ-OD1 3.1Å
157	P	72.4	Confident	71.6	Confident	24 Å²	24	61.6 Å²	61.6	16%	0.156	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-65.3	149.4	174.7	27.6	-33.3	0	0	0	110.4	L505	P157-L505 HydrophobicContact CB-CD1 4.35Å; P157-L505 HydrophobicContact CB-CD2 4.42Å
158	T	73.3	Confident	73.7	Confident	56 Å²	56	60.2 Å²	60.2	34%	0.344	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-94	126.3	174.6	-49.6	0	0	0	0	108.4	K1325 D1327	T158-K1325 HydrophobicContact CG2-CB 4.17Å; T158-K1325 HydrophobicContact CG2-CD 3.69Å; T158-K1325 HydrophobicContact CG2-CG 4.07Å; T158-K1325 WeakPolarHBondContact OG1-CD 3.23Å; T158-K1325 WeakPolarHBondContact OG1-CE 3.36Å; T158-K1325 PolarHBondContact OG1-NZ 3.39Å; T158-D1327 WeakPolarHBondContact CG2-OD2 3.21Å
159	Q	79.1	Confident	75.6	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.093	36%	0.361	C	S	.	.			trans	-134.5	120.5	178.9	-64	174.8	-70.7	0	0	107.2	M291 L505	Q159-M291 HydrophobicContact CB-CE 3.87Å; Q159-M291 HydrophobicContact CB-CG 3.87Å; Q159-M291 HydrophobicContact CB-SD 4.06Å; Q159-L505 HydrophobicContact CG-CB 4.4Å
160	N	80.8	Confident	77.7	Confident	35 Å²	35	57.8 Å²	57.8	19%	0.187	34%	0.339	C	S	.	.			trans	-89.3	125.1	-179.6	-172	-25.9	0	0	0	109.3	N162 D163 Q502 D1327	N160-N162 PolarHBondContact O-N 3.25Å; N160-N162 VanDerWaalsContact O-N 3.13Å; N160-N162 PolarHBondContact OD1-N 2.87Å; N160-D163 HydrophobicContact CB-CB 4.29Å; N160-D163 PolarHBondContact O-N 3.35Å; N160-Q502 PolarHBondContact O-NE2 3.47Å; N160-Q502 PolarHBondContact O-OE1 3.27Å; N160-D1327 WeakPolarHBondContact CB-OD1 3.04Å; N160-D1327 PolarHBondContact ND2-OD1 3.36Å
161	I	87.3	Confident	79.6	Confident	56 Å²	56	58 Å²	58	29%	0.287	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.4	176.9	-166.1	171.6	0	0	0	112.3	M291 M294 R295	I161-M291 HydrophobicContact CB-SD 4.23Å; I161-M294 HydrophobicContact CD1-CB 3.85Å; I161-M294 HydrophobicContact CD1-CE 4.31Å; I161-R295 HydrophobicContact CD1-CG 4.31Å; I161-R295 HydrophobicContact CG1-CG 3.68Å; I161-R295 WeakPolarHBondContact O-CD 3.33Å; I161-R295 PolarHBondContact O-NH1 2.64Å; I161-R295 VanDerWaalsContact O-NH1 3.1Å
162	N	85.4	Confident	81.4	Confident	85 Å²	85	62 Å²	62	46%	0.455	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	38.8	-178	-62.5	-41.1	0	0	0	113.2	N160 S164 M167	N160-N162 PolarHBondContact O-N 3.25Å; N160-N162 VanDerWaalsContact O-N 3.13Å; N160-N162 PolarHBondContact OD1-N 2.87Å; N162-S164 PolarHBondContact O-N 2.77Å; N162-M167 HydrophobicContact CB-CG 4.28Å; N162-M167 HydrophobicContact CB-SD 4.5Å
163	D	83.1	Confident	82.4	Confident	29 Å²	29	58.2 Å²	58.2	16%	0.155	33%	0.334	C	S	.	.			trans	-54.8	133.7	178.2	179	-82.6	0	0	0	113.2	N160 E165 I166 M167 Q502	N160-D163 HydrophobicContact CB-CB 4.29Å; N160-D163 PolarHBondContact O-N 3.35Å; D163-E165 VanDerWaalsContact C-N 3.3Å; D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 WeakPolarHBondContact OD1-CA 3.41Å; D163-E165 WeakPolarHBondContact OD1-CB 3.35Å; D163-E165 PolarHBondContact OD1-N 3Å; D163-I166 HydrophobicContact CB-CB 4.31Å; D163-I166 HydrophobicContact CB-CG1 4.44Å; D163-I166 PolarHBondContact O-N 3.13Å; D163-I166 PolarHBondContact OD1-N 2.85Å; D163-I166 VanDerWaalsContact OD1-N 3.16Å; D163-M167 WeakPolarHBondContact O-CB 3.26Å; D163-M167 VanDerWaalsContact O-CG 3.25Å; D163-M167 WeakPolarHBondContact O-CG 3.38Å; D163-M167 PolarHBondContact O-N 3.15Å; D163-Q502 PolarHBondContact OD2-OE1 2.98Å
164	S	81.2	Confident	82.9	Confident	102 Å²	102	61 Å²	61	71%	0.713	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.1	-174	53.5	0	0	0	0	114.7	N162 P168	N162-S164 PolarHBondContact O-N 2.77Å; S164-P168 WeakPolarHBondContact O-CD 3.09Å
165	E	79.2	Confident	83.2	Confident	97 Å²	97	65 Å²	65	45%	0.453	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-30.1	175.4	-60.4	-178	-176.7	0	0	111.3	D163 T500 K501	D163-E165 VanDerWaalsContact C-N 3.3Å; D163-E165 PolarHBondContact O-N 3.43Å; D163-E165 WeakPolarHBondContact OD1-CA 3.41Å; D163-E165 WeakPolarHBondContact OD1-CB 3.35Å; D163-E165 PolarHBondContact OD1-N 3Å; E165-T500 HydrophobicContact CB-CG2 3.76Å; E165-T500 WeakPolarHBondContact OE2-CA 3.18Å; E165-T500 VanDerWaalsContact OE2-CB 3.25Å; E165-T500 WeakPolarHBondContact OE2-CB 3.3Å; E165-K501 PolarHBondContact OE2-N 3.09Å
166	I	84	Confident	83.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-43	-176.6	-65.4	-176.1	0	0	0	112.2	D163 P168 L169 I170 V497 T500 Q502 E506	D163-I166 HydrophobicContact CB-CB 4.31Å; D163-I166 HydrophobicContact CB-CG1 4.44Å; D163-I166 PolarHBondContact O-N 3.13Å; D163-I166 PolarHBondContact OD1-N 2.85Å; D163-I166 VanDerWaalsContact OD1-N 3.16Å; I166-P168 VanDerWaalsContact C-CD 3.43Å; I166-L169 WeakPolarHBondContact O-CA 3.39Å; I166-L169 VanDerWaalsContact O-CB 3.26Å; I166-L169 WeakPolarHBondContact O-CB 3.09Å; I166-L169 PolarHBondContact O-N 2.95Å; I166-I170 HydrophobicContact CG2-CD1 3.77Å; I166-I170 HydrophobicContact CG2-CG1 3.85Å; I166-I170 PolarHBondContact O-N 3.24Å; I166-V497 HydrophobicContact CD1-CG1 3.94Å; I166-V497 HydrophobicContact CG1-CG1 4.13Å; I166-V497 HydrophobicContact CG2-CG1 4.38Å; I166-V497 HydrophobicContact CG2-CG2 4.26Å; I166-T500 HydrophobicContact CG1-CG2 4.38Å; I166-Q502 HydrophobicContact CD1-CB 3.73Å; I166-Q502 HydrophobicContact CD1-CG 3.62Å; I166-Q502 HydrophobicContact CG1-CB 4.47Å; I166-E506 WeakPolarHBondContact CD1-OE1 3.48Å
167	M	89.8	Confident	84.3	Confident	66 Å²	66	69.4 Å²	69.4	33%	0.325	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-56.1	-36.6	-171.8	-73	-54	-63.8	0	0	115.3	N162 D163 L169 I170	N162-M167 HydrophobicContact CB-CG 4.28Å; N162-M167 HydrophobicContact CB-SD 4.5Å; D163-M167 WeakPolarHBondContact O-CB 3.26Å; D163-M167 VanDerWaalsContact O-CG 3.25Å; D163-M167 WeakPolarHBondContact O-CG 3.38Å; D163-M167 PolarHBondContact O-N 3.15Å; M167-L169 PolarHBondContact O-N 2.05Å; M167-L169 VanDerWaalsContact O-N 3.13Å; M167-I170 HydrophobicContact CE-CB 4.48Å; M167-I170 PolarHBondContact O-N 3.47Å; M167-I170 HydrophobicContact SD-CB 4.46Å; M167-I170 HydrophobicContact SD-CG1 4.14Å
168	P	87.1	Confident	85.1	Confident	106 Å²	106	69.5 Å²	69.5	69%	0.688	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-61.1	-19	173.1	-24.5	35.4	0	0	0	114.4	S164 I166	S164-P168 WeakPolarHBondContact O-CD 3.09Å; I166-P168 VanDerWaalsContact C-CD 3.43Å
169	L	86.5	Confident	85.7	Confident	51 Å²	51	69.3 Å²	69.3	27%	0.267	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-92.8	-11.4	178.3	-51	173.2	0	0	0	112.2	I166 M167 H171 N457 V497 T500	I166-L169 WeakPolarHBondContact O-CA 3.39Å; I166-L169 VanDerWaalsContact O-CB 3.26Å; I166-L169 WeakPolarHBondContact O-CB 3.09Å; I166-L169 PolarHBondContact O-N 2.95Å; M167-L169 PolarHBondContact O-N 2.05Å; M167-L169 VanDerWaalsContact O-N 3.13Å; L169-H171 PolarHBondContact O-ND1 3.34Å; L169-N457 PolarHBondContact O-ND2 3.2Å; L169-N457 VanDerWaalsContact O-ND2 3.15Å; L169-V497 HydrophobicContact CB-CG2 3.98Å; L169-V497 HydrophobicContact CD1-CB 4.39Å; L169-V497 HydrophobicContact CD1-CG2 3.65Å; L169-V497 HydrophobicContact CG-CG2 4.47Å; L169-T500 HydrophobicContact CD1-CG2 4.31Å
170	I	89.6	Confident	85.8	Confident	30 Å²	30	76.6 Å²	76.6	15%	0.154	44%	0.436	C	S	.	.			trans	-93.6	121.8	179.9	-52.3	-54.3	0	0	0	109.6	I166 M167 L456	I166-I170 HydrophobicContact CG2-CD1 3.77Å; I166-I170 HydrophobicContact CG2-CG1 3.85Å; I166-I170 PolarHBondContact O-N 3.24Å; M167-I170 HydrophobicContact CE-CB 4.48Å; M167-I170 PolarHBondContact O-N 3.47Å; M167-I170 HydrophobicContact SD-CB 4.46Å; M167-I170 HydrophobicContact SD-CG1 4.14Å; I170-L456 HydrophobicContact CD1-CD1 3.31Å
171	H	89.1	Confident	86	Confident	114 Å²	114	82.5 Å²	82.5	53%	0.528	46%	0.46	S	S	.	.			trans	-146.6	152.8	176.2	55.2	-88.4	0	0	0	110.3	L169 K296 N457	L169-H171 PolarHBondContact O-ND1 3.34Å; H171-K296 PolarHBondContact O-NZ 3.1Å; H171-N457 PolarHBondContact CE1-ND2 3.37Å; H171-N457 PolarHBondContact N-OD1 3.17Å; H171-N457 VanDerWaalsContact N-OD1 3.1Å; H171-N457 PolarHBondContact ND1-ND2 2.81Å; H171-N457 VanDerWaalsContact O-CG 3.32Å; H171-N457 PolarHBondContact O-OD1 3.13Å; H171-N457 VanDerWaalsContact O-OD1 3.05Å
172	S	89.1	Confident	85.9	Confident	104 Å²	104	81.8 Å²	81.8	73%	0.727	46%	0.46	S	S	*	.			trans	-72.8	149.5	173.9	-68.9	0	0	0	0	111.6	E460	S172-E460 WeakPolarHBondContact CA-OE1 3.37Å
173	V	89.1	Confident	86.1	Confident	39 Å²	39	77.9 Å²	77.9	24%	0.236	44%	0.439	C	S	.	.			trans	-107.7	143.2	178.7	-176.2	0	0	0	0	108	N457 E458 E460	V173-N457 HydrophobicContact CG2-CB 3.7Å; V173-N457 WeakPolarHBondContact CG2-O 3.33Å; V173-E458 HydrophobicContact CG1-CG 4.28Å; V173-E458 HydrophobicContact CG2-CG 4.3Å; V173-E460 WeakPolarHBondContact CA-OE1 3.13Å; V173-E460 HydrophobicContact CB-CG 4.37Å; V173-E460 PolarHBondContact N-OE1 2.81Å
174	A	86.2	Confident	86.5	Confident	78 Å²	78	77.5 Å²	77.5	65%	0.645	44%	0.436	S	S	*	.			trans	-64.1	143.3	175.7	0	0	0	0	0	110.6	L176	A174-L176 PolarHBondContact O-N 2.98Å
175	P	85	Confident	87	Confident	108 Å²	108	72.7 Å²	72.7	70%	0.701	40%	0.402	S	S	*	.			trans	-53.4	139.1	175.5	-26.1	34	0	0	0	112.2	K177	P175-K177 PolarHBondContact O-N 3.23Å
176	L	87.9	Confident	87.6	Confident	59 Å²	59	69 Å²	69	31%	0.309	39%	0.386	S	S	.	.			trans	-64.1	115.6	177.2	-179.8	66.3	0	0	0	110	A174 C178 A414 F451 L461	A174-L176 PolarHBondContact O-N 2.98Å; L176-C178 PolarHBondContact O-N 3.43Å; L176-A414 HydrophobicContact CD1-CB 4.09Å; L176-A414 HydrophobicContact CD2-CB 4.32Å; L176-F451 HydrophobicContact CD2-CE1 4.46Å; L176-F451 HydrophobicContact CD2-CZ 3.94Å; L176-L461 HydrophobicContact CB-CD1 4.31Å; L176-L461 HydrophobicContact CB-CD2 4.41Å
177	K	84.8	Confident	88	Confident	198 Å²	198	69.2 Å²	69.2	86%	0.861	39%	0.388	S	S	*	.			trans	-88.1	95.8	175.8	-66.3	-173	178.9	-175.5	0	110.4	P175	P175-K177 PolarHBondContact O-N 3.23Å
178	C	90.5	Very high	88.1	Confident	26 Å²	26	70 Å²	70	18%	0.176	39%	0.387	C	S	.	.			trans	-82.6	179.8	165.2	-62	0	0	0	0	110.7	L176 D180 C415 G417	L176-C178 PolarHBondContact O-N 3.43Å; C178-D180 PolarHBondContact O-N 2.76Å; C178-C415 WeakPolarHBondContact CA-SG 3.47Å; C178-C415 HydrophobicContact CB-CB 3.75Å; C178-C415 WeakPolarHBondContact CB-SG 3.46Å; C178-C415 WeakPolarHBondContact SG-CB 3.19Å; C178-C415 CovalentContact SG-SG 2.05Å; C178-C415 PolarHBondContact SG-SG 3.07Å; C178-G417 WeakPolarHBondContact CB-O 3.3Å
179	S	86	Confident	88.3	Confident	53 Å²	53	68.9 Å²	68.9	37%	0.371	38%	0.375	S	S	.	.			trans	-62.3	127.9	-179	168.8	0	0	0	0	111.5	K181 G417 S418	S179-K181 PolarHBondContact O-N 2.8Å; S179-K181 WeakPolarHBondContact OG-CB 3.18Å; S179-K181 PolarHBondContact OG-N 3Å; S179-K181 VanDerWaalsContact OG-N 3.15Å; S179-K181 PolarHBondContact OG-O 3.14Å; S179-G417 WeakPolarHBondContact CB-O 3.44Å; S179-G417 PolarHBondContact N-O 2.7Å; S179-S418 WeakPolarHBondContact O-CA 3.42Å; S179-S418 WeakPolarHBondContact O-CB 3.21Å
180	D	81.1	Confident	88.6	Confident	172 Å²	172	66.8 Å²	66.8	92%	0.92	37%	0.366	S	S	*	.	S	Bend	trans	-64.3	-20.3	172.6	-59.2	-44	0	0	0	112.5	C178 S182	C178-D180 PolarHBondContact O-N 2.76Å; D180-S182 PolarHBondContact O-N 2.8Å
181	K	83.5	Confident	88.8	Confident	159 Å²	159	69.6 Å²	69.6	69%	0.691	38%	0.377	S	S	*	.	S	Bend	trans	-77.7	119.6	175.9	-60.1	176.7	-178.3	170.8	0	109.7	S179 S418	S179-K181 PolarHBondContact O-N 2.8Å; S179-K181 WeakPolarHBondContact OG-CB 3.18Å; S179-K181 PolarHBondContact OG-N 3Å; S179-K181 VanDerWaalsContact OG-N 3.15Å; S179-K181 PolarHBondContact OG-O 3.14Å; K181-S418 WeakPolarHBondContact O-CB 3.4Å
182	S	84.9	Confident	89	Confident	42 Å²	42	64.1 Å²	64.1	29%	0.294	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-52.7	142.3	173.2	-173.7	0	0	0	0	111.5	D180 W184	D180-S182 PolarHBondContact O-N 2.8Å; S182-W184 PolarHBondContact O-N 3.03Å
183	N	91.2	Very high	89.2	Confident	2 Å²	2	62 Å²	62	1%	0.011	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-60.5	131.4	174.1	-69.5	-11.4	0	0	0	109.9	F185 K195 Y251 N253 F416 G417 S418 E419	N183-F185 WeakPolarHBondContact CB-O 3.43Å; N183-F185 PolarHBondContact O-N 3.29Å; N183-K195 WeakPolarHBondContact O-CD 3.19Å; N183-Y251 HydrophobicContact CB-CE2 4.48Å; N183-N253 PolarHBondContact ND2-ND2 3.09Å; N183-N253 PolarHBondContact OD1-ND2 3.27Å; N183-F416 PolarHBondContact ND2-O 2.71Å; N183-F416 PolarHBondContact OD1-O 3.09Å; N183-G417 WeakPolarHBondContact OD1-CA 3.46Å; N183-S418 VanDerWaalsContact CG-OG 3.27Å; N183-S418 PolarHBondContact N-OG 2.69Å; N183-S418 VanDerWaalsContact N-OG 3.12Å; N183-S418 PolarHBondContact OD1-N 3.38Å; N183-S418 PolarHBondContact OD1-OG 2.77Å; N183-S418 VanDerWaalsContact OD1-OG 3.07Å; N183-E419 PolarHBondContact ND2-OE2 3.15Å
184	W	90.5	Very high	89.2	Confident	22 Å²	22	62.6 Å²	62.6	8%	0.083	33%	0.332	C	S	.	.	S	Bend	trans	-64.7	-26.4	-178.7	-67	7.9	0	0	0	112.2	S182 K195 A198 P200 I205 C243 A245 Y251	S182-W184 PolarHBondContact O-N 3.03Å; W184-K195 PolarHBondContact O-N 2.85Å; W184-A198 PolarHBondContact NE1-O 2.69Å; W184-P200 HydrophobicContact CZ2-CG 4.37Å; W184-I205 HydrophobicContact CZ3-CG2 4.15Å; W184-C243 HydrophobicContact CE3-CB 3.75Å; W184-C243 HydrophobicContact CZ3-CB 3.58Å; W184-A245 HydrophobicContact CH2-CB 3.66Å; W184-A245 HydrophobicContact CZ3-CB 4.11Å; W184-Y251 HydrophobicContact CB-CD1 4.1Å; W184-Y251 HydrophobicContact CB-CD2 4.14Å; W184-Y251 HydrophobicContact CB-CE1 4.1Å; W184-Y251 HydrophobicContact CB-CE2 4.14Å; W184-Y251 HydrophobicContact CB-CG 4.12Å; W184-Y251 AromaticContact CD1-CD2 3.97Å; W184-Y251 HydrophobicContact CD2-CD1 4.36Å; W184-Y251 HydrophobicContact CD2-CD2 4.05Å; W184-Y251 AromaticContact CD2-CG 3.75Å; W184-Y251 HydrophobicContact CD2-CG 3.75Å; W184-Y251 VanDerWaalsContact CE3-CB 3.48Å; W184-Y251 HydrophobicContact CE3-CD1 4.31Å; W184-Y251 AromaticContact CE3-CG 3.95Å; W184-Y251 HydrophobicContact CE3-CG 3.95Å; W184-Y251 HydrophobicContact CG-CD1 4.3Å; W184-Y251 AromaticContact CG-CD2 3.77Å; W184-Y251 HydrophobicContact CG-CD2 3.77Å; W184-Y251 HydrophobicContact CG-CE2 4.19Å; W184-Y251 AromaticContact CG-CG 3.84Å; W184-Y251 HydrophobicContact CG-CG 3.84Å
185	F	91.7	Very high	89.3	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	154.3	177.5	-68.7	-91.7	0	0	0	110.9	N183 L192 I193 Q194 I205 C207 A228 I241 C243 Y251 H255	N183-F185 WeakPolarHBondContact CB-O 3.43Å; N183-F185 PolarHBondContact O-N 3.29Å; F185-L192 HydrophobicContact CB-CD1 4.04Å; F185-L192 HydrophobicContact CD1-CD1 3.87Å; F185-L192 HydrophobicContact CD1-CD2 3.75Å; F185-L192 HydrophobicContact CD1-CG 3.71Å; F185-L192 HydrophobicContact CE1-CD2 3.9Å; F185-L192 HydrophobicContact CE1-CG 4.29Å; F185-L192 HydrophobicContact CG-CD1 4.29Å; F185-I193 CarbonylContact C-O 3.59Å; F185-I193 WeakPolarHBondContact CA-O 3.46Å; F185-Q194 HydrophobicContact CD1-CB 3.93Å; F185-Q194 HydrophobicContact CD1-CG 4.34Å; F185-Q194 HydrophobicContact CE1-CB 3.62Å; F185-Q194 HydrophobicContact CE1-CG 3.83Å; F185-Q194 HydrophobicContact CZ-CB 4.29Å; F185-Q194 HydrophobicContact CZ-CG 3.98Å; F185-I205 HydrophobicContact CZ-CD1 4.49Å; F185-C207 HydrophobicContact CE2-CB 4.35Å; F185-C207 VanDerWaalsContact CE2-SG 3.52Å; F185-C207 HydrophobicContact CZ-CB 4.3Å; F185-A228 HydrophobicContact CZ-CB 4.47Å; F185-I241 HydrophobicContact CB-CD1 3.89Å; F185-I241 HydrophobicContact CD1-CD1 4.22Å; F185-I241 HydrophobicContact CD2-CD1 4.13Å; F185-I241 HydrophobicContact CD2-CG2 4.09Å; F185-I241 HydrophobicContact CE2-CG2 4.32Å; F185-I241 HydrophobicContact CG-CD1 3.81Å; F185-C243 VanDerWaalsContact CE2-SG 3.59Å; F185-Y251 HydrophobicContact CD2-CE1 4.2Å; F185-H255 PolarHBondContact O-CE1 2.86Å
186	T	91.6	Very high	88.9	Confident	20 Å²	20	63.7 Å²	63.7	12%	0.123	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	169.4	162.6	-173.1	0	0	0	0	108.9	I193	T186-I193 HydrophobicContact CG2-CB 3.81Å; T186-I193 HydrophobicContact CG2-CD1 4.49Å; T186-I193 HydrophobicContact CG2-CG2 4.23Å; T186-I193 PolarHBondContact N-O 3.31Å; T186-I193 PolarHBondContact O-N 3.26Å
187	A	93.3	Very high	88.4	Confident	3 Å²	3	68 Å²	68	3%	0.025	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.1	172.2	0	0	0	0	0	111.8	K191 L234 F239 T257	A187-K191 VanDerWaalsContact CA-O 3.24Å; A187-K191 WeakPolarHBondContact CA-O 3.29Å; A187-K191 WeakPolarHBondContact CB-O 3.31Å; A187-L234 HydrophobicContact CB-CD1 3.87Å; A187-F239 HydrophobicContact CB-CE1 3.91Å; A187-F239 HydrophobicContact CB-CZ 3.6Å; A187-T257 HydrophobicContact CB-CG2 4.04Å
188	R	92.3	Very high	88	Confident	84 Å²	84	59.5 Å²	59.5	32%	0.317	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.1	178.2	-70	-63.6	-177.2	-106.7	8.6	109	G190 K191 I193	R188-G190 VanDerWaalsContact C-N 3.25Å; R188-G190 PolarHBondContact O-N 3.1Å; R188-K191 PolarHBondContact N-O 3.35Å; R188-K191 VanDerWaalsContact N-O 3.09Å; R188-K191 PolarHBondContact O-N 2.74Å; R188-I193 HydrophobicContact CB-CD1 4.2Å
189	N	90.2	Very high	87.1	Confident	81 Å²	81	59.2 Å²	59.2	43%	0.433	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	44.6	176.6	-165.3	18.5	0	0	0	112.9	K191 I258 D431 A435	N189-K191 PolarHBondContact O-N 3.25Å; N189-K191 VanDerWaalsContact O-N 3.16Å; N189-I258 CarbonylContact C-O 3.42Å; N189-D431 PolarHBondContact N-OD1 3.28Å; N189-D431 PolarHBondContact N-OD2 2.79Å; N189-A435 WeakPolarHBondContact OD1-CA 3.25Å; N189-A435 VanDerWaalsContact OD1-CB 3.28Å; N189-A435 WeakPolarHBondContact OD1-CB 3.29Å
190	G	92.3	Very high	86.2	Confident	8 Å²	8	58.2 Å²	58.2	8%	0.082	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	17	180	0	0	0	0	0	114.4	R188 L234 T257 I258	R188-G190 VanDerWaalsContact C-N 3.25Å; R188-G190 PolarHBondContact O-N 3.1Å; G190-L234 WeakPolarHBondContact O-CB 3.36Å; G190-L234 PolarHBondContact O-N 3.45Å; G190-T257 PolarHBondContact N-OG1 3.07Å; G190-I258 WeakPolarHBondContact CA-O 3.5Å; G190-I258 PolarHBondContact N-O 2.69Å
191	K	94.8	Very high	85.2	Confident	88 Å²	88	61.7 Å²	61.7	38%	0.383	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.2	177.8	-64.3	-172.3	179.2	-173.4	0	111.9	A187 R188 N189 N231 M232	A187-K191 VanDerWaalsContact CA-O 3.24Å; A187-K191 WeakPolarHBondContact CA-O 3.29Å; A187-K191 WeakPolarHBondContact CB-O 3.31Å; R188-K191 PolarHBondContact N-O 3.35Å; R188-K191 VanDerWaalsContact N-O 3.09Å; R188-K191 PolarHBondContact O-N 2.74Å; N189-K191 PolarHBondContact O-N 3.25Å; N189-K191 VanDerWaalsContact O-N 3.16Å; K191-N231 WeakPolarHBondContact CD-OD1 3.49Å; K191-M232 WeakPolarHBondContact CA-O 3.46Å
192	L	94.2	Very high	84	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.2	174.2	-171.8	66.5	0	0	0	110.9	F185 L209 A228 N231 M232 L234 F239 I241	F185-L192 HydrophobicContact CB-CD1 4.04Å; F185-L192 HydrophobicContact CD1-CD1 3.87Å; F185-L192 HydrophobicContact CD1-CD2 3.75Å; F185-L192 HydrophobicContact CD1-CG 3.71Å; F185-L192 HydrophobicContact CE1-CD2 3.9Å; F185-L192 HydrophobicContact CE1-CG 4.29Å; F185-L192 HydrophobicContact CG-CD1 4.29Å; L192-L209 HydrophobicContact CD2-CD1 4.02Å; L192-A228 HydrophobicContact CD2-CB 3.91Å; L192-N231 WeakPolarHBondContact O-CA 3.39Å; L192-N231 PolarHBondContact O-N 3.22Å; L192-M232 HydrophobicContact CB-CG 3.77Å; L192-M232 HydrophobicContact CD2-CG 4.12Å; L192-M232 HydrophobicContact CD2-SD 4Å; L192-M232 PolarHBondContact N-O 3.16Å; L192-L234 HydrophobicContact CB-CD2 4.38Å; L192-F239 HydrophobicContact CD1-CE2 3.69Å; L192-F239 HydrophobicContact CD1-CZ 3.85Å; L192-I241 HydrophobicContact CD1-CD1 3.58Å; L192-I241 HydrophobicContact CD2-CD1 4.01Å; L192-I241 HydrophobicContact CG-CD1 4.44Å
193	I	92.6	Very high	82.8	Confident	60 Å²	60	61.5 Å²	61.5	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.8	-179.9	-55.8	170.8	0	0	0	108.7	F185 T186 R188	F185-I193 CarbonylContact C-O 3.59Å; F185-I193 WeakPolarHBondContact CA-O 3.46Å; T186-I193 HydrophobicContact CG2-CB 3.81Å; T186-I193 HydrophobicContact CG2-CD1 4.49Å; T186-I193 HydrophobicContact CG2-CG2 4.23Å; T186-I193 PolarHBondContact N-O 3.31Å; T186-I193 PolarHBondContact O-N 3.26Å; R188-I193 HydrophobicContact CB-CD1 4.2Å
194	Q	89.8	Confident	81.8	Confident	50 Å²	50	66.2 Å²	66.2	23%	0.234	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.4	171	-172.7	179.2	-21	0	0	110.8	F185 Q196 V199 H230	F185-Q194 HydrophobicContact CD1-CB 3.93Å; F185-Q194 HydrophobicContact CD1-CG 4.34Å; F185-Q194 HydrophobicContact CE1-CB 3.62Å; F185-Q194 HydrophobicContact CE1-CG 3.83Å; F185-Q194 HydrophobicContact CZ-CB 4.29Å; F185-Q194 HydrophobicContact CZ-CG 3.98Å; Q194-Q196 PolarHBondContact O-N 3.47Å; Q194-V199 HydrophobicContact CG-CG2 4.36Å; Q194-H230 HydrophobicContact CB-CB 3.91Å; Q194-H230 PolarHBondContact N-ND1 3.2Å; Q194-H230 VanDerWaalsContact N-ND1 3.1Å; Q194-H230 PolarHBondContact O-ND1 3.01Å
195	K	87.4	Confident	81.5	Confident	50 Å²	50	67 Å²	67	22%	0.217	33%	0.334	C	S	.	.			trans	-88.9	98.7	175.3	-66.6	-164.1	-170.3	176.5	0	110.1	N183 W184 E197 A198	N183-K195 WeakPolarHBondContact O-CD 3.19Å; W184-K195 PolarHBondContact O-N 2.85Å; K195-E197 WeakPolarHBondContact CB-OE1 3.17Å; K195-E197 PolarHBondContact O-N 2.91Å; K195-A198 HydrophobicContact CB-CB 3.96Å; K195-A198 PolarHBondContact O-N 3.28Å
196	Q	76.6	Confident	81.2	Confident	160 Å²	160	74.1 Å²	74.1	75%	0.748	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-58.6	-33.6	-174.4	-70.2	-173.2	-8.3	0	0	112.6	Q194 A198 V199	Q194-Q196 PolarHBondContact O-N 3.47Å; Q196-A198 VanDerWaalsContact C-N 3.26Å; Q196-A198 PolarHBondContact O-N 3.15Å; Q196-V199 PolarHBondContact O-N 3.29Å
197	E	76.9	Confident	81.3	Confident	148 Å²	148	73.7 Å²	73.7	69%	0.692	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.9	177.7	69.3	-79.7	-175.2	0	0	114.2	K195	K195-E197 WeakPolarHBondContact CB-OE1 3.17Å; K195-E197 PolarHBondContact O-N 2.91Å
198	A	76	Confident	81.3	Confident	20 Å²	20	77.8 Å²	77.8	17%	0.165	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-91.4	-17.8	-177.8	0	0	0	0	0	113	W184 K195 Q196	W184-A198 PolarHBondContact NE1-O 2.69Å; K195-A198 HydrophobicContact CB-CB 3.96Å; K195-A198 PolarHBondContact O-N 3.28Å; Q196-A198 VanDerWaalsContact C-N 3.26Å; Q196-A198 PolarHBondContact O-N 3.15Å
199	V	71.6	Confident	81.5	Confident	20 Å²	20	73.8 Å²	73.8	12%	0.121	37%	0.368	C	S	.	.	S	Bend	trans	-80	134.9	177.9	-178	0	0	0	0	109.2	Q194 Q196 R201 I205	Q194-V199 HydrophobicContact CG-CG2 4.36Å; Q196-V199 PolarHBondContact O-N 3.29Å; V199-R201 PolarHBondContact O-N 3.23Å; V199-I205 HydrophobicContact CG1-CD1 4.07Å; V199-I205 HydrophobicContact CG1-CG2 3.7Å; V199-I205 HydrophobicContact CG2-CD1 3.97Å
200	P	67.3	Low	81.8	Confident	33 Å²	33	70.8 Å²	70.8	21%	0.214	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-53.1	126.5	175.8	-23.5	32.6	0	0	0	111.3	W184 N202 A203 A245 K249	W184-P200 HydrophobicContact CZ2-CG 4.37Å; P200-N202 PolarHBondContact O-N 2.85Å; P200-A203 HydrophobicContact CB-CB 3.99Å; P200-A203 WeakPolarHBondContact O-CB 3.46Å; P200-A203 PolarHBondContact O-N 3.35Å; P200-A203 VanDerWaalsContact O-N 3.08Å; P200-A245 HydrophobicContact CG-CB 4.49Å; P200-K249 HydrophobicContact CG-CD 4.28Å
201	R	60.7	Low	82	Confident	244 Å²	244	70.6 Å²	70.6	92%	0.921	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	129.3	-179.5	-72.1	-177.4	179.7	176	-0.8	110.5	V199 A203	V199-R201 PolarHBondContact O-N 3.23Å; R201-A203 VanDerWaalsContact C-N 3.29Å; R201-A203 PolarHBondContact O-N 3.33Å
202	N	58.1	Low	82.2	Confident	177 Å²	177	66.4 Å²	66.4	95%	0.947	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	13.9	-179.6	-63.6	-4.9	0	0	0	117.2	P200	P200-N202 PolarHBondContact O-N 2.85Å
203	A	60.9	Low	82.3	Confident	21 Å²	21	68.2 Å²	68.2	17%	0.174	34%	0.342	C	S	.	.			trans	-88.6	126.9	173.5	0	0	0	0	0	111.6	P200 R201 I205 A245 A246	P200-A203 HydrophobicContact CB-CB 3.99Å; P200-A203 WeakPolarHBondContact O-CB 3.46Å; P200-A203 PolarHBondContact O-N 3.35Å; P200-A203 VanDerWaalsContact O-N 3.08Å; R201-A203 VanDerWaalsContact C-N 3.29Å; R201-A203 PolarHBondContact O-N 3.33Å; A203-I205 PolarHBondContact O-N 3.05Å; A203-A245 HydrophobicContact CB-CB 4.48Å; A203-A246 HydrophobicContact CB-CB 4.24Å
204	S	70.1	Confident	82.5	Confident	101 Å²	101	66.9 Å²	66.9	71%	0.706	33%	0.334	S	S	*	.			trans	-65.5	129.1	158	49.2	0	0	0	0	108.4
205	I	82.4	Confident	82.7	Confident	38 Å²	38	68 Å²	68	20%	0.195	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.3	174.8	64.8	177.3	0	0	0	108.7	W184 F185 V199 A203 T244 A245	W184-I205 HydrophobicContact CZ3-CG2 4.15Å; F185-I205 HydrophobicContact CZ-CD1 4.49Å; V199-I205 HydrophobicContact CG1-CD1 4.07Å; V199-I205 HydrophobicContact CG1-CG2 3.7Å; V199-I205 HydrophobicContact CG2-CD1 3.97Å; A203-I205 PolarHBondContact O-N 3.05Å; I205-T244 WeakPolarHBondContact CA-O 3.42Å; I205-A245 HydrophobicContact CG2-CB 3.75Å
206	Q	87	Confident	82.9	Confident	150 Å²	150	66.3 Å²	66.3	70%	0.701	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	124.6	166.9	-71	-177.6	-25.4	0	0	107.5	C243 T244	Q206-C243 CarbonylContact O-C 3.56Å; Q206-C243 WeakPolarHBondContact O-CA 3.31Å; Q206-T244 PolarHBondContact N-O 3.42Å; Q206-T244 PolarHBondContact O-N 3.03Å
207	C	92.5	Very high	83.6	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.074	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.7	-176	-67.2	0	0	0	0	110.8	F185 A228 I241 Q242 C243	F185-C207 HydrophobicContact CE2-CB 4.35Å; F185-C207 VanDerWaalsContact CE2-SG 3.52Å; F185-C207 HydrophobicContact CZ-CB 4.3Å; C207-A228 HydrophobicContact CB-CB 3.66Å; C207-A228 PolarHBondContact O-N 3.38Å; C207-I241 HydrophobicContact CB-CG2 4.47Å; C207-Q242 CarbonylContact C-O 3.46Å; C207-Q242 WeakPolarHBondContact CA-O 3.39Å; C207-C243 HydrophobicContact CB-CB 4.05Å; C207-C243 WeakPolarHBondContact CB-SG 3.38Å; C207-C243 WeakPolarHBondContact SG-CB 3.19Å; C207-C243 CovalentContact SG-SG 2.03Å; C207-C243 PolarHBondContact SG-SG 3.4Å
208	E	94.7	Very high	84.2	Confident	90 Å²	90	56 Å²	56	42%	0.421	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.6	174.9	-172.5	176	-156.5	0	0	109.7	H225 I241 Q242	E208-H225 HydrophobicContact CG-CB 4.06Å; E208-H225 WeakPolarHBondContact OE1-CB 3.28Å; E208-H225 IonicContact OE1-CE1 2.67Å; E208-H225 IonicContact OE1-CG 3.29Å; E208-H225 IonicContact OE1-ND1 3.77Å; E208-H225 PolarHBondContact OE1-ND1 3.43Å; E208-I241 WeakPolarHBondContact O-CA 3.43Å; E208-Q242 PolarHBondContact N-O 2.96Å; E208-Q242 PolarHBondContact O-N 2.83Å
209	L	95.6	Very high	85	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.4	176.8	-174.1	148.5	0	0	0	109.5	L192 P211 H225 S226 A228 M232 L234 F239 K240 I241	L192-L209 HydrophobicContact CD2-CD1 4.02Å; L209-P211 HydrophobicContact CD2-CB 4.14Å; L209-P211 HydrophobicContact CD2-CG 3.79Å; L209-P211 WeakPolarHBondContact O-CD 3.34Å; L209-H225 CarbonylContact O-C 3.57Å; L209-H225 VanDerWaalsContact O-CA 3.32Å; L209-H225 WeakPolarHBondContact O-CA 3.39Å; L209-S226 PolarHBondContact N-O 3.08Å; L209-S226 PolarHBondContact O-N 3.01Å; L209-A228 HydrophobicContact CB-CB 4.04Å; L209-M232 HydrophobicContact CD1-SD 4.19Å; L209-L234 HydrophobicContact CD1-CD2 3.52Å; L209-L234 HydrophobicContact CD2-CD2 4.41Å; L209-F239 HydrophobicContact CD1-CD2 3.65Å; L209-F239 HydrophobicContact CD1-CE2 4.1Å; L209-F239 HydrophobicContact CD1-CG 4.14Å; L209-F239 HydrophobicContact CD2-CB 3.97Å; L209-F239 HydrophobicContact CD2-CG 4.41Å; L209-F239 HydrophobicContact CG-CB 4.11Å; L209-F239 HydrophobicContact CG-CD2 3.89Å; L209-F239 HydrophobicContact CG-CG 4.23Å; L209-K240 WeakPolarHBondContact CA-O 3.49Å; L209-I241 HydrophobicContact CB-CG1 4.49Å; L209-I241 HydrophobicContact CD1-CD1 4.3Å; L209-I241 HydrophobicContact CD1-CG1 4.34Å; L209-I241 HydrophobicContact CG-CG1 4.37Å
210	E	96.6	Very high	86	Confident	18 Å²	18	57.7 Å²	57.7	8%	0.084	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	98.1	176.9	178.2	-169.8	158.4	0	0	108.8	T222 F239 K240 K403	E210-T222 HydrophobicContact CG-CG2 3.43Å; E210-T222 VanDerWaalsContact CG-CG2 3.43Å; E210-T222 WeakPolarHBondContact OE1-CG2 3.45Å; E210-T222 PolarHBondContact OE1-OG1 2.77Å; E210-T222 VanDerWaalsContact OE1-OG1 3.13Å; E210-F239 CarbonylContact O-C 3.6Å; E210-F239 VanDerWaalsContact O-CA 3.23Å; E210-F239 WeakPolarHBondContact O-CA 3.43Å; E210-K240 HydrophobicContact CB-CB 4.29Å; E210-K240 PolarHBondContact N-O 2.74Å; E210-K240 PolarHBondContact O-N 3.2Å; E210-K240 WeakPolarHBondContact OE2-CD 3.08Å; E210-K240 IonicContact OE2-NZ 3.39Å; E210-K240 PolarHBondContact OE2-NZ 3.03Å; E210-K403 VanDerWaalsContact OE1-CE 3.22Å; E210-K403 WeakPolarHBondContact OE1-CE 3.33Å; E210-K403 IonicContact OE1-NZ 2.6Å; E210-K403 PolarHBondContact OE1-NZ 3.49Å
211	P	97.3	Very high	87.4	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.019	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	150.2	176	16.6	-3.2	0	0	0	111.1	L209 L223 N224 P235 T236 F239	L209-P211 HydrophobicContact CD2-CB 4.14Å; L209-P211 HydrophobicContact CD2-CG 3.79Å; L209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-L223 HydrophobicContact CB-CB 4.23Å; P211-L223 HydrophobicContact CB-CD1 4.33Å; P211-L223 HydrophobicContact CG-CB 3.97Å; P211-L223 WeakPolarHBondContact O-CB 3.32Å; P211-L223 PolarHBondContact O-N 3.38Å; P211-N224 VanDerWaalsContact CD-O 3.27Å; P211-N224 WeakPolarHBondContact CD-O 3.4Å; P211-N224 WeakPolarHBondContact CG-O 3.44Å; P211-P235 HydrophobicContact CB-CG 3.79Å; P211-P235 HydrophobicContact CG-CG 3.89Å; P211-T236 HydrophobicContact CB-CG2 3.72Å; P211-F239 HydrophobicContact CB-CB 4.44Å
212	F	97.7	Very high	89	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.8	-179.7	59.7	-94.9	0	0	0	113.6	V220 K221 F238 T399 F400 K403	F212-V220 HydrophobicContact CB-CG1 3.8Å; F212-V220 HydrophobicContact CD2-CG1 3.59Å; F212-V220 HydrophobicContact CG-CG1 4.05Å; F212-K221 CarbonylContact C-O 3.58Å; F212-K221 WeakPolarHBondContact CA-O 3.46Å; F212-F238 HydrophobicContact CD2-CB 3.85Å; F212-F238 HydrophobicContact CE1-CB 4.07Å; F212-F238 HydrophobicContact CE2-CB 3.31Å; F212-F238 HydrophobicContact CE2-CD2 4.34Å; F212-F238 HydrophobicContact CE2-CG 4.08Å; F212-F238 HydrophobicContact CG-CB 4.43Å; F212-F238 HydrophobicContact CZ-CB 3.45Å; F212-F238 VanDerWaalsContact CZ-CB 3.45Å; F212-F238 HydrophobicContact CZ-CG 4.49Å; F212-F238 PolarHBondContact N-O 3.46Å; F212-T399 HydrophobicContact CD2-CG2 4.43Å; F212-F400 HydrophobicContact CZ-CD2 4.17Å; F212-K403 HydrophobicContact CD1-CG 4Å; F212-K403 HydrophobicContact CD2-CB 3.94Å; F212-K403 HydrophobicContact CD2-CG 4.06Å; F212-K403 HydrophobicContact CE1-CB 4.35Å; F212-K403 HydrophobicContact CE1-CG 3.88Å; F212-K403 HydrophobicContact CE2-CB 3.56Å; F212-K403 HydrophobicContact CE2-CG 3.94Å; F212-K403 HydrophobicContact CG-CB 4.46Å; F212-K403 HydrophobicContact CG-CG 4.07Å; F212-K403 HydrophobicContact CZ-CB 3.78Å; F212-K403 HydrophobicContact CZ-CG 3.85Å
213	V	96.7	Very high	90.8	Very high	39 Å²	39	47.3 Å²	47.3	24%	0.236	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.6	-171.7	-63.2	0	0	0	0	112.8	V220 K221 L223 T236	V213-V220 WeakPolarHBondContact O-CG1 3.36Å; V213-K221 HydrophobicContact CG2-CB 4.06Å; V213-K221 HydrophobicContact CG2-CG 4.48Å; V213-K221 PolarHBondContact N-O 3.24Å; V213-K221 PolarHBondContact O-N 3.19Å; V213-L223 HydrophobicContact CG1-CD1 3.86Å; V213-L223 HydrophobicContact CG1-CG 4.28Å; V213-L223 HydrophobicContact CG2-CD2 3.99Å; V213-L223 HydrophobicContact CG2-CG 4.4Å; V213-T236 HydrophobicContact CG1-CG2 4.2Å; V213-T236 WeakPolarHBondContact CG1-OG1 3.49Å
214	F	95.8	Very high	92.4	Very high	32 Å²	32	53.5 Å²	53.5	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.2	175.3	179.6	-93.6	0	0	0	111.8	G216 Q391 Y396 T399	F214-G216 VanDerWaalsContact CE1-N 3.27Å; F214-G216 WeakPolarHBondContact CE2-O 3.17Å; F214-Q391 HydrophobicContact CD1-CB 3.86Å; F214-Q391 HydrophobicContact CD1-CG 4.43Å; F214-Q391 HydrophobicContact CE1-CB 4.16Å; F214-Q391 HydrophobicContact CG-CB 4.28Å; F214-Q391 HydrophobicContact CG-CG 4.36Å; F214-Y396 AromaticContact CD2-CD1 3.81Å; F214-Y396 HydrophobicContact CD2-CD1 3.81Å; F214-Y396 AromaticContact CD2-CE1 3.92Å; F214-Y396 HydrophobicContact CD2-CE1 3.92Å; F214-Y396 HydrophobicContact CE2-CD1 4.01Å; F214-Y396 AromaticContact CE2-CE1 3.68Å; F214-Y396 HydrophobicContact CE2-CE1 3.68Å; F214-T399 HydrophobicContact CB-CG2 4.29Å
215	S	94.3	Very high	93.5	Very high	72 Å²	72	53.3 Å²	53.3	50%	0.503	28%	0.282	S	S	.	.	S	Bend	trans	-131.6	15.4	173.1	-171.7	0	0	0	0	112.5	A219	S215-A219 PolarHBondContact N-O 2.81Å; S215-A219 VanDerWaalsContact N-O 3.15Å
216	G	91.3	Very high	94	Very high	15 Å²	15	53.6 Å²	53.6	16%	0.155	29%	0.287	C	S	.	.	S	Bend	trans	127.7	155.9	-170.4	0	0	0	0	0	111	F214 F218 A219	F214-G216 VanDerWaalsContact CE1-N 3.27Å; F214-G216 WeakPolarHBondContact CE2-O 3.17Å; G216-F218 PolarHBondContact O-N 3.3Å; G216-A219 PolarHBondContact O-N 2.98Å
217	D	91.6	Very high	94.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.011	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.6	-178	-102.5	-11.8	0	0	0	114.6	T382 G387 F388 Y396 R398	D217-T382 HydrophobicContact CB-CG2 3.74Å; D217-T382 WeakPolarHBondContact OD2-CG2 3.36Å; D217-G387 VanDerWaalsContact OD2-CA 3.24Å; D217-G387 WeakPolarHBondContact OD2-CA 3.33Å; D217-F388 PolarHBondContact N-O 3.36Å; D217-F388 PolarHBondContact OD2-N 3.49Å; D217-Y396 VanDerWaalsContact OD1-CE1 3.31Å; D217-Y396 WeakPolarHBondContact OD1-CE1 3.4Å; D217-Y396 PolarHBondContact OD1-OH 3.08Å; D217-R398 PolarHBondContact O-NH1 3.38Å; D217-R398 PolarHBondContact O-NH2 3.11Å; D217-R398 IonicContact OD1-NH1 3.88Å
218	F	90.8	Very high	94.1	Very high	89 Å²	89	52.2 Å²	52.2	39%	0.39	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	9.3	178.1	-54.8	-75.8	0	0	0	113.2	G216 T382	G216-F218 PolarHBondContact O-N 3.3Å; F218-T382 HydrophobicContact CE1-CG2 4.43Å; F218-T382 HydrophobicContact CZ-CG2 4.22Å
219	A	91.4	Very high	93.9	Very high	42 Å²	42	53.3 Å²	53.3	35%	0.347	29%	0.285	S	S	.	.			trans	-148.2	140.2	-176.1	0	0	0	0	0	112.8	S215 G216	S215-A219 PolarHBondContact N-O 2.81Å; S215-A219 VanDerWaalsContact N-O 3.15Å; G216-A219 PolarHBondContact O-N 2.98Å
220	V	94	Very high	93.6	Very high	35 Å²	35	58.2 Å²	58.2	21%	0.212	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.6	174	-180	0	0	0	0	108.5	F212 V213 T399 R402 K403	F212-V220 HydrophobicContact CB-CG1 3.8Å; F212-V220 HydrophobicContact CD2-CG1 3.59Å; F212-V220 HydrophobicContact CG-CG1 4.05Å; V213-V220 WeakPolarHBondContact O-CG1 3.36Å; V220-T399 HydrophobicContact CG1-CG2 4.21Å; V220-T399 HydrophobicContact CG2-CG2 4.08Å; V220-R402 HydrophobicContact CG2-CB 3.98Å; V220-R402 HydrophobicContact CG2-CG 3.73Å; V220-K403 HydrophobicContact CG1-CB 4.34Å; V220-K403 HydrophobicContact CG1-CD 4.29Å; V220-K403 HydrophobicContact CG2-CB 4.43Å
221	K	95.5	Very high	93.3	Very high	126 Å²	126	61.9 Å²	61.9	55%	0.548	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116	174.8	178.4	-179	179	-176.4	0	109.7	F212 V213	F212-K221 CarbonylContact C-O 3.58Å; F212-K221 WeakPolarHBondContact CA-O 3.46Å; V213-K221 HydrophobicContact CG2-CB 4.06Å; V213-K221 HydrophobicContact CG2-CG 4.48Å; V213-K221 PolarHBondContact N-O 3.24Å; V213-K221 PolarHBondContact O-N 3.19Å
222	T	95.7	Very high	93.1	Very high	56 Å²	56	63.8 Å²	63.8	34%	0.344	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.6	169.8	-64.7	0	0	0	0	110.1	E210 K403	E210-T222 HydrophobicContact CG-CG2 3.43Å; E210-T222 VanDerWaalsContact CG-CG2 3.43Å; E210-T222 WeakPolarHBondContact OE1-CG2 3.45Å; E210-T222 PolarHBondContact OE1-OG1 2.77Å; E210-T222 VanDerWaalsContact OE1-OG1 3.13Å; T222-K403 WeakPolarHBondContact OG1-CE 3.37Å
223	L	95.2	Very high	93	Very high	54 Å²	54	68.1 Å²	68.1	28%	0.283	37%	0.367	S	S	.	.			trans	-95.1	177.3	175.3	-58.7	-175	0	0	0	110.5	P211 V213 H225 T236	P211-L223 HydrophobicContact CB-CB 4.23Å; P211-L223 HydrophobicContact CB-CD1 4.33Å; P211-L223 HydrophobicContact CG-CB 3.97Å; P211-L223 WeakPolarHBondContact O-CB 3.32Å; P211-L223 PolarHBondContact O-N 3.38Å; V213-L223 HydrophobicContact CG1-CD1 3.86Å; V213-L223 HydrophobicContact CG1-CG 4.28Å; V213-L223 HydrophobicContact CG2-CD2 3.99Å; V213-L223 HydrophobicContact CG2-CG 4.4Å; L223-H225 PolarHBondContact O-N 3.05Å; L223-T236 HydrophobicContact CD1-CG2 4.43Å
224	N	93.7	Very high	92.9	Very high	151 Å²	151	66.7 Å²	66.7	81%	0.807	36%	0.358	S	S	*	.			trans	-59.9	134.8	179.4	-67.4	-11	0	0	0	111.6	P211	P211-N224 VanDerWaalsContact CD-O 3.27Å; P211-N224 WeakPolarHBondContact CD-O 3.4Å; P211-N224 WeakPolarHBondContact CG-O 3.44Å
225	H	93.5	Very high	92.7	Very high	97 Å²	97	69.1 Å²	69.1	45%	0.449	38%	0.377	S	S	.	.			trans	-69	153.8	175.9	-59.2	-174.3	0	0	0	110.7	E208 L209 L223	E208-H225 HydrophobicContact CG-CB 4.06Å; E208-H225 WeakPolarHBondContact OE1-CB 3.28Å; E208-H225 IonicContact OE1-CE1 2.67Å; E208-H225 IonicContact OE1-CG 3.29Å; E208-H225 IonicContact OE1-ND1 3.77Å; E208-H225 PolarHBondContact OE1-ND1 3.43Å; L209-H225 CarbonylContact O-C 3.57Å; L209-H225 VanDerWaalsContact O-CA 3.32Å; L209-H225 WeakPolarHBondContact O-CA 3.39Å; L223-H225 PolarHBondContact O-N 3.05Å
226	S	92.6	Very high	92.8	Very high	43 Å²	43	66.7 Å²	66.7	30%	0.301	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.1	178.1	54.9	0	0	0	0	111.1	L209 A228	L209-S226 PolarHBondContact N-O 3.08Å; L209-S226 PolarHBondContact O-N 3.01Å; S226-A228 PolarHBondContact O-N 3.19Å
227	E	92.2	Very high	93.1	Very high	123 Å²	123	66.2 Å²	66.2	58%	0.575	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.1	173.5	-172.2	-172.1	177.9	0	0	109.8	K229	E227-K229 PolarHBondContact O-N 3.31Å; E227-K229 WeakPolarHBondContact OE2-CE 3.46Å; E227-K229 IonicContact OE2-NZ 2.82Å; E227-K229 PolarHBondContact OE2-NZ 3.41Å
228	A	90.4	Very high	93.3	Very high	10 Å²	10	66.5 Å²	66.5	8%	0.083	35%	0.354	C	S	.	.			trans	-77	113.6	-177.4	0	0	0	0	0	110.9	F185 L192 C207 L209 S226 I241	F185-A228 HydrophobicContact CZ-CB 4.47Å; L192-A228 HydrophobicContact CD2-CB 3.91Å; C207-A228 HydrophobicContact CB-CB 3.66Å; C207-A228 PolarHBondContact O-N 3.38Å; L209-A228 HydrophobicContact CB-CB 4.04Å; S226-A228 PolarHBondContact O-N 3.19Å; A228-I241 HydrophobicContact CB-CD1 4.4Å
229	K	89.3	Confident	93.6	Very high	113 Å²	113	62.3 Å²	62.3	49%	0.491	34%	0.336	S	S	.	.			trans	-119.3	142.2	-178	-65.4	179.3	-176.5	175.6	0	111.8	E227 N231 M232	E227-K229 PolarHBondContact O-N 3.31Å; E227-K229 WeakPolarHBondContact OE2-CE 3.46Å; E227-K229 IonicContact OE2-NZ 2.82Å; E227-K229 PolarHBondContact OE2-NZ 3.41Å; K229-N231 PolarHBondContact O-N 2.87Å; K229-M232 HydrophobicContact CB-CB 4.4Å; K229-M232 PolarHBondContact N-SD 3.04Å; K229-M232 VanDerWaalsContact N-SD 3.42Å; K229-M232 WeakPolarHBondContact O-CB 3.48Å; K229-M232 VanDerWaalsContact O-CG 3.28Å; K229-M232 WeakPolarHBondContact O-CG 3.39Å; K229-M232 PolarHBondContact O-N 2.83Å
230	H	89.8	Confident	93.9	Very high	102 Å²	102	61.4 Å²	61.4	47%	0.472	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.8	173	-178.2	88.1	0	0	0	110.7	Q194 M232	Q194-H230 HydrophobicContact CB-CB 3.91Å; Q194-H230 PolarHBondContact N-ND1 3.2Å; Q194-H230 VanDerWaalsContact N-ND1 3.1Å; Q194-H230 PolarHBondContact O-ND1 3.01Å; H230-M232 PolarHBondContact O-N 3.32Å
231	N	90.7	Very high	93.9	Very high	95 Å²	95	59.7 Å²	59.7	51%	0.508	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	15.6	-179.9	-152.1	27.6	0	0	0	115.6	K191 L192 K229	K191-N231 WeakPolarHBondContact CD-OD1 3.49Å; L192-N231 WeakPolarHBondContact O-CA 3.39Å; L192-N231 PolarHBondContact O-N 3.22Å; K229-N231 PolarHBondContact O-N 2.87Å
232	M	93.6	Very high	93.8	Very high	43 Å²	43	57.3 Å²	57.3	21%	0.212	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-70	144	173.6	76.6	-179.2	-71.2	0	0	111.6	K191 L192 L209 K229 H230	K191-M232 WeakPolarHBondContact CA-O 3.46Å; L192-M232 HydrophobicContact CB-CG 3.77Å; L192-M232 HydrophobicContact CD2-CG 4.12Å; L192-M232 HydrophobicContact CD2-SD 4Å; L192-M232 PolarHBondContact N-O 3.16Å; L209-M232 HydrophobicContact CD1-SD 4.19Å; K229-M232 HydrophobicContact CB-CB 4.4Å; K229-M232 PolarHBondContact N-SD 3.04Å; K229-M232 VanDerWaalsContact N-SD 3.42Å; K229-M232 WeakPolarHBondContact O-CB 3.48Å; K229-M232 VanDerWaalsContact O-CG 3.28Å; K229-M232 WeakPolarHBondContact O-CG 3.39Å; K229-M232 PolarHBondContact O-N 2.83Å; H230-M232 PolarHBondContact O-N 3.32Å
233	S	94.1	Very high	93.6	Very high	91 Å²	91	54.8 Å²	54.8	64%	0.636	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-74.8	137.7	170.7	-58.5	0	0	0	0	110.7
234	L	94.9	Very high	93.3	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.047	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-96	139.6	-178	-65.6	163.9	0	0	0	110.4	A187 G190 L192 L209 T236 F239 T257 V259	A187-L234 HydrophobicContact CB-CD1 3.87Å; G190-L234 WeakPolarHBondContact O-CB 3.36Å; G190-L234 PolarHBondContact O-N 3.45Å; L192-L234 HydrophobicContact CB-CD2 4.38Å; L209-L234 HydrophobicContact CD1-CD2 3.52Å; L209-L234 HydrophobicContact CD2-CD2 4.41Å; L234-T236 VanDerWaalsContact C-N 3.31Å; L234-T236 PolarHBondContact O-N 3.36Å; L234-F239 HydrophobicContact CD1-CD1 3.99Å; L234-F239 HydrophobicContact CD1-CE1 3.35Å; L234-F239 HydrophobicContact CD1-CZ 3.8Å; L234-F239 HydrophobicContact CD2-CD1 3.97Å; L234-F239 HydrophobicContact CD2-CE1 4Å; L234-F239 HydrophobicContact CD2-CG 4.26Å; L234-F239 HydrophobicContact CD2-CZ 4.27Å; L234-F239 HydrophobicContact CG-CE1 4.28Å; L234-T257 HydrophobicContact CD1-CG2 3.65Å; L234-V259 HydrophobicContact CB-CG2 4.23Å; L234-V259 WeakPolarHBondContact O-CG2 3.45Å
235	P	93.1	Very high	92.8	Very high	84 Å²	84	48.8 Å²	48.8	55%	0.545	26%	0.261	S	S	.	.	S	Bend	trans	-79.1	-15.2	-178.3	31.3	-35.4	0	0	0	113.3	P211	P211-P235 HydrophobicContact CB-CG 3.79Å; P211-P235 HydrophobicContact CG-CG 3.89Å
236	T	95.5	Very high	91.9	Very high	20 Å²	20	47.3 Å²	47.3	12%	0.123	27%	0.266	C	S	.	.	S	Bend	trans	-155.7	167.2	-176.4	-172.9	0	0	0	0	110.5	P211 V213 L223 L234 F238 V259	P211-T236 HydrophobicContact CB-CG2 3.72Å; V213-T236 HydrophobicContact CG1-CG2 4.2Å; V213-T236 WeakPolarHBondContact CG1-OG1 3.49Å; L223-T236 HydrophobicContact CD1-CG2 4.43Å; L234-T236 VanDerWaalsContact C-N 3.31Å; L234-T236 PolarHBondContact O-N 3.36Å; T236-F238 VanDerWaalsContact CG2-O 3.23Å; T236-F238 WeakPolarHBondContact CG2-O 3.44Å; T236-F238 PolarHBondContact O-N 3.34Å; T236-V259 VanDerWaalsContact C-CG2 3.47Å; T236-V259 WeakPolarHBondContact O-CG2 3.35Å
237	D	96.8	Very high	90.8	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.027	29%	0.291	C	S	.	.	S	Bend	trans	-63.6	-26.7	-179.5	-72.3	8	0	0	0	113.4	A256 T257 V259 H395 Y428	D237-A256 CarbonylContact O-C 3.58Å; D237-A256 WeakPolarHBondContact O-CA 3.46Å; D237-T257 WeakPolarHBondContact CA-O 3.07Å; D237-T257 WeakPolarHBondContact CB-O 3.37Å; D237-T257 VanDerWaalsContact CG-O 3.26Å; D237-T257 PolarHBondContact O-N 3.31Å; D237-V259 PolarHBondContact OD1-N 2.88Å; D237-H395 IonicContact OD1-CE1 2.84Å; D237-H395 IonicContact OD1-ND1 2.65Å; D237-H395 IonicContact OD2-CE1 3.16Å; D237-H395 IonicContact OD2-CG 2.67Å; D237-H395 IonicContact OD2-ND1 3.36Å; D237-H395 PolarHBondContact OD2-ND1 3.02Å; D237-Y428 HydrophobicContact CB-CE2 4.2Å; D237-Y428 PolarHBondContact OD2-OH 3.06Å
238	F	97.4	Very high	89.9	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.035	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.4	-167.6	-43.7	-56.1	0	0	0	113.2	F212 T236 A256 Y396 L397 T399 F400 Y428	F212-F238 HydrophobicContact CD2-CB 3.85Å; F212-F238 HydrophobicContact CE1-CB 4.07Å; F212-F238 HydrophobicContact CE2-CB 3.31Å; F212-F238 HydrophobicContact CE2-CD2 4.34Å; F212-F238 HydrophobicContact CE2-CG 4.08Å; F212-F238 HydrophobicContact CG-CB 4.43Å; F212-F238 HydrophobicContact CZ-CB 3.45Å; F212-F238 VanDerWaalsContact CZ-CB 3.45Å; F212-F238 HydrophobicContact CZ-CG 4.49Å; F212-F238 PolarHBondContact N-O 3.46Å; T236-F238 VanDerWaalsContact CG2-O 3.23Å; T236-F238 WeakPolarHBondContact CG2-O 3.44Å; T236-F238 PolarHBondContact O-N 3.34Å; F238-A256 HydrophobicContact CD1-CB 3.93Å; F238-A256 HydrophobicContact CE1-CB 4.15Å; F238-Y396 WeakPolarHBondContact CE2-O 3.28Å; F238-Y396 WeakPolarHBondContact CZ-O 3.43Å; F238-L397 HydrophobicContact CE1-CD1 3.73Å; F238-L397 HydrophobicContact CZ-CD1 4.33Å; F238-T399 HydrophobicContact CD2-CG2 4.17Å; F238-T399 HydrophobicContact CE2-CG2 4.34Å; F238-F400 HydrophobicContact CB-CD2 4.43Å; F238-F400 HydrophobicContact CD1-CB 3.8Å; F238-F400 HydrophobicContact CD1-CD2 4.08Å; F238-F400 HydrophobicContact CD1-CG 4.34Å; F238-F400 HydrophobicContact CE1-CB 4Å; F238-F400 HydrophobicContact CG-CB 4.16Å; F238-Y428 HydrophobicContact CE1-CD2 4.46Å; F238-Y428 AromaticContact CE1-CE2 3.64Å; F238-Y428 HydrophobicContact CE1-CE2 3.64Å; F238-Y428 AromaticContact CE1-CZ 3.78Å; F238-Y428 HydrophobicContact CZ-CE2 4.2Å; F238-Y428 AromaticContact CZ-CZ 3.89Å; F238-Y428 WeakPolarHBondContact CZ-OH 3.45Å
239	F	96.8	Very high	89.5	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.3	178.9	58.4	-81.8	0	0	0	111.5	A187 L192 L209 E210 P211 L234 I241 H255 T257	A187-F239 HydrophobicContact CB-CE1 3.91Å; A187-F239 HydrophobicContact CB-CZ 3.6Å; L192-F239 HydrophobicContact CD1-CE2 3.69Å; L192-F239 HydrophobicContact CD1-CZ 3.85Å; L209-F239 HydrophobicContact CD1-CD2 3.65Å; L209-F239 HydrophobicContact CD1-CE2 4.1Å; L209-F239 HydrophobicContact CD1-CG 4.14Å; L209-F239 HydrophobicContact CD2-CB 3.97Å; L209-F239 HydrophobicContact CD2-CG 4.41Å; L209-F239 HydrophobicContact CG-CB 4.11Å; L209-F239 HydrophobicContact CG-CD2 3.89Å; L209-F239 HydrophobicContact CG-CG 4.23Å; E210-F239 CarbonylContact O-C 3.6Å; E210-F239 VanDerWaalsContact O-CA 3.23Å; E210-F239 WeakPolarHBondContact O-CA 3.43Å; P211-F239 HydrophobicContact CB-CB 4.44Å; L234-F239 HydrophobicContact CD1-CD1 3.99Å; L234-F239 HydrophobicContact CD1-CE1 3.35Å; L234-F239 HydrophobicContact CD1-CZ 3.8Å; L234-F239 HydrophobicContact CD2-CD1 3.97Å; L234-F239 HydrophobicContact CD2-CE1 4Å; L234-F239 HydrophobicContact CD2-CG 4.26Å; L234-F239 HydrophobicContact CD2-CZ 4.27Å; L234-F239 HydrophobicContact CG-CE1 4.28Å; F239-I241 HydrophobicContact CD2-CD1 4.03Å; F239-I241 HydrophobicContact CD2-CG1 3.78Å; F239-I241 HydrophobicContact CE2-CD1 3.63Å; F239-I241 HydrophobicContact CE2-CG1 3.88Å; F239-H255 HydrophobicContact CD1-CB 4.49Å; F239-H255 HydrophobicContact CD2-CB 4.16Å; F239-H255 HydrophobicContact CE1-CB 3.84Å; F239-H255 HydrophobicContact CE2-CB 3.48Å; F239-H255 VanDerWaalsContact CE2-CB 3.48Å; F239-H255 AromaticContact CE2-CD2 3.84Å; F239-H255 AromaticContact CE2-CG 3.88Å; F239-H255 HydrophobicContact CZ-CB 3.29Å; F239-H255 PolarHBondContact N-O 3.04Å; F239-H255 PolarHBondContact O-N 3.2Å; F239-T257 HydrophobicContact CE1-CG2 4.09Å
240	K	96.2	Very high	89.3	Confident	23 Å²	23	51.9 Å²	51.9	10%	0.1	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.5	172.3	176.8	-167.8	169.7	-153.4	0	108.4	L209 E210 Q242 N253 Y254	L209-K240 WeakPolarHBondContact CA-O 3.49Å; E210-K240 HydrophobicContact CB-CB 4.29Å; E210-K240 PolarHBondContact N-O 2.74Å; E210-K240 PolarHBondContact O-N 3.2Å; E210-K240 WeakPolarHBondContact OE2-CD 3.08Å; E210-K240 IonicContact OE2-NZ 3.39Å; E210-K240 PolarHBondContact OE2-NZ 3.03Å; K240-Q242 VanDerWaalsContact CE-CD 3.43Å; K240-Q242 HydrophobicContact CG-CG 4.44Å; K240-N253 WeakPolarHBondContact CA-O 3.48Å; K240-Y254 HydrophobicContact CB-CD1 3.84Å; K240-Y254 HydrophobicContact CB-CE1 3.86Å; K240-Y254 HydrophobicContact CD-CD1 4.45Å; K240-Y254 HydrophobicContact CD-CE1 3.68Å; K240-Y254 HydrophobicContact CG-CD1 4.02Å; K240-Y254 HydrophobicContact CG-CE1 3.72Å
241	I	95.1	Very high	89.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.9	173.9	-67.4	-176.4	0	0	0	109.3	F185 L192 C207 E208 L209 A228 F239 C243 Y251 T252 N253	F185-I241 HydrophobicContact CB-CD1 3.89Å; F185-I241 HydrophobicContact CD1-CD1 4.22Å; F185-I241 HydrophobicContact CD2-CD1 4.13Å; F185-I241 HydrophobicContact CD2-CG2 4.09Å; F185-I241 HydrophobicContact CE2-CG2 4.32Å; F185-I241 HydrophobicContact CG-CD1 3.81Å; L192-I241 HydrophobicContact CD1-CD1 3.58Å; L192-I241 HydrophobicContact CD2-CD1 4.01Å; L192-I241 HydrophobicContact CG-CD1 4.44Å; C207-I241 HydrophobicContact CB-CG2 4.47Å; E208-I241 WeakPolarHBondContact O-CA 3.43Å; L209-I241 HydrophobicContact CB-CG1 4.49Å; L209-I241 HydrophobicContact CD1-CD1 4.3Å; L209-I241 HydrophobicContact CD1-CG1 4.34Å; L209-I241 HydrophobicContact CG-CG1 4.37Å; A228-I241 HydrophobicContact CB-CD1 4.4Å; F239-I241 HydrophobicContact CD2-CD1 4.03Å; F239-I241 HydrophobicContact CD2-CG1 3.78Å; F239-I241 HydrophobicContact CE2-CD1 3.63Å; F239-I241 HydrophobicContact CE2-CG1 3.88Å; I241-C243 VanDerWaalsContact CG2-SG 3.54Å; I241-Y251 HydrophobicContact CB-CE1 4.4Å; I241-Y251 HydrophobicContact CG2-CD1 4.22Å; I241-Y251 HydrophobicContact CG2-CE1 4.12Å; I241-T252 VanDerWaalsContact O-CA 3.29Å; I241-T252 WeakPolarHBondContact O-CA 3.37Å; I241-N253 PolarHBondContact N-O 2.7Å; I241-N253 PolarHBondContact O-N 3.38Å
242	Q	94	Very high	89.3	Confident	76 Å²	76	47 Å²	47	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.7	170.4	-56.8	-166.3	-96.6	0	0	109.3	C207 E208 K240 Y251 T252	C207-Q242 CarbonylContact C-O 3.46Å; C207-Q242 WeakPolarHBondContact CA-O 3.39Å; E208-Q242 PolarHBondContact N-O 2.96Å; E208-Q242 PolarHBondContact O-N 2.83Å; K240-Q242 VanDerWaalsContact CE-CD 3.43Å; K240-Q242 HydrophobicContact CG-CG 4.44Å; Q242-Y251 CarbonylContact C-O 3.52Å; Q242-Y251 WeakPolarHBondContact CA-O 3.47Å; Q242-T252 HydrophobicContact CG-CG2 4.01Å; Q242-T252 PolarHBondContact NE2-OG1 2.91Å
243	C	91.6	Very high	89.4	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.1	177.2	-54.5	0	0	0	0	112.3	W184 F185 Q206 C207 I241 N250 Y251	W184-C243 HydrophobicContact CE3-CB 3.75Å; W184-C243 HydrophobicContact CZ3-CB 3.58Å; F185-C243 VanDerWaalsContact CE2-SG 3.59Å; Q206-C243 CarbonylContact O-C 3.56Å; Q206-C243 WeakPolarHBondContact O-CA 3.31Å; C207-C243 HydrophobicContact CB-CB 4.05Å; C207-C243 WeakPolarHBondContact CB-SG 3.38Å; C207-C243 WeakPolarHBondContact SG-CB 3.19Å; C207-C243 CovalentContact SG-SG 2.03Å; C207-C243 PolarHBondContact SG-SG 3.4Å; I241-C243 VanDerWaalsContact CG2-SG 3.54Å; C243-N250 CarbonylContact O-C 3.51Å; C243-N250 VanDerWaalsContact O-CA 3.31Å; C243-N250 WeakPolarHBondContact O-CA 3.43Å; C243-Y251 HydrophobicContact CB-CD1 4.48Å; C243-Y251 PolarHBondContact N-O 3.32Å; C243-Y251 PolarHBondContact O-N 3.31Å
244	T	88.1	Confident	89.4	Confident	70 Å²	70	41.8 Å²	41.8	43%	0.429	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.9	167.6	56.7	0	0	0	0	108.8	I205 Q206	I205-T244 WeakPolarHBondContact CA-O 3.42Å; Q206-T244 PolarHBondContact N-O 3.42Å; Q206-T244 PolarHBondContact O-N 3.03Å
245	A	82.7	Confident	89.5	Confident	9 Å²	9	41.8 Å²	41.8	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.4	175.8	0	0	0	0	0	111	W184 P200 A203 I205 G247 G248 K249	W184-A245 HydrophobicContact CH2-CB 3.66Å; W184-A245 HydrophobicContact CZ3-CB 4.11Å; P200-A245 HydrophobicContact CG-CB 4.49Å; A203-A245 HydrophobicContact CB-CB 4.48Å; I205-A245 HydrophobicContact CG2-CB 3.75Å; A245-G247 PolarHBondContact O-N 3.11Å; A245-G248 PolarHBondContact O-N 2.79Å; A245-K249 HydrophobicContact CB-CB 4.39Å; A245-K249 PolarHBondContact N-O 2.83Å
246	A	74.2	Confident	89.6	Confident	66 Å²	66	38.3 Å²	38.3	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	128.8	171.2	0	0	0	0	0	111.3	A203	A203-A246 HydrophobicContact CB-CB 4.24Å
247	G	70.7	Confident	89.6	Confident	81 Å²	81	37.3 Å²	37.3	84%	0.835	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.5	13.7	-174.6	0	0	0	0	0	116	A245 K249	A245-G247 PolarHBondContact O-N 3.11Å; G247-K249 VanDerWaalsContact C-N 3.34Å; G247-K249 PolarHBondContact O-N 3.37Å
248	G	73.5	Confident	89.6	Confident	68 Å²	68	37.1 Å²	37.1	70%	0.701	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	13.9	172.8	0	0	0	0	0	115.1	A245	A245-G248 PolarHBondContact O-N 2.79Å
249	K	80.4	Confident	89.5	Confident	119 Å²	119	38.4 Å²	38.4	52%	0.517	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.7	175.9	-69.7	179.7	-178.4	172.5	0	109.7	P200 A245 G247	P200-K249 HydrophobicContact CG-CD 4.28Å; A245-K249 HydrophobicContact CB-CB 4.39Å; A245-K249 PolarHBondContact N-O 2.83Å; G247-K249 VanDerWaalsContact C-N 3.34Å; G247-K249 PolarHBondContact O-N 3.37Å
250	N	86.6	Confident	89.3	Confident	117 Å²	117	40.7 Å²	40.7	63%	0.626	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.9	176.5	-63	-15	0	0	0	110.5	C243	C243-N250 CarbonylContact O-C 3.51Å; C243-N250 VanDerWaalsContact O-CA 3.31Å; C243-N250 WeakPolarHBondContact O-CA 3.43Å
251	Y	89.1	Confident	89	Confident	22 Å²	22	43.6 Å²	43.6	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.6	170	171.4	-97.6	0	0	0	108.1	N183 W184 F185 I241 Q242 C243 N253 H255	N183-Y251 HydrophobicContact CB-CE2 4.48Å; W184-Y251 HydrophobicContact CB-CD1 4.1Å; W184-Y251 HydrophobicContact CB-CD2 4.14Å; W184-Y251 HydrophobicContact CB-CE1 4.1Å; W184-Y251 HydrophobicContact CB-CE2 4.14Å; W184-Y251 HydrophobicContact CB-CG 4.12Å; W184-Y251 AromaticContact CD1-CD2 3.97Å; W184-Y251 HydrophobicContact CD2-CD1 4.36Å; W184-Y251 HydrophobicContact CD2-CD2 4.05Å; W184-Y251 AromaticContact CD2-CG 3.75Å; W184-Y251 HydrophobicContact CD2-CG 3.75Å; W184-Y251 VanDerWaalsContact CE3-CB 3.48Å; W184-Y251 HydrophobicContact CE3-CD1 4.31Å; W184-Y251 AromaticContact CE3-CG 3.95Å; W184-Y251 HydrophobicContact CE3-CG 3.95Å; W184-Y251 HydrophobicContact CG-CD1 4.3Å; W184-Y251 AromaticContact CG-CD2 3.77Å; W184-Y251 HydrophobicContact CG-CD2 3.77Å; W184-Y251 HydrophobicContact CG-CE2 4.19Å; W184-Y251 AromaticContact CG-CG 3.84Å; W184-Y251 HydrophobicContact CG-CG 3.84Å; F185-Y251 HydrophobicContact CD2-CE1 4.2Å; I241-Y251 HydrophobicContact CB-CE1 4.4Å; I241-Y251 HydrophobicContact CG2-CD1 4.22Å; I241-Y251 HydrophobicContact CG2-CE1 4.12Å; Q242-Y251 CarbonylContact C-O 3.52Å; Q242-Y251 WeakPolarHBondContact CA-O 3.47Å; C243-Y251 HydrophobicContact CB-CD1 4.48Å; C243-Y251 PolarHBondContact N-O 3.32Å; C243-Y251 PolarHBondContact O-N 3.31Å; Y251-N253 HydrophobicContact CE1-CB 3.92Å; Y251-N253 HydrophobicContact CE2-CB 3.98Å; Y251-N253 VanDerWaalsContact CZ-CB 3.46Å; Y251-N253 VanDerWaalsContact OH-CB 3.26Å; Y251-N253 WeakPolarHBondContact OH-CB 3.5Å; Y251-N253 PolarHBondContact OH-ND2 3.09Å; Y251-H255 PolarHBondContact OH-CE1 3.18Å; Y251-H255 VanDerWaalsContact OH-CE1 3.26Å; Y251-H255 PolarHBondContact OH-NE2 2.73Å
252	T	91.8	Very high	88.2	Confident	72 Å²	72	52.1 Å²	52.1	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	123.4	171	-66.4	0	0	0	0	108	I241 Q242	I241-T252 VanDerWaalsContact O-CA 3.29Å; I241-T252 WeakPolarHBondContact O-CA 3.37Å; Q242-T252 HydrophobicContact CG-CG2 4.01Å; Q242-T252 PolarHBondContact NE2-OG1 2.91Å
253	N	94.1	Very high	86.8	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161	179.3	-154.7	7.2	0	0	0	111.5	N183 K240 I241 Y251 F416	N183-N253 PolarHBondContact ND2-ND2 3.09Å; N183-N253 PolarHBondContact OD1-ND2 3.27Å; K240-N253 WeakPolarHBondContact CA-O 3.48Å; I241-N253 PolarHBondContact N-O 2.7Å; I241-N253 PolarHBondContact O-N 3.38Å; Y251-N253 HydrophobicContact CE1-CB 3.92Å; Y251-N253 HydrophobicContact CE2-CB 3.98Å; Y251-N253 VanDerWaalsContact CZ-CB 3.46Å; Y251-N253 VanDerWaalsContact OH-CB 3.26Å; Y251-N253 WeakPolarHBondContact OH-CB 3.5Å; Y251-N253 PolarHBondContact OH-ND2 3.09Å; N253-F416 PolarHBondContact ND2-O 3.1Å; N253-F416 VanDerWaalsContact ND2-O 3.1Å; N253-F416 VanDerWaalsContact OD1-C 3.26Å; N253-F416 WeakPolarHBondContact OD1-CA 3.44Å; N253-F416 WeakPolarHBondContact OD1-CB 3.48Å
254	Y	95.4	Very high	85.3	Confident	20 Å²	20	53.3 Å²	53.3	8%	0.078	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.1	178.7	-60.8	-99.6	0	0	0	108.6	K240 K403 V404 D407 T408 F416	K240-Y254 HydrophobicContact CB-CD1 3.84Å; K240-Y254 HydrophobicContact CB-CE1 3.86Å; K240-Y254 HydrophobicContact CD-CD1 4.45Å; K240-Y254 HydrophobicContact CD-CE1 3.68Å; K240-Y254 HydrophobicContact CG-CD1 4.02Å; K240-Y254 HydrophobicContact CG-CE1 3.72Å; Y254-K403 HydrophobicContact CE1-CG 4.38Å; Y254-V404 HydrophobicContact CD1-CG2 3.78Å; Y254-V404 HydrophobicContact CD2-CG2 4.14Å; Y254-V404 HydrophobicContact CE1-CG2 4.32Å; Y254-V404 HydrophobicContact CG-CG2 3.69Å; Y254-D407 WeakPolarHBondContact CE1-OD2 3.33Å; Y254-D407 WeakPolarHBondContact OH-CB 3.33Å; Y254-D407 VanDerWaalsContact OH-CG 3.31Å; Y254-D407 PolarHBondContact OH-OD2 2.9Å; Y254-T408 HydrophobicContact CE2-CG2 4.41Å; Y254-F416 HydrophobicContact CD2-CE1 4.5Å
255	H	95.5	Very high	83.7	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.7	-175.6	-63.6	-81.2	0	0	0	110.9	F185 F239 Y251	F185-H255 PolarHBondContact O-CE1 2.86Å; F239-H255 HydrophobicContact CD1-CB 4.49Å; F239-H255 HydrophobicContact CD2-CB 4.16Å; F239-H255 HydrophobicContact CE1-CB 3.84Å; F239-H255 HydrophobicContact CE2-CB 3.48Å; F239-H255 VanDerWaalsContact CE2-CB 3.48Å; F239-H255 AromaticContact CE2-CD2 3.84Å; F239-H255 AromaticContact CE2-CG 3.88Å; F239-H255 HydrophobicContact CZ-CB 3.29Å; F239-H255 PolarHBondContact N-O 3.04Å; F239-H255 PolarHBondContact O-N 3.2Å; Y251-H255 PolarHBondContact OH-CE1 3.18Å; Y251-H255 VanDerWaalsContact OH-CE1 3.26Å; Y251-H255 PolarHBondContact OH-NE2 2.73Å
256	A	95.6	Very high	82.8	Confident	10 Å²	10	59.2 Å²	59.2	8%	0.083	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.4	174	0	0	0	0	0	109.4	D237 F238 L397 F400 Y428	D237-A256 CarbonylContact O-C 3.58Å; D237-A256 WeakPolarHBondContact O-CA 3.46Å; F238-A256 HydrophobicContact CD1-CB 3.93Å; F238-A256 HydrophobicContact CE1-CB 4.15Å; A256-L397 HydrophobicContact CB-CD1 4.15Å; A256-F400 HydrophobicContact CB-CD2 4.12Å; A256-F400 HydrophobicContact CB-CE2 4.24Å; A256-Y428 HydrophobicContact CB-CD2 3.97Å; A256-Y428 HydrophobicContact CB-CE2 4.46Å
257	T	95.8	Very high	82.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	39%	0.385	C	S	.	.			trans	-149.9	175.1	177.6	-170.7	0	0	0	0	108.6	A187 G190 L234 D237 F239 Y428 D431	A187-T257 HydrophobicContact CB-CG2 4.04Å; G190-T257 PolarHBondContact N-OG1 3.07Å; L234-T257 HydrophobicContact CD1-CG2 3.65Å; D237-T257 WeakPolarHBondContact CA-O 3.07Å; D237-T257 WeakPolarHBondContact CB-O 3.37Å; D237-T257 VanDerWaalsContact CG-O 3.26Å; D237-T257 PolarHBondContact O-N 3.31Å; F239-T257 HydrophobicContact CE1-CG2 4.09Å; T257-Y428 VanDerWaalsContact O-CE2 3.26Å; T257-Y428 WeakPolarHBondContact O-CE2 3.39Å; T257-D431 VanDerWaalsContact CA-OD2 3.29Å; T257-D431 WeakPolarHBondContact CA-OD2 3.22Å; T257-D431 WeakPolarHBondContact CB-OD2 3.41Å; T257-D431 PolarHBondContact OG1-OD2 2.76Å
258	I	97	Very high	83.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	37%	0.366	C	S	.	.			trans	-109	118.3	175.5	-65.1	-73.4	0	0	0	109.8	N189 G190 L370 H395 Y428 D431 F432 A435 Y436	N189-I258 CarbonylContact C-O 3.42Å; G190-I258 WeakPolarHBondContact CA-O 3.5Å; G190-I258 PolarHBondContact N-O 2.69Å; I258-L370 HydrophobicContact CD1-CD1 4.07Å; I258-H395 HydrophobicContact CD1-CB 4.12Å; I258-Y428 HydrophobicContact CD1-CD2 3.93Å; I258-Y428 HydrophobicContact CD1-CE1 4.08Å; I258-Y428 HydrophobicContact CD1-CE2 3.39Å; I258-Y428 HydrophobicContact CD1-CG 4.48Å; I258-Y428 VanDerWaalsContact CD1-CZ 3.47Å; I258-Y428 HydrophobicContact CG1-CD2 4.21Å; I258-Y428 HydrophobicContact CG1-CE2 4.06Å; I258-Y428 WeakPolarHBondContact CG1-O 3.45Å; I258-D431 HydrophobicContact CB-CB 4.37Å; I258-D431 HydrophobicContact CG1-CB 4.09Å; I258-D431 PolarHBondContact N-OD2 2.94Å; I258-F432 HydrophobicContact CD1-CB 3.99Å; I258-F432 HydrophobicContact CD1-CD2 4.21Å; I258-F432 HydrophobicContact CG1-CB 3.81Å; I258-F432 HydrophobicContact CG2-CD2 4.23Å; I258-A435 HydrophobicContact CB-CB 4.05Å; I258-A435 HydrophobicContact CG2-CB 3.63Å; I258-Y436 HydrophobicContact CG2-CD2 4.48Å; I258-Y436 HydrophobicContact CG2-CE2 4.16Å
259	V	95.8	Very high	84.3	Confident	35 Å²	35	61.9 Å²	61.9	21%	0.212	35%	0.346	C	S	.	.			trans	-93.8	104.7	164.6	-179.2	0	0	0	0	107.4	L234 T236 D237 K261 H395	L234-V259 HydrophobicContact CB-CG2 4.23Å; L234-V259 WeakPolarHBondContact O-CG2 3.45Å; T236-V259 VanDerWaalsContact C-CG2 3.47Å; T236-V259 WeakPolarHBondContact O-CG2 3.35Å; D237-V259 PolarHBondContact OD1-N 2.88Å; V259-K261 PolarHBondContact O-N 3.05Å; V259-K261 VanDerWaalsContact O-N 3.15Å; V259-H395 PolarHBondContact O-CE1 3.21Å
260	A	92.1	Very high	84.6	Confident	49 Å²	49	61.4 Å²	61.4	41%	0.405	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-56.2	121.4	-179.3	0	0	0	0	0	110.7	A435 Y436	A260-A435 HydrophobicContact CB-CB 4.49Å; A260-Y436 HydrophobicContact CB-CD1 4.37Å; A260-Y436 HydrophobicContact CB-CE1 4.19Å; A260-Y436 HydrophobicContact CB-CE2 4.3Å
261	K	90.2	Very high	84.9	Confident	85 Å²	85	56.8 Å²	56.8	37%	0.37	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-91.3	143.2	176.7	-58.1	-178	178.5	-178.4	0	110.1	V259 T263 D394 Y436	V259-K261 PolarHBondContact O-N 3.05Å; V259-K261 VanDerWaalsContact O-N 3.15Å; K261-T263 PolarHBondContact O-N 3.09Å; K261-D394 HydrophobicContact CD-CB 4.4Å; K261-D394 WeakPolarHBondContact CE-O 3.43Å; K261-D394 PolarHBondContact NZ-O 3.25Å; K261-Y436 PolarHBondContact N-OH 3.4Å; K261-Y436 WeakPolarHBondContact O-CE1 3.33Å; K261-Y436 PolarHBondContact O-OH 3.38Å
262	E	77.9	Confident	85	Confident	178 Å²	178	60.5 Å²	60.5	83%	0.832	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-57.8	121	169.3	-69.5	-175.2	172.9	0	0	109.8
263	T	65.6	Low	84.8	Confident	34 Å²	34	59 Å²	59	21%	0.209	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-91	128.3	178.9	42.8	0	0	0	0	110.8	K261 A368 Y436 Q440	K261-T263 PolarHBondContact O-N 3.09Å; T263-A368 HydrophobicContact CG2-CB 4.13Å; T263-Y436 HydrophobicContact CG2-CE1 4.13Å; T263-Q440 PolarHBondContact OG1-OE1 2.02Å; T263-Q440 VanDerWaalsContact OG1-OE1 3.14Å
264	V	59.3	Low	84.7	Confident	70 Å²	70	59.6 Å²	59.6	42%	0.424	35%	0.352	S	S	.	.			trans	25.6	101.3	165.7	-167.1	0	0	0	0	116.2	G266 K363	V264-G266 PolarHBondContact O-N 3.46Å; V264-K363 HydrophobicContact CG2-CD 4.12Å; V264-K363 HydrophobicContact CG2-CG 4.32Å
265	N	55.2	Low	84.3	Confident	163 Å²	163	67.2 Å²	67.2	87%	0.872	39%	0.389	S	S	*	.	S	Bend	trans	-71.7	29.1	169.7	-76.2	-16.7	0	0	0	114.2
266	G	64.2	Low	84	Confident	41 Å²	41	72 Å²	72	42%	0.423	41%	0.406	S	S	.	.	S	Bend	trans	-123.7	168	-170.3	0	0	0	0	0	113.9	V264 V268	V264-G266 PolarHBondContact O-N 3.46Å; G266-V268 PolarHBondContact O-N 3.4Å
267	T	75.1	Confident	83.9	Confident	147 Å²	147	72.8 Å²	72.8	90%	0.902	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-61.9	122.2	173	-39.3	0	0	0	0	109.7
268	V	84.9	Confident	83.9	Confident	72 Å²	72	73 Å²	73	44%	0.436	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-90.5	135.4	-178.5	176.7	0	0	0	0	110	G266 F365	G266-V268 PolarHBondContact O-N 3.4Å; V268-F365 WeakPolarHBondContact CG1-O 3.43Å
269	D	88.1	Confident	84	Confident	52 Å²	52	73.2 Å²	73.2	28%	0.278	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-66.5	131.2	174.6	-71.6	-21.5	0	0	0	110	R364 F365	D269-R364 PolarHBondContact N-O 2.98Å; D269-R364 IonicContact OD2-CZ 2.66Å; D269-R364 IonicContact OD2-NE 2.82Å; D269-R364 PolarHBondContact OD2-NE 2.62Å; D269-R364 VanDerWaalsContact OD2-NE 3.16Å; D269-R364 IonicContact OD2-NH2 3.17Å; D269-R364 PolarHBondContact OD2-NH2 3.13Å; D269-F365 HydrophobicContact CB-CD1 3.84Å; D269-F365 HydrophobicContact CB-CD2 4.37Å; D269-F365 HydrophobicContact CB-CE1 3.72Å; D269-F365 HydrophobicContact CB-CE2 4.25Å; D269-F365 HydrophobicContact CB-CG 4.18Å; D269-F365 HydrophobicContact CB-CZ 3.93Å; D269-F365 WeakPolarHBondContact O-CD1 3.4Å
270	P	88.3	Confident	84.1	Confident	108 Å²	108	71.6 Å²	71.6	70%	0.701	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-75.4	140.6	178.7	30.3	-33.9	0	0	0	111.3	F365	P270-F365 WeakPolarHBondContact O-CE1 3.5Å
271	V	92.5	Very high	84.4	Confident	20 Å²	20	69.2 Å²	69.2	12%	0.121	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-79.2	147.7	168.7	-67.7	0	0	0	0	111	F274 P277 F365 L552	V271-F274 HydrophobicContact CG2-CB 4.29Å; V271-P277 HydrophobicContact CG1-CB 3.89Å; V271-P277 HydrophobicContact CG1-CG 3.78Å; V271-P277 HydrophobicContact CG2-CB 4.44Å; V271-P277 HydrophobicContact CG2-CG 4.03Å; V271-F365 HydrophobicContact CG1-CD1 3.68Å; V271-F365 HydrophobicContact CG1-CE1 4.19Å; V271-L552 WeakPolarHBondContact CA-O 3.47Å; V271-L552 HydrophobicContact CG1-CD2 4.22Å
272	I	90.7	Very high	84.8	Confident	100 Å²	100	65.3 Å²	65.3	51%	0.513	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-106.8	128.8	178.4	-58.7	172.4	0	0	0	109.1	L552 N553 F554	I272-L552 PolarHBondContact N-O 3.3Å; I272-N553 WeakPolarHBondContact CB-OD1 3.49Å; I272-F554 WeakPolarHBondContact O-CB 3.35Å; I272-F554 PolarHBondContact O-N 2.81Å
273	G	88.2	Confident	85.7	Confident	40 Å²	40	56.9 Å²	56.9	41%	0.412	33%	0.327	S	S	.	.	S	Bend	trans	99.3	-11.7	178.1	0	0	0	0	0	115.2
274	F	90.5	Very high	87.2	Confident	18 Å²	18	55.2 Å²	55.2	8%	0.079	32%	0.317	C	S	.	.	S	Bend	trans	-128	150.8	176	-53.4	-78.4	0	0	0	110.8	V271 R276 L278 W519 F520 F524 L551 F554	V271-F274 HydrophobicContact CG2-CB 4.29Å; F274-R276 VanDerWaalsContact C-N 3.27Å; F274-R276 VanDerWaalsContact CB-O 3.31Å; F274-R276 WeakPolarHBondContact CB-O 3.45Å; F274-R276 PolarHBondContact O-N 3.3Å; F274-L278 HydrophobicContact CD1-CD1 4.32Å; F274-L278 HydrophobicContact CD1-CG 4.5Å; F274-L278 HydrophobicContact CE1-CD1 3.95Å; F274-L278 HydrophobicContact CZ-CD1 4.19Å; F274-W519 HydrophobicContact CD1-CH2 4.22Å; F274-W519 HydrophobicContact CE1-CH2 4.28Å; F274-F520 AromaticContact CE1-CE2 3.72Å; F274-F520 HydrophobicContact CE1-CE2 3.72Å; F274-F520 HydrophobicContact CE1-CZ 4.18Å; F274-F520 AromaticContact CZ-CE2 4Å; F274-F520 HydrophobicContact CZ-CE2 4Å; F274-F520 HydrophobicContact CZ-CZ 4.15Å; F274-F524 AromaticContact CD1-CE2 3.96Å; F274-F524 HydrophobicContact CD1-CE2 3.96Å; F274-F524 HydrophobicContact CD1-CZ 4.24Å; F274-F524 HydrophobicContact CE1-CD2 4.29Å; F274-F524 AromaticContact CE1-CE2 3.45Å; F274-F524 HydrophobicContact CE1-CE2 3.45Å; F274-F524 VanDerWaalsContact CE1-CE2 3.45Å; F274-F524 AromaticContact CE1-CZ 3.96Å; F274-F524 HydrophobicContact CE1-CZ 3.96Å; F274-F524 HydrophobicContact CZ-CE2 4.36Å; F274-L551 HydrophobicContact CZ-CD2 4.47Å; F274-F554 HydrophobicContact CD2-CB 4.44Å; F274-F554 HydrophobicContact CE1-CD2 4.5Å; F274-F554 HydrophobicContact CE2-CB 3.74Å; F274-F554 AromaticContact CE2-CD2 3.69Å; F274-F554 HydrophobicContact CE2-CD2 3.69Å; F274-F554 AromaticContact CE2-CG 3.92Å; F274-F554 HydrophobicContact CE2-CG 3.92Å; F274-F554 HydrophobicContact CZ-CB 4.13Å; F274-F554 AromaticContact CZ-CD2 3.39Å; F274-F554 HydrophobicContact CZ-CD2 3.39Å; F274-F554 AromaticContact CZ-CE2 3.86Å; F274-F554 HydrophobicContact CZ-CE2 3.86Å; F274-F554 AromaticContact CZ-CG 3.78Å; F274-F554 HydrophobicContact CZ-CG 3.78Å
275	E	87	Confident	88.9	Confident	181 Å²	181	52 Å²	52	85%	0.846	30%	0.297	S	S	*	.	S	Bend	trans	-68.7	-29.6	175.1	-73.2	160.3	-137.2	0	0	112.2	K523	E275-K523 IonicContact OE1-NZ 3.49Å; E275-K523 PolarHBondContact OE1-NZ 2.96Å
276	R	89.6	Confident	90.5	Very high	108 Å²	108	44.6 Å²	44.6	41%	0.408	26%	0.258	S	S	.	.	S	Bend	trans	-147.3	156	174.5	64.7	-179.8	-179.8	126.7	0.4	109.9	F274 R438 D481	F274-R276 VanDerWaalsContact C-N 3.27Å; F274-R276 VanDerWaalsContact CB-O 3.31Å; F274-R276 WeakPolarHBondContact CB-O 3.45Å; F274-R276 PolarHBondContact O-N 3.3Å; R276-R438 PolarHBondContact NH1-O 3.35Å; R276-D481 IonicContact CZ-OD2 2.65Å; R276-D481 IonicContact NH1-OD2 3.94Å; R276-D481 PolarHBondContact NH1-OD2 2.9Å; R276-D481 VanDerWaalsContact NH1-OD2 3.15Å; R276-D481 IonicContact NH2-OD2 3.27Å; R276-D481 PolarHBondContact NH2-OD2 2.92Å
277	P	93.3	Very high	91.7	Very high	27 Å²	27	43.5 Å²	43.5	18%	0.175	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-61.5	142.2	175.1	-14.5	26.7	0	0	0	111.2	V271 Y367 P441	V271-P277 HydrophobicContact CG1-CB 3.89Å; V271-P277 HydrophobicContact CG1-CG 3.78Å; V271-P277 HydrophobicContact CG2-CB 4.44Å; V271-P277 HydrophobicContact CG2-CG 4.03Å; P277-Y367 HydrophobicContact CB-CE2 3.61Å; P277-Y367 WeakPolarHBondContact CB-OH 3.44Å; P277-Y367 HydrophobicContact CG-CE2 4.36Å; P277-P441 HydrophobicContact CB-CB 3.94Å; P277-P441 HydrophobicContact CB-CG 4.28Å; P277-P441 HydrophobicContact CG-CB 4.42Å; P277-P441 HydrophobicContact CG-CG 4.23Å
278	L	96.5	Very high	92.6	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-83.6	148.5	174.7	-60.7	-179.7	0	0	0	110.8	F274 Y367 V483 W519 F520 L551	F274-L278 HydrophobicContact CD1-CD1 4.32Å; F274-L278 HydrophobicContact CD1-CG 4.5Å; F274-L278 HydrophobicContact CE1-CD1 3.95Å; F274-L278 HydrophobicContact CZ-CD1 4.19Å; L278-Y367 WeakPolarHBondContact O-CE1 3.45Å; L278-Y367 PolarHBondContact O-OH 3.03Å; L278-V483 HydrophobicContact CD1-CG2 4.07Å; L278-W519 HydrophobicContact CD1-CH2 4.29Å; L278-W519 HydrophobicContact CD1-CZ2 4.48Å; L278-W519 HydrophobicContact CD2-CH2 4.04Å; L278-W519 HydrophobicContact CD2-CZ2 3.67Å; L278-F520 HydrophobicContact CD1-CD2 4.3Å; L278-F520 HydrophobicContact CD1-CE2 3.85Å; L278-L551 HydrophobicContact CD1-CD2 4.48Å
279	N	98.1	Very high	93	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	149.3	168.4	-58.2	-48	0	0	0	110	F433 P441 K442 D481 T482 V483	N279-F433 HydrophobicContact CB-CE1 4.01Å; N279-F433 HydrophobicContact CB-CZ 4.41Å; N279-P441 WeakPolarHBondContact OD1-CA 3.18Å; N279-K442 CarbonylContact C-O 3.6Å; N279-K442 VanDerWaalsContact CA-O 3.29Å; N279-K442 WeakPolarHBondContact CA-O 3.39Å; N279-K442 HydrophobicContact CB-CB 4.46Å; N279-K442 PolarHBondContact OD1-N 3.13Å; N279-D481 WeakPolarHBondContact CB-O 3.09Å; N279-D481 PolarHBondContact N-O 3.4Å; N279-D481 VanDerWaalsContact ND2-CG 3.27Å; N279-D481 PolarHBondContact ND2-OD1 2.89Å; N279-T482 HydrophobicContact CB-CG2 4.04Å; N279-T482 WeakPolarHBondContact CB-OG1 3.37Å; N279-T482 CarbonylContact O-C 3.56Å; N279-T482 WeakPolarHBondContact O-CA 3.46Å; N279-V483 PolarHBondContact O-N 3.03Å
280	I	98.4	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.4	177.9	-61	166.9	0	0	0	107.3	I282 L362 Y367 K442 F443 A444 V483 L548 L551	I280-I282 HydrophobicContact CG2-CD1 4.36Å; I280-I282 HydrophobicContact CG2-CG1 4.19Å; I280-L362 HydrophobicContact CD1-CD1 4.26Å; I280-L362 HydrophobicContact CD1-CD2 4.13Å; I280-Y367 HydrophobicContact CD1-CE1 4.16Å; I280-Y367 HydrophobicContact CG1-CE1 4.4Å; I280-K442 PolarHBondContact N-O 3.3Å; I280-F443 HydrophobicContact CB-CD2 3.89Å; I280-F443 HydrophobicContact CD1-CD2 4.48Å; I280-F443 HydrophobicContact CG2-CD2 3.74Å; I280-F443 HydrophobicContact CG2-CE2 3.97Å; I280-F443 CarbonylContact O-C 3.58Å; I280-F443 VanDerWaalsContact O-CA 3.3Å; I280-F443 WeakPolarHBondContact O-CA 3.18Å; I280-A444 PolarHBondContact O-N 3.13Å; I280-V483 WeakPolarHBondContact CA-O 3.49Å; I280-L548 HydrophobicContact CD1-CD2 4.31Å; I280-L548 HydrophobicContact CG2-CD2 3.77Å; I280-L551 HydrophobicContact CD1-CD1 3.85Å; I280-L551 HydrophobicContact CG1-CD1 3.83Å
281	Y	98.6	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.8	174.9	179.7	-153.5	0	0	0	110.3	L283 V429 F433 A444 Q446 H469 F473 V483 F484 I485	Y281-L283 HydrophobicContact CE2-CB 4.27Å; Y281-V429 HydrophobicContact CD2-CG1 4.19Å; Y281-V429 HydrophobicContact CE1-CG1 4.08Å; Y281-V429 HydrophobicContact CE2-CG1 3.78Å; Y281-V429 HydrophobicContact CE2-CG2 4.34Å; Y281-F433 HydrophobicContact CG-CE2 4.46Å; Y281-A444 CarbonylContact C-O 3.47Å; Y281-A444 WeakPolarHBondContact CA-O 3.49Å; Y281-A444 HydrophobicContact CD2-CB 3.69Å; Y281-A444 HydrophobicContact CE2-CB 4.34Å; Y281-A444 HydrophobicContact CG-CB 4.42Å; Y281-Q446 HydrophobicContact CE2-CB 4.17Å; Y281-Q446 PolarHBondContact OH-OE1 2.88Å; Y281-H469 AromaticContact CE1-NE2 3.48Å; Y281-H469 WeakPolarHBondContact CE1-NE2 3.22Å; Y281-H469 AromaticContact CZ-NE2 3.61Å; Y281-H469 PolarHBondContact OH-NE2 3.26Å; Y281-F473 HydrophobicContact CD1-CE1 4.06Å; Y281-F473 HydrophobicContact CD1-CE2 4.28Å; Y281-F473 AromaticContact CD1-CZ 3.79Å; Y281-F473 HydrophobicContact CD1-CZ 3.79Å; Y281-F473 AromaticContact CE1-CE2 3.93Å; Y281-F473 HydrophobicContact CE1-CE2 3.93Å; Y281-F473 AromaticContact CE1-CZ 3.85Å; Y281-F473 HydrophobicContact CE1-CZ 3.85Å; Y281-V483 PolarHBondContact N-O 3.39Å; Y281-F484 AromaticContact CD1-CD1 3.93Å; Y281-F484 HydrophobicContact CD1-CD1 3.93Å; Y281-F484 AromaticContact CD1-CD2 3.66Å; Y281-F484 HydrophobicContact CD1-CD2 3.66Å; Y281-F484 AromaticContact CD1-CE1 3.63Å; Y281-F484 HydrophobicContact CD1-CE1 3.63Å; Y281-F484 AromaticContact CD1-CE2 3.38Å; Y281-F484 HydrophobicContact CD1-CE2 3.38Å; Y281-F484 AromaticContact CD1-CG 3.96Å; Y281-F484 HydrophobicContact CD1-CG 3.96Å; Y281-F484 AromaticContact CD1-CZ 3.38Å; Y281-F484 HydrophobicContact CD1-CZ 3.38Å; Y281-F484 HydrophobicContact CE1-CD1 4.41Å; Y281-F484 HydrophobicContact CE1-CD2 4.18Å; Y281-F484 AromaticContact CE1-CE1 3.65Å; Y281-F484 HydrophobicContact CE1-CE1 3.65Å; Y281-F484 AromaticContact CE1-CE2 3.41Å; Y281-F484 HydrophobicContact CE1-CE2 3.41Å; Y281-F484 VanDerWaalsContact CE1-CE2 3.41Å; Y281-F484 AromaticContact CE1-CZ 3.1Å; Y281-F484 HydrophobicContact CE1-CZ 3.1Å; Y281-F484 HydrophobicContact CG-CD2 4.03Å; Y281-F484 AromaticContact CG-CE2 3.98Å; Y281-F484 HydrophobicContact CG-CE2 3.98Å; Y281-F484 HydrophobicContact CG-CZ 4.4Å; Y281-F484 AromaticContact CZ-CZ 3.95Å; Y281-F484 CarbonylContact O-C 3.54Å; Y281-F484 WeakPolarHBondContact O-CA 3.44Å; Y281-F484 WeakPolarHBondContact O-CD2 3.41Å; Y281-I485 PolarHBondContact O-N 2.79Å
282	I	98.4	Very high	93.7	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	113.9	179.5	-53.8	179.5	0	0	0	108.5	I280 F443 A444 F445 Q446 I485 F487 L548	I280-I282 HydrophobicContact CG2-CD1 4.36Å; I280-I282 HydrophobicContact CG2-CG1 4.19Å; I282-F443 HydrophobicContact CD1-CE2 4.24Å; I282-A444 PolarHBondContact N-O 3.22Å; I282-F445 HydrophobicContact CB-CD2 3.81Å; I282-F445 HydrophobicContact CB-CE2 4.21Å; I282-F445 HydrophobicContact CB-CG 4.43Å; I282-F445 HydrophobicContact CD1-CD2 3.93Å; I282-F445 HydrophobicContact CD1-CE2 4.24Å; I282-F445 HydrophobicContact CG1-CD2 4.39Å; I282-F445 HydrophobicContact CG2-CD2 3.87Å; I282-F445 HydrophobicContact CG2-CE2 3.74Å; I282-F445 HydrophobicContact CG2-CZ 4.42Å; I282-F445 CarbonylContact O-C 3.46Å; I282-F445 WeakPolarHBondContact O-CA 3.27Å; I282-Q446 PolarHBondContact O-N 3.12Å; I282-I485 CarbonylContact C-O 3.54Å; I282-I485 VanDerWaalsContact CA-O 3.3Å; I282-I485 WeakPolarHBondContact CA-O 3.49Å; I282-I485 HydrophobicContact CG1-CB 4.26Å; I282-I485 HydrophobicContact CG1-CD1 4.41Å; I282-I485 HydrophobicContact CG2-CB 4.48Å; I282-I485 HydrophobicContact CG2-CG2 4.43Å; I282-F487 HydrophobicContact CG2-CD1 3.44Å; I282-F487 VanDerWaalsContact CG2-CD1 3.44Å; I282-F487 HydrophobicContact CG2-CE1 3.51Å; I282-L548 HydrophobicContact CD1-CD1 4.18Å; I282-L548 HydrophobicContact CD1-CD2 4.45Å
283	L	98	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.3	176.2	170.9	61.3	0	0	0	109.8	Y281 F285 L426 Q446 T466 F484 I485 V486 F487	Y281-L283 HydrophobicContact CE2-CB 4.27Å; L283-F285 HydrophobicContact CD1-CE2 4.37Å; L283-F285 HydrophobicContact CD1-CZ 4.39Å; L283-F285 HydrophobicContact CD2-CE2 4.23Å; L283-F285 HydrophobicContact CD2-CZ 4.4Å; L283-F285 HydrophobicContact CG-CE2 3.98Å; L283-F285 HydrophobicContact CG-CZ 4.37Å; L283-L426 HydrophobicContact CD1-CD2 4.42Å; L283-Q446 CarbonylContact C-O 3.41Å; L283-Q446 HydrophobicContact CD1-CB 4.45Å; L283-Q446 HydrophobicContact CD1-CG 4.26Å; L283-Q446 VanDerWaalsContact CD1-OE1 3.31Å; L283-T466 HydrophobicContact CD2-CG2 3.97Å; L283-F484 HydrophobicContact CB-CE2 3.78Å; L283-F484 HydrophobicContact CB-CZ 4.38Å; L283-F484 HydrophobicContact CD2-CE2 4.47Å; L283-F484 HydrophobicContact CD2-CZ 4.34Å; L283-I485 PolarHBondContact N-O 3.15Å; L283-V486 HydrophobicContact CB-CG2 4.48Å; L283-V486 HydrophobicContact CD2-CG1 4.4Å; L283-V486 HydrophobicContact CD2-CG2 4.46Å; L283-V486 HydrophobicContact CG-CG1 4.47Å; L283-V486 CarbonylContact O-C 3.39Å; L283-V486 WeakPolarHBondContact O-CA 3.37Å; L283-F487 PolarHBondContact O-N 3.38Å
284	G	95.8	Very high	94.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.4	-173.7	0	0	0	0	0	114.5	Q446 F447 H448 F487	G284-Q446 WeakPolarHBondContact CA-O 3.22Å; G284-Q446 PolarHBondContact N-O 3.02Å; G284-F447 WeakPolarHBondContact O-CA 3.22Å; G284-H448 PolarHBondContact O-N 3.43Å; G284-F487 CarbonylContact C-O 3.5Å; G284-F487 VanDerWaalsContact CA-O 3.27Å; G284-F487 WeakPolarHBondContact CA-O 3.3Å
285	F	94.8	Very high	94.5	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.013	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.8	174	-60.6	-93.9	0	0	0	111.6	L283 V288 F293 L297 H448 V459 A462 T466 V486 F487 S488 D489	L283-F285 HydrophobicContact CD1-CE2 4.37Å; L283-F285 HydrophobicContact CD1-CZ 4.39Å; L283-F285 HydrophobicContact CD2-CE2 4.23Å; L283-F285 HydrophobicContact CD2-CZ 4.4Å; L283-F285 HydrophobicContact CG-CE2 3.98Å; L283-F285 HydrophobicContact CG-CZ 4.37Å; F285-V288 HydrophobicContact CB-CB 4.36Å; F285-V288 HydrophobicContact CB-CG2 3.69Å; F285-F293 HydrophobicContact CD2-CE2 4.05Å; F285-F293 HydrophobicContact CE2-CE2 4.05Å; F285-L297 HydrophobicContact CE1-CD2 4.09Å; F285-L297 HydrophobicContact CE2-CD2 4.23Å; F285-L297 HydrophobicContact CZ-CD2 3.88Å; F285-H448 CarbonylContact C-O 3.48Å; F285-H448 WeakPolarHBondContact CA-O 3.38Å; F285-H448 HydrophobicContact CD1-CB 3.93Å; F285-H448 HydrophobicContact CE1-CB 4.29Å; F285-V459 HydrophobicContact CD1-CG2 4.38Å; F285-A462 HydrophobicContact CE1-CB 4.32Å; F285-T466 HydrophobicContact CZ-CG2 4.43Å; F285-V486 HydrophobicContact CE2-CG1 4.3Å; F285-F487 PolarHBondContact N-O 3.26Å; F285-F487 VanDerWaalsContact N-O 3.1Å; F285-S488 VanDerWaalsContact O-CA 3.24Å; F285-S488 WeakPolarHBondContact O-CA 3.33Å; F285-S488 VanDerWaalsContact O-CB 3.27Å; F285-S488 WeakPolarHBondContact O-CB 3.18Å; F285-D489 PolarHBondContact O-N 3.25Å
286	D	90.3	Very high	94.9	Very high	7 Å²	7	13.4 Å²	13.4	4%	0.037	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	116.6	173.6	163.4	14	0	0	0	110.5	F447 H448 S449 S452 H453 D489 H490	D286-F447 HydrophobicContact CB-CD1 4.48Å; D286-F447 HydrophobicContact CB-CE1 3.46Å; D286-F447 VanDerWaalsContact CB-CE1 3.46Å; D286-F447 HydrophobicContact CB-CZ 3.57Å; D286-H448 PolarHBondContact N-O 3Å; D286-S449 PolarHBondContact OD2-OG 2.69Å; D286-S452 CarbonylContact O-C 3.58Å; D286-S452 WeakPolarHBondContact O-CA 3.07Å; D286-S452 WeakPolarHBondContact O-CB 3.11Å; D286-S452 PolarHBondContact O-OG 3.07Å; D286-H453 VanDerWaalsContact O-CA 3.32Å; D286-H453 WeakPolarHBondContact O-CA 3.43Å; D286-H453 PolarHBondContact O-N 3.43Å; D286-H453 IonicContact OD1-CD2 3.96Å; D286-H453 PolarHBondContact OD1-CD2 3.49Å; D286-H453 IonicContact OD2-CD2 3.33Å; D286-H453 PolarHBondContact OD2-CD2 2.85Å; D286-H453 VanDerWaalsContact OD2-CD2 3.3Å; D286-D489 WeakPolarHBondContact CA-OD1 3.38Å; D286-H490 IonicContact OD1-CE1 2.76Å
287	S	89	Confident	95.2	Very high	17 Å²	17	8.3 Å²	8.3	12%	0.119	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	cis	-132.5	92.7	5.5	26.2	0	0	0	0	111.7	S452 H490	S287-S452 PolarHBondContact N-O 3.33Å; S287-H490 CarbonylContact C-O 3.49Å; S287-H490 WeakPolarHBondContact CA-O 3.23Å; S287-H490 WeakPolarHBondContact CB-CE1 3.26Å; S287-H490 WeakPolarHBondContact CB-ND1 3.13Å; S287-H490 VanDerWaalsContact CB-O 3.26Å; S287-H490 WeakPolarHBondContact CB-O 3.43Å
288	V	93.3	Very high	95.2	Very high	3 Å²	3	13 Å²	13	2%	0.018	6%	0.061	C	C	.	.			trans	-104.9	113.2	-168.3	-169.2	0	0	0	0	110.8	F285 T292 F293 L297 V459 S488 H490	F285-V288 HydrophobicContact CB-CB 4.36Å; F285-V288 HydrophobicContact CB-CG2 3.69Å; V288-T292 HydrophobicContact CG1-CG2 4.08Å; V288-F293 HydrophobicContact CG1-CB 3.76Å; V288-F293 HydrophobicContact CG1-CD2 4.07Å; V288-F293 HydrophobicContact CG1-CG 4.4Å; V288-L297 HydrophobicContact CG1-CD1 4.47Å; V288-V459 HydrophobicContact CG2-CG2 3.97Å; V288-S488 WeakPolarHBondContact O-CB 3.12Å; V288-S488 PolarHBondContact O-OG 3.08Å; V288-H490 PolarHBondContact N-O 3.28Å
289	S	94.2	Very high	95.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-65.1	157.7	170.6	71.1	0	0	0	0	111.1	M291 T292 F293 E506	S289-M291 PolarHBondContact O-N 3.28Å; S289-T292 PolarHBondContact O-N 2.86Å; S289-T292 VanDerWaalsContact O-N 3.09Å; S289-T292 VanDerWaalsContact OG-CB 3.25Å; S289-T292 WeakPolarHBondContact OG-CB 3.47Å; S289-T292 PolarHBondContact OG-N 2.75Å; S289-T292 PolarHBondContact OG-OG1 3.29Å; S289-F293 WeakPolarHBondContact O-CB 2.98Å; S289-F293 PolarHBondContact O-N 3.35Å; S289-E506 WeakPolarHBondContact CB-O 3.41Å; S289-E506 PolarHBondContact OG-OE2 2.83Å
290	R	95.6	Very high	95.3	Very high	23 Å²	23	17.1 Å²	17.1	9%	0.087	8%	0.08	C	C	.	.	H	α-helix	trans	-51.4	-45.5	173.1	175.7	177	169.8	-112.9	-0.9	112.2	F293 M294 E314 N509 F511	R290-F293 WeakPolarHBondContact O-CB 3.47Å; R290-F293 PolarHBondContact O-N 2.76Å; R290-M294 HydrophobicContact CG-SD 4.09Å; R290-M294 VanDerWaalsContact O-CG 3.3Å; R290-M294 WeakPolarHBondContact O-CG 3.41Å; R290-M294 PolarHBondContact O-N 2.95Å; R290-E314 IonicContact CZ-OE2 3.56Å; R290-E314 IonicContact NH1-OE2 2.69Å; R290-E314 VanDerWaalsContact NH2-CD 3.28Å; R290-E314 IonicContact NH2-OE2 3.11Å; R290-E314 PolarHBondContact NH2-OE2 2.96Å; R290-N509 PolarHBondContact N-O 2.75Å; R290-F511 HydrophobicContact CG-CD2 4.3Å
291	M	94.8	Very high	95.2	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.03	9%	0.09	C	C	.	.	H	α-helix	trans	-67.9	-39.8	-179.9	-66.9	-67.1	133.4	0	0	112.1	Q159 I161 S289 F293 M294 R295 E506	Q159-M291 HydrophobicContact CB-CE 3.87Å; Q159-M291 HydrophobicContact CB-CG 3.87Å; Q159-M291 HydrophobicContact CB-SD 4.06Å; I161-M291 HydrophobicContact CB-SD 4.23Å; S289-M291 PolarHBondContact O-N 3.28Å; M291-F293 VanDerWaalsContact C-N 3.35Å; M291-M294 HydrophobicContact CE-SD 4.33Å; M291-M294 PolarHBondContact O-N 3.19Å; M291-R295 WeakPolarHBondContact O-CB 3.37Å; M291-R295 WeakPolarHBondContact O-CG 3.47Å; M291-R295 PolarHBondContact O-N 3.27Å; M291-E506 HydrophobicContact CB-CG 4.12Å; M291-E506 WeakPolarHBondContact CB-OE1 3.25Å; M291-E506 HydrophobicContact CG-CG 4.17Å
292	T	93.5	Very high	95.2	Very high	10 Å²	10	24.3 Å²	24.3	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-39.6	175.8	-59.9	0	0	0	0	111	V288 S289 M294 R295 K296 L456 E506	V288-T292 HydrophobicContact CG1-CG2 4.08Å; S289-T292 PolarHBondContact O-N 2.86Å; S289-T292 VanDerWaalsContact O-N 3.09Å; S289-T292 VanDerWaalsContact OG-CB 3.25Å; S289-T292 WeakPolarHBondContact OG-CB 3.47Å; S289-T292 PolarHBondContact OG-N 2.75Å; S289-T292 PolarHBondContact OG-OG1 3.29Å; T292-M294 VanDerWaalsContact C-N 3.34Å; T292-M294 PolarHBondContact O-N 3.42Å; T292-R295 CarbonylContact O-C 3.56Å; T292-R295 PolarHBondContact O-N 3.19Å; T292-R295 VanDerWaalsContact O-N 3.07Å; T292-R295 PolarHBondContact OG1-NH2 3.28Å; T292-K296 HydrophobicContact CG2-CG 4.11Å; T292-K296 WeakPolarHBondContact O-CB 2.97Å; T292-K296 PolarHBondContact O-N 2.78Å; T292-L456 HydrophobicContact CG2-CB 4.36Å; T292-E506 PolarHBondContact OG1-OE2 2.81Å
293	F	96.2	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.5	-49.2	174.2	-163.4	-77.7	0	0	0	110.7	F285 V288 S289 R290 M291 R295 K296 L297 T300 Y301 I304 V486 F511	F285-F293 HydrophobicContact CD2-CE2 4.05Å; F285-F293 HydrophobicContact CE2-CE2 4.05Å; V288-F293 HydrophobicContact CG1-CB 3.76Å; V288-F293 HydrophobicContact CG1-CD2 4.07Å; V288-F293 HydrophobicContact CG1-CG 4.4Å; S289-F293 WeakPolarHBondContact O-CB 2.98Å; S289-F293 PolarHBondContact O-N 3.35Å; R290-F293 WeakPolarHBondContact O-CB 3.47Å; R290-F293 PolarHBondContact O-N 2.76Å; M291-F293 VanDerWaalsContact C-N 3.35Å; F293-R295 VanDerWaalsContact C-N 3.27Å; F293-R295 PolarHBondContact O-N 3.03Å; F293-K296 PolarHBondContact O-N 3.27Å; F293-L297 HydrophobicContact CD1-CB 4.11Å; F293-L297 HydrophobicContact CD2-CD1 4.25Å; F293-L297 HydrophobicContact CD2-CD2 4.26Å; F293-L297 HydrophobicContact CE1-CB 3.97Å; F293-L297 HydrophobicContact CE2-CB 4.45Å; F293-L297 HydrophobicContact CE2-CD2 3.77Å; F293-L297 HydrophobicContact CG-CB 4.41Å; F293-L297 HydrophobicContact CG-CD1 4.45Å; F293-L297 HydrophobicContact CZ-CB 4.15Å; F293-L297 HydrophobicContact CZ-CD2 3.95Å; F293-L297 CarbonylContact O-C 3.55Å; F293-L297 WeakPolarHBondContact O-CA 3.5Å; F293-L297 PolarHBondContact O-N 2.91Å; F293-T300 HydrophobicContact CE1-CG2 4.23Å; F293-T300 HydrophobicContact CZ-CG2 3.94Å; F293-Y301 HydrophobicContact CD1-CD2 4.37Å; F293-I304 HydrophobicContact CZ-CD1 4.48Å; F293-V486 HydrophobicContact CE2-CG1 4.23Å; F293-V486 HydrophobicContact CZ-CG1 4.07Å; F293-F511 HydrophobicContact CB-CB 3.68Å; F293-F511 HydrophobicContact CB-CD2 4.01Å; F293-F511 HydrophobicContact CB-CG 3.82Å; F293-F511 AromaticContact CD1-CD1 3.86Å; F293-F511 HydrophobicContact CD1-CD1 3.86Å; F293-F511 AromaticContact CD1-CD2 3.8Å; F293-F511 HydrophobicContact CD1-CD2 3.8Å; F293-F511 AromaticContact CD1-CE1 3.94Å; F293-F511 HydrophobicContact CD1-CE1 3.94Å; F293-F511 AromaticContact CD1-CE2 3.9Å; F293-F511 HydrophobicContact CD1-CE2 3.9Å; F293-F511 AromaticContact CD1-CG 3.79Å; F293-F511 HydrophobicContact CD1-CG 3.79Å; F293-F511 AromaticContact CD1-CZ 3.96Å; F293-F511 HydrophobicContact CD1-CZ 3.96Å; F293-F511 HydrophobicContact CD2-CB 3.77Å; F293-F511 AromaticContact CD2-CD1 3.56Å; F293-F511 HydrophobicContact CD2-CD1 3.56Å; F293-F511 HydrophobicContact CD2-CD2 4.47Å; F293-F511 HydrophobicContact CD2-CE1 4.28Å; F293-F511 AromaticContact CD2-CG 3.67Å; F293-F511 HydrophobicContact CD2-CG 3.67Å; F293-F511 AromaticContact CE1-CD1 3.86Å; F293-F511 HydrophobicContact CE1-CD1 3.86Å; F293-F511 HydrophobicContact CE1-CD2 4.41Å; F293-F511 AromaticContact CE1-CE1 3.58Å; F293-F511 HydrophobicContact CE1-CE1 3.58Å; F293-F511 HydrophobicContact CE1-CE2 4.2Å; F293-F511 HydrophobicContact CE1-CG 4.27Å; F293-F511 AromaticContact CE1-CZ 3.77Å; F293-F511 HydrophobicContact CE1-CZ 3.77Å; F293-F511 AromaticContact CE2-CD1 3.54Å; F293-F511 HydrophobicContact CE2-CD1 3.54Å; F293-F511 AromaticContact CE2-CE1 3.94Å; F293-F511 HydrophobicContact CE2-CE1 3.94Å; F293-F511 HydrophobicContact CE2-CG 4.15Å; F293-F511 HydrophobicContact CG-CB 3.76Å; F293-F511 AromaticContact CG-CD1 3.72Å; F293-F511 HydrophobicContact CG-CD1 3.72Å; F293-F511 AromaticContact CG-CD2 3.84Å; F293-F511 HydrophobicContact CG-CD2 3.84Å; F293-F511 HydrophobicContact CG-CE1 4.28Å; F293-F511 HydrophobicContact CG-CE2 4.41Å; F293-F511 AromaticContact CG-CG 3.47Å; F293-F511 HydrophobicContact CG-CG 3.47Å; F293-F511 VanDerWaalsContact CG-CG 3.47Å; F293-F511 AromaticContact CZ-CD1 3.7Å; F293-F511 HydrophobicContact CZ-CD1 3.7Å; F293-F511 AromaticContact CZ-CE1 3.58Å; F293-F511 HydrophobicContact CZ-CE1 3.58Å; F293-F511 HydrophobicContact CZ-CG 4.43Å; F293-F511 HydrophobicContact CZ-CZ 4.25Å
294	M	95.8	Very high	95.2	Very high	37 Å²	37	24.9 Å²	24.9	18%	0.182	11%	0.113	C	C	.	.	H	α-helix	trans	-64.8	-28.2	176.4	-66.4	171.2	69.3	0	0	113.3	I161 R290 M291 T292 K298 Y301	I161-M294 HydrophobicContact CD1-CB 3.85Å; I161-M294 HydrophobicContact CD1-CE 4.31Å; R290-M294 HydrophobicContact CG-SD 4.09Å; R290-M294 VanDerWaalsContact O-CG 3.3Å; R290-M294 WeakPolarHBondContact O-CG 3.41Å; R290-M294 PolarHBondContact O-N 2.95Å; M291-M294 HydrophobicContact CE-SD 4.33Å; M291-M294 PolarHBondContact O-N 3.19Å; T292-M294 VanDerWaalsContact C-N 3.34Å; T292-M294 PolarHBondContact O-N 3.42Å; M294-K298 WeakPolarHBondContact O-CG 3.5Å; M294-Y301 HydrophobicContact CE-CE1 4.23Å; M294-Y301 HydrophobicContact CG-CD1 4.46Å; M294-Y301 HydrophobicContact CG-CD2 3.85Å; M294-Y301 HydrophobicContact CG-CE1 4.41Å; M294-Y301 HydrophobicContact CG-CE2 3.77Å; M294-Y301 HydrophobicContact CG-CG 4.2Å; M294-Y301 HydrophobicContact SD-CE2 4.26Å
295	R	93.8	Very high	95.2	Very high	15 Å²	15	26.6 Å²	26.6	6%	0.057	12%	0.123	C	C	.	.	H	α-helix	trans	-81.1	-32.6	176.8	-77.7	-174.3	-67.8	-102	-1.2	113.6	I161 M291 T292 F293 K298 E506	I161-R295 HydrophobicContact CD1-CG 4.31Å; I161-R295 HydrophobicContact CG1-CG 3.68Å; I161-R295 WeakPolarHBondContact O-CD 3.33Å; I161-R295 PolarHBondContact O-NH1 2.64Å; I161-R295 VanDerWaalsContact O-NH1 3.1Å; M291-R295 WeakPolarHBondContact O-CB 3.37Å; M291-R295 WeakPolarHBondContact O-CG 3.47Å; M291-R295 PolarHBondContact O-N 3.27Å; T292-R295 CarbonylContact O-C 3.56Å; T292-R295 PolarHBondContact O-N 3.19Å; T292-R295 VanDerWaalsContact O-N 3.07Å; T292-R295 PolarHBondContact OG1-NH2 3.28Å; F293-R295 VanDerWaalsContact C-N 3.27Å; F293-R295 PolarHBondContact O-N 3.03Å; R295-K298 WeakPolarHBondContact O-CE 3.35Å; R295-E506 IonicContact CZ-OE1 3.72Å; R295-E506 IonicContact CZ-OE2 2.71Å; R295-E506 IonicContact NH1-OE1 2.8Å; R295-E506 PolarHBondContact NH1-OE1 3.21Å; R295-E506 VanDerWaalsContact NH1-OE1 3.09Å; R295-E506 IonicContact NH2-OE1 3.78Å; R295-E506 PolarHBondContact NH2-OE1 2.95Å; R295-E506 IonicContact NH2-OE2 2.66Å; R295-E506 PolarHBondContact NH2-OE2 3.3Å
296	K	94.5	Very high	95.3	Very high	12 Å²	12	33.8 Å²	33.8	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-117.5	-26.7	-165.9	-67	-72.9	177.5	178.7	0	114.5	H171 T292 F293 N457 V459 E460	H171-K296 PolarHBondContact O-NZ 3.1Å; T292-K296 HydrophobicContact CG2-CG 4.11Å; T292-K296 WeakPolarHBondContact O-CB 2.97Å; T292-K296 PolarHBondContact O-N 2.78Å; F293-K296 PolarHBondContact O-N 3.27Å; K296-N457 WeakPolarHBondContact CE-OD1 3.22Å; K296-N457 PolarHBondContact NZ-OD1 2.84Å; K296-V459 HydrophobicContact CB-CG1 3.54Å; K296-V459 HydrophobicContact CG-CG1 4.09Å; K296-E460 HydrophobicContact CB-CB 4.35Å; K296-E460 HydrophobicContact CD-CB 3.99Å; K296-E460 WeakPolarHBondContact CD-OE2 3.45Å; K296-E460 IonicContact NZ-OE2 3.54Å; K296-E460 PolarHBondContact NZ-OE2 3.22Å; K296-E460 WeakPolarHBondContact O-CA 3.42Å
297	L	95.4	Very high	95.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-112.3	58.4	173	-63.9	84	0	0	0	109.3	F285 V288 F293 Y301 V459 D463	F285-L297 HydrophobicContact CE1-CD2 4.09Å; F285-L297 HydrophobicContact CE2-CD2 4.23Å; F285-L297 HydrophobicContact CZ-CD2 3.88Å; V288-L297 HydrophobicContact CG1-CD1 4.47Å; F293-L297 HydrophobicContact CD1-CB 4.11Å; F293-L297 HydrophobicContact CD2-CD1 4.25Å; F293-L297 HydrophobicContact CD2-CD2 4.26Å; F293-L297 HydrophobicContact CE1-CB 3.97Å; F293-L297 HydrophobicContact CE2-CB 4.45Å; F293-L297 HydrophobicContact CE2-CD2 3.77Å; F293-L297 HydrophobicContact CG-CB 4.41Å; F293-L297 HydrophobicContact CG-CD1 4.45Å; F293-L297 HydrophobicContact CZ-CB 4.15Å; F293-L297 HydrophobicContact CZ-CD2 3.95Å; F293-L297 CarbonylContact O-C 3.55Å; F293-L297 WeakPolarHBondContact O-CA 3.5Å; F293-L297 PolarHBondContact O-N 2.91Å; L297-Y301 VanDerWaalsContact O-CB 3.31Å; L297-Y301 WeakPolarHBondContact O-CB 3.49Å; L297-Y301 PolarHBondContact O-N 3.44Å; L297-V459 HydrophobicContact CD1-CB 4.36Å; L297-V459 HydrophobicContact CD1-CG1 3.81Å; L297-V459 HydrophobicContact CD1-CG2 3.7Å; L297-D463 VanDerWaalsContact CA-CG 3.41Å; L297-D463 VanDerWaalsContact CA-OD1 3.27Å; L297-D463 WeakPolarHBondContact CA-OD1 3.33Å
298	K	95	Very high	95.9	Very high	127 Å²	127	36.9 Å²	36.9	55%	0.552	17%	0.172	S	C	*	.	H	α-helix	trans	-67.9	-46.5	-168.9	-65.4	-177.7	-172.9	178.4	0	111.4	M294 R295 Y301 K302 D463	M294-K298 WeakPolarHBondContact O-CG 3.5Å; R295-K298 WeakPolarHBondContact O-CE 3.35Å; K298-Y301 PolarHBondContact O-N 2.85Å; K298-K302 WeakPolarHBondContact O-CB 3.47Å; K298-K302 PolarHBondContact O-N 3.2Å; K298-D463 PolarHBondContact N-OD1 2.79Å; K298-D463 PolarHBondContact N-OD2 3.41Å
299	E	97.2	Very high	96	Very high	96 Å²	96	43 Å²	43	45%	0.449	21%	0.205	S	C	.	.	H	α-helix	trans	-72.9	-35.7	-177.7	-64.4	-52.4	126	0	0	110.6	K302 H303 D463 V467	E299-K302 PolarHBondContact O-N 3.17Å; E299-K302 IonicContact OE2-NZ 2.88Å; E299-K302 PolarHBondContact OE2-NZ 3.16Å; E299-H303 WeakPolarHBondContact O-CB 3.48Å; E299-H303 PolarHBondContact O-N 2.92Å; E299-D463 PolarHBondContact N-OD1 3.11Å; E299-D463 PolarHBondContact N-OD2 3.33Å; E299-V467 VanDerWaalsContact C-CG2 3.45Å; E299-V467 HydrophobicContact CB-CG2 3.78Å
300	T	97.7	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-51.8	171.7	-57.4	0	0	0	0	111	F293 K302 H303 I304 D463 T466 V467 L470	F293-T300 HydrophobicContact CE1-CG2 4.23Å; F293-T300 HydrophobicContact CZ-CG2 3.94Å; T300-K302 VanDerWaalsContact C-N 3.31Å; T300-K302 PolarHBondContact O-N 2.72Å; T300-H303 PolarHBondContact O-N 3.02Å; T300-I304 HydrophobicContact CG2-CD1 3.87Å; T300-I304 HydrophobicContact CG2-CG1 4.49Å; T300-I304 WeakPolarHBondContact O-CG1 3.03Å; T300-I304 PolarHBondContact O-N 3.26Å; T300-D463 VanDerWaalsContact CB-OD1 3.26Å; T300-D463 WeakPolarHBondContact CB-OD1 3.27Å; T300-D463 PolarHBondContact N-OD1 2.65Å; T300-D463 PolarHBondContact OG1-O 3.49Å; T300-D463 VanDerWaalsContact OG1-O 3.13Å; T300-D463 PolarHBondContact OG1-OD1 3.16Å; T300-T466 HydrophobicContact CG2-CG2 3.58Å; T300-V467 VanDerWaalsContact N-CG2 3.34Å; T300-L470 HydrophobicContact CG2-CD1 4.08Å
301	Y	98	Very high	96.3	Very high	52 Å²	52	43.6 Å²	43.6	20%	0.204	21%	0.212	C	C	.	.	H	α-helix	trans	-57.6	-44.3	178	177.5	-96.5	0	0	0	111.9	F293 M294 L297 K298 T305 V312 F511	F293-Y301 HydrophobicContact CD1-CD2 4.37Å; M294-Y301 HydrophobicContact CE-CE1 4.23Å; M294-Y301 HydrophobicContact CG-CD1 4.46Å; M294-Y301 HydrophobicContact CG-CD2 3.85Å; M294-Y301 HydrophobicContact CG-CE1 4.41Å; M294-Y301 HydrophobicContact CG-CE2 3.77Å; M294-Y301 HydrophobicContact CG-CG 4.2Å; M294-Y301 HydrophobicContact SD-CE2 4.26Å; L297-Y301 VanDerWaalsContact O-CB 3.31Å; L297-Y301 WeakPolarHBondContact O-CB 3.49Å; L297-Y301 PolarHBondContact O-N 3.44Å; K298-Y301 PolarHBondContact O-N 2.85Å; Y301-T305 HydrophobicContact CD2-CG2 4.35Å; Y301-T305 HydrophobicContact CE1-CG2 4.21Å; Y301-T305 HydrophobicContact CE2-CG2 3.95Å; Y301-T305 WeakPolarHBondContact O-CB 3.44Å; Y301-T305 WeakPolarHBondContact O-CG2 3.41Å; Y301-T305 PolarHBondContact O-N 3.01Å; Y301-T305 PolarHBondContact O-OG1 2.66Å; Y301-V312 HydrophobicContact CE2-CG2 4.05Å; Y301-F511 AromaticContact CD2-CE2 3.58Å; Y301-F511 HydrophobicContact CD2-CE2 3.58Å; Y301-F511 HydrophobicContact CD2-CZ 4Å; Y301-F511 AromaticContact CE2-CE2 3.76Å; Y301-F511 HydrophobicContact CE2-CE2 3.76Å; Y301-F511 HydrophobicContact CE2-CZ 4.44Å
302	K	97.4	Very high	96.4	Very high	99 Å²	99	44 Å²	44	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-63.1	-42.7	177.2	179.9	-175.1	168	-167.2	0	111.8	K298 E299 T300 T305 K306	K298-K302 WeakPolarHBondContact O-CB 3.47Å; K298-K302 PolarHBondContact O-N 3.2Å; E299-K302 PolarHBondContact O-N 3.17Å; E299-K302 IonicContact OE2-NZ 2.88Å; E299-K302 PolarHBondContact OE2-NZ 3.16Å; T300-K302 VanDerWaalsContact C-N 3.31Å; T300-K302 PolarHBondContact O-N 2.72Å; K302-T305 PolarHBondContact O-OG1 3.19Å; K302-K306 HydrophobicContact CG-CD 3.98Å; K302-K306 HydrophobicContact CG-CG 4.42Å; K302-K306 VanDerWaalsContact O-CB 3.25Å; K302-K306 WeakPolarHBondContact O-CB 3.41Å; K302-K306 PolarHBondContact O-N 3.18Å
303	H	98.1	Very high	96.6	Very high	15 Å²	15	43.6 Å²	43.6	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-47.6	178.8	-167.9	84.4	0	0	0	111.3	E299 T300 T305 V307 L308 L470	E299-H303 WeakPolarHBondContact O-CB 3.48Å; E299-H303 PolarHBondContact O-N 2.92Å; T300-H303 PolarHBondContact O-N 3.02Å; H303-T305 PolarHBondContact O-N 2.81Å; H303-V307 WeakPolarHBondContact O-CA 3.41Å; H303-V307 VanDerWaalsContact O-CB 3.27Å; H303-V307 WeakPolarHBondContact O-CB 3.47Å; H303-V307 PolarHBondContact O-N 2.92Å; H303-L308 PolarHBondContact O-N 2.93Å; H303-L470 HydrophobicContact CB-CD1 4.43Å
304	I	97.9	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55	-51.1	175.7	-68.6	169.8	0	0	0	110.9	F293 T300 L308 N309 G310 L470 V486 F511 I515	F293-I304 HydrophobicContact CZ-CD1 4.48Å; T300-I304 HydrophobicContact CG2-CD1 3.87Å; T300-I304 HydrophobicContact CG2-CG1 4.49Å; T300-I304 WeakPolarHBondContact O-CG1 3.03Å; T300-I304 PolarHBondContact O-N 3.26Å; I304-L308 CarbonylContact O-C 3.51Å; I304-N309 PolarHBondContact O-N 3.06Å; I304-G310 PolarHBondContact O-N 3.1Å; I304-L470 HydrophobicContact CD1-CD1 4.32Å; I304-L470 HydrophobicContact CG1-CD1 3.7Å; I304-V486 HydrophobicContact CD1-CB 4.09Å; I304-V486 HydrophobicContact CD1-CG1 4.16Å; I304-V486 HydrophobicContact CD1-CG2 3.91Å; I304-F511 HydrophobicContact CD1-CE1 4.36Å; I304-F511 HydrophobicContact CD1-CZ 4.49Å; I304-I515 HydrophobicContact CG1-CD1 4.44Å; I304-I515 HydrophobicContact CG2-CD1 4.25Å; I304-I515 HydrophobicContact CG2-CG1 4.36Å
305	T	97.2	Very high	96.4	Very high	35 Å²	35	44.8 Å²	44.8	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-80.8	-36.4	-170.7	53.2	0	0	0	0	114.1	Y301 K302 H303 V312	Y301-T305 HydrophobicContact CD2-CG2 4.35Å; Y301-T305 HydrophobicContact CE1-CG2 4.21Å; Y301-T305 HydrophobicContact CE2-CG2 3.95Å; Y301-T305 WeakPolarHBondContact O-CB 3.44Å; Y301-T305 WeakPolarHBondContact O-CG2 3.41Å; Y301-T305 PolarHBondContact O-N 3.01Å; Y301-T305 PolarHBondContact O-OG1 2.66Å; K302-T305 PolarHBondContact O-OG1 3.19Å; H303-T305 PolarHBondContact O-N 2.81Å; T305-V312 HydrophobicContact CG2-CG2 3.8Å
306	K	95.8	Very high	96.5	Very high	155 Å²	155	44.3 Å²	44.3	67%	0.674	22%	0.216	S	C	*	.	H	α-helix	trans	-101.6	-26.6	-173.2	-57.2	-168.3	-179.3	-174.6	0	114.5	K302	K302-K306 HydrophobicContact CG-CD 3.98Å; K302-K306 HydrophobicContact CG-CG 4.42Å; K302-K306 VanDerWaalsContact O-CB 3.25Å; K302-K306 WeakPolarHBondContact O-CB 3.41Å; K302-K306 PolarHBondContact O-N 3.18Å
307	V	96.6	Very high	96.6	Very high	69 Å²	69	43.7 Å²	43.7	42%	0.418	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-45.6	-177.6	-175.6	0	0	0	0	110.3	H303	H303-V307 WeakPolarHBondContact O-CA 3.41Å; H303-V307 VanDerWaalsContact O-CB 3.27Å; H303-V307 WeakPolarHBondContact O-CB 3.47Å; H303-V307 PolarHBondContact O-N 2.92Å
308	L	96.2	Very high	96.4	Very high	20 Å²	20	44 Å²	44	11%	0.105	22%	0.215	C	C	.	.	S	Bend	trans	-95.2	-1.1	-176.3	-55.7	-176	0	0	0	113.9	H303 I304 G310 L470 Q474 L479 I515	H303-L308 PolarHBondContact O-N 2.93Å; I304-L308 CarbonylContact O-C 3.51Å; L308-G310 PolarHBondContact O-N 3.34Å; L308-G310 VanDerWaalsContact O-N 3.15Å; L308-L470 HydrophobicContact CD1-CB 4.29Å; L308-L470 HydrophobicContact CD1-CD2 4.15Å; L308-Q474 HydrophobicContact CD2-CB 4.48Å; L308-Q474 HydrophobicContact CD2-CG 4.42Å; L308-L479 HydrophobicContact CD1-CD1 4.19Å; L308-L479 HydrophobicContact CD2-CD1 3.59Å; L308-L479 HydrophobicContact CG-CD1 4.47Å; L308-I515 HydrophobicContact CB-CD1 4.27Å; L308-I515 HydrophobicContact CB-CG1 4.4Å; L308-I515 HydrophobicContact CB-CG2 4.12Å; L308-I515 HydrophobicContact CD1-CD1 3.85Å
309	N	95.2	Very high	96.2	Very high	132 Å²	132	38.9 Å²	38.9	71%	0.706	19%	0.194	S	C	*	.			trans	51.1	35	-176.6	-66.3	-22.9	0	0	0	113.7	I304	I304-N309 PolarHBondContact O-N 3.06Å
310	G	97.1	Very high	95.5	Very high	9 Å²	9	34.9 Å²	34.9	9%	0.093	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-66.4	135	177.5	0	0	0	0	0	112.1	I304 L308 I514	I304-G310 PolarHBondContact O-N 3.1Å; L308-G310 PolarHBondContact O-N 3.34Å; L308-G310 VanDerWaalsContact O-N 3.15Å; G310-I514 CarbonylContact C-O 3.51Å; G310-I514 WeakPolarHBondContact CA-O 3.23Å
311	T	98.2	Very high	94.7	Very high	26 Å²	26	37.5 Å²	37.5	16%	0.16	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.1	176.1	-63	0	0	0	0	110.1	S513 I514 V531	T311-S513 CarbonylContact O-C 3.6Å; T311-S513 WeakPolarHBondContact O-CA 3.41Å; T311-I514 PolarHBondContact N-O 3.34Å; T311-I514 PolarHBondContact O-N 3.31Å; T311-V531 HydrophobicContact CG2-CG1 4.13Å
312	V	98.1	Very high	93.9	Very high	15 Å²	15	35.1 Å²	35.1	9%	0.091	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.7	175.8	-179.8	0	0	0	0	110	Y301 T305 E314 F511 V512 G535	Y301-V312 HydrophobicContact CE2-CG2 4.05Å; T305-V312 HydrophobicContact CG2-CG2 3.8Å; V312-E314 HydrophobicContact CB-CG 4.46Å; V312-E314 HydrophobicContact CG1-CG 4.09Å; V312-E314 PolarHBondContact O-N 2.94Å; V312-F511 HydrophobicContact CG1-CE2 4.03Å; V312-F511 HydrophobicContact CG2-CE2 4.16Å; V312-F511 HydrophobicContact CG2-CZ 4.35Å; V312-V512 WeakPolarHBondContact CA-O 3.2Å; V312-G535 WeakPolarHBondContact O-CA 3.47Å
313	L	97.4	Very high	93.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.168	C	C	.	.			trans	-86.4	86	173.6	-53.4	-175.2	0	0	0	109.6	M315 Y316 V512 L544 L569	L313-M315 PolarHBondContact O-N 3.5Å; L313-Y316 HydrophobicContact CD1-CD2 4.06Å; L313-Y316 WeakPolarHBondContact O-CB 3.42Å; L313-Y316 PolarHBondContact O-N 2.81Å; L313-V512 HydrophobicContact CB-CB 4.22Å; L313-V512 HydrophobicContact CD1-CB 4.3Å; L313-V512 HydrophobicContact CD1-CG1 3.79Å; L313-V512 HydrophobicContact CG-CB 4.42Å; L313-V512 HydrophobicContact CG-CG1 4.23Å; L313-V512 PolarHBondContact N-O 3.48Å; L313-L544 HydrophobicContact CD1-CD2 4.14Å; L313-L569 HydrophobicContact CD1-CD1 3.98Å; L313-L569 HydrophobicContact CD1-CD2 4.39Å; L313-L569 HydrophobicContact CD2-CD1 4.35Å; L313-L569 HydrophobicContact CD2-CD2 4.28Å
314	E	93.8	Very high	93.1	Very high	52 Å²	52	31.1 Å²	31.1	24%	0.243	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.3	-170.7	-62	-164.3	-136.9	0	0	114.6	K156 R290 V312 G535	K156-E314 WeakPolarHBondContact CE-OE2 3.29Å; K156-E314 VanDerWaalsContact NZ-CD 3.3Å; K156-E314 IonicContact NZ-OE1 2.74Å; K156-E314 IonicContact NZ-OE2 3.19Å; K156-E314 PolarHBondContact NZ-OE2 2.75Å; R290-E314 IonicContact CZ-OE2 3.56Å; R290-E314 IonicContact NH1-OE2 2.69Å; R290-E314 VanDerWaalsContact NH2-CD 3.28Å; R290-E314 IonicContact NH2-OE2 3.11Å; R290-E314 PolarHBondContact NH2-OE2 2.96Å; V312-E314 HydrophobicContact CB-CG 4.46Å; V312-E314 HydrophobicContact CG1-CG 4.09Å; V312-E314 PolarHBondContact O-N 2.94Å; E314-G535 PolarHBondContact N-O 3Å
315	M	93.2	Very high	92.7	Very high	11 Å²	11	32.3 Å²	32.3	5%	0.054	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	21.4	-179.6	-75.1	-175.4	68.9	0	0	112.5	C154 K156 L313 N317 R537 T539	C154-M315 HydrophobicContact CB-CE 4.01Å; C154-M315 VanDerWaalsContact SG-CE 3.56Å; K156-M315 HydrophobicContact CB-CE 4.13Å; K156-M315 HydrophobicContact CB-CG 4Å; K156-M315 HydrophobicContact CB-SD 3.69Å; K156-M315 HydrophobicContact CD-CG 3.99Å; K156-M315 HydrophobicContact CD-SD 4.26Å; K156-M315 HydrophobicContact CG-CG 3.72Å; K156-M315 HydrophobicContact CG-SD 4.08Å; L313-M315 PolarHBondContact O-N 3.5Å; M315-N317 PolarHBondContact O-N 3.4Å; M315-R537 VanDerWaalsContact CB-O 3.22Å; M315-R537 WeakPolarHBondContact CB-O 3.41Å; M315-T539 PolarHBondContact O-N 3.31Å
316	Y	97.1	Very high	92.5	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.016	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-64.2	132.4	175	-167.9	-92.6	0	0	0	111.1	L313 N509 P510 V512 T539 T540 P541 L544	L313-Y316 HydrophobicContact CD1-CD2 4.06Å; L313-Y316 WeakPolarHBondContact O-CB 3.42Å; L313-Y316 PolarHBondContact O-N 2.81Å; Y316-N509 PolarHBondContact O-ND2 3.4Å; Y316-P510 HydrophobicContact CD1-CG 3.75Å; Y316-P510 HydrophobicContact CE1-CG 3.98Å; Y316-V512 HydrophobicContact CD1-CG2 3.46Å; Y316-V512 VanDerWaalsContact CD1-CG2 3.46Å; Y316-V512 HydrophobicContact CD2-CB 4.35Å; Y316-V512 HydrophobicContact CD2-CG2 3.84Å; Y316-V512 HydrophobicContact CE1-CG2 3.64Å; Y316-V512 HydrophobicContact CE2-CG2 4.01Å; Y316-V512 HydrophobicContact CG-CB 4.27Å; Y316-V512 HydrophobicContact CG-CG2 3.53Å; Y316-T539 WeakPolarHBondContact CA-O 3.34Å; Y316-T540 VanDerWaalsContact CE2-C 3.42Å; Y316-P541 HydrophobicContact CE1-CG 4.4Å; Y316-P541 VanDerWaalsContact OH-CA 3.28Å; Y316-P541 WeakPolarHBondContact OH-CA 3.25Å; Y316-P541 WeakPolarHBondContact OH-CD 3.35Å; Y316-P541 VanDerWaalsContact OH-CG 3.26Å; Y316-P541 WeakPolarHBondContact OH-CG 2.98Å; Y316-L544 HydrophobicContact CE2-CD1 3.78Å; Y316-L544 HydrophobicContact CE2-CG 4.02Å; Y316-L544 WeakPolarHBondContact OH-CD1 3.43Å
317	N	95.3	Very high	92.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.139	C	C	.	.			trans	-126.6	133.3	-173.8	-161.5	113.7	0	0	0	111.1	M315 L538 T539 P541 I584 W588 S590	M315-N317 PolarHBondContact O-N 3.4Å; N317-L538 HydrophobicContact CB-CD1 3.84Å; N317-T539 PolarHBondContact N-O 2.64Å; N317-P541 WeakPolarHBondContact O-CD 3.41Å; N317-I584 HydrophobicContact CB-CD1 3.97Å; N317-W588 PolarHBondContact ND2-O 2.78Å; N317-S590 WeakPolarHBondContact OD1-CB 3.46Å; N317-S590 PolarHBondContact OD1-N 3.35Å; N317-S590 PolarHBondContact OD1-OG 2.98Å
318	I	92.8	Very high	92.5	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	12%	0.119	C	C	.	.			trans	-66.6	154.7	172.5	69.2	176.7	0	0	0	111.7	D489 H490 R508 P510 W588	I318-D489 WeakPolarHBondContact CG2-O 3.24Å; I318-H490 HydrophobicContact CG2-CB 4.15Å; I318-R508 HydrophobicContact CD1-CB 4.27Å; I318-R508 HydrophobicContact CD1-CG 4.01Å; I318-R508 HydrophobicContact CG1-CB 4.15Å; I318-R508 HydrophobicContact CG1-CG 4.26Å; I318-R508 PolarHBondContact N-O 3.4Å; I318-R508 VanDerWaalsContact N-O 3.12Å; I318-P510 HydrophobicContact CG2-CG 3.94Å; I318-W588 HydrophobicContact CD1-CE3 3.79Å; I318-W588 HydrophobicContact CD1-CZ3 4.13Å; I318-W588 HydrophobicContact CG1-CE3 4.31Å
319	V	89.6	Confident	92.5	Very high	21 Å²	21	19.3 Å²	19.3	13%	0.127	11%	0.114	C	C	.	.			trans	-110.9	-5.5	-179.3	-61.5	0	0	0	0	113.4	A325 P329 T540 P541 F542 I584	V319-A325 VanDerWaalsContact CG2-O 3.23Å; V319-A325 WeakPolarHBondContact CG2-O 3.46Å; V319-P329 HydrophobicContact CG2-CG 3.89Å; V319-T540 HydrophobicContact CG1-CG2 4.36Å; V319-P541 HydrophobicContact CG1-CG 4.45Å; V319-P541 HydrophobicContact CG2-CG 4.26Å; V319-F542 HydrophobicContact CB-CE2 4.23Å; V319-F542 HydrophobicContact CG1-CD2 4.27Å; V319-F542 HydrophobicContact CG1-CE2 3.84Å; V319-F542 HydrophobicContact CG2-CE2 4.14Å; V319-F542 HydrophobicContact CG2-CZ 4.4Å; V319-I584 HydrophobicContact CG1-CG1 4.3Å
320	G	83.8	Confident	92.6	Very high	11 Å²	11	13.1 Å²	13.1	11%	0.113	8%	0.081	C	C	.	.	S	Bend	trans	-170.9	-175.1	179.2	0	0	0	0	0	113
321	D	79.1	Confident	92.6	Very high	55 Å²	55	12.7 Å²	12.7	29%	0.294	8%	0.077	S	C	.	.	S	Bend	trans	-86.8	125	-176.3	-165.3	18.4	0	0	0	112.5	R493 W588	D321-R493 IonicContact OD1-CZ 3.85Å; D321-R493 IonicContact OD1-NE 3.59Å; D321-R493 PolarHBondContact OD1-NE 3.1Å; D321-R493 IonicContact OD1-NH2 3.72Å; D321-R493 PolarHBondContact OD1-NH2 3.06Å; D321-R493 IonicContact OD2-CZ 3.4Å; D321-R493 IonicContact OD2-NE 3.43Å; D321-R493 IonicContact OD2-NH2 3.21Å; D321-R493 PolarHBondContact OD2-NH2 3.36Å; D321-W588 HydrophobicContact CB-CH2 3.46Å; D321-W588 VanDerWaalsContact CB-CH2 3.46Å; D321-W588 HydrophobicContact CB-CZ2 3.57Å; D321-W588 HydrophobicContact CB-CZ3 4.46Å
322	G	82.6	Confident	92.6	Very high	3 Å²	3	11.9 Å²	11.9	3%	0.031	7%	0.072	C	C	.	.	S	Bend	trans	83.3	173.3	172.1	0	0	0	0	0	115.6	A325 H490	G322-A325 PolarHBondContact O-N 3.15Å; G322-H490 VanDerWaalsContact CA-CD2 3.44Å; G322-H490 WeakPolarHBondContact CA-CD2 3.44Å; G322-H490 VanDerWaalsContact CA-NE2 3.3Å; G322-H490 WeakPolarHBondContact CA-NE2 3.18Å
323	T	89.7	Confident	92.5	Very high	16 Å²	16	12 Å²	12	10%	0.098	8%	0.076	C	C	.	.	H	α-helix	trans	-55.6	-45.2	-175.3	-43.9	0	0	0	0	114.8	A325 A326 L327 T380 F447 D489 H490	T323-A325 VanDerWaalsContact C-N 3.26Å; T323-A325 PolarHBondContact O-N 3.2Å; T323-A326 PolarHBondContact O-N 2.95Å; T323-L327 HydrophobicContact CG2-CD1 3.72Å; T323-L327 HydrophobicContact CG2-CD2 3.91Å; T323-L327 HydrophobicContact CG2-CG 4.36Å; T323-L327 WeakPolarHBondContact O-CD1 3.35Å; T323-L327 PolarHBondContact O-N 3.23Å; T323-T380 HydrophobicContact CG2-CG2 3.87Å; T323-F447 HydrophobicContact CG2-CE1 3.58Å; T323-F447 HydrophobicContact CG2-CZ 3.62Å; T323-D489 WeakPolarHBondContact CA-OD2 3.37Å; T323-D489 VanDerWaalsContact CB-OD2 3.26Å; T323-D489 WeakPolarHBondContact CB-OD2 3.42Å; T323-D489 HydrophobicContact CG2-CB 4.35Å; T323-D489 WeakPolarHBondContact CG2-OD2 3.38Å; T323-D489 PolarHBondContact OG1-OD2 3.02Å; T323-H490 PolarHBondContact N-NE2 2.91Å
324	P	89.6	Confident	92.3	Very high	13 Å²	13	15.8 Å²	15.8	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-34.1	-179.8	-25.5	37	0	0	0	113.3	A326 L328 T380	P324-A326 PolarHBondContact O-N 3.21Å; P324-L328 HydrophobicContact CB-CD1 4.27Å; P324-L328 VanDerWaalsContact O-CB 3.26Å; P324-L328 WeakPolarHBondContact O-CB 3.48Å; P324-L328 WeakPolarHBondContact O-CG 3.42Å; P324-L328 PolarHBondContact O-N 3.17Å; P324-T380 HydrophobicContact CG-CG2 4.31Å
325	A	88.8	Confident	92.1	Very high	25 Å²	25	14.7 Å²	14.7	21%	0.207	9%	0.089	C	C	.	.	H	α-helix	trans	-71.7	-17.6	178	0	0	0	0	0	113	V319 G322 T323 P329	V319-A325 VanDerWaalsContact CG2-O 3.23Å; V319-A325 WeakPolarHBondContact CG2-O 3.46Å; G322-A325 PolarHBondContact O-N 3.15Å; T323-A325 VanDerWaalsContact C-N 3.26Å; T323-A325 PolarHBondContact O-N 3.2Å; A325-P329 WeakPolarHBondContact O-CD 3.34Å; A325-P329 WeakPolarHBondContact O-CG 3.44Å
326	A	93.1	Very high	91.7	Very high	5 Å²	5	14.7 Å²	14.7	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-89.8	-47.6	171.7	0	0	0	0	0	111.7	T323 P324 I330 D489	T323-A326 PolarHBondContact O-N 2.95Å; P324-A326 PolarHBondContact O-N 3.21Å; A326-I330 WeakPolarHBondContact O-CG1 3.16Å; A326-D489 HydrophobicContact CB-CB 3.78Å; A326-D489 WeakPolarHBondContact CB-O 3.36Å
327	L	95.6	Very high	91	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-77.9	-39.9	-170.5	-86.4	61.6	0	0	0	113.1	T323 I330 L331 T380 F445 F447 F487 D489	T323-L327 HydrophobicContact CG2-CD1 3.72Å; T323-L327 HydrophobicContact CG2-CD2 3.91Å; T323-L327 HydrophobicContact CG2-CG 4.36Å; T323-L327 WeakPolarHBondContact O-CD1 3.35Å; T323-L327 PolarHBondContact O-N 3.23Å; L327-I330 PolarHBondContact O-N 3.43Å; L327-L331 HydrophobicContact CB-CD1 4.32Å; L327-L331 WeakPolarHBondContact O-CB 3.28Å; L327-L331 WeakPolarHBondContact O-CG 3.47Å; L327-L331 PolarHBondContact O-N 2.65Å; L327-T380 HydrophobicContact CD2-CG2 4.01Å; L327-F445 HydrophobicContact CD2-CE1 4.08Å; L327-F445 HydrophobicContact CD2-CZ 4.13Å; L327-F445 HydrophobicContact CG-CE1 4.5Å; L327-F445 HydrophobicContact CG-CZ 4.04Å; L327-F447 HydrophobicContact CD1-CE2 3.98Å; L327-F447 HydrophobicContact CD1-CZ 4.11Å; L327-F447 HydrophobicContact CD2-CD2 4.39Å; L327-F447 HydrophobicContact CD2-CE2 4.35Å; L327-F447 HydrophobicContact CD2-CZ 4.46Å; L327-F487 HydrophobicContact CD1-CE2 4.08Å; L327-F487 HydrophobicContact CD1-CZ 4.1Å; L327-D489 HydrophobicContact CD1-CB 3.95Å
328	L	95.7	Very high	90.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.8	-45.9	-179.3	-70.2	171.6	0	0	0	112	P324 I330 L331 T332 K334 E336 L339 Y355 F357 Y381	P324-L328 HydrophobicContact CB-CD1 4.27Å; P324-L328 VanDerWaalsContact O-CB 3.26Å; P324-L328 WeakPolarHBondContact O-CB 3.48Å; P324-L328 WeakPolarHBondContact O-CG 3.42Å; P324-L328 PolarHBondContact O-N 3.17Å; L328-I330 PolarHBondContact O-N 3.26Å; L328-L331 PolarHBondContact O-N 2.97Å; L328-T332 HydrophobicContact CD2-CG2 4.46Å; L328-T332 WeakPolarHBondContact O-CA 3.47Å; L328-T332 WeakPolarHBondContact O-CB 3.32Å; L328-T332 PolarHBondContact O-N 3.14Å; L328-T332 PolarHBondContact O-OG1 3.01Å; L328-K334 CarbonylContact C-O 2.93Å; L328-E336 HydrophobicContact CD1-CB 3.87Å; L328-E336 HydrophobicContact CD1-CG 4.2Å; L328-L339 HydrophobicContact CB-CD1 4.45Å; L328-L339 HydrophobicContact CD1-CD1 4.26Å; L328-L339 HydrophobicContact CD2-CD1 4.11Å; L328-Y355 HydrophobicContact CD1-CE2 4.42Å; L328-Y355 HydrophobicContact CD2-CD2 3.72Å; L328-Y355 HydrophobicContact CD2-CE2 3.81Å; L328-F357 HydrophobicContact CD2-CE1 4.21Å; L328-Y381 HydrophobicContact CD2-CE1 3.81Å; L328-Y381 HydrophobicContact CG-CE1 4.34Å
329	P	96.8	Very high	90.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-58.3	-40.6	173.2	-34.5	42.4	0	0	0	115	V319 A325 G333 K334 P541 F542 H545	V319-P329 HydrophobicContact CG2-CG 3.89Å; A325-P329 WeakPolarHBondContact O-CD 3.34Å; A325-P329 WeakPolarHBondContact O-CG 3.44Å; P329-G333 WeakPolarHBondContact O-CA 3.31Å; P329-G333 PolarHBondContact O-N 3.07Å; P329-K334 WeakPolarHBondContact CA-O 3.09Å; P329-P541 HydrophobicContact CB-CB 3.44Å; P329-P541 VanDerWaalsContact CB-CB 3.44Å; P329-P541 HydrophobicContact CB-CG 4.46Å; P329-P541 HydrophobicContact CG-CB 4.32Å; P329-F542 HydrophobicContact CB-CD1 3.93Å; P329-F542 HydrophobicContact CB-CE1 3.5Å; P329-F542 HydrophobicContact CB-CE2 4.41Å; P329-F542 HydrophobicContact CB-CZ 3.73Å; P329-F542 HydrophobicContact CG-CE1 3.96Å; P329-F542 HydrophobicContact CG-CZ 3.8Å; P329-H545 WeakPolarHBondContact O-CB 3.36Å
330	I	97.6	Very high	90.5	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.015	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-45.6	177	-63.4	173.5	0	0	0	110.1	A326 L327 L328 F487 P541 L544 H545 L548	A326-I330 WeakPolarHBondContact O-CG1 3.16Å; L327-I330 PolarHBondContact O-N 3.43Å; L328-I330 PolarHBondContact O-N 3.26Å; I330-F487 HydrophobicContact CD1-CD2 4.25Å; I330-F487 HydrophobicContact CD1-CE2 4.03Å; I330-P541 HydrophobicContact CG1-CB 3.83Å; I330-L544 HydrophobicContact CD1-CD1 3.93Å; I330-L544 HydrophobicContact CG1-CB 4.41Å; I330-L544 HydrophobicContact CG1-CD1 4.18Å; I330-L544 HydrophobicContact CG2-CB 4.46Å; I330-H545 WeakPolarHBondContact O-CB 3.18Å; I330-H545 PolarHBondContact O-ND1 3.1Å; I330-L548 HydrophobicContact CG2-CD1 4.37Å
331	L	97.7	Very high	90.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-89.7	-16.8	-168.6	-62.9	168.7	0	0	0	113.6	L327 L328 F357 I358 W359 Y381 F443 F445	L327-L331 HydrophobicContact CB-CD1 4.32Å; L327-L331 WeakPolarHBondContact O-CB 3.28Å; L327-L331 WeakPolarHBondContact O-CG 3.47Å; L327-L331 PolarHBondContact O-N 2.65Å; L328-L331 PolarHBondContact O-N 2.97Å; L331-F357 HydrophobicContact CB-CD1 3.91Å; L331-F357 HydrophobicContact CB-CE1 4.44Å; L331-F357 CarbonylContact O-C 3.5Å; L331-F357 WeakPolarHBondContact O-CA 3.37Å; L331-I358 HydrophobicContact CD2-CG2 4.16Å; L331-I358 WeakPolarHBondContact O-CB 3.46Å; L331-I358 PolarHBondContact O-N 2.6Å; L331-W359 HydrophobicContact CB-CZ3 4.32Å; L331-W359 HydrophobicContact CD1-CH2 4.02Å; L331-W359 HydrophobicContact CD1-CZ3 3.58Å; L331-W359 HydrophobicContact CD2-CE3 4Å; L331-W359 HydrophobicContact CD2-CZ3 3.68Å; L331-W359 HydrophobicContact CG-CZ3 4.05Å; L331-Y381 VanDerWaalsContact CD1-OH 3.28Å; L331-Y381 WeakPolarHBondContact CD1-OH 3.41Å; L331-F443 HydrophobicContact CD2-CZ 4.42Å; L331-F445 HydrophobicContact CD1-CE2 4.43Å; L331-F445 HydrophobicContact CD2-CD2 3.88Å; L331-F445 HydrophobicContact CD2-CE2 3.9Å; L331-F445 HydrophobicContact CG-CE2 4.37Å
332	T	97.2	Very high	91.2	Very high	9 Å²	9	19.5 Å²	19.5	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-132.1	-13.4	-175.7	72.3	0	0	0	0	114.2	L328 K334 F357	L328-T332 HydrophobicContact CD2-CG2 4.46Å; L328-T332 WeakPolarHBondContact O-CA 3.47Å; L328-T332 WeakPolarHBondContact O-CB 3.32Å; L328-T332 PolarHBondContact O-N 3.14Å; L328-T332 PolarHBondContact O-OG1 3.01Å; T332-K334 PolarHBondContact O-N 3.34Å; T332-K334 PolarHBondContact OG1-N 3.45Å; T332-K334 PolarHBondContact OG1-O 3.47Å; T332-F357 HydrophobicContact CG2-CD1 3.81Å; T332-F357 HydrophobicContact CG2-CE1 4.15Å; T332-F357 HydrophobicContact CG2-CG 4.41Å
333	G	95.9	Very high	91.4	Very high	17 Å²	17	19.9 Å²	19.9	18%	0.175	11%	0.111	C	C	.	.	S	Bend	trans	72.6	7.2	-172.3	0	0	0	0	0	114.5	P329 F542 H545 R565	P329-G333 WeakPolarHBondContact O-CA 3.31Å; P329-G333 PolarHBondContact O-N 3.07Å; G333-F542 WeakPolarHBondContact O-CD1 3.13Å; G333-F542 WeakPolarHBondContact O-CE1 3.33Å; G333-H545 PolarHBondContact N-CE1 2.82Å; G333-H545 PolarHBondContact N-ND1 3.25Å; G333-R565 PolarHBondContact O-NH1 3.03Å
334	K	94.4	Very high	91	Very high	80 Å²	80	25.9 Å²	25.9	35%	0.348	13%	0.132	S	C	.	.	S	Bend	trans	-129.3	153.8	-172.9	-63.1	-171.9	176.5	-162	0	112.5	L328 P329 T332 E338 L339	L328-K334 CarbonylContact C-O 2.93Å; P329-K334 WeakPolarHBondContact CA-O 3.09Å; T332-K334 PolarHBondContact O-N 3.34Å; T332-K334 PolarHBondContact OG1-N 3.45Å; T332-K334 PolarHBondContact OG1-O 3.47Å; K334-E338 VanDerWaalsContact CA-OE2 3.31Å; K334-E338 WeakPolarHBondContact CA-OE2 3.35Å; K334-E338 HydrophobicContact CB-CB 4.12Å; K334-E338 HydrophobicContact CD-CB 4.46Å; K334-L339 HydrophobicContact CB-CD1 4.45Å; K334-L339 HydrophobicContact CB-CD2 4.12Å; K334-L339 HydrophobicContact CB-CG 4.05Å; K334-L339 HydrophobicContact CD-CD2 3.91Å
335	T	89.6	Confident	90.2	Very high	30 Å²	30	26.1 Å²	26.1	18%	0.184	13%	0.134	C	C	.	.			trans	-78.4	167.2	166.7	77.1	0	0	0	0	110.5	E337 E338 L339 F542	T335-E337 VanDerWaalsContact C-N 3.27Å; T335-E337 WeakPolarHBondContact CB-OE2 3.41Å; T335-E337 PolarHBondContact O-N 3.04Å; T335-E337 PolarHBondContact OG1-N 3.25Å; T335-E337 PolarHBondContact OG1-OE2 3.34Å; T335-E338 PolarHBondContact N-OE2 3.19Å; T335-E338 PolarHBondContact O-N 3.49Å; T335-L339 WeakPolarHBondContact O-CG 3.36Å; T335-L339 PolarHBondContact O-N 3.11Å; T335-F542 HydrophobicContact CG2-CZ 3.94Å
336	E	84.7	Confident	89.6	Confident	11 Å²	11	29.3 Å²	29.3	5%	0.051	14%	0.141	C	C	.	.	S	Bend	trans	-62.7	-34.7	177.9	-173.4	-175.8	143.6	0	0	112.8	Y139 L328 E338 L339 R384	Y139-E336 HydrophobicContact CE1-CG 4.17Å; Y139-E336 PolarHBondContact OH-OE1 3.4Å; L328-E336 HydrophobicContact CD1-CB 3.87Å; L328-E336 HydrophobicContact CD1-CG 4.2Å; E336-E338 VanDerWaalsContact C-N 3.28Å; E336-E338 PolarHBondContact O-N 3.26Å; E336-L339 WeakPolarHBondContact O-CB 3.34Å; E336-L339 PolarHBondContact O-N 3.4Å; E336-L339 VanDerWaalsContact O-N 3.11Å; E336-R384 IonicContact OE1-CZ 3.53Å; E336-R384 IonicContact OE1-NH1 3.84Å; E336-R384 PolarHBondContact OE1-NH1 2.88Å; E336-R384 IonicContact OE2-CZ 2.74Å; E336-R384 IonicContact OE2-NH1 3.02Å; E336-R384 PolarHBondContact OE2-NH1 2.87Å; E336-R384 IonicContact OE2-NH2 3.96Å; E336-R384 PolarHBondContact OE2-NH2 2.91Å
337	E	80.9	Confident	88.7	Confident	44 Å²	44	40.7 Å²	40.7	21%	0.206	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.5	-178.2	-55	84.8	172.7	0	0	112.9	Y139 G140 T335 L339	Y139-E337 HydrophobicContact CE2-CG 4.35Å; G140-E337 PolarHBondContact N-O 2.93Å; T335-E337 VanDerWaalsContact C-N 3.27Å; T335-E337 WeakPolarHBondContact CB-OE2 3.41Å; T335-E337 PolarHBondContact O-N 3.04Å; T335-E337 PolarHBondContact OG1-N 3.25Å; T335-E337 PolarHBondContact OG1-OE2 3.34Å; E337-L339 VanDerWaalsContact C-N 3.26Å
338	E	86.8	Confident	88.1	Confident	43 Å²	43	48.3 Å²	48.3	20%	0.201	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.8	173.2	-64.9	175.6	136.9	0	0	112.3	K334 T335 E336 R565	K334-E338 VanDerWaalsContact CA-OE2 3.31Å; K334-E338 WeakPolarHBondContact CA-OE2 3.35Å; K334-E338 HydrophobicContact CB-CB 4.12Å; K334-E338 HydrophobicContact CD-CB 4.46Å; T335-E338 PolarHBondContact N-OE2 3.19Å; T335-E338 PolarHBondContact O-N 3.49Å; E336-E338 VanDerWaalsContact C-N 3.28Å; E336-E338 PolarHBondContact O-N 3.26Å; E338-R565 IonicContact OE1-NH1 3.65Å; E338-R565 PolarHBondContact OE1-NH1 2.89Å; E338-R565 IonicContact OE2-CZ 3.01Å; E338-R565 IonicContact OE2-NH1 3.8Å; E338-R565 PolarHBondContact OE2-NH1 2.97Å; E338-R565 IonicContact OE2-NH2 3.92Å
339	L	90.7	Very high	87.7	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	23%	0.227	C	C	.	.	S	Bend	trans	-102.5	160.3	-178.3	-69.1	169.6	0	0	0	111.5	L328 K334 T335 E336 E337 Y355 P356	L328-L339 HydrophobicContact CB-CD1 4.45Å; L328-L339 HydrophobicContact CD1-CD1 4.26Å; L328-L339 HydrophobicContact CD2-CD1 4.11Å; K334-L339 HydrophobicContact CB-CD1 4.45Å; K334-L339 HydrophobicContact CB-CD2 4.12Å; K334-L339 HydrophobicContact CB-CG 4.05Å; K334-L339 HydrophobicContact CD-CD2 3.91Å; T335-L339 WeakPolarHBondContact O-CG 3.36Å; T335-L339 PolarHBondContact O-N 3.11Å; E336-L339 WeakPolarHBondContact O-CB 3.34Å; E336-L339 PolarHBondContact O-N 3.4Å; E336-L339 VanDerWaalsContact O-N 3.11Å; E337-L339 VanDerWaalsContact C-N 3.26Å; L339-Y355 HydrophobicContact CB-CD1 4.02Å; L339-Y355 HydrophobicContact CB-CE1 3.58Å; L339-Y355 HydrophobicContact CD1-CD1 4.26Å; L339-Y355 HydrophobicContact CD1-CD2 4.01Å; L339-Y355 HydrophobicContact CD1-CE1 4.26Å; L339-Y355 HydrophobicContact CD1-CE2 4Å; L339-Y355 HydrophobicContact CD1-CG 4.13Å; L339-Y355 HydrophobicContact CD2-CD1 4.11Å; L339-Y355 HydrophobicContact CD2-CG 4.37Å; L339-Y355 HydrophobicContact CG-CD1 4.37Å; L339-Y355 HydrophobicContact CG-CE1 4.34Å; L339-P356 HydrophobicContact CD2-CG 4.2Å
340	P	89.7	Confident	87.5	Confident	58 Å²	58	51.2 Å²	51.2	38%	0.377	24%	0.244	S	C	.	.			trans	-55.3	149.4	174.7	-27.1	35.4	0	0	0	113.2	T342 V354 Y355	P340-T342 PolarHBondContact O-N 3.18Å; P340-V354 HydrophobicContact CB-CG2 3.71Å; P340-V354 HydrophobicContact CG-CB 4.5Å; P340-V354 HydrophobicContact CG-CG2 3.83Å; P340-Y355 HydrophobicContact CB-CE1 4.43Å; P340-Y355 WeakPolarHBondContact O-CE1 3.4Å; P340-Y355 PolarHBondContact O-OH 3.07Å; P340-Y355 VanDerWaalsContact O-OH 3.11Å
341	E	87.7	Confident	87.3	Confident	46 Å²	46	55.1 Å²	55.1	22%	0.215	26%	0.261	C	S	.	.			trans	-65.7	115.3	177.9	176.2	60.4	-100.6	0	0	111.3	R343 R346 A349 S350	E341-R343 VanDerWaalsContact CD-NE 3.33Å; E341-R343 WeakPolarHBondContact OE1-CB 3.19Å; E341-R343 WeakPolarHBondContact OE1-CG 3.46Å; E341-R343 IonicContact OE1-CZ 3.76Å; E341-R343 PolarHBondContact OE1-N 3.38Å; E341-R343 IonicContact OE1-NE 3.94Å; E341-R343 PolarHBondContact OE1-NE 3.11Å; E341-R343 IonicContact OE1-NH2 3.51Å; E341-R343 IonicContact OE2-CZ 2.79Å; E341-R343 VanDerWaalsContact OE2-CZ 3.22Å; E341-R343 IonicContact OE2-NE 2.98Å; E341-R343 PolarHBondContact OE2-NE 3.1Å; E341-R343 IonicContact OE2-NH2 3.96Å; E341-R343 PolarHBondContact OE2-NH2 2.66Å; E341-R346 HydrophobicContact CG-CB 3.96Å; E341-R346 HydrophobicContact CG-CG 3.97Å; E341-R346 IonicContact OE2-NE 2.75Å; E341-A349 HydrophobicContact CG-CB 4.11Å; E341-A349 CarbonylContact O-C 3.48Å; E341-A349 VanDerWaalsContact O-CA 3.23Å; E341-A349 WeakPolarHBondContact O-CA 3.35Å; E341-A349 WeakPolarHBondContact O-CB 3.5Å; E341-S350 PolarHBondContact O-N 2.89Å
342	T	90.9	Very high	87.2	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.261	C	S	.	.			trans	-124.5	8.5	-178.5	62.1	0	0	0	0	113.6	P340 S350 V352 V354 Y355 L385 K386	P340-T342 PolarHBondContact O-N 3.18Å; T342-S350 VanDerWaalsContact CA-O 3.28Å; T342-S350 WeakPolarHBondContact CA-O 3.35Å; T342-S350 WeakPolarHBondContact CB-O 3.48Å; T342-S350 WeakPolarHBondContact CG2-O 3.35Å; T342-V352 HydrophobicContact CG2-CG1 4.14Å; T342-V354 HydrophobicContact CG2-CG2 4.25Å; T342-Y355 HydrophobicContact CG2-CD1 4.42Å; T342-Y355 HydrophobicContact CG2-CE1 3.5Å; T342-Y355 HydrophobicContact CG2-CE2 4.49Å; T342-Y355 WeakPolarHBondContact CG2-OH 3.34Å; T342-Y355 PolarHBondContact OG1-OH 2.93Å; T342-L385 CarbonylContact O-C 3.43Å; T342-L385 WeakPolarHBondContact O-CA 3.48Å; T342-K386 PolarHBondContact O-N 3.46Å
343	R	85.6	Confident	87.1	Confident	11 Å²	11	56.6 Å²	56.6	4%	0.042	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-71.1	139	-177.5	-62.7	174.6	-64.2	-178.8	-9.4	111.8	E341 S345 R346 A349 L385 Y725	E341-R343 VanDerWaalsContact CD-NE 3.33Å; E341-R343 WeakPolarHBondContact OE1-CB 3.19Å; E341-R343 WeakPolarHBondContact OE1-CG 3.46Å; E341-R343 IonicContact OE1-CZ 3.76Å; E341-R343 PolarHBondContact OE1-N 3.38Å; E341-R343 IonicContact OE1-NE 3.94Å; E341-R343 PolarHBondContact OE1-NE 3.11Å; E341-R343 IonicContact OE1-NH2 3.51Å; E341-R343 IonicContact OE2-CZ 2.79Å; E341-R343 VanDerWaalsContact OE2-CZ 3.22Å; E341-R343 IonicContact OE2-NE 2.98Å; E341-R343 PolarHBondContact OE2-NE 3.1Å; E341-R343 IonicContact OE2-NH2 3.96Å; E341-R343 PolarHBondContact OE2-NH2 2.66Å; R343-S345 PolarHBondContact O-N 2.83Å; R343-R346 HydrophobicContact CB-CG 4.25Å; R343-R346 PolarHBondContact O-N 3.23Å; R343-R346 VanDerWaalsContact O-N 3.14Å; R343-A349 WeakPolarHBondContact O-CB 3.22Å; R343-L385 HydrophobicContact CG-CD2 3.77Å; R343-Y725 VanDerWaalsContact NH1-CE2 3.3Å
344	R	81.7	Confident	87	Confident	142 Å²	142	59.2 Å²	59.2	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-30.4	179.5	-64.4	175.3	67.5	178.6	3	113.4	R346 R384 L385 K386	R344-R346 PolarHBondContact O-N 3.19Å; R344-R384 PolarHBondContact N-O 2.86Å; R344-L385 VanDerWaalsContact CD-O 3.26Å; R344-L385 WeakPolarHBondContact CD-O 3.5Å; R344-L385 VanDerWaalsContact CG-O 3.28Å; R344-L385 WeakPolarHBondContact CG-O 3.33Å; R344-K386 HydrophobicContact CG-CG 4.2Å
345	S	73.6	Confident	87.1	Confident	18 Å²	18	55.5 Å²	55.5	13%	0.126	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.8	-179.2	65.2	0	0	0	0	113.8	R343 S721	R343-S345 PolarHBondContact O-N 2.83Å; S345-S721 WeakPolarHBondContact CA-O 3.3Å; S345-S721 WeakPolarHBondContact CB-O 3.32Å
346	R	76.2	Confident	87.4	Confident	93 Å²	93	57.3 Å²	57.3	35%	0.351	28%	0.277	S	S	.	.	S	Bend	trans	-103.6	119.9	-179	-62	-68.4	-173.4	-157.7	-9.4	109.8	E341 R343 R344 N348 A349 D723	E341-R346 HydrophobicContact CG-CB 3.96Å; E341-R346 HydrophobicContact CG-CG 3.97Å; E341-R346 IonicContact OE2-NE 2.75Å; R343-R346 HydrophobicContact CB-CG 4.25Å; R343-R346 PolarHBondContact O-N 3.23Å; R343-R346 VanDerWaalsContact O-N 3.14Å; R344-R346 PolarHBondContact O-N 3.19Å; R346-N348 VanDerWaalsContact C-N 3.27Å; R346-N348 PolarHBondContact O-N 2.71Å; R346-A349 HydrophobicContact CB-CB 4.02Å; R346-A349 WeakPolarHBondContact O-CB 3.5Å; R346-A349 PolarHBondContact O-N 3.13Å; R346-A349 VanDerWaalsContact O-N 3.17Å; R346-D723 IonicContact NH2-OD1 3.02Å
347	R	74.9	Confident	88.1	Confident	244 Å²	244	56.9 Å²	56.9	92%	0.921	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-41.3	-175.4	-72.5	-174.9	178.1	178.4	-1.6	113.1
348	N	81.8	Confident	88.8	Confident	160 Å²	160	54.9 Å²	54.9	86%	0.856	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	19.1	-175.7	-61.8	-3.9	0	0	0	113.9	R346	R346-N348 VanDerWaalsContact C-N 3.27Å; R346-N348 PolarHBondContact O-N 2.71Å
349	A	86.7	Confident	89.3	Confident	8 Å²	8	53.1 Å²	53.1	7%	0.066	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-67.1	147.7	177.4	0	0	0	0	0	112.6	E341 R343 R346 K386	E341-A349 HydrophobicContact CG-CB 4.11Å; E341-A349 CarbonylContact O-C 3.48Å; E341-A349 VanDerWaalsContact O-CA 3.23Å; E341-A349 WeakPolarHBondContact O-CA 3.35Å; E341-A349 WeakPolarHBondContact O-CB 3.5Å; R343-A349 WeakPolarHBondContact O-CB 3.22Å; R346-A349 HydrophobicContact CB-CB 4.02Å; R346-A349 WeakPolarHBondContact O-CB 3.5Å; R346-A349 PolarHBondContact O-N 3.13Å; R346-A349 VanDerWaalsContact O-N 3.17Å; A349-K386 HydrophobicContact CB-CD 4.17Å; A349-K386 WeakPolarHBondContact O-CE 3.42Å; A349-K386 PolarHBondContact O-NZ 2.85Å
350	S	92.6	Very high	89.5	Confident	54 Å²	54	57.5 Å²	57.5	38%	0.378	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-86.2	166.9	171.9	-62.1	0	0	0	0	111.7	E341 T342	E341-S350 PolarHBondContact O-N 2.89Å; T342-S350 VanDerWaalsContact CA-O 3.28Å; T342-S350 WeakPolarHBondContact CA-O 3.35Å; T342-S350 WeakPolarHBondContact CB-O 3.48Å; T342-S350 WeakPolarHBondContact CG2-O 3.35Å
351	F	94.3	Very high	89.7	Confident	85 Å²	85	57.3 Å²	57.3	37%	0.373	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-72.9	159.6	163.6	-69.9	-96.7	0	0	0	110.1	D353 V354 K386 G387 K389	F351-D353 WeakPolarHBondContact CB-OD2 3.42Å; F351-D353 PolarHBondContact O-N 3.24Å; F351-D353 VanDerWaalsContact O-N 3.09Å; F351-V354 WeakPolarHBondContact O-CG2 3.44Å; F351-V354 PolarHBondContact O-N 2.92Å; F351-K386 HydrophobicContact CD1-CB 4Å; F351-K386 WeakPolarHBondContact CD1-O 3.49Å; F351-K386 HydrophobicContact CE1-CB 4.41Å; F351-K386 HydrophobicContact CG-CB 4.35Å; F351-G387 WeakPolarHBondContact CB-O 3.28Å; F351-G387 WeakPolarHBondContact CD1-O 3.37Å; F351-K389 HydrophobicContact CB-CB 4.11Å; F351-K389 HydrophobicContact CD1-CB 3.9Å; F351-K389 HydrophobicContact CD2-CB 4.11Å; F351-K389 HydrophobicContact CD2-CD 4.32Å; F351-K389 HydrophobicContact CE1-CB 4.32Å; F351-K389 HydrophobicContact CE2-CD 4.4Å; F351-K389 HydrophobicContact CG-CB 3.79Å
352	V	94.5	Very high	90	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-68	-8.6	-176.3	-62.3	0	0	0	0	113.6	T342 V354 Y355 L385 G387 F388	T342-V352 HydrophobicContact CG2-CG1 4.14Å; V352-V354 PolarHBondContact O-N 3.11Å; V352-Y355 HydrophobicContact CB-CD2 4.14Å; V352-Y355 HydrophobicContact CB-CE2 4.23Å; V352-Y355 HydrophobicContact CG1-CD2 4.45Å; V352-Y355 HydrophobicContact CG1-CE2 4.04Å; V352-Y355 WeakPolarHBondContact O-CB 3.17Å; V352-Y355 PolarHBondContact O-N 3Å; V352-L385 HydrophobicContact CG1-CB 4.02Å; V352-L385 HydrophobicContact CG1-CD1 4.02Å; V352-G387 VanDerWaalsContact CG2-C 3.41Å; V352-G387 VanDerWaalsContact CG2-O 3.25Å; V352-G387 WeakPolarHBondContact CG2-O 3.19Å; V352-G387 PolarHBondContact N-O 2.99Å; V352-F388 HydrophobicContact CG2-CB 4.43Å; V352-F388 HydrophobicContact CG2-CD1 3.46Å; V352-F388 VanDerWaalsContact CG2-CD1 3.46Å; V352-F388 HydrophobicContact CG2-CD2 3.82Å; V352-F388 HydrophobicContact CG2-CE1 3.49Å; V352-F388 VanDerWaalsContact CG2-CE1 3.49Å; V352-F388 HydrophobicContact CG2-CE2 3.85Å; V352-F388 HydrophobicContact CG2-CG 3.63Å; V352-F388 HydrophobicContact CG2-CZ 3.69Å
353	D	95.3	Very high	90.1	Very high	39 Å²	39	57.6 Å²	57.6	21%	0.209	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-51.2	-25.6	172.8	-52.3	-120.2	0	0	0	113	F351 Y355 K360 F388 K389 E390	F351-D353 WeakPolarHBondContact CB-OD2 3.42Å; F351-D353 PolarHBondContact O-N 3.24Å; F351-D353 VanDerWaalsContact O-N 3.09Å; D353-Y355 PolarHBondContact O-N 3.37Å; D353-K360 PolarHBondContact O-NZ 3.35Å; D353-F388 WeakPolarHBondContact OD2-CA 3.25Å; D353-K389 PolarHBondContact OD1-N 2.79Å; D353-K389 PolarHBondContact OD2-N 3.04Å; D353-E390 PolarHBondContact OD1-N 3.39Å
354	V	95.2	Very high	90.4	Very high	73 Å²	73	64.3 Å²	64.3	44%	0.442	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-73.8	-9.7	177.6	-58.2	0	0	0	0	113.9	P340 T342 F351 V352	P340-V354 HydrophobicContact CB-CG2 3.71Å; P340-V354 HydrophobicContact CG-CB 4.5Å; P340-V354 HydrophobicContact CG-CG2 3.83Å; T342-V354 HydrophobicContact CG2-CG2 4.25Å; F351-V354 WeakPolarHBondContact O-CG2 3.44Å; F351-V354 PolarHBondContact O-N 2.92Å; V352-V354 PolarHBondContact O-N 3.11Å
355	Y	96.4	Very high	90.9	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	28%	0.275	C	S	.	.	S	Bend	trans	-75.2	144.3	-179.2	-66.5	-6.1	0	0	0	112	L328 L339 P340 T342 V352 D353 F357 K360	L328-Y355 HydrophobicContact CD1-CE2 4.42Å; L328-Y355 HydrophobicContact CD2-CD2 3.72Å; L328-Y355 HydrophobicContact CD2-CE2 3.81Å; L339-Y355 HydrophobicContact CB-CD1 4.02Å; L339-Y355 HydrophobicContact CB-CE1 3.58Å; L339-Y355 HydrophobicContact CD1-CD1 4.26Å; L339-Y355 HydrophobicContact CD1-CD2 4.01Å; L339-Y355 HydrophobicContact CD1-CE1 4.26Å; L339-Y355 HydrophobicContact CD1-CE2 4Å; L339-Y355 HydrophobicContact CD1-CG 4.13Å; L339-Y355 HydrophobicContact CD2-CD1 4.11Å; L339-Y355 HydrophobicContact CD2-CG 4.37Å; L339-Y355 HydrophobicContact CG-CD1 4.37Å; L339-Y355 HydrophobicContact CG-CE1 4.34Å; P340-Y355 HydrophobicContact CB-CE1 4.43Å; P340-Y355 WeakPolarHBondContact O-CE1 3.4Å; P340-Y355 PolarHBondContact O-OH 3.07Å; P340-Y355 VanDerWaalsContact O-OH 3.11Å; T342-Y355 HydrophobicContact CG2-CD1 4.42Å; T342-Y355 HydrophobicContact CG2-CE1 3.5Å; T342-Y355 HydrophobicContact CG2-CE2 4.49Å; T342-Y355 WeakPolarHBondContact CG2-OH 3.34Å; T342-Y355 PolarHBondContact OG1-OH 2.93Å; V352-Y355 HydrophobicContact CB-CD2 4.14Å; V352-Y355 HydrophobicContact CB-CE2 4.23Å; V352-Y355 HydrophobicContact CG1-CD2 4.45Å; V352-Y355 HydrophobicContact CG1-CE2 4.04Å; V352-Y355 WeakPolarHBondContact O-CB 3.17Å; V352-Y355 PolarHBondContact O-N 3Å; D353-Y355 PolarHBondContact O-N 3.37Å; Y355-F357 HydrophobicContact CD2-CE2 4.2Å; Y355-F357 AromaticContact CD2-CZ 3.84Å; Y355-F357 HydrophobicContact CD2-CZ 3.84Å; Y355-F357 HydrophobicContact CG-CE2 4.31Å; Y355-F357 HydrophobicContact CG-CZ 4.37Å; Y355-F357 PolarHBondContact O-N 3.07Å; Y355-K360 PolarHBondContact O-NZ 3.01Å
356	P	95.9	Very high	91.8	Very high	68 Å²	68	58.1 Å²	58.1	44%	0.442	27%	0.274	S	S	.	.			trans	-84	62.2	-178.9	36.1	-35.5	0	0	0	110.7	L339	L339-P356 HydrophobicContact CD2-CG 4.2Å
357	F	97.7	Very high	92.7	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	26%	0.257	C	S	.	.			trans	-64.2	137.5	179.9	-67.4	-73.6	0	0	0	112.4	L328 L331 T332 Y355 W359 K360 Y381 F388	L328-F357 HydrophobicContact CD2-CE1 4.21Å; L331-F357 HydrophobicContact CB-CD1 3.91Å; L331-F357 HydrophobicContact CB-CE1 4.44Å; L331-F357 CarbonylContact O-C 3.5Å; L331-F357 WeakPolarHBondContact O-CA 3.37Å; T332-F357 HydrophobicContact CG2-CD1 3.81Å; T332-F357 HydrophobicContact CG2-CE1 4.15Å; T332-F357 HydrophobicContact CG2-CG 4.41Å; Y355-F357 HydrophobicContact CD2-CE2 4.2Å; Y355-F357 AromaticContact CD2-CZ 3.84Å; Y355-F357 HydrophobicContact CD2-CZ 3.84Å; Y355-F357 HydrophobicContact CG-CE2 4.31Å; Y355-F357 HydrophobicContact CG-CZ 4.37Å; Y355-F357 PolarHBondContact O-N 3.07Å; F357-W359 HydrophobicContact CB-CD2 3.59Å; F357-W359 HydrophobicContact CB-CE3 4.13Å; F357-W359 HydrophobicContact CB-CG 4.11Å; F357-W359 HydrophobicContact CB-CH2 4.01Å; F357-W359 HydrophobicContact CB-CZ2 3.44Å; F357-W359 VanDerWaalsContact CB-CZ2 3.44Å; F357-W359 HydrophobicContact CB-CZ3 4.34Å; F357-W359 HydrophobicContact CD1-CE3 4.49Å; F357-W359 AromaticContact CD1-CH2 3.23Å; F357-W359 HydrophobicContact CD1-CH2 3.23Å; F357-W359 AromaticContact CD1-CZ2 3.32Å; F357-W359 HydrophobicContact CD1-CZ2 3.32Å; F357-W359 AromaticContact CD1-CZ3 3.88Å; F357-W359 HydrophobicContact CD1-CZ3 3.88Å; F357-W359 AromaticContact CD2-CE2 3.9Å; F357-W359 HydrophobicContact CD2-CH2 4.18Å; F357-W359 AromaticContact CD2-CZ2 3.41Å; F357-W359 HydrophobicContact CD2-CZ2 3.41Å; F357-W359 VanDerWaalsContact CD2-CZ2 3.41Å; F357-W359 AromaticContact CE1-CH2 3.54Å; F357-W359 HydrophobicContact CE1-CH2 3.54Å; F357-W359 AromaticContact CE1-CZ2 3.79Å; F357-W359 HydrophobicContact CE1-CZ2 3.79Å; F357-W359 HydrophobicContact CE1-CZ3 4.45Å; F357-W359 HydrophobicContact CE2-CH2 4.43Å; F357-W359 AromaticContact CE2-CZ2 3.86Å; F357-W359 HydrophobicContact CE2-CZ2 3.86Å; F357-W359 HydrophobicContact CG-CD2 4.23Å; F357-W359 AromaticContact CG-CE2 3.48Å; F357-W359 VanDerWaalsContact CG-CE2 3.48Å; F357-W359 AromaticContact CG-CH2 3.58Å; F357-W359 HydrophobicContact CG-CH2 3.58Å; F357-W359 AromaticContact CG-CZ2 3.1Å; F357-W359 HydrophobicContact CG-CZ2 3.1Å; F357-W359 HydrophobicContact CG-CZ3 4.3Å; F357-W359 HydrophobicContact CZ-CH2 4.14Å; F357-W359 HydrophobicContact CZ-CZ2 4.03Å; F357-W359 PolarHBondContact O-N 2.99Å; F357-K360 WeakPolarHBondContact O-CB 3.35Å; F357-K360 PolarHBondContact O-N 3.3Å; F357-Y381 HydrophobicContact CE1-CE1 4.38Å; F357-Y381 HydrophobicContact CZ-CE1 4.35Å; F357-F388 HydrophobicContact CD2-CE1 4.18Å; F357-F388 AromaticContact CE2-CE1 3.46Å; F357-F388 HydrophobicContact CE2-CE1 3.46Å; F357-F388 VanDerWaalsContact CE2-CE1 3.46Å; F357-F388 AromaticContact CE2-CZ 3.68Å; F357-F388 HydrophobicContact CE2-CZ 3.68Å; F357-F388 HydrophobicContact CZ-CE1 4.03Å; F357-F388 AromaticContact CZ-CZ 3.76Å; F357-F388 HydrophobicContact CZ-CZ 3.76Å
358	I	97.4	Very high	93.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-29.3	-175.5	-165.7	162.4	0	0	0	113	L331 K360 E361 L362 F443 L548 K549	L331-I358 HydrophobicContact CD2-CG2 4.16Å; L331-I358 WeakPolarHBondContact O-CB 3.46Å; L331-I358 PolarHBondContact O-N 2.6Å; I358-K360 PolarHBondContact O-N 3.38Å; I358-E361 WeakPolarHBondContact O-CA 3.26Å; I358-E361 WeakPolarHBondContact O-CB 3.39Å; I358-E361 PolarHBondContact O-N 2.82Å; I358-L362 HydrophobicContact CG1-CG 4.37Å; I358-L362 WeakPolarHBondContact O-CG 3.05Å; I358-L362 PolarHBondContact O-N 3.41Å; I358-F443 HydrophobicContact CG2-CZ 4.46Å; I358-L548 HydrophobicContact CD1-CB 3.46Å; I358-L548 VanDerWaalsContact CD1-CB 3.46Å; I358-L548 HydrophobicContact CD1-CD1 4.01Å; I358-L548 HydrophobicContact CD1-CG 4.39Å; I358-K549 HydrophobicContact CD1-CD 4.35Å; I358-K549 HydrophobicContact CD1-CG 4.41Å
359	W	96	Very high	94.5	Very high	5 Å²	5	34.7 Å²	34.7	2%	0.019	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-27.2	175.7	54	75.9	0	0	0	113.3	L331 F357 E361 L362 K363 T369 Y371 F388 P392 T393 F443	L331-W359 HydrophobicContact CB-CZ3 4.32Å; L331-W359 HydrophobicContact CD1-CH2 4.02Å; L331-W359 HydrophobicContact CD1-CZ3 3.58Å; L331-W359 HydrophobicContact CD2-CE3 4Å; L331-W359 HydrophobicContact CD2-CZ3 3.68Å; L331-W359 HydrophobicContact CG-CZ3 4.05Å; F357-W359 HydrophobicContact CB-CD2 3.59Å; F357-W359 HydrophobicContact CB-CE3 4.13Å; F357-W359 HydrophobicContact CB-CG 4.11Å; F357-W359 HydrophobicContact CB-CH2 4.01Å; F357-W359 HydrophobicContact CB-CZ2 3.44Å; F357-W359 VanDerWaalsContact CB-CZ2 3.44Å; F357-W359 HydrophobicContact CB-CZ3 4.34Å; F357-W359 HydrophobicContact CD1-CE3 4.49Å; F357-W359 AromaticContact CD1-CH2 3.23Å; F357-W359 HydrophobicContact CD1-CH2 3.23Å; F357-W359 AromaticContact CD1-CZ2 3.32Å; F357-W359 HydrophobicContact CD1-CZ2 3.32Å; F357-W359 AromaticContact CD1-CZ3 3.88Å; F357-W359 HydrophobicContact CD1-CZ3 3.88Å; F357-W359 AromaticContact CD2-CE2 3.9Å; F357-W359 HydrophobicContact CD2-CH2 4.18Å; F357-W359 AromaticContact CD2-CZ2 3.41Å; F357-W359 HydrophobicContact CD2-CZ2 3.41Å; F357-W359 VanDerWaalsContact CD2-CZ2 3.41Å; F357-W359 AromaticContact CE1-CH2 3.54Å; F357-W359 HydrophobicContact CE1-CH2 3.54Å; F357-W359 AromaticContact CE1-CZ2 3.79Å; F357-W359 HydrophobicContact CE1-CZ2 3.79Å; F357-W359 HydrophobicContact CE1-CZ3 4.45Å; F357-W359 HydrophobicContact CE2-CH2 4.43Å; F357-W359 AromaticContact CE2-CZ2 3.86Å; F357-W359 HydrophobicContact CE2-CZ2 3.86Å; F357-W359 HydrophobicContact CG-CD2 4.23Å; F357-W359 AromaticContact CG-CE2 3.48Å; F357-W359 VanDerWaalsContact CG-CE2 3.48Å; F357-W359 AromaticContact CG-CH2 3.58Å; F357-W359 HydrophobicContact CG-CH2 3.58Å; F357-W359 AromaticContact CG-CZ2 3.1Å; F357-W359 HydrophobicContact CG-CZ2 3.1Å; F357-W359 HydrophobicContact CG-CZ3 4.3Å; F357-W359 HydrophobicContact CZ-CH2 4.14Å; F357-W359 HydrophobicContact CZ-CZ2 4.03Å; F357-W359 PolarHBondContact O-N 2.99Å; W359-E361 VanDerWaalsContact C-N 3.31Å; W359-L362 PolarHBondContact O-N 2.94Å; W359-K363 WeakPolarHBondContact O-CB 3.29Å; W359-K363 PolarHBondContact O-N 2.81Å; W359-T369 HydrophobicContact CB-CG2 4.23Å; W359-Y371 HydrophobicContact CH2-CD2 4.44Å; W359-Y371 HydrophobicContact CZ3-CD2 4.19Å; W359-F388 HydrophobicContact CZ2-CE1 4.39Å; W359-F388 HydrophobicContact CZ2-CZ 4.08Å; W359-P392 HydrophobicContact CZ2-CB 4.3Å; W359-P392 PolarHBondContact NE1-O 3.35Å; W359-T393 HydrophobicContact CB-CG2 4.44Å; W359-T393 HydrophobicContact CD2-CG2 4.23Å; W359-T393 HydrophobicContact CG-CG2 4.08Å; W359-F443 HydrophobicContact CB-CD1 4.02Å; W359-F443 HydrophobicContact CB-CE1 3.91Å; W359-F443 HydrophobicContact CE3-CE1 4.03Å; W359-F443 HydrophobicContact CE3-CZ 4.44Å
360	K	94.6	Very high	95	Very high	97 Å²	97	34.3 Å²	34.3	42%	0.422	17%	0.171	S	C	.	.	H	α-helix	trans	-66.6	-37.2	172.7	-64.1	178.6	174.8	174.8	0	111.3	D353 Y355 F357 I358	D353-K360 PolarHBondContact O-NZ 3.35Å; Y355-K360 PolarHBondContact O-NZ 3.01Å; F357-K360 WeakPolarHBondContact O-CB 3.35Å; F357-K360 PolarHBondContact O-N 3.3Å; I358-K360 PolarHBondContact O-N 3.38Å
361	E	94.3	Very high	95.3	Very high	54 Å²	54	31.8 Å²	31.8	25%	0.252	15%	0.153	S	C	.	.	H	α-helix	trans	-70.9	-48.2	174.5	-173	174.8	-174	0	0	110.7	I358 W359 K363 R364 F365 K549 L552	I358-E361 WeakPolarHBondContact O-CA 3.26Å; I358-E361 WeakPolarHBondContact O-CB 3.39Å; I358-E361 PolarHBondContact O-N 2.82Å; W359-E361 VanDerWaalsContact C-N 3.31Å; E361-K363 PolarHBondContact O-N 2.87Å; E361-R364 VanDerWaalsContact O-CB 3.28Å; E361-R364 WeakPolarHBondContact O-CB 3.41Å; E361-R364 PolarHBondContact O-N 2.81Å; E361-F365 HydrophobicContact CG-CE2 4.21Å; E361-F365 WeakPolarHBondContact O-CD2 3.14Å; E361-K549 IonicContact OE1-NZ 3.1Å; E361-K549 PolarHBondContact OE1-NZ 3.33Å; E361-K549 WeakPolarHBondContact OE2-CD 3.4Å; E361-K549 IonicContact OE2-NZ 2.72Å; E361-K549 PolarHBondContact OE2-NZ 2.74Å; E361-L552 HydrophobicContact CG-CD1 4.16Å
362	L	95.2	Very high	95.3	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-56.1	-35.2	176.4	-65.3	174.4	0	0	0	112.4	I280 I358 W359 R364 F365 G366 Y367 F443 L552	I280-L362 HydrophobicContact CD1-CD1 4.26Å; I280-L362 HydrophobicContact CD1-CD2 4.13Å; I358-L362 HydrophobicContact CG1-CG 4.37Å; I358-L362 WeakPolarHBondContact O-CG 3.05Å; I358-L362 PolarHBondContact O-N 3.41Å; W359-L362 PolarHBondContact O-N 2.94Å; L362-R364 PolarHBondContact O-N 2.97Å; L362-F365 CarbonylContact O-C 3.6Å; L362-F365 WeakPolarHBondContact O-CA 3.36Å; L362-F365 PolarHBondContact O-N 2.85Å; L362-G366 PolarHBondContact O-N 2.72Å; L362-Y367 HydrophobicContact CB-CD2 4.11Å; L362-Y367 HydrophobicContact CB-CG 4.01Å; L362-Y367 HydrophobicContact CD2-CD2 4.35Å; L362-Y367 HydrophobicContact CD2-CE1 4.45Å; L362-Y367 HydrophobicContact CD2-CE2 4.11Å; L362-Y367 WeakPolarHBondContact O-CB 3.1Å; L362-Y367 WeakPolarHBondContact O-CD2 3.37Å; L362-Y367 PolarHBondContact O-N 3.16Å; L362-F443 HydrophobicContact CD1-CB 3.84Å; L362-F443 HydrophobicContact CD1-CD1 4.23Å; L362-F443 HydrophobicContact CD1-CD2 3.25Å; L362-F443 HydrophobicContact CD1-CE2 3.82Å; L362-F443 HydrophobicContact CD1-CG 3.49Å; L362-F443 VanDerWaalsContact CD1-CG 3.49Å; L362-L552 HydrophobicContact CD2-CD1 4.07Å; L362-L552 HydrophobicContact CD2-CD2 3.78Å; L362-L552 HydrophobicContact CD2-CG 4.22Å
363	K	92.5	Very high	95.3	Very high	52 Å²	52	27.9 Å²	27.9	23%	0.226	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-32.8	175.8	-166.4	61.5	164.3	-178.6	0	112.8	V264 W359 E361 F365 G366 Y367 D394	V264-K363 HydrophobicContact CG2-CD 4.12Å; V264-K363 HydrophobicContact CG2-CG 4.32Å; W359-K363 WeakPolarHBondContact O-CB 3.29Å; W359-K363 PolarHBondContact O-N 2.81Å; E361-K363 PolarHBondContact O-N 2.87Å; K363-F365 VanDerWaalsContact C-N 3.31Å; K363-G366 PolarHBondContact O-N 3.02Å; K363-G366 VanDerWaalsContact O-N 3.08Å; K363-Y367 VanDerWaalsContact CD-O 3.31Å; K363-Y367 WeakPolarHBondContact CD-O 3.38Å; K363-D394 IonicContact NZ-OD1 3.56Å; K363-D394 PolarHBondContact NZ-OD1 2.98Å; K363-D394 IonicContact NZ-OD2 3.33Å; K363-D394 PolarHBondContact NZ-OD2 2.61Å
364	R	91.6	Very high	95.1	Very high	151 Å²	151	26.2 Å²	26.2	57%	0.57	13%	0.127	S	C	*	.	H	α-helix	trans	-70.2	-26.7	175.7	-62	168.8	47.3	-175.4	-5.9	113.1	D269 E361 L362 G366	D269-R364 PolarHBondContact N-O 2.98Å; D269-R364 IonicContact OD2-CZ 2.66Å; D269-R364 IonicContact OD2-NE 2.82Å; D269-R364 PolarHBondContact OD2-NE 2.62Å; D269-R364 VanDerWaalsContact OD2-NE 3.16Å; D269-R364 IonicContact OD2-NH2 3.17Å; D269-R364 PolarHBondContact OD2-NH2 3.13Å; E361-R364 VanDerWaalsContact O-CB 3.28Å; E361-R364 WeakPolarHBondContact O-CB 3.41Å; E361-R364 PolarHBondContact O-N 2.81Å; L362-R364 PolarHBondContact O-N 2.97Å; R364-G366 PolarHBondContact O-N 3.06Å
365	F	92.9	Very high	94.5	Very high	22 Å²	22	23 Å²	23	10%	0.096	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	15.2	170.9	-67.3	-95.3	0	0	0	112.2	V268 D269 P270 V271 E361 L362 K363 Y367 L552	V268-F365 WeakPolarHBondContact CG1-O 3.43Å; D269-F365 HydrophobicContact CB-CD1 3.84Å; D269-F365 HydrophobicContact CB-CD2 4.37Å; D269-F365 HydrophobicContact CB-CE1 3.72Å; D269-F365 HydrophobicContact CB-CE2 4.25Å; D269-F365 HydrophobicContact CB-CG 4.18Å; D269-F365 HydrophobicContact CB-CZ 3.93Å; D269-F365 WeakPolarHBondContact O-CD1 3.4Å; P270-F365 WeakPolarHBondContact O-CE1 3.5Å; V271-F365 HydrophobicContact CG1-CD1 3.68Å; V271-F365 HydrophobicContact CG1-CE1 4.19Å; E361-F365 HydrophobicContact CG-CE2 4.21Å; E361-F365 WeakPolarHBondContact O-CD2 3.14Å; L362-F365 CarbonylContact O-C 3.6Å; L362-F365 WeakPolarHBondContact O-CA 3.36Å; L362-F365 PolarHBondContact O-N 2.85Å; K363-F365 VanDerWaalsContact C-N 3.31Å; F365-Y367 HydrophobicContact CB-CD2 3.89Å; F365-Y367 HydrophobicContact CB-CE2 3.85Å; F365-L552 HydrophobicContact CB-CD2 4.22Å; F365-L552 HydrophobicContact CD1-CD2 3.99Å; F365-L552 HydrophobicContact CD2-CD1 3.98Å; F365-L552 HydrophobicContact CD2-CD2 3.86Å; F365-L552 HydrophobicContact CD2-CG 4.44Å; F365-L552 HydrophobicContact CE1-CB 4.29Å; F365-L552 HydrophobicContact CE1-CD2 4.3Å; F365-L552 HydrophobicContact CE2-CB 4.43Å; F365-L552 HydrophobicContact CE2-CD1 3.74Å; F365-L552 HydrophobicContact CE2-CD2 4.21Å; F365-L552 HydrophobicContact CE2-CG 4.35Å; F365-L552 HydrophobicContact CG-CD2 3.75Å; F365-L552 HydrophobicContact CZ-CB 4.11Å; F365-L552 HydrophobicContact CZ-CD1 4.25Å; F365-L552 HydrophobicContact CZ-CD2 4.41Å; F365-L552 HydrophobicContact CZ-CG 4.5Å
366	G	92.5	Very high	93.7	Very high	9 Å²	9	23.7 Å²	23.7	9%	0.093	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	15.3	172.8	0	0	0	0	0	114.7	L362 K363 R364 Q440	L362-G366 PolarHBondContact O-N 2.72Å; K363-G366 PolarHBondContact O-N 3.02Å; K363-G366 VanDerWaalsContact O-N 3.08Å; R364-G366 PolarHBondContact O-N 3.06Å; G366-Q440 PolarHBondContact O-NE2 2.8Å
367	Y	95.2	Very high	92.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.			trans	-70.2	140.6	-179.4	-75.8	-115.2	0	0	0	112.9	P277 L278 I280 L362 K363 F365 P441 F443 L552	P277-Y367 HydrophobicContact CB-CE2 3.61Å; P277-Y367 WeakPolarHBondContact CB-OH 3.44Å; P277-Y367 HydrophobicContact CG-CE2 4.36Å; L278-Y367 WeakPolarHBondContact O-CE1 3.45Å; L278-Y367 PolarHBondContact O-OH 3.03Å; I280-Y367 HydrophobicContact CD1-CE1 4.16Å; I280-Y367 HydrophobicContact CG1-CE1 4.4Å; L362-Y367 HydrophobicContact CB-CD2 4.11Å; L362-Y367 HydrophobicContact CB-CG 4.01Å; L362-Y367 HydrophobicContact CD2-CD2 4.35Å; L362-Y367 HydrophobicContact CD2-CE1 4.45Å; L362-Y367 HydrophobicContact CD2-CE2 4.11Å; L362-Y367 WeakPolarHBondContact O-CB 3.1Å; L362-Y367 WeakPolarHBondContact O-CD2 3.37Å; L362-Y367 PolarHBondContact O-N 3.16Å; K363-Y367 VanDerWaalsContact CD-O 3.31Å; K363-Y367 WeakPolarHBondContact CD-O 3.38Å; F365-Y367 HydrophobicContact CB-CD2 3.89Å; F365-Y367 HydrophobicContact CB-CE2 3.85Å; Y367-P441 WeakPolarHBondContact CA-O 3.38Å; Y367-P441 HydrophobicContact CD1-CB 3.92Å; Y367-P441 HydrophobicContact CD2-CB 4.11Å; Y367-P441 HydrophobicContact CD2-CG 4.14Å; Y367-P441 HydrophobicContact CE1-CB 3.95Å; Y367-P441 HydrophobicContact CE2-CB 4.15Å; Y367-P441 HydrophobicContact CE2-CG 4.45Å; Y367-P441 HydrophobicContact CG-CB 4.01Å; Y367-P441 HydrophobicContact CG-CG 4.27Å; Y367-F443 HydrophobicContact CD1-CB 3.97Å; Y367-L552 HydrophobicContact CE2-CD2 4.31Å
368	A	96.2	Very high	91.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.2	157.3	0	0	0	0	0	108.6	T263 F432 Y436 Q440 P441 K442 F443	T263-A368 HydrophobicContact CG2-CB 4.13Å; A368-F432 HydrophobicContact CB-CE2 3.99Å; A368-F432 HydrophobicContact CB-CZ 3.84Å; A368-Y436 HydrophobicContact CB-CD1 4.33Å; A368-Y436 HydrophobicContact CB-CD2 4.49Å; A368-Y436 HydrophobicContact CB-CE1 4.04Å; A368-Y436 HydrophobicContact CB-CE2 4.23Å; A368-Q440 HydrophobicContact CB-CG 4.39Å; A368-P441 PolarHBondContact N-O 3.02Å; A368-K442 WeakPolarHBondContact O-CA 3.4Å; A368-F443 PolarHBondContact O-N 3.45Å
369	T	97.2	Very high	91.1	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.8	-168.3	58.7	0	0	0	0	112.8	W359 T393 D394 H395 F443	W359-T369 HydrophobicContact CB-CG2 4.23Å; T369-T393 WeakPolarHBondContact OG1-CA 3.3Å; T369-D394 PolarHBondContact N-OD2 2.83Å; T369-D394 WeakPolarHBondContact O-CA 3.48Å; T369-D394 WeakPolarHBondContact O-CB 3.36Å; T369-D394 PolarHBondContact O-N 3.31Å; T369-D394 PolarHBondContact OG1-N 2.83Å; T369-D394 PolarHBondContact OG1-OD2 2.04Å; T369-H395 PolarHBondContact O-N 2.89Å; T369-F443 CarbonylContact C-O 3.58Å; T369-F443 WeakPolarHBondContact CA-O 3.4Å; T369-F443 HydrophobicContact CG2-CB 4.46Å
370	L	98.1	Very high	90.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.8	178.8	-177.6	155	0	0	0	110.6	I258 A372 H395 Y428 V429 F432 F443 A444 F445	I258-L370 HydrophobicContact CD1-CD1 4.07Å; L370-A372 HydrophobicContact CD2-CB 3.97Å; L370-H395 WeakPolarHBondContact CA-O 3.31Å; L370-H395 HydrophobicContact CB-CB 3.97Å; L370-H395 HydrophobicContact CD1-CB 3.88Å; L370-H395 HydrophobicContact CG-CB 3.8Å; L370-Y428 HydrophobicContact CD1-CD1 3.91Å; L370-Y428 HydrophobicContact CD1-CE1 3.63Å; L370-Y428 HydrophobicContact CD2-CE1 4.44Å; L370-Y428 HydrophobicContact CG-CE1 4.06Å; L370-V429 HydrophobicContact CD2-CG2 4.18Å; L370-F432 HydrophobicContact CB-CD1 4.25Å; L370-F432 HydrophobicContact CB-CE1 4.02Å; L370-F432 HydrophobicContact CB-CE2 4.44Å; L370-F432 HydrophobicContact CB-CZ 4.14Å; L370-F432 HydrophobicContact CD1-CB 3.77Å; L370-F432 HydrophobicContact CD1-CD1 3.95Å; L370-F432 HydrophobicContact CD1-CD2 4.06Å; L370-F432 HydrophobicContact CD1-CG 3.67Å; L370-F443 PolarHBondContact N-O 3.45Å; L370-A444 HydrophobicContact CB-CB 4.3Å; L370-A444 HydrophobicContact CD2-CB 4.29Å; L370-F445 PolarHBondContact O-N 2.85Å
371	Y	97.4	Very high	90.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.3	168.9	-178	-90.3	0	0	0	110	W359 E373 Y381 T393 H395 Y396 L397 F445	W359-Y371 HydrophobicContact CH2-CD2 4.44Å; W359-Y371 HydrophobicContact CZ3-CD2 4.19Å; Y371-E373 HydrophobicContact CE1-CB 4.28Å; Y371-E373 HydrophobicContact CE1-CG 4.17Å; Y371-Y381 HydrophobicContact CE1-CE2 4.5Å; Y371-Y381 HydrophobicContact CE2-CE2 4.37Å; Y371-Y381 AromaticContact CZ-CE2 3.85Å; Y371-Y381 WeakPolarHBondContact OH-CE2 3.45Å; Y371-T393 PolarHBondContact N-OG1 3.05Å; Y371-H395 PolarHBondContact N-O 3.15Å; Y371-Y396 AromaticContact CD1-CD2 3.82Å; Y371-Y396 HydrophobicContact CD1-CD2 3.82Å; Y371-Y396 AromaticContact CD1-CE2 3.55Å; Y371-Y396 HydrophobicContact CD1-CE2 3.55Å; Y371-Y396 HydrophobicContact CE1-CE2 4.03Å; Y371-Y396 WeakPolarHBondContact O-CA 3.49Å; Y371-Y396 WeakPolarHBondContact O-CD2 3.19Å; Y371-L397 PolarHBondContact O-N 3.3Å; Y371-F445 CarbonylContact C-O 3.46Å; Y371-F445 VanDerWaalsContact CA-O 3.29Å; Y371-F445 WeakPolarHBondContact CA-O 3.25Å; Y371-F445 HydrophobicContact CD2-CB 3.97Å; Y371-F445 AromaticContact CD2-CD1 3.68Å; Y371-F445 HydrophobicContact CD2-CD1 3.68Å; Y371-F445 HydrophobicContact CD2-CG 4.04Å; Y371-F445 AromaticContact CE2-CD1 3.5Å; Y371-F445 HydrophobicContact CE2-CD1 3.5Å; Y371-F445 VanDerWaalsContact CE2-CD1 3.5Å; Y371-F445 AromaticContact CE2-CE1 3.9Å; Y371-F445 HydrophobicContact CE2-CE1 3.9Å; Y371-F445 HydrophobicContact CE2-CG 4.23Å
372	A	96.3	Very high	90.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	123.8	-175.4	0	0	0	0	0	111.6	L370 L397 F445 Q446 F447	L370-A372 HydrophobicContact CD2-CB 3.97Å; A372-L397 HydrophobicContact CB-CB 3.56Å; A372-L397 HydrophobicContact CB-CD2 3.81Å; A372-L397 HydrophobicContact CB-CG 4.34Å; A372-F445 PolarHBondContact N-O 3.18Å; A372-Q446 HydrophobicContact CB-CB 4.43Å; A372-Q446 HydrophobicContact CB-CG 4.26Å; A372-Q446 CarbonylContact O-C 3.55Å; A372-Q446 WeakPolarHBondContact O-CA 3.47Å; A372-F447 PolarHBondContact O-N 3.17Å
373	E	93.4	Very high	89.8	Confident	3 Å²	3	24.2 Å²	24.2	1%	0.014	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	151	170.2	72.8	-174.9	133.6	0	0	109.7	Y371 T380 R398 Y401 F447	Y371-E373 HydrophobicContact CE1-CB 4.28Å; Y371-E373 HydrophobicContact CE1-CG 4.17Å; E373-T380 PolarHBondContact OE2-N 3.03Å; E373-T380 PolarHBondContact OE2-OG1 2.83Å; E373-R398 HydrophobicContact CG-CB 4.17Å; E373-R398 HydrophobicContact CG-CG 4.05Å; E373-R398 WeakPolarHBondContact OE1-CD 3.29Å; E373-Y401 WeakPolarHBondContact O-CD2 3.37Å; E373-F447 WeakPolarHBondContact CA-O 3.4Å; E373-F447 HydrophobicContact CB-CB 4.44Å
374	D	90.3	Very high	89.3	Confident	5 Å²	5	24.3 Å²	24.3	3%	0.027	12%	0.115	C	C	.	.	S	Bend	trans	-108.5	-26.4	-170.6	61.2	3.8	0	0	0	116	Q376 Y401 Q421 Q425 S449 I450	D374-Q376 PolarHBondContact O-N 3.34Å; D374-Y401 HydrophobicContact CB-CD2 4.05Å; D374-Y401 HydrophobicContact CB-CE1 4.48Å; D374-Y401 HydrophobicContact CB-CE2 3.64Å; D374-Q421 PolarHBondContact OD2-NE2 3.13Å; D374-Q425 PolarHBondContact OD2-OE1 3.26Å; D374-S449 WeakPolarHBondContact OD1-CB 3.34Å; D374-S449 PolarHBondContact OD1-N 3.08Å; D374-S449 PolarHBondContact OD2-N 2.89Å; D374-I450 HydrophobicContact CB-CD1 3.82Å; D374-I450 HydrophobicContact CB-CG1 4.18Å; D374-I450 PolarHBondContact OD1-N 3.1Å; D374-I450 PolarHBondContact OD2-N 3.37Å
375	S	84.2	Confident	89.1	Confident	5 Å²	5	17.1 Å²	17.1	4%	0.035	9%	0.088	C	C	.	.			trans	-95.7	88.3	-178.7	-162.5	0	0	0	0	112.5	S377 I378 G379	S375-S377 VanDerWaalsContact C-N 3.33Å; S375-S377 PolarHBondContact O-N 2.9Å; S375-I378 WeakPolarHBondContact OG-CG1 3.29Å; S375-G379 WeakPolarHBondContact O-CA 3.35Å; S375-G379 PolarHBondContact O-N 2.88Å
376	Q	78.9	Confident	89	Confident	15 Å²	15	18.6 Å²	18.6	7%	0.07	9%	0.094	C	C	.	.	S	Bend	trans	-66.3	-32.5	-174.7	81.6	78.2	30.4	0	0	113.5	D374 I378 G379 E405	D374-Q376 PolarHBondContact O-N 3.34Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 2.86Å; Q376-G379 PolarHBondContact O-N 2.86Å; Q376-E405 WeakPolarHBondContact CG-OE2 3.32Å; Q376-E405 PolarHBondContact NE2-OE1 2.64Å; Q376-E405 PolarHBondContact NE2-OE2 2.83Å
377	S	73.8	Confident	89	Confident	47 Å²	47	18.2 Å²	18.2	33%	0.329	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-29.2	-172.2	65.1	0	0	0	0	112.6	S375	S375-S377 VanDerWaalsContact C-N 3.33Å; S375-S377 PolarHBondContact O-N 2.9Å
378	I	78.5	Confident	89	Confident	63 Å²	63	18.5 Å²	18.5	32%	0.323	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	24.8	175.6	55.3	167.8	0	0	0	111.9	S375 Q376 F383	S375-I378 WeakPolarHBondContact OG-CG1 3.29Å; Q376-I378 VanDerWaalsContact C-N 3.34Å; Q376-I378 PolarHBondContact O-N 2.86Å; I378-F383 HydrophobicContact CG2-CD2 4.25Å; I378-F383 HydrophobicContact CG2-CE2 4.32Å
379	G	85	Confident	88.9	Confident	2 Å²	2	24.9 Å²	24.9	2%	0.021	12%	0.119	C	C	.	.			trans	-55.3	146.4	-173.7	0	0	0	0	0	113.9	S375 Q376 Y381 T382 F383	S375-G379 WeakPolarHBondContact O-CA 3.35Å; S375-G379 PolarHBondContact O-N 2.88Å; Q376-G379 PolarHBondContact O-N 2.86Å; G379-Y381 VanDerWaalsContact C-N 3.28Å; G379-Y381 PolarHBondContact O-N 2.88Å; G379-Y381 VanDerWaalsContact O-N 3.15Å; G379-T382 WeakPolarHBondContact CA-OG1 3.47Å; G379-T382 PolarHBondContact O-N 3.38Å; G379-T382 VanDerWaalsContact O-N 3.08Å; G379-F383 WeakPolarHBondContact O-CB 3.23Å; G379-F383 PolarHBondContact O-N 2.61Å
380	T	87.7	Confident	88.8	Confident	11 Å²	11	31 Å²	31	7%	0.067	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-45	-166.5	-58.7	0	0	0	0	112.3	T323 P324 L327 E373	T323-T380 HydrophobicContact CG2-CG2 3.87Å; P324-T380 HydrophobicContact CG-CG2 4.31Å; L327-T380 HydrophobicContact CD2-CG2 4.01Å; E373-T380 PolarHBondContact OE2-N 3.03Å; E373-T380 PolarHBondContact OE2-OG1 2.83Å
381	Y	91.3	Very high	88.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	0.4	-176.6	-51	-67.6	0	0	0	113.6	L328 L331 F357 Y371 G379 L385 G387 F388	L328-Y381 HydrophobicContact CD2-CE1 3.81Å; L328-Y381 HydrophobicContact CG-CE1 4.34Å; L331-Y381 VanDerWaalsContact CD1-OH 3.28Å; L331-Y381 WeakPolarHBondContact CD1-OH 3.41Å; F357-Y381 HydrophobicContact CE1-CE1 4.38Å; F357-Y381 HydrophobicContact CZ-CE1 4.35Å; Y371-Y381 HydrophobicContact CE1-CE2 4.5Å; Y371-Y381 HydrophobicContact CE2-CE2 4.37Å; Y371-Y381 AromaticContact CZ-CE2 3.85Å; Y371-Y381 WeakPolarHBondContact OH-CE2 3.45Å; G379-Y381 VanDerWaalsContact C-N 3.28Å; G379-Y381 PolarHBondContact O-N 2.88Å; G379-Y381 VanDerWaalsContact O-N 3.15Å; Y381-L385 HydrophobicContact CD1-CD1 4.36Å; Y381-L385 CarbonylContact O-C 3.56Å; Y381-L385 VanDerWaalsContact O-CB 3.31Å; Y381-L385 WeakPolarHBondContact O-CB 3.28Å; Y381-G387 WeakPolarHBondContact O-CA 3.26Å; Y381-G387 PolarHBondContact O-N 3.01Å; Y381-F388 AromaticContact CD2-CE2 3.63Å; Y381-F388 HydrophobicContact CD2-CE2 3.63Å; Y381-F388 HydrophobicContact CD2-CZ 4.16Å; Y381-F388 HydrophobicContact CE2-CE2 4.26Å; Y381-F388 HydrophobicContact CE2-CZ 4.45Å; Y381-F388 HydrophobicContact CG-CE2 4.1Å
382	T	88.7	Confident	88.5	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.025	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-19.3	-173.9	54.2	0	0	0	0	113.8	D217 F218 G379	D217-T382 HydrophobicContact CB-CG2 3.74Å; D217-T382 WeakPolarHBondContact OD2-CG2 3.36Å; F218-T382 HydrophobicContact CE1-CG2 4.43Å; F218-T382 HydrophobicContact CZ-CG2 4.22Å; G379-T382 WeakPolarHBondContact CA-OG1 3.47Å; G379-T382 PolarHBondContact O-N 3.38Å; G379-T382 VanDerWaalsContact O-N 3.08Å
383	F	83.6	Confident	88.5	Confident	114 Å²	114	35.7 Å²	35.7	50%	0.5	17%	0.171	S	C	.	.	S	Bend	trans	-64.2	-62.8	180	-177.4	-117	0	0	0	111.5	I378 G379	I378-F383 HydrophobicContact CG2-CD2 4.25Å; I378-F383 HydrophobicContact CG2-CE2 4.32Å; G379-F383 WeakPolarHBondContact O-CB 3.23Å; G379-F383 PolarHBondContact O-N 2.61Å
384	R	81.9	Confident	88.6	Confident	55 Å²	55	36.8 Å²	36.8	21%	0.208	18%	0.177	C	C	.	.	S	Bend	trans	-109.6	-15.5	-178.8	64.6	-178.6	177.3	85.5	-6.3	114.9	E336 R344	E336-R384 IonicContact OE1-CZ 3.53Å; E336-R384 IonicContact OE1-NH1 3.84Å; E336-R384 PolarHBondContact OE1-NH1 2.88Å; E336-R384 IonicContact OE2-CZ 2.74Å; E336-R384 IonicContact OE2-NH1 3.02Å; E336-R384 PolarHBondContact OE2-NH1 2.87Å; E336-R384 IonicContact OE2-NH2 3.96Å; E336-R384 PolarHBondContact OE2-NH2 2.91Å; R344-R384 PolarHBondContact N-O 2.86Å
385	L	88.5	Confident	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-101.1	164.1	177.8	-46.3	179.6	0	0	0	110.3	T342 R343 R344 V352 Y381 G387	T342-L385 CarbonylContact O-C 3.43Å; T342-L385 WeakPolarHBondContact O-CA 3.48Å; R343-L385 HydrophobicContact CG-CD2 3.77Å; R344-L385 VanDerWaalsContact CD-O 3.26Å; R344-L385 WeakPolarHBondContact CD-O 3.5Å; R344-L385 VanDerWaalsContact CG-O 3.28Å; R344-L385 WeakPolarHBondContact CG-O 3.33Å; V352-L385 HydrophobicContact CG1-CB 4.02Å; V352-L385 HydrophobicContact CG1-CD1 4.02Å; Y381-L385 HydrophobicContact CD1-CD1 4.36Å; Y381-L385 CarbonylContact O-C 3.56Å; Y381-L385 VanDerWaalsContact O-CB 3.31Å; Y381-L385 WeakPolarHBondContact O-CB 3.28Å; L385-G387 PolarHBondContact O-N 2.68Å
386	K	90	Very high	89.5	Confident	53 Å²	53	36.3 Å²	36.3	23%	0.23	17%	0.174	C	C	.	.			trans	-69	-5	-176.5	-80.5	-170.1	172.7	-175.3	0	114.6	T342 R344 A349 F351	T342-K386 PolarHBondContact O-N 3.46Å; R344-K386 HydrophobicContact CG-CG 4.2Å; A349-K386 HydrophobicContact CB-CD 4.17Å; A349-K386 WeakPolarHBondContact O-CE 3.42Å; A349-K386 PolarHBondContact O-NZ 2.85Å; F351-K386 HydrophobicContact CD1-CB 4Å; F351-K386 WeakPolarHBondContact CD1-O 3.49Å; F351-K386 HydrophobicContact CE1-CB 4.41Å; F351-K386 HydrophobicContact CG-CB 4.35Å
387	G	92.8	Very high	90.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.			trans	69.2	-172.9	-172.9	0	0	0	0	0	112.7	D217 F351 V352 Y381 L385	D217-G387 VanDerWaalsContact OD2-CA 3.24Å; D217-G387 WeakPolarHBondContact OD2-CA 3.33Å; F351-G387 WeakPolarHBondContact CB-O 3.28Å; F351-G387 WeakPolarHBondContact CD1-O 3.37Å; V352-G387 VanDerWaalsContact CG2-C 3.41Å; V352-G387 VanDerWaalsContact CG2-O 3.25Å; V352-G387 WeakPolarHBondContact CG2-O 3.19Å; V352-G387 PolarHBondContact N-O 2.99Å; Y381-G387 WeakPolarHBondContact O-CA 3.26Å; Y381-G387 PolarHBondContact O-N 3.01Å; L385-G387 PolarHBondContact O-N 2.68Å
388	F	95.4	Very high	91.3	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.026	16%	0.156	C	C	.	.			trans	-87.3	133.5	174.4	-65.9	-81.5	0	0	0	111.1	D217 V352 D353 F357 W359 Y381 E390 P392	D217-F388 PolarHBondContact N-O 3.36Å; D217-F388 PolarHBondContact OD2-N 3.49Å; V352-F388 HydrophobicContact CG2-CB 4.43Å; V352-F388 HydrophobicContact CG2-CD1 3.46Å; V352-F388 VanDerWaalsContact CG2-CD1 3.46Å; V352-F388 HydrophobicContact CG2-CD2 3.82Å; V352-F388 HydrophobicContact CG2-CE1 3.49Å; V352-F388 VanDerWaalsContact CG2-CE1 3.49Å; V352-F388 HydrophobicContact CG2-CE2 3.85Å; V352-F388 HydrophobicContact CG2-CG 3.63Å; V352-F388 HydrophobicContact CG2-CZ 3.69Å; D353-F388 WeakPolarHBondContact OD2-CA 3.25Å; F357-F388 HydrophobicContact CD2-CE1 4.18Å; F357-F388 AromaticContact CE2-CE1 3.46Å; F357-F388 HydrophobicContact CE2-CE1 3.46Å; F357-F388 VanDerWaalsContact CE2-CE1 3.46Å; F357-F388 AromaticContact CE2-CZ 3.68Å; F357-F388 HydrophobicContact CE2-CZ 3.68Å; F357-F388 HydrophobicContact CZ-CE1 4.03Å; F357-F388 AromaticContact CZ-CZ 3.76Å; F357-F388 HydrophobicContact CZ-CZ 3.76Å; W359-F388 HydrophobicContact CZ2-CE1 4.39Å; W359-F388 HydrophobicContact CZ2-CZ 4.08Å; Y381-F388 AromaticContact CD2-CE2 3.63Å; Y381-F388 HydrophobicContact CD2-CE2 3.63Å; Y381-F388 HydrophobicContact CD2-CZ 4.16Å; Y381-F388 HydrophobicContact CE2-CE2 4.26Å; Y381-F388 HydrophobicContact CE2-CZ 4.45Å; Y381-F388 HydrophobicContact CG-CE2 4.1Å; F388-E390 WeakPolarHBondContact CB-O 3.28Å; F388-P392 HydrophobicContact CD1-CB 3.78Å; F388-P392 HydrophobicContact CD1-CG 4.3Å; F388-P392 HydrophobicContact CD2-CB 4.34Å; F388-P392 HydrophobicContact CD2-CG 4.06Å; F388-P392 HydrophobicContact CE1-CB 3.65Å; F388-P392 HydrophobicContact CE1-CG 4.39Å; F388-P392 HydrophobicContact CE2-CB 4.24Å; F388-P392 HydrophobicContact CE2-CG 4.15Å; F388-P392 HydrophobicContact CG-CB 4.13Å; F388-P392 HydrophobicContact CG-CG 4.14Å; F388-P392 HydrophobicContact CZ-CB 3.9Å; F388-P392 HydrophobicContact CZ-CG 4.32Å
389	K	93.9	Very high	92.1	Very high	135 Å²	135	30.7 Å²	30.7	59%	0.587	14%	0.141	S	C	*	.	S	Bend	trans	-80.4	-43.8	171	-172	-174.4	176.3	-164.7	0	110.6	F351 D353	F351-K389 HydrophobicContact CB-CB 4.11Å; F351-K389 HydrophobicContact CD1-CB 3.9Å; F351-K389 HydrophobicContact CD2-CB 4.11Å; F351-K389 HydrophobicContact CD2-CD 4.32Å; F351-K389 HydrophobicContact CE1-CB 4.32Å; F351-K389 HydrophobicContact CE2-CD 4.4Å; F351-K389 HydrophobicContact CG-CB 3.79Å; D353-K389 PolarHBondContact OD1-N 2.79Å; D353-K389 PolarHBondContact OD2-N 3.04Å
390	E	94.8	Very high	92.6	Very high	134 Å²	134	30.6 Å²	30.6	63%	0.626	14%	0.14	S	C	*	.	S	Bend	trans	-106.3	159.6	177.5	-63.6	179.6	-173.5	0	0	111	D353 F388 P392	D353-E390 PolarHBondContact OD1-N 3.39Å; F388-E390 WeakPolarHBondContact CB-O 3.28Å; E390-P392 WeakPolarHBondContact O-CD 3.43Å
391	Q	94.9	Very high	92.9	Very high	68 Å²	68	30.7 Å²	30.7	32%	0.318	14%	0.14	S	C	.	.			trans	-66.8	124	179.6	-166.7	178.9	-70	0	0	109.9	F214 T393 D394 Y396	F214-Q391 HydrophobicContact CD1-CB 3.86Å; F214-Q391 HydrophobicContact CD1-CG 4.43Å; F214-Q391 HydrophobicContact CE1-CB 4.16Å; F214-Q391 HydrophobicContact CG-CB 4.28Å; F214-Q391 HydrophobicContact CG-CG 4.36Å; Q391-T393 WeakPolarHBondContact CG-O 3.17Å; Q391-T393 PolarHBondContact NE2-O 2.87Å; Q391-T393 PolarHBondContact O-N 2.78Å; Q391-D394 PolarHBondContact NE2-O 3.11Å; Q391-Y396 HydrophobicContact CG-CD1 4.23Å; Q391-Y396 HydrophobicContact CG-CG 4.48Å
392	P	95.1	Very high	92.9	Very high	22 Å²	22	32.9 Å²	32.9	14%	0.143	15%	0.148	C	C	.	.	S	Bend	trans	-75.2	-25.5	-168.2	26.5	-35	0	0	0	115.1	W359 F388 E390 Y396	W359-P392 HydrophobicContact CZ2-CB 4.3Å; W359-P392 PolarHBondContact NE1-O 3.35Å; F388-P392 HydrophobicContact CD1-CB 3.78Å; F388-P392 HydrophobicContact CD1-CG 4.3Å; F388-P392 HydrophobicContact CD2-CB 4.34Å; F388-P392 HydrophobicContact CD2-CG 4.06Å; F388-P392 HydrophobicContact CE1-CB 3.65Å; F388-P392 HydrophobicContact CE1-CG 4.39Å; F388-P392 HydrophobicContact CE2-CB 4.24Å; F388-P392 HydrophobicContact CE2-CG 4.15Å; F388-P392 HydrophobicContact CG-CB 4.13Å; F388-P392 HydrophobicContact CG-CG 4.14Å; F388-P392 HydrophobicContact CZ-CB 3.9Å; F388-P392 HydrophobicContact CZ-CG 4.32Å; E390-P392 WeakPolarHBondContact O-CD 3.43Å; P392-Y396 HydrophobicContact CG-CD1 4.31Å; P392-Y396 HydrophobicContact CG-CD2 4.12Å; P392-Y396 HydrophobicContact CG-CE1 4.3Å; P392-Y396 HydrophobicContact CG-CE2 4.15Å; P392-Y396 HydrophobicContact CG-CG 4.21Å
393	T	95.9	Very high	93.2	Very high	8 Å²	8	33.4 Å²	33.4	5%	0.049	15%	0.15	C	C	.	.	S	Bend	trans	-140.6	166.5	-175.3	49	0	0	0	0	110	W359 T369 Y371 Q391 H395	W359-T393 HydrophobicContact CB-CG2 4.44Å; W359-T393 HydrophobicContact CD2-CG2 4.23Å; W359-T393 HydrophobicContact CG-CG2 4.08Å; T369-T393 WeakPolarHBondContact OG1-CA 3.3Å; Y371-T393 PolarHBondContact N-OG1 3.05Å; Q391-T393 WeakPolarHBondContact CG-O 3.17Å; Q391-T393 PolarHBondContact NE2-O 2.87Å; Q391-T393 PolarHBondContact O-N 2.78Å; T393-H395 PolarHBondContact O-N 3.28Å; T393-H395 PolarHBondContact OG1-O 3.19Å
394	D	95.6	Very high	93.6	Very high	25 Å²	25	28.1 Å²	28.1	13%	0.134	13%	0.127	C	C	.	.	S	Bend	trans	-59.4	-38.1	178	-57.8	-68	0	0	0	111.8	K261 K363 T369 Q391	K261-D394 HydrophobicContact CD-CB 4.4Å; K261-D394 WeakPolarHBondContact CE-O 3.43Å; K261-D394 PolarHBondContact NZ-O 3.25Å; K363-D394 IonicContact NZ-OD1 3.56Å; K363-D394 PolarHBondContact NZ-OD1 2.98Å; K363-D394 IonicContact NZ-OD2 3.33Å; K363-D394 PolarHBondContact NZ-OD2 2.61Å; T369-D394 PolarHBondContact N-OD2 2.83Å; T369-D394 WeakPolarHBondContact O-CA 3.48Å; T369-D394 WeakPolarHBondContact O-CB 3.36Å; T369-D394 PolarHBondContact O-N 3.31Å; T369-D394 PolarHBondContact OG1-N 2.83Å; T369-D394 PolarHBondContact OG1-OD2 2.04Å; Q391-D394 PolarHBondContact NE2-O 3.11Å
395	H	97.4	Very high	94	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.1	180	-62.3	-72.2	0	0	0	109.9	D237 I258 V259 T369 L370 Y371 T393 Y428 F432 Y436	D237-H395 IonicContact OD1-CE1 2.84Å; D237-H395 IonicContact OD1-ND1 2.65Å; D237-H395 IonicContact OD2-CE1 3.16Å; D237-H395 IonicContact OD2-CG 2.67Å; D237-H395 IonicContact OD2-ND1 3.36Å; D237-H395 PolarHBondContact OD2-ND1 3.02Å; I258-H395 HydrophobicContact CD1-CB 4.12Å; V259-H395 PolarHBondContact O-CE1 3.21Å; T369-H395 PolarHBondContact O-N 2.89Å; L370-H395 WeakPolarHBondContact CA-O 3.31Å; L370-H395 HydrophobicContact CB-CB 3.97Å; L370-H395 HydrophobicContact CD1-CB 3.88Å; L370-H395 HydrophobicContact CG-CB 3.8Å; Y371-H395 PolarHBondContact N-O 3.15Å; T393-H395 PolarHBondContact O-N 3.28Å; T393-H395 PolarHBondContact OG1-O 3.19Å; H395-Y428 HydrophobicContact CB-CE1 4.43Å; H395-Y428 WeakPolarHBondContact CB-OH 3.39Å; H395-F432 AromaticContact CD2-CD2 3.72Å; H395-F432 AromaticContact CD2-CE2 3.47Å; H395-F432 VanDerWaalsContact CD2-CE2 3.47Å; H395-F432 WeakPolarHBondContact CD2-CE2 3.03Å; H395-F432 AromaticContact NE2-CE2 3.94Å; H395-Y436 AromaticContact NE2-CE2 3.39Å; H395-Y436 WeakPolarHBondContact NE2-CE2 3.46Å; H395-Y436 AromaticContact NE2-CZ 3.68Å; H395-Y436 PolarHBondContact NE2-OH 2.97Å; H395-Y436 VanDerWaalsContact NE2-OH 3.11Å
396	Y	96.6	Very high	94	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	93.4	-172.2	-175	-141.2	0	0	0	112.7	F214 D217 F238 Y371 Q391 P392 R398 T399	F214-Y396 AromaticContact CD2-CD1 3.81Å; F214-Y396 HydrophobicContact CD2-CD1 3.81Å; F214-Y396 AromaticContact CD2-CE1 3.92Å; F214-Y396 HydrophobicContact CD2-CE1 3.92Å; F214-Y396 HydrophobicContact CE2-CD1 4.01Å; F214-Y396 AromaticContact CE2-CE1 3.68Å; F214-Y396 HydrophobicContact CE2-CE1 3.68Å; D217-Y396 VanDerWaalsContact OD1-CE1 3.31Å; D217-Y396 WeakPolarHBondContact OD1-CE1 3.4Å; D217-Y396 PolarHBondContact OD1-OH 3.08Å; F238-Y396 WeakPolarHBondContact CE2-O 3.28Å; F238-Y396 WeakPolarHBondContact CZ-O 3.43Å; Y371-Y396 AromaticContact CD1-CD2 3.82Å; Y371-Y396 HydrophobicContact CD1-CD2 3.82Å; Y371-Y396 AromaticContact CD1-CE2 3.55Å; Y371-Y396 HydrophobicContact CD1-CE2 3.55Å; Y371-Y396 HydrophobicContact CE1-CE2 4.03Å; Y371-Y396 WeakPolarHBondContact O-CA 3.49Å; Y371-Y396 WeakPolarHBondContact O-CD2 3.19Å; Q391-Y396 HydrophobicContact CG-CD1 4.23Å; Q391-Y396 HydrophobicContact CG-CG 4.48Å; P392-Y396 HydrophobicContact CG-CD1 4.31Å; P392-Y396 HydrophobicContact CG-CD2 4.12Å; P392-Y396 HydrophobicContact CG-CE1 4.3Å; P392-Y396 HydrophobicContact CG-CE2 4.15Å; P392-Y396 HydrophobicContact CG-CG 4.21Å; Y396-R398 VanDerWaalsContact C-N 3.26Å; Y396-R398 HydrophobicContact CD2-CB 4.15Å; Y396-R398 HydrophobicContact CE1-CB 4.07Å; Y396-R398 HydrophobicContact CE2-CB 3.58Å; Y396-R398 PolarHBondContact O-N 3.14Å; Y396-R398 WeakPolarHBondContact OH-CD 3.29Å; Y396-T399 PolarHBondContact O-N 2.79Å; Y396-T399 PolarHBondContact O-OG1 2.95Å
397	L	95.9	Very high	94	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.5	-169.5	-169.9	63.7	0	0	0	113.8	F238 A256 Y371 A372 T399 F400 Y401 Q425 Y428	F238-L397 HydrophobicContact CE1-CD1 3.73Å; F238-L397 HydrophobicContact CZ-CD1 4.33Å; A256-L397 HydrophobicContact CB-CD1 4.15Å; Y371-L397 PolarHBondContact O-N 3.3Å; A372-L397 HydrophobicContact CB-CB 3.56Å; A372-L397 HydrophobicContact CB-CD2 3.81Å; A372-L397 HydrophobicContact CB-CG 4.34Å; L397-T399 PolarHBondContact O-N 3.46Å; L397-F400 HydrophobicContact CD1-CB 3.98Å; L397-F400 HydrophobicContact CD1-CD1 4.49Å; L397-F400 HydrophobicContact CD1-CG 4.37Å; L397-F400 WeakPolarHBondContact O-CB 3.38Å; L397-F400 PolarHBondContact O-N 2.65Å; L397-Y401 HydrophobicContact CD2-CE2 3.73Å; L397-Y401 HydrophobicContact CG-CD2 4.26Å; L397-Y401 HydrophobicContact CG-CE2 3.82Å; L397-Q425 HydrophobicContact CD2-CB 4.11Å; L397-Q425 HydrophobicContact CD2-CG 3.67Å; L397-Y428 HydrophobicContact CB-CD1 4.12Å; L397-Y428 HydrophobicContact CB-CE1 3.89Å; L397-Y428 HydrophobicContact CD1-CD1 3.84Å; L397-Y428 HydrophobicContact CD1-CD2 4.17Å; L397-Y428 HydrophobicContact CD1-CE1 4.01Å; L397-Y428 HydrophobicContact CD1-CE2 4.33Å; L397-Y428 HydrophobicContact CD1-CG 3.92Å; L397-Y428 HydrophobicContact CD2-CD1 4.17Å; L397-Y428 HydrophobicContact CG-CD1 4.26Å; L397-Y428 HydrophobicContact CG-CE1 4.42Å
398	R	93.9	Very high	93.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-55.2	-32.7	180	-165.5	-169.8	168.2	-75.7	0.7	112.6	D217 E373 Y396 F400 Y401 R402	D217-R398 PolarHBondContact O-NH1 3.38Å; D217-R398 PolarHBondContact O-NH2 3.11Å; D217-R398 IonicContact OD1-NH1 3.88Å; E373-R398 HydrophobicContact CG-CB 4.17Å; E373-R398 HydrophobicContact CG-CG 4.05Å; E373-R398 WeakPolarHBondContact OE1-CD 3.29Å; Y396-R398 VanDerWaalsContact C-N 3.26Å; Y396-R398 HydrophobicContact CD2-CB 4.15Å; Y396-R398 HydrophobicContact CE1-CB 4.07Å; Y396-R398 HydrophobicContact CE2-CB 3.58Å; Y396-R398 PolarHBondContact O-N 3.14Å; Y396-R398 WeakPolarHBondContact OH-CD 3.29Å; R398-F400 VanDerWaalsContact C-N 3.25Å; R398-F400 PolarHBondContact O-N 3.39Å; R398-Y401 PolarHBondContact O-N 2.96Å; R398-R402 WeakPolarHBondContact O-CB 3.48Å; R398-R402 PolarHBondContact O-N 2.83Å
399	T	94.6	Very high	93.1	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-55.7	-39.8	175.5	-48.5	0	0	0	0	112.1	F212 F214 V220 F238 Y396 L397 K403	F212-T399 HydrophobicContact CD2-CG2 4.43Å; F214-T399 HydrophobicContact CB-CG2 4.29Å; V220-T399 HydrophobicContact CG1-CG2 4.21Å; V220-T399 HydrophobicContact CG2-CG2 4.08Å; F238-T399 HydrophobicContact CD2-CG2 4.17Å; F238-T399 HydrophobicContact CE2-CG2 4.34Å; Y396-T399 PolarHBondContact O-N 2.79Å; Y396-T399 PolarHBondContact O-OG1 2.95Å; L397-T399 PolarHBondContact O-N 3.46Å; T399-K403 PolarHBondContact O-N 2.96Å
400	F	95.6	Very high	92.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.7	-55.9	176.6	176.3	-98.9	0	0	0	111.6	F212 F238 A256 L397 R398 R402 K403 V404 F416 V424	F212-F400 HydrophobicContact CZ-CD2 4.17Å; F238-F400 HydrophobicContact CB-CD2 4.43Å; F238-F400 HydrophobicContact CD1-CB 3.8Å; F238-F400 HydrophobicContact CD1-CD2 4.08Å; F238-F400 HydrophobicContact CD1-CG 4.34Å; F238-F400 HydrophobicContact CE1-CB 4Å; F238-F400 HydrophobicContact CG-CB 4.16Å; A256-F400 HydrophobicContact CB-CD2 4.12Å; A256-F400 HydrophobicContact CB-CE2 4.24Å; L397-F400 HydrophobicContact CD1-CB 3.98Å; L397-F400 HydrophobicContact CD1-CD1 4.49Å; L397-F400 HydrophobicContact CD1-CG 4.37Å; L397-F400 WeakPolarHBondContact O-CB 3.38Å; L397-F400 PolarHBondContact O-N 2.65Å; R398-F400 VanDerWaalsContact C-N 3.25Å; R398-F400 PolarHBondContact O-N 3.39Å; F400-R402 VanDerWaalsContact C-N 3.28Å; F400-R402 PolarHBondContact O-N 2.88Å; F400-K403 PolarHBondContact O-N 3.03Å; F400-V404 HydrophobicContact CD1-CG2 4.42Å; F400-V404 HydrophobicContact CE1-CG2 4.13Å; F400-V404 HydrophobicContact CE2-CG2 4.47Å; F400-V404 HydrophobicContact CZ-CG2 4.16Å; F400-V404 WeakPolarHBondContact O-CG2 3.14Å; F400-V404 PolarHBondContact O-N 3.24Å; F400-V404 VanDerWaalsContact O-N 3.12Å; F400-F416 HydrophobicContact CE1-CD1 4.42Å; F400-F416 AromaticContact CE1-CE1 3.77Å; F400-F416 HydrophobicContact CE1-CE1 3.77Å; F400-F416 HydrophobicContact CE1-CE2 4.02Å; F400-F416 AromaticContact CE1-CZ 3.53Å; F400-F416 HydrophobicContact CE1-CZ 3.53Å; F400-F416 AromaticContact CZ-CD1 3.99Å; F400-F416 HydrophobicContact CZ-CD1 3.99Å; F400-F416 AromaticContact CZ-CE1 3.67Å; F400-F416 HydrophobicContact CZ-CE1 3.67Å; F400-F416 HydrophobicContact CZ-CE2 4.47Å; F400-F416 AromaticContact CZ-CZ 3.93Å; F400-F416 HydrophobicContact CZ-CZ 3.93Å; F400-V424 HydrophobicContact CE1-CG1 4.22Å; F400-V424 HydrophobicContact CZ-CG1 4.28Å
401	Y	94.1	Very high	91.3	Very high	12 Å²	12	39.3 Å²	39.3	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-31.9	-178.2	-68	-66.6	0	0	0	112.9	E373 D374 L397 R398 V404 E405 F416 Q421	E373-Y401 WeakPolarHBondContact O-CD2 3.37Å; D374-Y401 HydrophobicContact CB-CD2 4.05Å; D374-Y401 HydrophobicContact CB-CE1 4.48Å; D374-Y401 HydrophobicContact CB-CE2 3.64Å; L397-Y401 HydrophobicContact CD2-CE2 3.73Å; L397-Y401 HydrophobicContact CG-CD2 4.26Å; L397-Y401 HydrophobicContact CG-CE2 3.82Å; R398-Y401 PolarHBondContact O-N 2.96Å; Y401-V404 PolarHBondContact O-N 3.36Å; Y401-E405 PolarHBondContact O-N 2.81Å; Y401-F416 HydrophobicContact CD1-CZ 4.38Å; Y401-F416 HydrophobicContact CE1-CE2 4.03Å; Y401-F416 HydrophobicContact CE1-CZ 4.03Å; Y401-Q421 HydrophobicContact CE1-CG 3.73Å; Y401-Q421 PolarHBondContact OH-NE2 3.2Å
402	R	92.3	Very high	90.4	Very high	47 Å²	47	39.3 Å²	39.3	18%	0.177	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-48.3	173.6	-178.6	66	-157.7	-177.7	4.7	112	V220 R398 F400 E405 D406	V220-R402 HydrophobicContact CG2-CB 3.98Å; V220-R402 HydrophobicContact CG2-CG 3.73Å; R398-R402 WeakPolarHBondContact O-CB 3.48Å; R398-R402 PolarHBondContact O-N 2.83Å; F400-R402 VanDerWaalsContact C-N 3.28Å; F400-R402 PolarHBondContact O-N 2.88Å; R402-E405 PolarHBondContact O-N 2.73Å; R402-D406 IonicContact CZ-OD1 3.05Å; R402-D406 IonicContact CZ-OD2 2.78Å; R402-D406 IonicContact NE-OD1 2.61Å; R402-D406 PolarHBondContact NE-OD1 3.42Å; R402-D406 IonicContact NE-OD2 3.67Å; R402-D406 PolarHBondContact NE-OD2 2.88Å; R402-D406 IonicContact NH2-OD1 3.41Å; R402-D406 PolarHBondContact NH2-OD1 3.06Å; R402-D406 IonicContact NH2-OD2 2.8Å; R402-D406 PolarHBondContact NH2-OD2 3.32Å; R402-D406 WeakPolarHBondContact O-CB 3.34Å; R402-D406 PolarHBondContact O-N 2.9Å
403	K	93.8	Very high	89.8	Confident	15 Å²	15	40.6 Å²	40.6	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-63.2	-43.2	178.4	-175.2	61	160.6	89.4	0	111.8	E210 F212 V220 T222 Y254 T399 F400 E405 D406 D407	E210-K403 VanDerWaalsContact OE1-CE 3.22Å; E210-K403 WeakPolarHBondContact OE1-CE 3.33Å; E210-K403 IonicContact OE1-NZ 2.6Å; E210-K403 PolarHBondContact OE1-NZ 3.49Å; F212-K403 HydrophobicContact CD1-CG 4Å; F212-K403 HydrophobicContact CD2-CB 3.94Å; F212-K403 HydrophobicContact CD2-CG 4.06Å; F212-K403 HydrophobicContact CE1-CB 4.35Å; F212-K403 HydrophobicContact CE1-CG 3.88Å; F212-K403 HydrophobicContact CE2-CB 3.56Å; F212-K403 HydrophobicContact CE2-CG 3.94Å; F212-K403 HydrophobicContact CG-CB 4.46Å; F212-K403 HydrophobicContact CG-CG 4.07Å; F212-K403 HydrophobicContact CZ-CB 3.78Å; F212-K403 HydrophobicContact CZ-CG 3.85Å; V220-K403 HydrophobicContact CG1-CB 4.34Å; V220-K403 HydrophobicContact CG1-CD 4.29Å; V220-K403 HydrophobicContact CG2-CB 4.43Å; T222-K403 WeakPolarHBondContact OG1-CE 3.37Å; Y254-K403 HydrophobicContact CE1-CG 4.38Å; T399-K403 PolarHBondContact O-N 2.96Å; F400-K403 PolarHBondContact O-N 3.03Å; K403-E405 VanDerWaalsContact C-N 3.32Å; K403-E405 PolarHBondContact O-N 3.17Å; K403-D406 PolarHBondContact O-N 3.26Å; K403-D407 IonicContact NZ-OD1 2.71Å; K403-D407 PolarHBondContact NZ-OD1 2.98Å; K403-D407 IonicContact NZ-OD2 3.84Å; K403-D407 PolarHBondContact NZ-OD2 3.26Å; K403-D407 WeakPolarHBondContact O-CB 3.2Å; K403-D407 PolarHBondContact O-N 2.81Å
404	V	92.8	Very high	89.3	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-46.1	178.5	172.9	0	0	0	0	110.7	Y254 F400 Y401 T408 Q413 F416	Y254-V404 HydrophobicContact CD1-CG2 3.78Å; Y254-V404 HydrophobicContact CD2-CG2 4.14Å; Y254-V404 HydrophobicContact CE1-CG2 4.32Å; Y254-V404 HydrophobicContact CG-CG2 3.69Å; F400-V404 HydrophobicContact CD1-CG2 4.42Å; F400-V404 HydrophobicContact CE1-CG2 4.13Å; F400-V404 HydrophobicContact CE2-CG2 4.47Å; F400-V404 HydrophobicContact CZ-CG2 4.16Å; F400-V404 WeakPolarHBondContact O-CG2 3.14Å; F400-V404 PolarHBondContact O-N 3.24Å; F400-V404 VanDerWaalsContact O-N 3.12Å; Y401-V404 PolarHBondContact O-N 3.36Å; V404-T408 HydrophobicContact CG1-CG2 4.41Å; V404-T408 VanDerWaalsContact O-CB 3.29Å; V404-T408 WeakPolarHBondContact O-CB 3.21Å; V404-T408 VanDerWaalsContact O-CG2 3.27Å; V404-T408 WeakPolarHBondContact O-CG2 3.14Å; V404-T408 PolarHBondContact O-N 3.42Å; V404-T408 PolarHBondContact O-OG1 2.93Å; V404-Q413 HydrophobicContact CG1-CB 3.95Å; V404-Q413 HydrophobicContact CG1-CG 4.1Å; V404-F416 HydrophobicContact CB-CE1 4.33Å; V404-F416 HydrophobicContact CG1-CE1 3.77Å; V404-F416 HydrophobicContact CG1-CZ 4.01Å; V404-F416 HydrophobicContact CG2-CE1 3.61Å; V404-F416 HydrophobicContact CG2-CZ 4.08Å
405	E	89.1	Confident	89.1	Confident	23 Å²	23	41.6 Å²	41.6	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-41.5	178.7	-174	177.2	143.5	0	0	112.6	Q376 Y401 R402 K403 D407 T408 R409 H411	Q376-E405 WeakPolarHBondContact CG-OE2 3.32Å; Q376-E405 PolarHBondContact NE2-OE1 2.64Å; Q376-E405 PolarHBondContact NE2-OE2 2.83Å; Y401-E405 PolarHBondContact O-N 2.81Å; R402-E405 PolarHBondContact O-N 2.73Å; K403-E405 VanDerWaalsContact C-N 3.32Å; K403-E405 PolarHBondContact O-N 3.17Å; E405-D407 VanDerWaalsContact C-N 3.27Å; E405-D407 PolarHBondContact O-N 3Å; E405-T408 PolarHBondContact O-N 3.06Å; E405-R409 VanDerWaalsContact O-CA 3.29Å; E405-R409 WeakPolarHBondContact O-CA 3.39Å; E405-R409 PolarHBondContact O-N 3.38Å; E405-H411 IonicContact OE1-CE1 2.77Å; E405-H411 PolarHBondContact OE1-CE1 3.06Å; E405-H411 IonicContact OE1-ND1 2.76Å; E405-H411 PolarHBondContact OE1-ND1 3.46Å; E405-H411 IonicContact OE2-ND1 3.05Å
406	D	89.2	Confident	88.9	Confident	42 Å²	42	41.8 Å²	41.8	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-40.5	177.6	-81.3	-31.2	0	0	0	111.4	R402 K403 R409	R402-D406 IonicContact CZ-OD1 3.05Å; R402-D406 IonicContact CZ-OD2 2.78Å; R402-D406 IonicContact NE-OD1 2.61Å; R402-D406 PolarHBondContact NE-OD1 3.42Å; R402-D406 IonicContact NE-OD2 3.67Å; R402-D406 PolarHBondContact NE-OD2 2.88Å; R402-D406 IonicContact NH2-OD1 3.41Å; R402-D406 PolarHBondContact NH2-OD1 3.06Å; R402-D406 IonicContact NH2-OD2 2.8Å; R402-D406 PolarHBondContact NH2-OD2 3.32Å; R402-D406 WeakPolarHBondContact O-CB 3.34Å; R402-D406 PolarHBondContact O-N 2.9Å; K403-D406 PolarHBondContact O-N 3.26Å; D406-R409 PolarHBondContact O-NE 3.13Å; D406-R409 PolarHBondContact O-NH1 3.11Å
407	D	90.9	Very high	88.6	Confident	64 Å²	64	43 Å²	43	34%	0.342	21%	0.212	S	C	.	.	H	α-helix	trans	-78.4	-42.8	179.7	-71.2	-5.8	0	0	0	113	Y254 K403 E405	Y254-D407 WeakPolarHBondContact CE1-OD2 3.33Å; Y254-D407 WeakPolarHBondContact OH-CB 3.33Å; Y254-D407 VanDerWaalsContact OH-CG 3.31Å; Y254-D407 PolarHBondContact OH-OD2 2.9Å; K403-D407 IonicContact NZ-OD1 2.71Å; K403-D407 PolarHBondContact NZ-OD1 2.98Å; K403-D407 IonicContact NZ-OD2 3.84Å; K403-D407 PolarHBondContact NZ-OD2 3.26Å; K403-D407 WeakPolarHBondContact O-CB 3.2Å; K403-D407 PolarHBondContact O-N 2.81Å; E405-D407 VanDerWaalsContact C-N 3.27Å; E405-D407 PolarHBondContact O-N 3Å
408	T	87.8	Confident	88.3	Confident	47 Å²	47	44.9 Å²	44.9	29%	0.288	23%	0.225	S	C	.	.	H	α-helix	trans	-91.3	-17.5	-171.6	64.3	0	0	0	0	113.9	Y254 V404 E405 K410	Y254-T408 HydrophobicContact CE2-CG2 4.41Å; V404-T408 HydrophobicContact CG1-CG2 4.41Å; V404-T408 VanDerWaalsContact O-CB 3.29Å; V404-T408 WeakPolarHBondContact O-CB 3.21Å; V404-T408 VanDerWaalsContact O-CG2 3.27Å; V404-T408 WeakPolarHBondContact O-CG2 3.14Å; V404-T408 PolarHBondContact O-N 3.42Å; V404-T408 PolarHBondContact O-OG1 2.93Å; E405-T408 PolarHBondContact O-N 3.06Å; T408-K410 PolarHBondContact O-N 3.28Å; T408-K410 VanDerWaalsContact O-N 3.11Å; T408-K410 PolarHBondContact OG1-N 3.02Å
409	R	81.8	Confident	88.2	Confident	191 Å²	191	46.6 Å²	46.6	72%	0.721	23%	0.233	S	C	*	.			trans	54.6	20.4	-169.6	-51.6	-58.8	-173.9	-159.5	-4.2	113.7	E405 D406	E405-R409 VanDerWaalsContact O-CA 3.29Å; E405-R409 WeakPolarHBondContact O-CA 3.39Å; E405-R409 PolarHBondContact O-N 3.38Å; D406-R409 PolarHBondContact O-NE 3.13Å; D406-R409 PolarHBondContact O-NH1 3.11Å
410	K	78	Confident	88	Confident	126 Å²	126	46.9 Å²	46.9	55%	0.548	24%	0.235	S	C	.	.			trans	-103.2	118.2	176.4	-69.8	178.6	178.6	-179.7	0	109.4	T408 Q413	T408-K410 PolarHBondContact O-N 3.28Å; T408-K410 VanDerWaalsContact O-N 3.11Å; T408-K410 PolarHBondContact OG1-N 3.02Å; K410-Q413 VanDerWaalsContact CD-OE1 3.28Å
411	H	72.6	Confident	87.8	Confident	124 Å²	124	46.9 Å²	46.9	57%	0.574	24%	0.235	S	C	*	.	S	Bend	trans	-68.3	134.8	164	-56.2	-51.5	0	0	0	108.2	E405	E405-H411 IonicContact OE1-CE1 2.77Å; E405-H411 PolarHBondContact OE1-CE1 3.06Å; E405-H411 IonicContact OE1-ND1 2.76Å; E405-H411 PolarHBondContact OE1-ND1 3.46Å; E405-H411 IonicContact OE2-ND1 3.05Å
412	D	74.7	Confident	87.6	Confident	68 Å²	68	46.9 Å²	46.9	36%	0.364	24%	0.235	S	C	.	.	S	Bend	trans	62.5	55	171.8	-51.1	-35.3	0	0	0	115.4	A414 I450	D412-A414 PolarHBondContact O-N 3.26Å; D412-I450 HydrophobicContact CB-CD1 4.5Å; D412-I450 HydrophobicContact CB-CG1 4.3Å; D412-I450 HydrophobicContact CB-CG2 3.93Å
413	Q	83.4	Confident	87.6	Confident	50 Å²	50	49 Å²	49	23%	0.234	24%	0.243	C	C	.	.			trans	-58.7	109	176.1	-178.6	67.7	29.9	0	0	111.8	V404 K410 C415 F416	V404-Q413 HydrophobicContact CG1-CB 3.95Å; V404-Q413 HydrophobicContact CG1-CG 4.1Å; K410-Q413 VanDerWaalsContact CD-OE1 3.28Å; Q413-C415 PolarHBondContact NE2-O 2.83Å; Q413-F416 HydrophobicContact CB-CZ 4.34Å; Q413-F416 HydrophobicContact CG-CE1 4.2Å; Q413-F416 HydrophobicContact CG-CZ 4.07Å
414	A	85.3	Confident	87.6	Confident	29 Å²	29	48.7 Å²	48.7	24%	0.24	24%	0.243	C	C	.	.			trans	-76	-28.5	-173.4	0	0	0	0	0	115.6	L176 D412 Q421 F451	L176-A414 HydrophobicContact CD1-CB 4.09Å; L176-A414 HydrophobicContact CD2-CB 4.32Å; D412-A414 PolarHBondContact O-N 3.26Å; A414-Q421 WeakPolarHBondContact O-CB 3.43Å; A414-Q421 PolarHBondContact O-N 2.99Å; A414-F451 HydrophobicContact CB-CE1 4.24Å; A414-F451 HydrophobicContact CB-CZ 3.76Å
415	C	91.4	Very high	87.6	Confident	24 Å²	24	48.6 Å²	48.6	16%	0.162	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.4	-174.9	-63.9	0	0	0	0	112.2	C178 Q413 E419	C178-C415 WeakPolarHBondContact CA-SG 3.47Å; C178-C415 HydrophobicContact CB-CB 3.75Å; C178-C415 WeakPolarHBondContact CB-SG 3.46Å; C178-C415 WeakPolarHBondContact SG-CB 3.19Å; C178-C415 CovalentContact SG-SG 2.05Å; C178-C415 PolarHBondContact SG-SG 3.07Å; Q413-C415 PolarHBondContact NE2-O 2.83Å; C415-E419 CarbonylContact C-O 3.5Å; C415-E419 WeakPolarHBondContact CA-O 3.46Å
416	F	92.7	Very high	88	Confident	5 Å²	5	47.7 Å²	47.7	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	78.7	172.3	-67.6	-82.1	0	0	0	109	N183 N253 Y254 F400 Y401 V404 Q413 S418 E419 Q421 V424	N183-F416 PolarHBondContact ND2-O 2.71Å; N183-F416 PolarHBondContact OD1-O 3.09Å; N253-F416 PolarHBondContact ND2-O 3.1Å; N253-F416 VanDerWaalsContact ND2-O 3.1Å; N253-F416 VanDerWaalsContact OD1-C 3.26Å; N253-F416 WeakPolarHBondContact OD1-CA 3.44Å; N253-F416 WeakPolarHBondContact OD1-CB 3.48Å; Y254-F416 HydrophobicContact CD2-CE1 4.5Å; F400-F416 HydrophobicContact CE1-CD1 4.42Å; F400-F416 AromaticContact CE1-CE1 3.77Å; F400-F416 HydrophobicContact CE1-CE1 3.77Å; F400-F416 HydrophobicContact CE1-CE2 4.02Å; F400-F416 AromaticContact CE1-CZ 3.53Å; F400-F416 HydrophobicContact CE1-CZ 3.53Å; F400-F416 AromaticContact CZ-CD1 3.99Å; F400-F416 HydrophobicContact CZ-CD1 3.99Å; F400-F416 AromaticContact CZ-CE1 3.67Å; F400-F416 HydrophobicContact CZ-CE1 3.67Å; F400-F416 HydrophobicContact CZ-CE2 4.47Å; F400-F416 AromaticContact CZ-CZ 3.93Å; F400-F416 HydrophobicContact CZ-CZ 3.93Å; Y401-F416 HydrophobicContact CD1-CZ 4.38Å; Y401-F416 HydrophobicContact CE1-CE2 4.03Å; Y401-F416 HydrophobicContact CE1-CZ 4.03Å; V404-F416 HydrophobicContact CB-CE1 4.33Å; V404-F416 HydrophobicContact CG1-CE1 3.77Å; V404-F416 HydrophobicContact CG1-CZ 4.01Å; V404-F416 HydrophobicContact CG2-CE1 3.61Å; V404-F416 HydrophobicContact CG2-CZ 4.08Å; Q413-F416 HydrophobicContact CB-CZ 4.34Å; Q413-F416 HydrophobicContact CG-CE1 4.2Å; Q413-F416 HydrophobicContact CG-CZ 4.07Å; F416-S418 PolarHBondContact O-N 3.03Å; F416-E419 PolarHBondContact N-O 2.97Å; F416-E419 PolarHBondContact O-N 3.24Å; F416-Q421 HydrophobicContact CD2-CB 4.41Å; F416-Q421 HydrophobicContact CE2-CB 4.06Å; F416-Q421 HydrophobicContact CE2-CG 4.13Å; F416-V424 HydrophobicContact CB-CG2 4.06Å; F416-V424 HydrophobicContact CD2-CB 4.41Å; F416-V424 HydrophobicContact CD2-CG2 3.88Å; F416-V424 HydrophobicContact CG-CG2 4.25Å
417	G	90.2	Very high	88.3	Confident	27 Å²	27	46.1 Å²	46.1	28%	0.278	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-118	-169.3	0	0	0	0	0	111.2	C178 S179 N183	C178-G417 WeakPolarHBondContact CB-O 3.3Å; S179-G417 WeakPolarHBondContact CB-O 3.44Å; S179-G417 PolarHBondContact N-O 2.7Å; N183-G417 WeakPolarHBondContact OD1-CA 3.46Å
418	S	89.9	Confident	88.6	Confident	39 Å²	39	43.1 Å²	43.1	27%	0.273	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.6	177.6	49	0	0	0	0	114.2	S179 K181 N183 F416	S179-S418 WeakPolarHBondContact O-CA 3.42Å; S179-S418 WeakPolarHBondContact O-CB 3.21Å; K181-S418 WeakPolarHBondContact O-CB 3.4Å; N183-S418 VanDerWaalsContact CG-OG 3.27Å; N183-S418 PolarHBondContact N-OG 2.69Å; N183-S418 VanDerWaalsContact N-OG 3.12Å; N183-S418 PolarHBondContact OD1-N 3.38Å; N183-S418 PolarHBondContact OD1-OG 2.77Å; N183-S418 VanDerWaalsContact OD1-OG 3.07Å; F416-S418 PolarHBondContact O-N 3.03Å
419	E	91.5	Very high	89.1	Confident	40 Å²	40	40.9 Å²	40.9	19%	0.187	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.7	-177.1	-66.8	175.2	101.5	0	0	110.6	N183 C415 F416 V424	N183-E419 PolarHBondContact ND2-OE2 3.15Å; C415-E419 CarbonylContact C-O 3.5Å; C415-E419 WeakPolarHBondContact CA-O 3.46Å; F416-E419 PolarHBondContact N-O 2.97Å; F416-E419 PolarHBondContact O-N 3.24Å; E419-V424 HydrophobicContact CB-CG2 3.97Å
420	S	91.7	Very high	89.8	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.063	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.9	171.2	53	0	0	0	0	110.9	H422 R423 V424	S420-H422 VanDerWaalsContact C-N 3.28Å; S420-H422 WeakPolarHBondContact CB-CE1 3.11Å; S420-H422 VanDerWaalsContact CB-NE2 3.35Å; S420-H422 WeakPolarHBondContact CB-NE2 3.36Å; S420-H422 PolarHBondContact O-N 3.46Å; S420-H422 PolarHBondContact OG-CD2 2.93Å; S420-H422 PolarHBondContact OG-CE1 2.9Å; S420-H422 PolarHBondContact OG-NE2 2.6Å; S420-R423 WeakPolarHBondContact O-CB 3.34Å; S420-R423 PolarHBondContact O-N 3Å; S420-R423 WeakPolarHBondContact OG-CD 3.3Å; S420-R423 VanDerWaalsContact OG-CG 3.31Å; S420-R423 WeakPolarHBondContact OG-CG 3.23Å; S420-V424 PolarHBondContact O-N 2.83Å; S420-V424 VanDerWaalsContact O-N 3.07Å
421	Q	91.5	Very high	90.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.2	-40.3	-179.2	175.2	-79.8	-25.2	0	0	112.8	D374 Y401 A414 F416 R423 V424 Q425 I450 F451	D374-Q421 PolarHBondContact OD2-NE2 3.13Å; Y401-Q421 HydrophobicContact CE1-CG 3.73Å; Y401-Q421 PolarHBondContact OH-NE2 3.2Å; A414-Q421 WeakPolarHBondContact O-CB 3.43Å; A414-Q421 PolarHBondContact O-N 2.99Å; F416-Q421 HydrophobicContact CD2-CB 4.41Å; F416-Q421 HydrophobicContact CE2-CB 4.06Å; F416-Q421 HydrophobicContact CE2-CG 4.13Å; Q421-R423 VanDerWaalsContact C-N 3.32Å; Q421-R423 PolarHBondContact O-N 3.36Å; Q421-V424 PolarHBondContact O-N 3.49Å; Q421-Q425 PolarHBondContact O-N 3.01Å; Q421-I450 HydrophobicContact CG-CD1 4.08Å; Q421-F451 HydrophobicContact CB-CE2 4.24Å
422	H	89.6	Confident	91.9	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-63.2	-36.9	177.2	53	-104.9	0	0	0	112.2	S420 Q425 L426 L461 P465	S420-H422 VanDerWaalsContact C-N 3.28Å; S420-H422 WeakPolarHBondContact CB-CE1 3.11Å; S420-H422 VanDerWaalsContact CB-NE2 3.35Å; S420-H422 WeakPolarHBondContact CB-NE2 3.36Å; S420-H422 PolarHBondContact O-N 3.46Å; S420-H422 PolarHBondContact OG-CD2 2.93Å; S420-H422 PolarHBondContact OG-CE1 2.9Å; S420-H422 PolarHBondContact OG-NE2 2.6Å; H422-Q425 PolarHBondContact O-N 3.07Å; H422-L426 WeakPolarHBondContact O-CB 3.3Å; H422-L426 WeakPolarHBondContact O-CD1 3.38Å; H422-L426 WeakPolarHBondContact O-CG 3.48Å; H422-L426 PolarHBondContact O-N 3.24Å; H422-L461 PolarHBondContact CE1-O 3.39Å; H422-P465 VanDerWaalsContact CD2-CB 3.45Å; H422-P465 WeakPolarHBondContact CD2-CB 3.43Å; H422-P465 WeakPolarHBondContact CD2-CG 3.33Å; H422-P465 WeakPolarHBondContact NE2-CG 3.15Å
423	R	91.7	Very high	92.9	Very high	92 Å²	92	18.5 Å²	18.5	35%	0.347	10%	0.104	S	C	.	.	H	α-helix	trans	-68.2	-43.1	176.2	-78.1	178.9	178.2	-80.7	-3	111.3	S420 Q421 Q425 L426 S427 P465 E468	S420-R423 WeakPolarHBondContact O-CB 3.34Å; S420-R423 PolarHBondContact O-N 3Å; S420-R423 WeakPolarHBondContact OG-CD 3.3Å; S420-R423 VanDerWaalsContact OG-CG 3.31Å; S420-R423 WeakPolarHBondContact OG-CG 3.23Å; Q421-R423 VanDerWaalsContact C-N 3.32Å; Q421-R423 PolarHBondContact O-N 3.36Å; R423-Q425 VanDerWaalsContact C-N 3.33Å; R423-Q425 PolarHBondContact O-N 3.09Å; R423-L426 PolarHBondContact O-N 3.45Å; R423-S427 VanDerWaalsContact O-CB 3.23Å; R423-S427 WeakPolarHBondContact O-CB 3.38Å; R423-S427 PolarHBondContact O-N 2.9Å; R423-S427 PolarHBondContact O-OG 3.31Å; R423-P465 HydrophobicContact CG-CB 4.12Å; R423-P465 HydrophobicContact CG-CG 4.41Å; R423-E468 IonicContact CZ-OE1 2.86Å; R423-E468 IonicContact CZ-OE2 2.76Å; R423-E468 VanDerWaalsContact CZ-OE2 3.27Å; R423-E468 IonicContact NH1-OE1 2.77Å; R423-E468 IonicContact NH1-OE2 2.75Å; R423-E468 PolarHBondContact NH1-OE2 2.96Å; R423-E468 VanDerWaalsContact NH2-CD 3.3Å; R423-E468 IonicContact NH2-OE1 3.03Å; R423-E468 PolarHBondContact NH2-OE1 2.7Å; R423-E468 IonicContact NH2-OE2 3.34Å; R423-E468 PolarHBondContact NH2-OE2 3.48Å
424	V	93.6	Very high	93.5	Very high	8 Å²	8	19.5 Å²	19.5	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-57	-50.1	175.6	173.9	0	0	0	0	110	F400 F416 E419 S420 Q421 S427 Y428	F400-V424 HydrophobicContact CE1-CG1 4.22Å; F400-V424 HydrophobicContact CZ-CG1 4.28Å; F416-V424 HydrophobicContact CB-CG2 4.06Å; F416-V424 HydrophobicContact CD2-CB 4.41Å; F416-V424 HydrophobicContact CD2-CG2 3.88Å; F416-V424 HydrophobicContact CG-CG2 4.25Å; E419-V424 HydrophobicContact CB-CG2 3.97Å; S420-V424 PolarHBondContact O-N 2.83Å; S420-V424 VanDerWaalsContact O-N 3.07Å; Q421-V424 PolarHBondContact O-N 3.49Å; V424-S427 PolarHBondContact O-N 2.84Å; V424-S427 PolarHBondContact O-OG 2.82Å; V424-Y428 PolarHBondContact O-N 2.78Å; V424-Y428 VanDerWaalsContact O-N 3.15Å
425	Q	94.3	Very high	93.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.4	-46.7	179.9	179.8	167.1	7.1	0	0	112.7	D374 L397 Q421 H422 R423 S427 Y428 Q446 F447 H448	D374-Q425 PolarHBondContact OD2-OE1 3.26Å; L397-Q425 HydrophobicContact CD2-CB 4.11Å; L397-Q425 HydrophobicContact CD2-CG 3.67Å; Q421-Q425 PolarHBondContact O-N 3.01Å; H422-Q425 PolarHBondContact O-N 3.07Å; R423-Q425 VanDerWaalsContact C-N 3.33Å; R423-Q425 PolarHBondContact O-N 3.09Å; Q425-S427 PolarHBondContact O-N 2.85Å; Q425-Y428 WeakPolarHBondContact O-CB 3.3Å; Q425-Y428 PolarHBondContact O-N 3.14Å; Q425-Q446 HydrophobicContact CG-CG 4.05Å; Q425-Q446 VanDerWaalsContact CG-NE2 3.33Å; Q425-Q446 PolarHBondContact O-NE2 3.08Å; Q425-F447 PolarHBondContact NE2-O 3.39Å; Q425-H448 VanDerWaalsContact CG-CE1 3.42Å; Q425-H448 WeakPolarHBondContact CG-CE1 3.5Å; Q425-H448 PolarHBondContact OE1-CE1 3.4Å; Q425-H448 VanDerWaalsContact OE1-CE1 3.28Å; Q425-H448 PolarHBondContact OE1-ND1 3Å
426	L	96.4	Very high	94.1	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-46.3	176.6	-72	167.5	0	0	0	111.3	L283 H422 R423 Y428 V429 E430 P465 H469	L283-L426 HydrophobicContact CD1-CD2 4.42Å; H422-L426 WeakPolarHBondContact O-CB 3.3Å; H422-L426 WeakPolarHBondContact O-CD1 3.38Å; H422-L426 WeakPolarHBondContact O-CG 3.48Å; H422-L426 PolarHBondContact O-N 3.24Å; R423-L426 PolarHBondContact O-N 3.45Å; L426-Y428 PolarHBondContact O-N 2.87Å; L426-V429 PolarHBondContact O-N 3.03Å; L426-E430 PolarHBondContact O-N 3.04Å; L426-P465 HydrophobicContact CD1-CB 3.91Å; L426-H469 HydrophobicContact CB-CB 4.48Å; L426-H469 HydrophobicContact CD1-CB 4.27Å; L426-H469 HydrophobicContact CD2-CB 4.09Å; L426-H469 PolarHBondContact O-CE1 2.81Å
427	S	95.4	Very high	94	Very high	9 Å²	9	22 Å²	22	6%	0.063	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-25.9	-179.6	75.9	0	0	0	0	113.8	R423 V424 Q425 V429 E430 D431	R423-S427 VanDerWaalsContact O-CB 3.23Å; R423-S427 WeakPolarHBondContact O-CB 3.38Å; R423-S427 PolarHBondContact O-N 2.9Å; R423-S427 PolarHBondContact O-OG 3.31Å; V424-S427 PolarHBondContact O-N 2.84Å; V424-S427 PolarHBondContact O-OG 2.82Å; Q425-S427 PolarHBondContact O-N 2.85Å; S427-V429 VanDerWaalsContact C-N 3.28Å; S427-V429 PolarHBondContact O-N 3.22Å; S427-E430 PolarHBondContact O-N 3.01Å; S427-D431 WeakPolarHBondContact O-CB 3.31Å; S427-D431 PolarHBondContact O-N 2.86Å
428	Y	97.3	Very high	94.1	Very high	1 Å²	1	26 Å²	26	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-36.7	174.2	-174.5	-115.9	0	0	0	111.8	D237 F238 A256 T257 I258 L370 H395 L397 V424 Q425 L426 F432	D237-Y428 HydrophobicContact CB-CE2 4.2Å; D237-Y428 PolarHBondContact OD2-OH 3.06Å; F238-Y428 HydrophobicContact CE1-CD2 4.46Å; F238-Y428 AromaticContact CE1-CE2 3.64Å; F238-Y428 HydrophobicContact CE1-CE2 3.64Å; F238-Y428 AromaticContact CE1-CZ 3.78Å; F238-Y428 HydrophobicContact CZ-CE2 4.2Å; F238-Y428 AromaticContact CZ-CZ 3.89Å; F238-Y428 WeakPolarHBondContact CZ-OH 3.45Å; A256-Y428 HydrophobicContact CB-CD2 3.97Å; A256-Y428 HydrophobicContact CB-CE2 4.46Å; T257-Y428 VanDerWaalsContact O-CE2 3.26Å; T257-Y428 WeakPolarHBondContact O-CE2 3.39Å; I258-Y428 HydrophobicContact CD1-CD2 3.93Å; I258-Y428 HydrophobicContact CD1-CE1 4.08Å; I258-Y428 HydrophobicContact CD1-CE2 3.39Å; I258-Y428 HydrophobicContact CD1-CG 4.48Å; I258-Y428 VanDerWaalsContact CD1-CZ 3.47Å; I258-Y428 HydrophobicContact CG1-CD2 4.21Å; I258-Y428 HydrophobicContact CG1-CE2 4.06Å; I258-Y428 WeakPolarHBondContact CG1-O 3.45Å; L370-Y428 HydrophobicContact CD1-CD1 3.91Å; L370-Y428 HydrophobicContact CD1-CE1 3.63Å; L370-Y428 HydrophobicContact CD2-CE1 4.44Å; L370-Y428 HydrophobicContact CG-CE1 4.06Å; H395-Y428 HydrophobicContact CB-CE1 4.43Å; H395-Y428 WeakPolarHBondContact CB-OH 3.39Å; L397-Y428 HydrophobicContact CB-CD1 4.12Å; L397-Y428 HydrophobicContact CB-CE1 3.89Å; L397-Y428 HydrophobicContact CD1-CD1 3.84Å; L397-Y428 HydrophobicContact CD1-CD2 4.17Å; L397-Y428 HydrophobicContact CD1-CE1 4.01Å; L397-Y428 HydrophobicContact CD1-CE2 4.33Å; L397-Y428 HydrophobicContact CD1-CG 3.92Å; L397-Y428 HydrophobicContact CD2-CD1 4.17Å; L397-Y428 HydrophobicContact CG-CD1 4.26Å; L397-Y428 HydrophobicContact CG-CE1 4.42Å; V424-Y428 PolarHBondContact O-N 2.78Å; V424-Y428 VanDerWaalsContact O-N 3.15Å; Q425-Y428 WeakPolarHBondContact O-CB 3.3Å; Q425-Y428 PolarHBondContact O-N 3.14Å; L426-Y428 PolarHBondContact O-N 2.87Å; Y428-F432 PolarHBondContact O-N 3.25Å; Y428-F432 VanDerWaalsContact O-N 3.14Å
429	V	97.7	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-78	-36.7	175.7	-178.8	0	0	0	0	111.6	Y281 L370 L426 S427 D431 F432 F433 A444 Q446 F473	Y281-V429 HydrophobicContact CD2-CG1 4.19Å; Y281-V429 HydrophobicContact CE1-CG1 4.08Å; Y281-V429 HydrophobicContact CE2-CG1 3.78Å; Y281-V429 HydrophobicContact CE2-CG2 4.34Å; L370-V429 HydrophobicContact CD2-CG2 4.18Å; L426-V429 PolarHBondContact O-N 3.03Å; S427-V429 VanDerWaalsContact C-N 3.28Å; S427-V429 PolarHBondContact O-N 3.22Å; V429-D431 VanDerWaalsContact C-N 3.26Å; V429-D431 PolarHBondContact O-N 2.83Å; V429-F432 WeakPolarHBondContact O-CB 3.25Å; V429-F432 PolarHBondContact O-N 3.12Å; V429-F432 VanDerWaalsContact O-N 3.1Å; V429-F433 HydrophobicContact CG1-CD2 3.95Å; V429-F433 HydrophobicContact CG1-CE2 3.96Å; V429-F433 WeakPolarHBondContact O-CD2 3.37Å; V429-F433 PolarHBondContact O-N 3.29Å; V429-F433 VanDerWaalsContact O-N 3.08Å; V429-A444 HydrophobicContact CG1-CB 4.27Å; V429-Q446 HydrophobicContact CG2-CB 4.35Å; V429-Q446 HydrophobicContact CG2-CG 4.42Å; V429-F473 HydrophobicContact CG1-CZ 4.12Å
430	E	97.5	Very high	94.1	Very high	34 Å²	34	32.9 Å²	32.9	16%	0.159	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-43.9	173	-61.4	175.8	179.2	0	0	111.3	L426 S427 F432 F433 T434 H469 F472	L426-E430 PolarHBondContact O-N 3.04Å; S427-E430 PolarHBondContact O-N 3.01Å; E430-F432 VanDerWaalsContact C-N 3.31Å; E430-F432 PolarHBondContact O-N 2.79Å; E430-F433 PolarHBondContact O-N 2.74Å; E430-T434 WeakPolarHBondContact O-CB 3.43Å; E430-T434 PolarHBondContact O-N 3.01Å; E430-T434 VanDerWaalsContact O-N 3.13Å; E430-T434 PolarHBondContact O-OG1 2.72Å; E430-H469 WeakPolarHBondContact CG-CE1 3.35Å; E430-H469 WeakPolarHBondContact CG-ND1 3.46Å; E430-H469 IonicContact OE1-CE1 3.45Å; E430-H469 IonicContact OE1-CG 3.99Å; E430-H469 IonicContact OE1-ND1 2.89Å; E430-H469 PolarHBondContact OE1-ND1 3.32Å; E430-F472 HydrophobicContact CB-CD1 3.95Å; E430-F472 HydrophobicContact CB-CE1 3.53Å; E430-F472 HydrophobicContact CB-CE2 4.33Å; E430-F472 HydrophobicContact CB-CZ 3.73Å; E430-F472 HydrophobicContact CG-CD1 3.63Å; E430-F472 HydrophobicContact CG-CE1 3.76Å; E430-F472 HydrophobicContact CG-CG 4.08Å; E430-F472 HydrophobicContact CG-CZ 4.3Å
431	D	96.6	Very high	94.2	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-36.1	177	-155.1	31.5	0	0	0	111.2	N189 T257 I258 S427 V429 F433 T434 A435	N189-D431 PolarHBondContact N-OD1 3.28Å; N189-D431 PolarHBondContact N-OD2 2.79Å; T257-D431 VanDerWaalsContact CA-OD2 3.29Å; T257-D431 WeakPolarHBondContact CA-OD2 3.22Å; T257-D431 WeakPolarHBondContact CB-OD2 3.41Å; T257-D431 PolarHBondContact OG1-OD2 2.76Å; I258-D431 HydrophobicContact CB-CB 4.37Å; I258-D431 HydrophobicContact CG1-CB 4.09Å; I258-D431 PolarHBondContact N-OD2 2.94Å; S427-D431 WeakPolarHBondContact O-CB 3.31Å; S427-D431 PolarHBondContact O-N 2.86Å; V429-D431 VanDerWaalsContact C-N 3.26Å; V429-D431 PolarHBondContact O-N 2.83Å; D431-F433 PolarHBondContact O-N 3.15Å; D431-T434 PolarHBondContact O-N 2.82Å; D431-T434 VanDerWaalsContact O-N 3.16Å; D431-A435 WeakPolarHBondContact O-CB 3.23Å; D431-A435 PolarHBondContact O-N 2.97Å
432	F	97.3	Very high	94.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-43	177.7	177.3	-118.8	0	0	0	112.8	I258 A368 L370 H395 Y428 V429 E430 T434 Y436 K442 A444	I258-F432 HydrophobicContact CD1-CB 3.99Å; I258-F432 HydrophobicContact CD1-CD2 4.21Å; I258-F432 HydrophobicContact CG1-CB 3.81Å; I258-F432 HydrophobicContact CG2-CD2 4.23Å; A368-F432 HydrophobicContact CB-CE2 3.99Å; A368-F432 HydrophobicContact CB-CZ 3.84Å; L370-F432 HydrophobicContact CB-CD1 4.25Å; L370-F432 HydrophobicContact CB-CE1 4.02Å; L370-F432 HydrophobicContact CB-CE2 4.44Å; L370-F432 HydrophobicContact CB-CZ 4.14Å; L370-F432 HydrophobicContact CD1-CB 3.77Å; L370-F432 HydrophobicContact CD1-CD1 3.95Å; L370-F432 HydrophobicContact CD1-CD2 4.06Å; L370-F432 HydrophobicContact CD1-CG 3.67Å; H395-F432 AromaticContact CD2-CD2 3.72Å; H395-F432 AromaticContact CD2-CE2 3.47Å; H395-F432 VanDerWaalsContact CD2-CE2 3.47Å; H395-F432 WeakPolarHBondContact CD2-CE2 3.03Å; H395-F432 AromaticContact NE2-CE2 3.94Å; Y428-F432 PolarHBondContact O-N 3.25Å; Y428-F432 VanDerWaalsContact O-N 3.14Å; V429-F432 WeakPolarHBondContact O-CB 3.25Å; V429-F432 PolarHBondContact O-N 3.12Å; V429-F432 VanDerWaalsContact O-N 3.1Å; E430-F432 VanDerWaalsContact C-N 3.31Å; E430-F432 PolarHBondContact O-N 2.79Å; F432-T434 VanDerWaalsContact C-N 3.28Å; F432-T434 PolarHBondContact O-N 3.1Å; F432-Y436 AromaticContact CD2-CD2 3.76Å; F432-Y436 HydrophobicContact CD2-CD2 3.76Å; F432-Y436 AromaticContact CD2-CE2 3.72Å; F432-Y436 HydrophobicContact CD2-CE2 3.72Å; F432-Y436 AromaticContact CE2-CD2 3.66Å; F432-Y436 HydrophobicContact CE2-CD2 3.66Å; F432-Y436 AromaticContact CE2-CE2 3.46Å; F432-Y436 HydrophobicContact CE2-CE2 3.46Å; F432-Y436 VanDerWaalsContact CE2-CE2 3.46Å; F432-K442 HydrophobicContact CD1-CD 4.47Å; F432-K442 HydrophobicContact CE1-CB 3.73Å; F432-K442 HydrophobicContact CE1-CD 4.25Å; F432-K442 HydrophobicContact CE1-CG 4.32Å; F432-K442 HydrophobicContact CZ-CB 4.09Å; F432-K442 HydrophobicContact CZ-CG 4.43Å; F432-A444 HydrophobicContact CD1-CB 4.23Å; F432-A444 HydrophobicContact CE1-CB 4.15Å
433	F	96.8	Very high	94.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-69.9	-27.3	175.5	-85.1	-99.6	0	0	0	112.7	N279 Y281 V429 E430 D431 K442 A444 F473 F478 T482	N279-F433 HydrophobicContact CB-CE1 4.01Å; N279-F433 HydrophobicContact CB-CZ 4.41Å; Y281-F433 HydrophobicContact CG-CE2 4.46Å; V429-F433 HydrophobicContact CG1-CD2 3.95Å; V429-F433 HydrophobicContact CG1-CE2 3.96Å; V429-F433 WeakPolarHBondContact O-CD2 3.37Å; V429-F433 PolarHBondContact O-N 3.29Å; V429-F433 VanDerWaalsContact O-N 3.08Å; E430-F433 PolarHBondContact O-N 2.74Å; D431-F433 PolarHBondContact O-N 3.15Å; F433-K442 HydrophobicContact CD1-CD 3.98Å; F433-K442 HydrophobicContact CE1-CB 4.43Å; F433-K442 HydrophobicContact CE1-CD 4.25Å; F433-K442 HydrophobicContact CG-CD 4.16Å; F433-K442 HydrophobicContact CZ-CB 4.32Å; F433-A444 HydrophobicContact CE2-CB 4.26Å; F433-F473 HydrophobicContact CB-CE1 4.42Å; F433-F473 HydrophobicContact CB-CZ 4.4Å; F433-F473 AromaticContact CD1-CE1 3.69Å; F433-F473 HydrophobicContact CD1-CE1 3.69Å; F433-F473 HydrophobicContact CD1-CZ 4.31Å; F433-F473 AromaticContact CD2-CE1 3.69Å; F433-F473 HydrophobicContact CD2-CE1 3.69Å; F433-F473 AromaticContact CD2-CZ 3.48Å; F433-F473 HydrophobicContact CD2-CZ 3.48Å; F433-F473 VanDerWaalsContact CD2-CZ 3.48Å; F433-F473 AromaticContact CE1-CE1 3.76Å; F433-F473 HydrophobicContact CE1-CE1 3.76Å; F433-F473 AromaticContact CE2-CE1 3.75Å; F433-F473 HydrophobicContact CE2-CE1 3.75Å; F433-F473 AromaticContact CE2-CZ 3.71Å; F433-F473 HydrophobicContact CE2-CZ 3.71Å; F433-F473 AromaticContact CG-CE1 3.66Å; F433-F473 HydrophobicContact CG-CE1 3.66Å; F433-F473 AromaticContact CG-CZ 3.8Å; F433-F473 HydrophobicContact CG-CZ 3.8Å; F433-F473 AromaticContact CZ-CE1 3.79Å; F433-F473 HydrophobicContact CZ-CE1 3.79Å; F433-F473 HydrophobicContact CZ-CZ 4.23Å; F433-F478 HydrophobicContact CB-CD1 4.27Å; F433-F478 HydrophobicContact CB-CD2 4.17Å; F433-F478 HydrophobicContact CB-CE1 4.11Å; F433-F478 HydrophobicContact CB-CE2 4.03Å; F433-F478 HydrophobicContact CB-CG 4.32Å; F433-F478 HydrophobicContact CB-CZ 4Å; F433-F478 HydrophobicContact CD1-CB 4.32Å; F433-F478 HydrophobicContact CD1-CD1 4.16Å; F433-F478 HydrophobicContact CD1-CG 4.22Å; F433-F478 WeakPolarHBondContact O-CE1 3.22Å; F433-T482 HydrophobicContact CE1-CG2 4.42Å; F433-T482 HydrophobicContact CZ-CG2 4.42Å
434	T	95.8	Very high	95.2	Very high	71 Å²	71	28.4 Å²	28.4	44%	0.436	14%	0.142	S	C	.	.	H	α-helix	trans	-82.8	-39.6	179.4	-55.9	0	0	0	0	113	E430 D431 F432	E430-T434 WeakPolarHBondContact O-CB 3.43Å; E430-T434 PolarHBondContact O-N 3.01Å; E430-T434 VanDerWaalsContact O-N 3.13Å; E430-T434 PolarHBondContact O-OG1 2.72Å; D431-T434 PolarHBondContact O-N 2.82Å; D431-T434 VanDerWaalsContact O-N 3.16Å; F432-T434 VanDerWaalsContact C-N 3.28Å; F432-T434 PolarHBondContact O-N 3.1Å
435	A	94	Very high	95.5	Very high	13 Å²	13	28 Å²	28	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-73.2	-31.3	-172	0	0	0	0	0	113.3	N189 I258 A260 D431	N189-A435 WeakPolarHBondContact OD1-CA 3.25Å; N189-A435 VanDerWaalsContact OD1-CB 3.28Å; N189-A435 WeakPolarHBondContact OD1-CB 3.29Å; I258-A435 HydrophobicContact CB-CB 4.05Å; I258-A435 HydrophobicContact CG2-CB 3.63Å; A260-A435 HydrophobicContact CB-CB 4.49Å; D431-A435 WeakPolarHBondContact O-CB 3.23Å; D431-A435 PolarHBondContact O-N 2.97Å
436	Y	94.2	Very high	95.6	Very high	10 Å²	10	28 Å²	28	4%	0.039	14%	0.14	C	C	.	.	S	Bend	trans	-91.1	145.1	177.4	-79.8	-84.6	0	0	0	112.3	I258 A260 K261 T263 A368 H395 F432 Q440	I258-Y436 HydrophobicContact CG2-CD2 4.48Å; I258-Y436 HydrophobicContact CG2-CE2 4.16Å; A260-Y436 HydrophobicContact CB-CD1 4.37Å; A260-Y436 HydrophobicContact CB-CE1 4.19Å; A260-Y436 HydrophobicContact CB-CE2 4.3Å; K261-Y436 PolarHBondContact N-OH 3.4Å; K261-Y436 WeakPolarHBondContact O-CE1 3.33Å; K261-Y436 PolarHBondContact O-OH 3.38Å; T263-Y436 HydrophobicContact CG2-CE1 4.13Å; A368-Y436 HydrophobicContact CB-CD1 4.33Å; A368-Y436 HydrophobicContact CB-CD2 4.49Å; A368-Y436 HydrophobicContact CB-CE1 4.04Å; A368-Y436 HydrophobicContact CB-CE2 4.23Å; H395-Y436 AromaticContact NE2-CE2 3.39Å; H395-Y436 WeakPolarHBondContact NE2-CE2 3.46Å; H395-Y436 AromaticContact NE2-CZ 3.68Å; H395-Y436 PolarHBondContact NE2-OH 2.97Å; H395-Y436 VanDerWaalsContact NE2-OH 3.11Å; F432-Y436 AromaticContact CD2-CD2 3.76Å; F432-Y436 HydrophobicContact CD2-CD2 3.76Å; F432-Y436 AromaticContact CD2-CE2 3.72Å; F432-Y436 HydrophobicContact CD2-CE2 3.72Å; F432-Y436 AromaticContact CE2-CD2 3.66Å; F432-Y436 HydrophobicContact CE2-CD2 3.66Å; F432-Y436 AromaticContact CE2-CE2 3.46Å; F432-Y436 HydrophobicContact CE2-CE2 3.46Å; F432-Y436 VanDerWaalsContact CE2-CE2 3.46Å; Y436-Q440 HydrophobicContact CD1-CG 3.83Å; Y436-Q440 HydrophobicContact CG-CG 4.42Å
437	P	91.7	Very high	95.5	Very high	89 Å²	89	27.8 Å²	27.8	58%	0.578	14%	0.139	S	C	*	.			trans	-54.3	150.9	174	-25.2	34	0	0	0	113.3	K439 Q440 K442	P437-K439 PolarHBondContact O-N 2.9Å; P437-Q440 WeakPolarHBondContact O-CB 3.45Å; P437-Q440 PolarHBondContact O-N 2.94Å; P437-Q440 VanDerWaalsContact O-N 3.1Å; P437-K442 PolarHBondContact O-NZ 2.65Å
438	R	90.7	Very high	95.4	Very high	111 Å²	111	27.9 Å²	27.9	42%	0.419	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.1	178.4	-71.7	-69.6	-177.4	131.9	4.2	114.1	R276 Q440 K476 E477 F478	R276-R438 PolarHBondContact NH1-O 3.35Å; R438-Q440 VanDerWaalsContact C-N 3.29Å; R438-Q440 PolarHBondContact O-N 3.28Å; R438-K476 PolarHBondContact NH1-O 2.89Å; R438-K476 PolarHBondContact NH2-O 3.07Å; R438-E477 PolarHBondContact NH1-O 3.21Å; R438-F478 VanDerWaalsContact CZ-CD1 3.47Å
439	K	89.1	Confident	95.1	Very high	189 Å²	189	28.1 Å²	28.1	82%	0.822	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.2	179.2	-66.3	-174.7	178	-178.2	0	113.3	P437 P441	P437-K439 PolarHBondContact O-N 2.9Å; K439-P441 WeakPolarHBondContact O-CD 3.4Å
440	Q	92.5	Very high	94.5	Very high	34 Å²	34	29 Å²	29	16%	0.159	15%	0.145	C	C	.	.	S	Bend	trans	-82.2	115.8	-177.3	177.1	55.9	50.4	0	0	109.8	T263 G366 A368 Y436 P437 R438 K442	T263-Q440 PolarHBondContact OG1-OE1 2.02Å; T263-Q440 VanDerWaalsContact OG1-OE1 3.14Å; G366-Q440 PolarHBondContact O-NE2 2.8Å; A368-Q440 HydrophobicContact CB-CG 4.39Å; Y436-Q440 HydrophobicContact CD1-CG 3.83Å; Y436-Q440 HydrophobicContact CG-CG 4.42Å; P437-Q440 WeakPolarHBondContact O-CB 3.45Å; P437-Q440 PolarHBondContact O-N 2.94Å; P437-Q440 VanDerWaalsContact O-N 3.1Å; R438-Q440 VanDerWaalsContact C-N 3.29Å; R438-Q440 PolarHBondContact O-N 3.28Å; Q440-K442 WeakPolarHBondContact O-CG 3.38Å; Q440-K442 PolarHBondContact O-NZ 3.15Å
441	P	95.4	Very high	93.8	Very high	16 Å²	16	28.5 Å²	28.5	10%	0.104	14%	0.142	C	C	.	.			trans	-67.6	145.6	178.2	27.3	-33.9	0	0	0	111.6	P277 N279 Y367 A368 K439	P277-P441 HydrophobicContact CB-CB 3.94Å; P277-P441 HydrophobicContact CB-CG 4.28Å; P277-P441 HydrophobicContact CG-CB 4.42Å; P277-P441 HydrophobicContact CG-CG 4.23Å; N279-P441 WeakPolarHBondContact OD1-CA 3.18Å; Y367-P441 WeakPolarHBondContact CA-O 3.38Å; Y367-P441 HydrophobicContact CD1-CB 3.92Å; Y367-P441 HydrophobicContact CD2-CB 4.11Å; Y367-P441 HydrophobicContact CD2-CG 4.14Å; Y367-P441 HydrophobicContact CE1-CB 3.95Å; Y367-P441 HydrophobicContact CE2-CB 4.15Å; Y367-P441 HydrophobicContact CE2-CG 4.45Å; Y367-P441 HydrophobicContact CG-CB 4.01Å; Y367-P441 HydrophobicContact CG-CG 4.27Å; A368-P441 PolarHBondContact N-O 3.02Å; K439-P441 WeakPolarHBondContact O-CD 3.4Å
442	K	97.1	Very high	93.1	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.8	-171.4	-50.7	-171.7	-155.4	-36.2	0	111.4	N279 I280 A368 F432 F433 P437 Q440	N279-K442 CarbonylContact C-O 3.6Å; N279-K442 VanDerWaalsContact CA-O 3.29Å; N279-K442 WeakPolarHBondContact CA-O 3.39Å; N279-K442 HydrophobicContact CB-CB 4.46Å; N279-K442 PolarHBondContact OD1-N 3.13Å; I280-K442 PolarHBondContact N-O 3.3Å; A368-K442 WeakPolarHBondContact O-CA 3.4Å; F432-K442 HydrophobicContact CD1-CD 4.47Å; F432-K442 HydrophobicContact CE1-CB 3.73Å; F432-K442 HydrophobicContact CE1-CD 4.25Å; F432-K442 HydrophobicContact CE1-CG 4.32Å; F432-K442 HydrophobicContact CZ-CB 4.09Å; F432-K442 HydrophobicContact CZ-CG 4.43Å; F433-K442 HydrophobicContact CD1-CD 3.98Å; F433-K442 HydrophobicContact CE1-CB 4.43Å; F433-K442 HydrophobicContact CE1-CD 4.25Å; F433-K442 HydrophobicContact CG-CD 4.16Å; F433-K442 HydrophobicContact CZ-CB 4.32Å; P437-K442 PolarHBondContact O-NZ 2.65Å; Q440-K442 WeakPolarHBondContact O-CG 3.38Å; Q440-K442 PolarHBondContact O-NZ 3.15Å
443	F	98	Very high	92.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.3	169.8	172.1	-97.1	0	0	0	108.6	I280 I282 L331 I358 W359 L362 Y367 A368 T369 L370 F445	I280-F443 HydrophobicContact CB-CD2 3.89Å; I280-F443 HydrophobicContact CD1-CD2 4.48Å; I280-F443 HydrophobicContact CG2-CD2 3.74Å; I280-F443 HydrophobicContact CG2-CE2 3.97Å; I280-F443 CarbonylContact O-C 3.58Å; I280-F443 VanDerWaalsContact O-CA 3.3Å; I280-F443 WeakPolarHBondContact O-CA 3.18Å; I282-F443 HydrophobicContact CD1-CE2 4.24Å; L331-F443 HydrophobicContact CD2-CZ 4.42Å; I358-F443 HydrophobicContact CG2-CZ 4.46Å; W359-F443 HydrophobicContact CB-CD1 4.02Å; W359-F443 HydrophobicContact CB-CE1 3.91Å; W359-F443 HydrophobicContact CE3-CE1 4.03Å; W359-F443 HydrophobicContact CE3-CZ 4.44Å; L362-F443 HydrophobicContact CD1-CB 3.84Å; L362-F443 HydrophobicContact CD1-CD1 4.23Å; L362-F443 HydrophobicContact CD1-CD2 3.25Å; L362-F443 HydrophobicContact CD1-CE2 3.82Å; L362-F443 HydrophobicContact CD1-CG 3.49Å; L362-F443 VanDerWaalsContact CD1-CG 3.49Å; Y367-F443 HydrophobicContact CD1-CB 3.97Å; A368-F443 PolarHBondContact O-N 3.45Å; T369-F443 CarbonylContact C-O 3.58Å; T369-F443 WeakPolarHBondContact CA-O 3.4Å; T369-F443 HydrophobicContact CG2-CB 4.46Å; L370-F443 PolarHBondContact N-O 3.45Å; F443-F445 HydrophobicContact CE1-CB 4.16Å; F443-F445 HydrophobicContact CZ-CB 4.14Å; F443-F445 HydrophobicContact CZ-CD2 4.44Å
444	A	98.5	Very high	91.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.5	176.8	0	0	0	0	0	110.5	I280 Y281 I282 L370 V429 F432 F433	I280-A444 PolarHBondContact O-N 3.13Å; Y281-A444 CarbonylContact C-O 3.47Å; Y281-A444 WeakPolarHBondContact CA-O 3.49Å; Y281-A444 HydrophobicContact CD2-CB 3.69Å; Y281-A444 HydrophobicContact CE2-CB 4.34Å; Y281-A444 HydrophobicContact CG-CB 4.42Å; I282-A444 PolarHBondContact N-O 3.22Å; L370-A444 HydrophobicContact CB-CB 4.3Å; L370-A444 HydrophobicContact CD2-CB 4.29Å; V429-A444 HydrophobicContact CG1-CB 4.27Å; F432-A444 HydrophobicContact CD1-CB 4.23Å; F432-A444 HydrophobicContact CE1-CB 4.15Å; F433-A444 HydrophobicContact CE2-CB 4.26Å
445	F	98.2	Very high	90.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.4	171.2	-167	-74.6	0	0	0	109	I282 L327 L331 L370 Y371 A372 F443 F447 F487	I282-F445 HydrophobicContact CB-CD2 3.81Å; I282-F445 HydrophobicContact CB-CE2 4.21Å; I282-F445 HydrophobicContact CB-CG 4.43Å; I282-F445 HydrophobicContact CD1-CD2 3.93Å; I282-F445 HydrophobicContact CD1-CE2 4.24Å; I282-F445 HydrophobicContact CG1-CD2 4.39Å; I282-F445 HydrophobicContact CG2-CD2 3.87Å; I282-F445 HydrophobicContact CG2-CE2 3.74Å; I282-F445 HydrophobicContact CG2-CZ 4.42Å; I282-F445 CarbonylContact O-C 3.46Å; I282-F445 WeakPolarHBondContact O-CA 3.27Å; L327-F445 HydrophobicContact CD2-CE1 4.08Å; L327-F445 HydrophobicContact CD2-CZ 4.13Å; L327-F445 HydrophobicContact CG-CE1 4.5Å; L327-F445 HydrophobicContact CG-CZ 4.04Å; L331-F445 HydrophobicContact CD1-CE2 4.43Å; L331-F445 HydrophobicContact CD2-CD2 3.88Å; L331-F445 HydrophobicContact CD2-CE2 3.9Å; L331-F445 HydrophobicContact CG-CE2 4.37Å; L370-F445 PolarHBondContact O-N 2.85Å; Y371-F445 CarbonylContact C-O 3.46Å; Y371-F445 VanDerWaalsContact CA-O 3.29Å; Y371-F445 WeakPolarHBondContact CA-O 3.25Å; Y371-F445 HydrophobicContact CD2-CB 3.97Å; Y371-F445 AromaticContact CD2-CD1 3.68Å; Y371-F445 HydrophobicContact CD2-CD1 3.68Å; Y371-F445 HydrophobicContact CD2-CG 4.04Å; Y371-F445 AromaticContact CE2-CD1 3.5Å; Y371-F445 HydrophobicContact CE2-CD1 3.5Å; Y371-F445 VanDerWaalsContact CE2-CD1 3.5Å; Y371-F445 AromaticContact CE2-CE1 3.9Å; Y371-F445 HydrophobicContact CE2-CE1 3.9Å; Y371-F445 HydrophobicContact CE2-CG 4.23Å; A372-F445 PolarHBondContact N-O 3.18Å; F443-F445 HydrophobicContact CE1-CB 4.16Å; F443-F445 HydrophobicContact CZ-CB 4.14Å; F443-F445 HydrophobicContact CZ-CD2 4.44Å; F445-F447 HydrophobicContact CE1-CB 4.25Å; F445-F447 HydrophobicContact CE1-CD2 4.16Å; F445-F487 HydrophobicContact CE1-CE1 4.29Å; F445-F487 HydrophobicContact CE1-CZ 4.28Å; F445-F487 HydrophobicContact CE2-CE1 4.14Å; F445-F487 HydrophobicContact CE2-CZ 4.28Å; F445-F487 AromaticContact CZ-CE1 3.67Å; F445-F487 HydrophobicContact CZ-CE1 3.67Å; F445-F487 AromaticContact CZ-CZ 3.55Å; F445-F487 HydrophobicContact CZ-CZ 3.55Å
446	Q	96.6	Very high	89.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.8	-177.1	-176.9	-179.3	37.8	0	0	109.9	Y281 I282 L283 G284 A372 Q425 V429	Y281-Q446 HydrophobicContact CE2-CB 4.17Å; Y281-Q446 PolarHBondContact OH-OE1 2.88Å; I282-Q446 PolarHBondContact O-N 3.12Å; L283-Q446 CarbonylContact C-O 3.41Å; L283-Q446 HydrophobicContact CD1-CB 4.45Å; L283-Q446 HydrophobicContact CD1-CG 4.26Å; L283-Q446 VanDerWaalsContact CD1-OE1 3.31Å; G284-Q446 WeakPolarHBondContact CA-O 3.22Å; G284-Q446 PolarHBondContact N-O 3.02Å; A372-Q446 HydrophobicContact CB-CB 4.43Å; A372-Q446 HydrophobicContact CB-CG 4.26Å; A372-Q446 CarbonylContact O-C 3.55Å; A372-Q446 WeakPolarHBondContact O-CA 3.47Å; Q425-Q446 HydrophobicContact CG-CG 4.05Å; Q425-Q446 VanDerWaalsContact CG-NE2 3.33Å; Q425-Q446 PolarHBondContact O-NE2 3.08Å; V429-Q446 HydrophobicContact CG2-CB 4.35Å; V429-Q446 HydrophobicContact CG2-CG 4.42Å
447	F	94.9	Very high	89.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	121.2	-173	-156.7	-108.3	0	0	0	110.6	G284 D286 T323 L327 A372 E373 Q425 F445 F487 D489	G284-F447 WeakPolarHBondContact O-CA 3.22Å; D286-F447 HydrophobicContact CB-CD1 4.48Å; D286-F447 HydrophobicContact CB-CE1 3.46Å; D286-F447 VanDerWaalsContact CB-CE1 3.46Å; D286-F447 HydrophobicContact CB-CZ 3.57Å; T323-F447 HydrophobicContact CG2-CE1 3.58Å; T323-F447 HydrophobicContact CG2-CZ 3.62Å; L327-F447 HydrophobicContact CD1-CE2 3.98Å; L327-F447 HydrophobicContact CD1-CZ 4.11Å; L327-F447 HydrophobicContact CD2-CD2 4.39Å; L327-F447 HydrophobicContact CD2-CE2 4.35Å; L327-F447 HydrophobicContact CD2-CZ 4.46Å; A372-F447 PolarHBondContact O-N 3.17Å; E373-F447 WeakPolarHBondContact CA-O 3.4Å; E373-F447 HydrophobicContact CB-CB 4.44Å; Q425-F447 PolarHBondContact NE2-O 3.39Å; F445-F447 HydrophobicContact CE1-CB 4.25Å; F445-F447 HydrophobicContact CE1-CD2 4.16Å; F447-F487 HydrophobicContact CD2-CE1 4.19Å; F447-F487 AromaticContact CD2-CZ 3.8Å; F447-F487 HydrophobicContact CD2-CZ 3.8Å; F447-F487 HydrophobicContact CE2-CE1 4.35Å; F447-F487 HydrophobicContact CE2-CE2 4.14Å; F447-F487 AromaticContact CE2-CZ 3.61Å; F447-F487 HydrophobicContact CE2-CZ 3.61Å; F447-D489 HydrophobicContact CE2-CB 4.22Å; F447-D489 HydrophobicContact CZ-CB 3.83Å
448	H	93.7	Very high	89.7	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.046	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.5	-178.8	-68.3	-93.3	0	0	0	110.5	G284 F285 D286 Q425 S452	G284-H448 PolarHBondContact O-N 3.43Å; F285-H448 CarbonylContact C-O 3.48Å; F285-H448 WeakPolarHBondContact CA-O 3.38Å; F285-H448 HydrophobicContact CD1-CB 3.93Å; F285-H448 HydrophobicContact CE1-CB 4.29Å; D286-H448 PolarHBondContact N-O 3Å; Q425-H448 VanDerWaalsContact CG-CE1 3.42Å; Q425-H448 WeakPolarHBondContact CG-CE1 3.5Å; Q425-H448 PolarHBondContact OE1-CE1 3.4Å; Q425-H448 VanDerWaalsContact OE1-CE1 3.28Å; Q425-H448 PolarHBondContact OE1-ND1 3Å; H448-S452 PolarHBondContact O-OG 2.93Å; H448-S452 VanDerWaalsContact O-OG 3.06Å
449	S	89.7	Confident	89.7	Confident	7 Å²	7	28.1 Å²	28.1	5%	0.049	15%	0.146	C	C	.	.			trans	-123.4	-32.5	-179.5	-65.8	0	0	0	0	112.9	D286 D374 F451 S452 H453	D286-S449 PolarHBondContact OD2-OG 2.69Å; D374-S449 WeakPolarHBondContact OD1-CB 3.34Å; D374-S449 PolarHBondContact OD1-N 3.08Å; D374-S449 PolarHBondContact OD2-N 2.89Å; S449-F451 PolarHBondContact O-N 3.48Å; S449-S452 PolarHBondContact O-N 2.8Å; S449-H453 WeakPolarHBondContact O-CB 3.46Å; S449-H453 PolarHBondContact O-N 3.39Å
450	I	85.9	Confident	89.9	Confident	17 Å²	17	21 Å²	21	9%	0.087	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-51.7	-167.8	-73.6	173.8	0	0	0	113.3	D374 D412 Q421	D374-I450 HydrophobicContact CB-CD1 3.82Å; D374-I450 HydrophobicContact CB-CG1 4.18Å; D374-I450 PolarHBondContact OD1-N 3.1Å; D374-I450 PolarHBondContact OD2-N 3.37Å; D412-I450 HydrophobicContact CB-CD1 4.5Å; D412-I450 HydrophobicContact CB-CG1 4.3Å; D412-I450 HydrophobicContact CB-CG2 3.93Å; Q421-I450 HydrophobicContact CG-CD1 4.08Å
451	F	82.9	Confident	89.9	Confident	24 Å²	24	20.8 Å²	20.8	11%	0.105	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-1.7	-176.9	-65.5	-73.6	0	0	0	114.2	L176 A414 Q421 S449 E458 V459 L461	L176-F451 HydrophobicContact CD2-CE1 4.46Å; L176-F451 HydrophobicContact CD2-CZ 3.94Å; A414-F451 HydrophobicContact CB-CE1 4.24Å; A414-F451 HydrophobicContact CB-CZ 3.76Å; Q421-F451 HydrophobicContact CB-CE2 4.24Å; S449-F451 PolarHBondContact O-N 3.48Å; F451-E458 HydrophobicContact CB-CB 4.46Å; F451-E458 CarbonylContact O-C 3.6Å; F451-E458 VanDerWaalsContact O-CB 3.29Å; F451-E458 WeakPolarHBondContact O-CB 3.4Å; F451-V459 PolarHBondContact O-N 2.7Å; F451-V459 VanDerWaalsContact O-N 3.08Å; F451-L461 HydrophobicContact CD1-CD1 4.06Å; F451-L461 HydrophobicContact CE1-CD1 4.27Å
452	S	81.8	Confident	89.7	Confident	7 Å²	7	20.4 Å²	20.4	5%	0.049	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-23.4	-173.1	42.8	0	0	0	0	113.7	D286 S287 H448 S449	D286-S452 CarbonylContact O-C 3.58Å; D286-S452 WeakPolarHBondContact O-CA 3.07Å; D286-S452 WeakPolarHBondContact O-CB 3.11Å; D286-S452 PolarHBondContact O-OG 3.07Å; S287-S452 PolarHBondContact N-O 3.33Å; H448-S452 PolarHBondContact O-OG 2.93Å; H448-S452 VanDerWaalsContact O-OG 3.06Å; S449-S452 PolarHBondContact O-N 2.8Å
453	H	77.1	Confident	89.6	Confident	50 Å²	50	21.3 Å²	21.3	23%	0.231	12%	0.119	C	C	.	.	S	Bend	trans	-78.7	-45.7	-172.6	176	-83.7	0	0	0	112.2	D286 S449	D286-H453 VanDerWaalsContact O-CA 3.32Å; D286-H453 WeakPolarHBondContact O-CA 3.43Å; D286-H453 PolarHBondContact O-N 3.43Å; D286-H453 IonicContact OD1-CD2 3.96Å; D286-H453 PolarHBondContact OD1-CD2 3.49Å; D286-H453 IonicContact OD2-CD2 3.33Å; D286-H453 PolarHBondContact OD2-CD2 2.85Å; D286-H453 VanDerWaalsContact OD2-CD2 3.3Å; S449-H453 WeakPolarHBondContact O-CB 3.46Å; S449-H453 PolarHBondContact O-N 3.39Å
454	S	75.5	Confident	89.4	Confident	99 Å²	99	23.1 Å²	23.1	69%	0.692	14%	0.137	S	C	*	.	S	Bend	trans	-89.1	-26.6	-174.5	-63.5	0	0	0	0	113.7
455	S	79.9	Confident	89.2	Confident	27 Å²	27	23.7 Å²	23.7	19%	0.189	14%	0.141	C	C	.	.			trans	-139.3	117.4	-176.6	179.2	0	0	0	0	110.9	N457 E458	S455-N457 PolarHBondContact O-N 2.87Å; S455-N457 PolarHBondContact OG-N 2.73Å; S455-E458 PolarHBondContact O-N 3Å; S455-E458 PolarHBondContact OG-N 3.36Å
456	L	84.7	Confident	89.1	Confident	27 Å²	27	23.8 Å²	23.8	14%	0.141	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.7	174	70.1	97.6	0	0	0	113.1	I170 T292 V459 V497	I170-L456 HydrophobicContact CD1-CD1 3.31Å; T292-L456 HydrophobicContact CG2-CB 4.36Å; L456-V459 WeakPolarHBondContact O-CG1 3.11Å; L456-V497 HydrophobicContact CD2-CB 4.14Å; L456-V497 HydrophobicContact CD2-CG2 3.42Å; L456-V497 VanDerWaalsContact CD2-CG2 3.42Å
457	N	90.3	Very high	89.2	Confident	7 Å²	7	24.7 Å²	24.7	4%	0.037	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-32	-177.7	-69.7	-58	0	0	0	111.8	L169 H171 V173 K296 S455 V459 E460	L169-N457 PolarHBondContact O-ND2 3.2Å; L169-N457 VanDerWaalsContact O-ND2 3.15Å; H171-N457 PolarHBondContact CE1-ND2 3.37Å; H171-N457 PolarHBondContact N-OD1 3.17Å; H171-N457 VanDerWaalsContact N-OD1 3.1Å; H171-N457 PolarHBondContact ND1-ND2 2.81Å; H171-N457 VanDerWaalsContact O-CG 3.32Å; H171-N457 PolarHBondContact O-OD1 3.13Å; H171-N457 VanDerWaalsContact O-OD1 3.05Å; V173-N457 HydrophobicContact CG2-CB 3.7Å; V173-N457 WeakPolarHBondContact CG2-O 3.33Å; K296-N457 WeakPolarHBondContact CE-OD1 3.22Å; K296-N457 PolarHBondContact NZ-OD1 2.84Å; S455-N457 PolarHBondContact O-N 2.87Å; S455-N457 PolarHBondContact OG-N 2.73Å; N457-V459 VanDerWaalsContact C-N 3.26Å; N457-V459 PolarHBondContact O-N 2.91Å; N457-E460 WeakPolarHBondContact O-CG 3.36Å; N457-E460 PolarHBondContact O-N 3.39Å
458	E	90.1	Very high	89.3	Confident	71 Å²	71	29.1 Å²	29.1	33%	0.332	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-70	-20.4	-176.6	-75.4	170.6	-161.8	0	0	113.8	V173 F451 S455 E460 L461	V173-E458 HydrophobicContact CG1-CG 4.28Å; V173-E458 HydrophobicContact CG2-CG 4.3Å; F451-E458 HydrophobicContact CB-CB 4.46Å; F451-E458 CarbonylContact O-C 3.6Å; F451-E458 VanDerWaalsContact O-CB 3.29Å; F451-E458 WeakPolarHBondContact O-CB 3.4Å; S455-E458 PolarHBondContact O-N 3Å; S455-E458 PolarHBondContact OG-N 3.36Å; E458-E460 PolarHBondContact O-N 2.85Å; E458-L461 VanDerWaalsContact O-CB 3.29Å; E458-L461 WeakPolarHBondContact O-CB 3.5Å; E458-L461 VanDerWaalsContact O-CG 3.27Å; E458-L461 WeakPolarHBondContact O-CG 3.26Å; E458-L461 PolarHBondContact O-N 2.97Å
459	V	92.1	Very high	89.5	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-60.1	-21	176.7	75.4	0	0	0	0	113	F285 V288 K296 L297 F451 L456 N457 L461 A462	F285-V459 HydrophobicContact CD1-CG2 4.38Å; V288-V459 HydrophobicContact CG2-CG2 3.97Å; K296-V459 HydrophobicContact CB-CG1 3.54Å; K296-V459 HydrophobicContact CG-CG1 4.09Å; L297-V459 HydrophobicContact CD1-CB 4.36Å; L297-V459 HydrophobicContact CD1-CG1 3.81Å; L297-V459 HydrophobicContact CD1-CG2 3.7Å; F451-V459 PolarHBondContact O-N 2.7Å; F451-V459 VanDerWaalsContact O-N 3.08Å; L456-V459 WeakPolarHBondContact O-CG1 3.11Å; N457-V459 VanDerWaalsContact C-N 3.26Å; N457-V459 PolarHBondContact O-N 2.91Å; V459-L461 PolarHBondContact O-N 3.06Å; V459-L461 VanDerWaalsContact O-N 3.16Å; V459-A462 WeakPolarHBondContact O-CB 3.22Å; V459-A462 PolarHBondContact O-N 3.49Å
460	E	93.4	Very high	89.8	Confident	41 Å²	41	28.3 Å²	28.3	19%	0.192	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.1	175	73.8	-173.7	-139.7	0	0	113.5	S172 V173 K296 N457 E458 A462 D463	S172-E460 WeakPolarHBondContact CA-OE1 3.37Å; V173-E460 WeakPolarHBondContact CA-OE1 3.13Å; V173-E460 HydrophobicContact CB-CG 4.37Å; V173-E460 PolarHBondContact N-OE1 2.81Å; K296-E460 HydrophobicContact CB-CB 4.35Å; K296-E460 HydrophobicContact CD-CB 3.99Å; K296-E460 WeakPolarHBondContact CD-OE2 3.45Å; K296-E460 IonicContact NZ-OE2 3.54Å; K296-E460 PolarHBondContact NZ-OE2 3.22Å; K296-E460 WeakPolarHBondContact O-CA 3.42Å; N457-E460 WeakPolarHBondContact O-CG 3.36Å; N457-E460 PolarHBondContact O-N 3.39Å; E458-E460 PolarHBondContact O-N 2.85Å; E460-A462 PolarHBondContact O-N 2.71Å; E460-D463 WeakPolarHBondContact O-CB 3.49Å; E460-D463 PolarHBondContact O-N 3.33Å
461	L	91.8	Very high	90.4	Very high	29 Å²	29	31.9 Å²	31.9	15%	0.152	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-63.7	-20.8	175	-62.2	174.9	0	0	0	112.6	L176 H422 F451 E458 V459	L176-L461 HydrophobicContact CB-CD1 4.31Å; L176-L461 HydrophobicContact CB-CD2 4.41Å; H422-L461 PolarHBondContact CE1-O 3.39Å; F451-L461 HydrophobicContact CD1-CD1 4.06Å; F451-L461 HydrophobicContact CE1-CD1 4.27Å; E458-L461 VanDerWaalsContact O-CB 3.29Å; E458-L461 WeakPolarHBondContact O-CB 3.5Å; E458-L461 VanDerWaalsContact O-CG 3.27Å; E458-L461 WeakPolarHBondContact O-CG 3.26Å; E458-L461 PolarHBondContact O-N 2.97Å; V459-L461 PolarHBondContact O-N 3.06Å; V459-L461 VanDerWaalsContact O-N 3.16Å
462	A	92.3	Very high	91.1	Very high	8 Å²	8	32.5 Å²	32.5	7%	0.066	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-89.4	-10	178.5	0	0	0	0	0	113.9	F285 V459 E460 T466	F285-A462 HydrophobicContact CE1-CB 4.32Å; V459-A462 WeakPolarHBondContact O-CB 3.22Å; V459-A462 PolarHBondContact O-N 3.49Å; E460-A462 PolarHBondContact O-N 2.71Å; A462-T466 VanDerWaalsContact O-CB 3.28Å; A462-T466 WeakPolarHBondContact O-CB 3.46Å; A462-T466 PolarHBondContact O-N 2.9Å; A462-T466 PolarHBondContact O-OG1 3.48Å
463	D	94.5	Very high	91.9	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-58.1	-170.6	-165.6	20.3	0	0	0	112.5	L297 K298 E299 T300 E460 T466 V467	L297-D463 VanDerWaalsContact CA-CG 3.41Å; L297-D463 VanDerWaalsContact CA-OD1 3.27Å; L297-D463 WeakPolarHBondContact CA-OD1 3.33Å; K298-D463 PolarHBondContact N-OD1 2.79Å; K298-D463 PolarHBondContact N-OD2 3.41Å; E299-D463 PolarHBondContact N-OD1 3.11Å; E299-D463 PolarHBondContact N-OD2 3.33Å; T300-D463 VanDerWaalsContact CB-OD1 3.26Å; T300-D463 WeakPolarHBondContact CB-OD1 3.27Å; T300-D463 PolarHBondContact N-OD1 2.65Å; T300-D463 PolarHBondContact OG1-O 3.49Å; T300-D463 VanDerWaalsContact OG1-O 3.13Å; T300-D463 PolarHBondContact OG1-OD1 3.16Å; E460-D463 WeakPolarHBondContact O-CB 3.49Å; E460-D463 PolarHBondContact O-N 3.33Å; D463-T466 PolarHBondContact O-N 3.32Å; D463-V467 WeakPolarHBondContact O-CG2 3.26Å; D463-V467 PolarHBondContact O-N 3.4Å
464	G	93.8	Very high	92.8	Very high	37 Å²	37	33.7 Å²	33.7	38%	0.381	19%	0.186	S	C	.	.	H	α-helix	trans	-56.6	-52.9	178	0	0	0	0	0	113.8	T466 V467 E468	G464-T466 VanDerWaalsContact C-N 3.29Å; G464-T466 PolarHBondContact O-N 3.42Å; G464-V467 WeakPolarHBondContact O-CB 3.28Å; G464-V467 PolarHBondContact O-N 2.91Å; G464-V467 VanDerWaalsContact O-N 3.12Å; G464-E468 PolarHBondContact O-N 2.66Å
465	P	94.2	Very high	93.8	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-55.4	-38.9	175.4	-24.3	29.5	0	0	0	114.1	H422 R423 L426 E468 H469	H422-P465 VanDerWaalsContact CD2-CB 3.45Å; H422-P465 WeakPolarHBondContact CD2-CB 3.43Å; H422-P465 WeakPolarHBondContact CD2-CG 3.33Å; H422-P465 WeakPolarHBondContact NE2-CG 3.15Å; R423-P465 HydrophobicContact CG-CB 4.12Å; R423-P465 HydrophobicContact CG-CG 4.41Å; L426-P465 HydrophobicContact CD1-CB 3.91Å; P465-E468 PolarHBondContact O-N 3.24Å; P465-H469 WeakPolarHBondContact O-CB 3.43Å; P465-H469 PolarHBondContact O-N 3.44Å
466	T	96.1	Very high	94.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-36.9	177.9	-54.4	0	0	0	0	111.1	L283 F285 T300 A462 D463 G464 H469 L470	L283-T466 HydrophobicContact CD2-CG2 3.97Å; F285-T466 HydrophobicContact CZ-CG2 4.43Å; T300-T466 HydrophobicContact CG2-CG2 3.58Å; A462-T466 VanDerWaalsContact O-CB 3.28Å; A462-T466 WeakPolarHBondContact O-CB 3.46Å; A462-T466 PolarHBondContact O-N 2.9Å; A462-T466 PolarHBondContact O-OG1 3.48Å; D463-T466 PolarHBondContact O-N 3.32Å; G464-T466 VanDerWaalsContact C-N 3.29Å; G464-T466 PolarHBondContact O-N 3.42Å; T466-H469 WeakPolarHBondContact O-CB 3.42Å; T466-H469 PolarHBondContact O-N 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.43Å; T466-L470 PolarHBondContact O-N 3.36Å
467	V	97.4	Very high	95.2	Very high	19 Å²	19	44.3 Å²	44.3	12%	0.115	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-44.4	173.2	173.6	0	0	0	0	111.7	E299 T300 D463 G464 H469 L470 K471	E299-V467 VanDerWaalsContact C-CG2 3.45Å; E299-V467 HydrophobicContact CB-CG2 3.78Å; T300-V467 VanDerWaalsContact N-CG2 3.34Å; D463-V467 WeakPolarHBondContact O-CG2 3.26Å; D463-V467 PolarHBondContact O-N 3.4Å; G464-V467 WeakPolarHBondContact O-CB 3.28Å; G464-V467 PolarHBondContact O-N 2.91Å; G464-V467 VanDerWaalsContact O-N 3.12Å; V467-H469 VanDerWaalsContact C-N 3.26Å; V467-H469 PolarHBondContact O-N 3.16Å; V467-L470 PolarHBondContact O-N 2.91Å; V467-K471 HydrophobicContact CG1-CD 4.39Å; V467-K471 WeakPolarHBondContact O-CG 3.3Å; V467-K471 PolarHBondContact O-N 3.44Å
468	E	97.2	Very high	95.5	Very high	92 Å²	92	44.4 Å²	44.4	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-59.4	-40.7	175.8	-69.1	171.6	-152.3	0	0	111.3	R423 G464 P465 K471 F472	R423-E468 IonicContact CZ-OE1 2.86Å; R423-E468 IonicContact CZ-OE2 2.76Å; R423-E468 VanDerWaalsContact CZ-OE2 3.27Å; R423-E468 IonicContact NH1-OE1 2.77Å; R423-E468 IonicContact NH1-OE2 2.75Å; R423-E468 PolarHBondContact NH1-OE2 2.96Å; R423-E468 VanDerWaalsContact NH2-CD 3.3Å; R423-E468 IonicContact NH2-OE1 3.03Å; R423-E468 PolarHBondContact NH2-OE1 2.7Å; R423-E468 IonicContact NH2-OE2 3.34Å; R423-E468 PolarHBondContact NH2-OE2 3.48Å; G464-E468 PolarHBondContact O-N 2.66Å; P465-E468 PolarHBondContact O-N 3.24Å; E468-K471 PolarHBondContact O-N 3.34Å; E468-F472 PolarHBondContact O-N 2.79Å
469	H	97.7	Very high	95.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-45	175.6	-169.8	69	0	0	0	112.7	Y281 L426 E430 P465 T466 V467 K471 F472 F473	Y281-H469 AromaticContact CE1-NE2 3.48Å; Y281-H469 WeakPolarHBondContact CE1-NE2 3.22Å; Y281-H469 AromaticContact CZ-NE2 3.61Å; Y281-H469 PolarHBondContact OH-NE2 3.26Å; L426-H469 HydrophobicContact CB-CB 4.48Å; L426-H469 HydrophobicContact CD1-CB 4.27Å; L426-H469 HydrophobicContact CD2-CB 4.09Å; L426-H469 PolarHBondContact O-CE1 2.81Å; E430-H469 WeakPolarHBondContact CG-CE1 3.35Å; E430-H469 WeakPolarHBondContact CG-ND1 3.46Å; E430-H469 IonicContact OE1-CE1 3.45Å; E430-H469 IonicContact OE1-CG 3.99Å; E430-H469 IonicContact OE1-ND1 2.89Å; E430-H469 PolarHBondContact OE1-ND1 3.32Å; P465-H469 WeakPolarHBondContact O-CB 3.43Å; P465-H469 PolarHBondContact O-N 3.44Å; T466-H469 WeakPolarHBondContact O-CB 3.42Å; T466-H469 PolarHBondContact O-N 3.3Å; V467-H469 VanDerWaalsContact C-N 3.26Å; V467-H469 PolarHBondContact O-N 3.16Å; H469-K471 VanDerWaalsContact C-N 3.33Å; H469-K471 PolarHBondContact O-N 2.85Å; H469-F472 WeakPolarHBondContact O-CB 3.44Å; H469-F472 PolarHBondContact O-N 3.34Å; H469-F473 AromaticContact CE1-CE2 3.56Å; H469-F473 AromaticContact NE2-CD2 3.99Å; H469-F473 AromaticContact NE2-CE2 3.41Å; H469-F473 WeakPolarHBondContact NE2-CE2 2.91Å; H469-F473 WeakPolarHBondContact O-CD2 3.4Å; H469-F473 PolarHBondContact O-N 2.83Å
470	L	97.8	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-41.2	175.6	-68.3	175.1	0	0	0	112	T300 H303 I304 L308 T466 V467 F473 Q474 F484	T300-L470 HydrophobicContact CG2-CD1 4.08Å; H303-L470 HydrophobicContact CB-CD1 4.43Å; I304-L470 HydrophobicContact CD1-CD1 4.32Å; I304-L470 HydrophobicContact CG1-CD1 3.7Å; L308-L470 HydrophobicContact CD1-CB 4.29Å; L308-L470 HydrophobicContact CD1-CD2 4.15Å; T466-L470 WeakPolarHBondContact O-CG 3.43Å; T466-L470 PolarHBondContact O-N 3.36Å; V467-L470 PolarHBondContact O-N 2.91Å; L470-F473 PolarHBondContact O-N 2.93Å; L470-Q474 PolarHBondContact O-N 3.17Å; L470-Q474 VanDerWaalsContact O-N 3.12Å; L470-F484 HydrophobicContact CD2-CD1 4.25Å; L470-F484 HydrophobicContact CD2-CE1 3.41Å; L470-F484 VanDerWaalsContact CD2-CE1 3.41Å; L470-F484 HydrophobicContact CD2-CZ 3.68Å
471	K	97.9	Very high	96.1	Very high	91 Å²	91	43.4 Å²	43.4	40%	0.396	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-41.4	175.3	-73.6	177.3	178	-179.2	0	112.1	V467 E468 H469 F473 Q474 E475	V467-K471 HydrophobicContact CG1-CD 4.39Å; V467-K471 WeakPolarHBondContact O-CG 3.3Å; V467-K471 PolarHBondContact O-N 3.44Å; E468-K471 PolarHBondContact O-N 3.34Å; H469-K471 VanDerWaalsContact C-N 3.33Å; H469-K471 PolarHBondContact O-N 2.85Å; K471-F473 VanDerWaalsContact C-N 3.3Å; K471-F473 PolarHBondContact O-N 3.4Å; K471-Q474 CarbonylContact O-C 3.47Å; K471-Q474 WeakPolarHBondContact O-CB 3.38Å; K471-Q474 PolarHBondContact O-N 3.16Å; K471-Q474 VanDerWaalsContact O-N 3.08Å; K471-E475 WeakPolarHBondContact O-CB 3.4Å; K471-E475 WeakPolarHBondContact O-CG 3.48Å; K471-E475 PolarHBondContact O-N 3.2Å
472	F	98	Very high	96.4	Very high	38 Å²	38	42 Å²	42	17%	0.167	21%	0.21	C	C	.	.	H	α-helix	trans	-55.1	-46.5	175.1	169.3	-90.6	0	0	0	111.6	E430 E468 H469 Q474 K476 F478	E430-F472 HydrophobicContact CB-CD1 3.95Å; E430-F472 HydrophobicContact CB-CE1 3.53Å; E430-F472 HydrophobicContact CB-CE2 4.33Å; E430-F472 HydrophobicContact CB-CZ 3.73Å; E430-F472 HydrophobicContact CG-CD1 3.63Å; E430-F472 HydrophobicContact CG-CE1 3.76Å; E430-F472 HydrophobicContact CG-CG 4.08Å; E430-F472 HydrophobicContact CG-CZ 4.3Å; E468-F472 PolarHBondContact O-N 2.79Å; H469-F472 WeakPolarHBondContact O-CB 3.44Å; H469-F472 PolarHBondContact O-N 3.34Å; F472-Q474 VanDerWaalsContact C-N 3.29Å; F472-Q474 PolarHBondContact O-N 2.89Å; F472-K476 HydrophobicContact CD2-CG 3.97Å; F472-K476 HydrophobicContact CE1-CG 4.47Å; F472-K476 HydrophobicContact CE2-CG 3.74Å; F472-K476 HydrophobicContact CG-CG 4.45Å; F472-K476 HydrophobicContact CZ-CG 4.01Å; F472-K476 VanDerWaalsContact O-CB 3.26Å; F472-K476 WeakPolarHBondContact O-CB 3.28Å; F472-K476 VanDerWaalsContact O-CG 3.3Å; F472-K476 WeakPolarHBondContact O-CG 3.49Å; F472-K476 PolarHBondContact O-N 2.91Å; F472-F478 HydrophobicContact CD1-CD2 4.44Å; F472-F478 HydrophobicContact CD1-CE2 4.49Å; F472-F478 AromaticContact CE1-CD2 3.84Å; F472-F478 HydrophobicContact CE1-CD2 3.84Å; F472-F478 AromaticContact CE1-CE2 3.55Å; F472-F478 HydrophobicContact CE1-CE2 3.55Å; F472-F478 HydrophobicContact CZ-CD2 4.41Å; F472-F478 AromaticContact CZ-CE2 3.7Å; F472-F478 HydrophobicContact CZ-CE2 3.7Å
473	F	97.9	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-34.9	177.2	-89.1	-96.6	0	0	0	113.2	Y281 V429 F433 H469 L470 K471 E477 F478 L479	Y281-F473 HydrophobicContact CD1-CE1 4.06Å; Y281-F473 HydrophobicContact CD1-CE2 4.28Å; Y281-F473 AromaticContact CD1-CZ 3.79Å; Y281-F473 HydrophobicContact CD1-CZ 3.79Å; Y281-F473 AromaticContact CE1-CE2 3.93Å; Y281-F473 HydrophobicContact CE1-CE2 3.93Å; Y281-F473 AromaticContact CE1-CZ 3.85Å; Y281-F473 HydrophobicContact CE1-CZ 3.85Å; V429-F473 HydrophobicContact CG1-CZ 4.12Å; F433-F473 HydrophobicContact CB-CE1 4.42Å; F433-F473 HydrophobicContact CB-CZ 4.4Å; F433-F473 AromaticContact CD1-CE1 3.69Å; F433-F473 HydrophobicContact CD1-CE1 3.69Å; F433-F473 HydrophobicContact CD1-CZ 4.31Å; F433-F473 AromaticContact CD2-CE1 3.69Å; F433-F473 HydrophobicContact CD2-CE1 3.69Å; F433-F473 AromaticContact CD2-CZ 3.48Å; F433-F473 HydrophobicContact CD2-CZ 3.48Å; F433-F473 VanDerWaalsContact CD2-CZ 3.48Å; F433-F473 AromaticContact CE1-CE1 3.76Å; F433-F473 HydrophobicContact CE1-CE1 3.76Å; F433-F473 AromaticContact CE2-CE1 3.75Å; F433-F473 HydrophobicContact CE2-CE1 3.75Å; F433-F473 AromaticContact CE2-CZ 3.71Å; F433-F473 HydrophobicContact CE2-CZ 3.71Å; F433-F473 AromaticContact CG-CE1 3.66Å; F433-F473 HydrophobicContact CG-CE1 3.66Å; F433-F473 AromaticContact CG-CZ 3.8Å; F433-F473 HydrophobicContact CG-CZ 3.8Å; F433-F473 AromaticContact CZ-CE1 3.79Å; F433-F473 HydrophobicContact CZ-CE1 3.79Å; F433-F473 HydrophobicContact CZ-CZ 4.23Å; H469-F473 AromaticContact CE1-CE2 3.56Å; H469-F473 AromaticContact NE2-CD2 3.99Å; H469-F473 AromaticContact NE2-CE2 3.41Å; H469-F473 WeakPolarHBondContact NE2-CE2 2.91Å; H469-F473 WeakPolarHBondContact O-CD2 3.4Å; H469-F473 PolarHBondContact O-N 2.83Å; L470-F473 PolarHBondContact O-N 2.93Å; K471-F473 VanDerWaalsContact C-N 3.3Å; K471-F473 PolarHBondContact O-N 3.4Å; F473-E477 PolarHBondContact O-N 2.92Å; F473-F478 HydrophobicContact CD1-CB 3.53Å; F473-F478 HydrophobicContact CD1-CD2 4.35Å; F473-F478 HydrophobicContact CD1-CG 4.34Å; F473-F478 HydrophobicContact CE1-CB 4.08Å; F473-F478 HydrophobicContact CG-CB 4.31Å; F473-F478 PolarHBondContact O-N 2.82Å; F473-L479 HydrophobicContact CB-CD2 3.93Å; F473-L479 HydrophobicContact CB-CG 4.06Å; F473-L479 HydrophobicContact CD1-CD2 4.42Å; F473-L479 PolarHBondContact O-N 2.91Å
474	Q	95.8	Very high	96.9	Very high	82 Å²	82	40.7 Å²	40.7	38%	0.383	20%	0.202	S	C	.	.	H	α-helix	trans	-70.9	-53.6	176.4	-173.7	178.8	13.2	0	0	111.9	L308 L470 K471 F472 K476 E477 L479	L308-Q474 HydrophobicContact CD2-CB 4.48Å; L308-Q474 HydrophobicContact CD2-CG 4.42Å; L470-Q474 PolarHBondContact O-N 3.17Å; L470-Q474 VanDerWaalsContact O-N 3.12Å; K471-Q474 CarbonylContact O-C 3.47Å; K471-Q474 WeakPolarHBondContact O-CB 3.38Å; K471-Q474 PolarHBondContact O-N 3.16Å; K471-Q474 VanDerWaalsContact O-N 3.08Å; F472-Q474 VanDerWaalsContact C-N 3.29Å; F472-Q474 PolarHBondContact O-N 2.89Å; Q474-K476 VanDerWaalsContact C-N 3.32Å; Q474-K476 PolarHBondContact O-N 2.88Å; Q474-E477 WeakPolarHBondContact O-CA 3.3Å; Q474-E477 PolarHBondContact O-N 2.87Å; Q474-L479 HydrophobicContact CB-CD1 4.06Å
475	E	97.2	Very high	97.1	Very high	144 Å²	144	39.1 Å²	39.1	67%	0.673	19%	0.185	S	C	*	.	H	α-helix	trans	-65.8	-33.2	-176.4	-70.3	171	-169.9	0	0	112.6	K471	K471-E475 WeakPolarHBondContact O-CB 3.4Å; K471-E475 WeakPolarHBondContact O-CG 3.48Å; K471-E475 PolarHBondContact O-N 3.2Å
476	K	97	Very high	97.3	Very high	111 Å²	111	38.5 Å²	38.5	48%	0.483	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5	172.7	-61.5	-61.7	-175.8	-176.4	0	112.8	R438 F472 Q474 F478	R438-K476 PolarHBondContact NH1-O 2.89Å; R438-K476 PolarHBondContact NH2-O 3.07Å; F472-K476 HydrophobicContact CD2-CG 3.97Å; F472-K476 HydrophobicContact CE1-CG 4.47Å; F472-K476 HydrophobicContact CE2-CG 3.74Å; F472-K476 HydrophobicContact CG-CG 4.45Å; F472-K476 HydrophobicContact CZ-CG 4.01Å; F472-K476 VanDerWaalsContact O-CB 3.26Å; F472-K476 WeakPolarHBondContact O-CB 3.28Å; F472-K476 VanDerWaalsContact O-CG 3.3Å; F472-K476 WeakPolarHBondContact O-CG 3.49Å; F472-K476 PolarHBondContact O-N 2.91Å; Q474-K476 VanDerWaalsContact C-N 3.32Å; Q474-K476 PolarHBondContact O-N 2.88Å; K476-F478 HydrophobicContact CB-CD2 3.44Å; K476-F478 VanDerWaalsContact CB-CD2 3.44Å; K476-F478 HydrophobicContact CB-CE2 3.36Å; K476-F478 HydrophobicContact CB-CG 4.21Å; K476-F478 HydrophobicContact CB-CZ 4.11Å; K476-F478 HydrophobicContact CG-CD2 4.32Å; K476-F478 HydrophobicContact CG-CE2 3.92Å; K476-F478 PolarHBondContact O-N 2.85Å; K476-F478 VanDerWaalsContact O-N 3.1Å
477	E	96.3	Very high	97.3	Very high	121 Å²	121	38.5 Å²	38.5	57%	0.565	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	24.9	179	-54.7	-177.9	167.9	0	0	113.8	R438 F473 Q474 L479 N480	R438-E477 PolarHBondContact NH1-O 3.21Å; F473-E477 PolarHBondContact O-N 2.92Å; Q474-E477 WeakPolarHBondContact O-CA 3.3Å; Q474-E477 PolarHBondContact O-N 2.87Å; E477-L479 PolarHBondContact O-N 2.82Å; E477-N480 WeakPolarHBondContact O-CB 3.25Å; E477-N480 PolarHBondContact O-N 2.83Å
478	F	97.5	Very high	97.3	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-72.1	-21.9	176.3	-69.4	-53.1	0	0	0	111.8	F433 R438 F472 F473 K476 N480 T482	F433-F478 HydrophobicContact CB-CD1 4.27Å; F433-F478 HydrophobicContact CB-CD2 4.17Å; F433-F478 HydrophobicContact CB-CE1 4.11Å; F433-F478 HydrophobicContact CB-CE2 4.03Å; F433-F478 HydrophobicContact CB-CG 4.32Å; F433-F478 HydrophobicContact CB-CZ 4Å; F433-F478 HydrophobicContact CD1-CB 4.32Å; F433-F478 HydrophobicContact CD1-CD1 4.16Å; F433-F478 HydrophobicContact CD1-CG 4.22Å; F433-F478 WeakPolarHBondContact O-CE1 3.22Å; R438-F478 VanDerWaalsContact CZ-CD1 3.47Å; F472-F478 HydrophobicContact CD1-CD2 4.44Å; F472-F478 HydrophobicContact CD1-CE2 4.49Å; F472-F478 AromaticContact CE1-CD2 3.84Å; F472-F478 HydrophobicContact CE1-CD2 3.84Å; F472-F478 AromaticContact CE1-CE2 3.55Å; F472-F478 HydrophobicContact CE1-CE2 3.55Å; F472-F478 HydrophobicContact CZ-CD2 4.41Å; F472-F478 AromaticContact CZ-CE2 3.7Å; F472-F478 HydrophobicContact CZ-CE2 3.7Å; F473-F478 HydrophobicContact CD1-CB 3.53Å; F473-F478 HydrophobicContact CD1-CD2 4.35Å; F473-F478 HydrophobicContact CD1-CG 4.34Å; F473-F478 HydrophobicContact CE1-CB 4.08Å; F473-F478 HydrophobicContact CG-CB 4.31Å; F473-F478 PolarHBondContact O-N 2.82Å; K476-F478 HydrophobicContact CB-CD2 3.44Å; K476-F478 VanDerWaalsContact CB-CD2 3.44Å; K476-F478 HydrophobicContact CB-CE2 3.36Å; K476-F478 HydrophobicContact CB-CG 4.21Å; K476-F478 HydrophobicContact CB-CZ 4.11Å; K476-F478 HydrophobicContact CG-CD2 4.32Å; K476-F478 HydrophobicContact CG-CE2 3.92Å; K476-F478 PolarHBondContact O-N 2.85Å; K476-F478 VanDerWaalsContact O-N 3.1Å; F478-N480 PolarHBondContact O-N 3.02Å; F478-T482 VanDerWaalsContact O-CB 3.32Å; F478-T482 WeakPolarHBondContact O-CB 3.36Å; F478-T482 PolarHBondContact O-OG1 2.95Å
479	L	96.9	Very high	97.1	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.084	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.8	-15.6	174.7	-60.9	-179.3	0	0	0	113.5	L308 F473 Q474 E477 D481 F484 P517	L308-L479 HydrophobicContact CD1-CD1 4.19Å; L308-L479 HydrophobicContact CD2-CD1 3.59Å; L308-L479 HydrophobicContact CG-CD1 4.47Å; F473-L479 HydrophobicContact CB-CD2 3.93Å; F473-L479 HydrophobicContact CB-CG 4.06Å; F473-L479 HydrophobicContact CD1-CD2 4.42Å; F473-L479 PolarHBondContact O-N 2.91Å; Q474-L479 HydrophobicContact CB-CD1 4.06Å; E477-L479 PolarHBondContact O-N 2.82Å; L479-D481 PolarHBondContact O-N 2.86Å; L479-F484 HydrophobicContact CD2-CD1 3.95Å; L479-P517 WeakPolarHBondContact O-CA 3.41Å
480	N	95.4	Very high	96.8	Very high	71 Å²	71	33.5 Å²	33.5	38%	0.38	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-66.9	-16.2	-179.6	-77.1	-16.1	0	0	0	113.8	E477 F478 W519	E477-N480 WeakPolarHBondContact O-CB 3.25Å; E477-N480 PolarHBondContact O-N 2.83Å; F478-N480 PolarHBondContact O-N 3.02Å; N480-W519 PolarHBondContact O-NE1 3Å
481	D	95.5	Very high	96.4	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-139.4	21.2	178.3	59.6	3.6	0	0	0	113	R276 N279 L479	R276-D481 IonicContact CZ-OD2 2.65Å; R276-D481 IonicContact NH1-OD2 3.94Å; R276-D481 PolarHBondContact NH1-OD2 2.9Å; R276-D481 VanDerWaalsContact NH1-OD2 3.15Å; R276-D481 IonicContact NH2-OD2 3.27Å; R276-D481 PolarHBondContact NH2-OD2 2.92Å; N279-D481 WeakPolarHBondContact CB-O 3.09Å; N279-D481 PolarHBondContact N-O 3.4Å; N279-D481 VanDerWaalsContact ND2-CG 3.27Å; N279-D481 PolarHBondContact ND2-OD1 2.89Å; L479-D481 PolarHBondContact O-N 2.86Å
482	T	98	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.4	-176.4	-55.6	0	0	0	0	112.4	N279 F433 F478 F484 P517	N279-T482 HydrophobicContact CB-CG2 4.04Å; N279-T482 WeakPolarHBondContact CB-OG1 3.37Å; N279-T482 CarbonylContact O-C 3.56Å; N279-T482 WeakPolarHBondContact O-CA 3.46Å; F433-T482 HydrophobicContact CE1-CG2 4.42Å; F433-T482 HydrophobicContact CZ-CG2 4.42Å; F478-T482 VanDerWaalsContact O-CB 3.32Å; F478-T482 WeakPolarHBondContact O-CB 3.36Å; F478-T482 PolarHBondContact O-OG1 2.95Å; T482-F484 HydrophobicContact CG2-CB 4.32Å; T482-P517 WeakPolarHBondContact O-CD 3.47Å
483	V	98.2	Very high	94.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112.2	160.2	177.9	0	0	0	0	107.9	L278 N279 I280 Y281 I514 L516 L551	L278-V483 HydrophobicContact CD1-CG2 4.07Å; N279-V483 PolarHBondContact O-N 3.03Å; I280-V483 WeakPolarHBondContact CA-O 3.49Å; Y281-V483 PolarHBondContact N-O 3.39Å; V483-I514 HydrophobicContact CG1-CD1 4.07Å; V483-I514 HydrophobicContact CG1-CG1 4.18Å; V483-L516 HydrophobicContact CG1-CD2 4.22Å; V483-L516 HydrophobicContact CG2-CD2 4.25Å; V483-L551 HydrophobicContact CB-CD1 4.27Å; V483-L551 HydrophobicContact CG1-CD1 4.39Å; V483-L551 HydrophobicContact CG2-CD1 4.09Å; V483-L551 HydrophobicContact CG2-CD2 4.06Å
484	F	98.5	Very high	93.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.8	-175.1	-169.8	171.3	0	0	0	110.3	Y281 L283 L470 L479 T482 V486 I515	Y281-F484 AromaticContact CD1-CD1 3.93Å; Y281-F484 HydrophobicContact CD1-CD1 3.93Å; Y281-F484 AromaticContact CD1-CD2 3.66Å; Y281-F484 HydrophobicContact CD1-CD2 3.66Å; Y281-F484 AromaticContact CD1-CE1 3.63Å; Y281-F484 HydrophobicContact CD1-CE1 3.63Å; Y281-F484 AromaticContact CD1-CE2 3.38Å; Y281-F484 HydrophobicContact CD1-CE2 3.38Å; Y281-F484 AromaticContact CD1-CG 3.96Å; Y281-F484 HydrophobicContact CD1-CG 3.96Å; Y281-F484 AromaticContact CD1-CZ 3.38Å; Y281-F484 HydrophobicContact CD1-CZ 3.38Å; Y281-F484 HydrophobicContact CE1-CD1 4.41Å; Y281-F484 HydrophobicContact CE1-CD2 4.18Å; Y281-F484 AromaticContact CE1-CE1 3.65Å; Y281-F484 HydrophobicContact CE1-CE1 3.65Å; Y281-F484 AromaticContact CE1-CE2 3.41Å; Y281-F484 HydrophobicContact CE1-CE2 3.41Å; Y281-F484 VanDerWaalsContact CE1-CE2 3.41Å; Y281-F484 AromaticContact CE1-CZ 3.1Å; Y281-F484 HydrophobicContact CE1-CZ 3.1Å; Y281-F484 HydrophobicContact CG-CD2 4.03Å; Y281-F484 AromaticContact CG-CE2 3.98Å; Y281-F484 HydrophobicContact CG-CE2 3.98Å; Y281-F484 HydrophobicContact CG-CZ 4.4Å; Y281-F484 AromaticContact CZ-CZ 3.95Å; Y281-F484 CarbonylContact O-C 3.54Å; Y281-F484 WeakPolarHBondContact O-CA 3.44Å; Y281-F484 WeakPolarHBondContact O-CD2 3.41Å; L283-F484 HydrophobicContact CB-CE2 3.78Å; L283-F484 HydrophobicContact CB-CZ 4.38Å; L283-F484 HydrophobicContact CD2-CE2 4.47Å; L283-F484 HydrophobicContact CD2-CZ 4.34Å; L470-F484 HydrophobicContact CD2-CD1 4.25Å; L470-F484 HydrophobicContact CD2-CE1 3.41Å; L470-F484 VanDerWaalsContact CD2-CE1 3.41Å; L470-F484 HydrophobicContact CD2-CZ 3.68Å; L479-F484 HydrophobicContact CD2-CD1 3.95Å; T482-F484 HydrophobicContact CG2-CB 4.32Å; F484-V486 HydrophobicContact CD2-CG2 4.14Å; F484-V486 HydrophobicContact CE2-CG2 3.73Å; F484-V486 HydrophobicContact CZ-CG2 4.26Å; F484-I515 HydrophobicContact CB-CB 4.2Å; F484-I515 HydrophobicContact CB-CD1 4.45Å; F484-I515 HydrophobicContact CD1-CD1 4.46Å; F484-I515 HydrophobicContact CG-CD1 4.42Å; F484-I515 PolarHBondContact N-O 3.33Å; F484-I515 PolarHBondContact O-N 3.3Å
485	I	98.5	Very high	92.1	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.2	176.5	-60.1	171.2	0	0	0	109.5	Y281 I282 L283 F487 V512 S513 I514 L548	Y281-I485 PolarHBondContact O-N 2.79Å; I282-I485 CarbonylContact C-O 3.54Å; I282-I485 VanDerWaalsContact CA-O 3.3Å; I282-I485 WeakPolarHBondContact CA-O 3.49Å; I282-I485 HydrophobicContact CG1-CB 4.26Å; I282-I485 HydrophobicContact CG1-CD1 4.41Å; I282-I485 HydrophobicContact CG2-CB 4.48Å; I282-I485 HydrophobicContact CG2-CG2 4.43Å; L283-I485 PolarHBondContact N-O 3.15Å; I485-F487 HydrophobicContact CG2-CB 4.32Å; I485-V512 HydrophobicContact CG2-CG1 4.43Å; I485-S513 CarbonylContact C-O 3.17Å; I485-S513 VanDerWaalsContact CA-O 3.27Å; I485-S513 WeakPolarHBondContact CA-O 3.4Å; I485-S513 WeakPolarHBondContact CG2-O 3.48Å; I485-I514 HydrophobicContact CG1-CB 4.44Å; I485-I514 HydrophobicContact CG1-CD1 4.44Å; I485-I514 HydrophobicContact CG1-CG1 4.13Å; I485-L548 HydrophobicContact CD1-CD2 4.4Å
486	V	98.1	Very high	91	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.7	169.9	-175.9	0	0	0	0	108	L283 F285 F293 I304 F484 F511 V512 S513	L283-V486 HydrophobicContact CB-CG2 4.48Å; L283-V486 HydrophobicContact CD2-CG1 4.4Å; L283-V486 HydrophobicContact CD2-CG2 4.46Å; L283-V486 HydrophobicContact CG-CG1 4.47Å; L283-V486 CarbonylContact O-C 3.39Å; L283-V486 WeakPolarHBondContact O-CA 3.37Å; F285-V486 HydrophobicContact CE2-CG1 4.3Å; F293-V486 HydrophobicContact CE2-CG1 4.23Å; F293-V486 HydrophobicContact CZ-CG1 4.07Å; I304-V486 HydrophobicContact CD1-CB 4.09Å; I304-V486 HydrophobicContact CD1-CG1 4.16Å; I304-V486 HydrophobicContact CD1-CG2 3.91Å; F484-V486 HydrophobicContact CD2-CG2 4.14Å; F484-V486 HydrophobicContact CE2-CG2 3.73Å; F484-V486 HydrophobicContact CZ-CG2 4.26Å; V486-F511 HydrophobicContact CB-CE1 4.29Å; V486-F511 HydrophobicContact CG1-CD1 4.39Å; V486-F511 HydrophobicContact CG1-CE1 4.07Å; V486-V512 CarbonylContact O-C 3.41Å; V486-V512 WeakPolarHBondContact O-CA 3.36Å; V486-S513 PolarHBondContact N-O 2.76Å; V486-S513 PolarHBondContact O-N 2.89Å; V486-S513 PolarHBondContact O-OG 3.14Å
487	F	96.5	Very high	90.1	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	173.1	-171.2	93.3	-73.9	0	0	0	114.3	I282 L283 G284 F285 L327 I330 F445 F447 I485 F511 V512	I282-F487 HydrophobicContact CG2-CD1 3.44Å; I282-F487 VanDerWaalsContact CG2-CD1 3.44Å; I282-F487 HydrophobicContact CG2-CE1 3.51Å; L283-F487 PolarHBondContact O-N 3.38Å; G284-F487 CarbonylContact C-O 3.5Å; G284-F487 VanDerWaalsContact CA-O 3.27Å; G284-F487 WeakPolarHBondContact CA-O 3.3Å; F285-F487 PolarHBondContact N-O 3.26Å; F285-F487 VanDerWaalsContact N-O 3.1Å; L327-F487 HydrophobicContact CD1-CE2 4.08Å; L327-F487 HydrophobicContact CD1-CZ 4.1Å; I330-F487 HydrophobicContact CD1-CD2 4.25Å; I330-F487 HydrophobicContact CD1-CE2 4.03Å; F445-F487 HydrophobicContact CE1-CE1 4.29Å; F445-F487 HydrophobicContact CE1-CZ 4.28Å; F445-F487 HydrophobicContact CE2-CE1 4.14Å; F445-F487 HydrophobicContact CE2-CZ 4.28Å; F445-F487 AromaticContact CZ-CE1 3.67Å; F445-F487 HydrophobicContact CZ-CE1 3.67Å; F445-F487 AromaticContact CZ-CZ 3.55Å; F445-F487 HydrophobicContact CZ-CZ 3.55Å; F447-F487 HydrophobicContact CD2-CE1 4.19Å; F447-F487 AromaticContact CD2-CZ 3.8Å; F447-F487 HydrophobicContact CD2-CZ 3.8Å; F447-F487 HydrophobicContact CE2-CE1 4.35Å; F447-F487 HydrophobicContact CE2-CE2 4.14Å; F447-F487 AromaticContact CE2-CZ 3.61Å; F447-F487 HydrophobicContact CE2-CZ 3.61Å; I485-F487 HydrophobicContact CG2-CB 4.32Å; F487-F511 CarbonylContact C-O 3.58Å; F487-F511 VanDerWaalsContact C-O 3.27Å; F487-F511 WeakPolarHBondContact CA-O 3.49Å; F487-V512 HydrophobicContact CB-CB 4.47Å; F487-V512 HydrophobicContact CB-CG1 4.17Å; F487-V512 HydrophobicContact CB-CG2 4.15Å
488	S	96.6	Very high	89.4	Confident	0 Å²	0	19 Å²	19	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.2	169.1	-51.6	0	0	0	0	109.2	F285 V288 P510 F511	F285-S488 VanDerWaalsContact O-CA 3.24Å; F285-S488 WeakPolarHBondContact O-CA 3.33Å; F285-S488 VanDerWaalsContact O-CB 3.27Å; F285-S488 WeakPolarHBondContact O-CB 3.18Å; V288-S488 WeakPolarHBondContact O-CB 3.12Å; V288-S488 PolarHBondContact O-OG 3.08Å; S488-P510 VanDerWaalsContact O-CB 3.29Å; S488-P510 WeakPolarHBondContact O-CB 3.19Å; S488-F511 PolarHBondContact N-O 3.21Å
489	D	93	Very high	88.2	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.011	13%	0.13	C	C	.	.	S	Bend	trans	-78.4	-46.3	-173.7	61.9	-18.9	0	0	0	113.2	F285 D286 I318 T323 A326 L327 F447	F285-D489 PolarHBondContact O-N 3.25Å; D286-D489 WeakPolarHBondContact CA-OD1 3.38Å; I318-D489 WeakPolarHBondContact CG2-O 3.24Å; T323-D489 WeakPolarHBondContact CA-OD2 3.37Å; T323-D489 VanDerWaalsContact CB-OD2 3.26Å; T323-D489 WeakPolarHBondContact CB-OD2 3.42Å; T323-D489 HydrophobicContact CG2-CB 4.35Å; T323-D489 WeakPolarHBondContact CG2-OD2 3.38Å; T323-D489 PolarHBondContact OG1-OD2 3.02Å; A326-D489 HydrophobicContact CB-CB 3.78Å; A326-D489 WeakPolarHBondContact CB-O 3.36Å; L327-D489 HydrophobicContact CD1-CB 3.95Å; F447-D489 HydrophobicContact CE2-CB 4.22Å; F447-D489 HydrophobicContact CZ-CB 3.83Å
490	H	91.4	Very high	87.2	Confident	5 Å²	5	26.2 Å²	26.2	2%	0.023	13%	0.13	C	C	.	.			trans	-159.7	174.5	174.8	50.8	70.4	0	0	0	110.2	D286 S287 V288 I318 G322 T323 R493	D286-H490 IonicContact OD1-CE1 2.76Å; S287-H490 CarbonylContact C-O 3.49Å; S287-H490 WeakPolarHBondContact CA-O 3.23Å; S287-H490 WeakPolarHBondContact CB-CE1 3.26Å; S287-H490 WeakPolarHBondContact CB-ND1 3.13Å; S287-H490 VanDerWaalsContact CB-O 3.26Å; S287-H490 WeakPolarHBondContact CB-O 3.43Å; V288-H490 PolarHBondContact N-O 3.28Å; I318-H490 HydrophobicContact CG2-CB 4.15Å; G322-H490 VanDerWaalsContact CA-CD2 3.44Å; G322-H490 WeakPolarHBondContact CA-CD2 3.44Å; G322-H490 VanDerWaalsContact CA-NE2 3.3Å; G322-H490 WeakPolarHBondContact CA-NE2 3.18Å; T323-H490 PolarHBondContact N-NE2 2.91Å; H490-R493 WeakPolarHBondContact CE1-CD 3.42Å
491	G	90.5	Very high	86.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-86.4	-167.9	167.1	0	0	0	0	0	112.9	R493 E507	G491-R493 PolarHBondContact O-N 3.39Å; G491-E507 PolarHBondContact N-O 3.48Å
492	A	83.5	Confident	85.6	Confident	22 Å²	22	30.8 Å²	30.8	18%	0.182	15%	0.146	C	C	.	.			trans	-67.1	128.6	-176.6	0	0	0	0	0	113.2	S495 R498	A492-S495 VanDerWaalsContact CB-OG 3.28Å; A492-S495 WeakPolarHBondContact CB-OG 3.31Å; A492-R498 WeakPolarHBondContact O-CB 3.49Å; A492-R498 WeakPolarHBondContact O-CD 3.5Å
493	R	75.7	Confident	84.8	Confident	64 Å²	64	30.9 Å²	30.9	24%	0.242	15%	0.146	C	C	.	.	S	Bend	trans	-95.7	-23.5	-173.6	-68.1	172.6	63.1	-150.5	1.5	116.3	D321 H490 G491 R498	D321-R493 IonicContact OD1-CZ 3.85Å; D321-R493 IonicContact OD1-NE 3.59Å; D321-R493 PolarHBondContact OD1-NE 3.1Å; D321-R493 IonicContact OD1-NH2 3.72Å; D321-R493 PolarHBondContact OD1-NH2 3.06Å; D321-R493 IonicContact OD2-CZ 3.4Å; D321-R493 IonicContact OD2-NE 3.43Å; D321-R493 IonicContact OD2-NH2 3.21Å; D321-R493 PolarHBondContact OD2-NH2 3.36Å; H490-R493 WeakPolarHBondContact CE1-CD 3.42Å; G491-R493 PolarHBondContact O-N 3.39Å; R493-R498 WeakPolarHBondContact O-CG 3.3Å
494	F	68.4	Low	84.1	Confident	92 Å²	92	31.4 Å²	31.4	40%	0.404	15%	0.149	S	C	.	.	S	Bend	trans	-147.7	14.8	-176.8	47.2	-99.8	0	0	0	114.7
495	S	72.2	Confident	83.5	Confident	33 Å²	33	33.3 Å²	33.3	23%	0.231	16%	0.159	C	C	.	.	S	Bend	trans	-78.2	173.1	177.8	72.3	0	0	0	0	112.9	A492 V497 R498	A492-S495 VanDerWaalsContact CB-OG 3.28Å; A492-S495 WeakPolarHBondContact CB-OG 3.31Å; S495-V497 PolarHBondContact O-N 2.61Å; S495-V497 PolarHBondContact OG-N 2.85Å; S495-R498 PolarHBondContact O-N 3.45Å; S495-R498 PolarHBondContact OG-N 2.93Å
496	S	73.4	Confident	83.2	Confident	61 Å²	61	33.3 Å²	33.3	43%	0.427	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-37.6	169.3	47.1	0	0	0	0	111.8	R498 R499	S496-R498 PolarHBondContact O-N 2.86Å; S496-R499 WeakPolarHBondContact O-CB 3.24Å; S496-R499 PolarHBondContact O-N 2.98Å
497	V	78	Confident	82.8	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.03	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-60.5	-44.5	175.8	171.4	0	0	0	0	110.9	I166 L169 L456 S495 R499 T500 G503	I166-V497 HydrophobicContact CD1-CG1 3.94Å; I166-V497 HydrophobicContact CG1-CG1 4.13Å; I166-V497 HydrophobicContact CG2-CG1 4.38Å; I166-V497 HydrophobicContact CG2-CG2 4.26Å; L169-V497 HydrophobicContact CB-CG2 3.98Å; L169-V497 HydrophobicContact CD1-CB 4.39Å; L169-V497 HydrophobicContact CD1-CG2 3.65Å; L169-V497 HydrophobicContact CG-CG2 4.47Å; L456-V497 HydrophobicContact CD2-CB 4.14Å; L456-V497 HydrophobicContact CD2-CG2 3.42Å; L456-V497 VanDerWaalsContact CD2-CG2 3.42Å; S495-V497 PolarHBondContact O-N 2.61Å; S495-V497 PolarHBondContact OG-N 2.85Å; V497-R499 PolarHBondContact O-N 3.24Å; V497-T500 WeakPolarHBondContact O-CB 3.32Å; V497-T500 WeakPolarHBondContact O-CG2 3.37Å; V497-T500 PolarHBondContact O-N 2.86Å; V497-T500 PolarHBondContact O-OG1 3.01Å; V497-G503 WeakPolarHBondContact O-CA 3.28Å
498	R	80.6	Confident	82.6	Confident	6 Å²	6	33.5 Å²	33.5	2%	0.023	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.7	-20.4	179.5	-179.5	53.7	177.7	84.9	-11.5	114.6	A492 R493 S495 S496 E507 E687	A492-R498 WeakPolarHBondContact O-CB 3.49Å; A492-R498 WeakPolarHBondContact O-CD 3.5Å; R493-R498 WeakPolarHBondContact O-CG 3.3Å; S495-R498 PolarHBondContact O-N 3.45Å; S495-R498 PolarHBondContact OG-N 2.93Å; S496-R498 PolarHBondContact O-N 2.86Å; R498-E507 IonicContact CZ-OE1 3.63Å; R498-E507 IonicContact CZ-OE2 2.86Å; R498-E507 IonicContact NE-OE1 3.8Å; R498-E507 PolarHBondContact NE-OE1 3.5Å; R498-E507 IonicContact NE-OE2 3.67Å; R498-E507 PolarHBondContact NE-OE2 3.21Å; R498-E507 IonicContact NH2-OE1 2.83Å; R498-E507 IonicContact NH2-OE2 3.53Å; R498-E507 PolarHBondContact NH2-OE2 3.1Å; R498-E687 IonicContact CZ-OE1 2.68Å; R498-E687 IonicContact NH1-OE1 3.3Å; R498-E687 IonicContact NH2-OE1 3.37Å; R498-E687 PolarHBondContact NH2-OE1 3.07Å
499	R	72.8	Confident	82.5	Confident	162 Å²	162	33.6 Å²	33.6	61%	0.611	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-79.1	-19.3	176.7	-60.4	-178.3	-175.4	166.3	4.3	113.1	S496 V497	S496-R499 WeakPolarHBondContact O-CB 3.24Å; S496-R499 PolarHBondContact O-N 2.98Å; V497-R499 PolarHBondContact O-N 3.24Å
500	T	76.9	Confident	82.6	Confident	14 Å²	14	33.6 Å²	33.6	9%	0.086	16%	0.16	C	C	.	.	S	Bend	trans	-75	158.7	176.2	70.8	0	0	0	0	110.9	E165 I166 L169 V497 Q502 G503 K504	E165-T500 HydrophobicContact CB-CG2 3.76Å; E165-T500 WeakPolarHBondContact OE2-CA 3.18Å; E165-T500 VanDerWaalsContact OE2-CB 3.25Å; E165-T500 WeakPolarHBondContact OE2-CB 3.3Å; I166-T500 HydrophobicContact CG1-CG2 4.38Å; L169-T500 HydrophobicContact CD1-CG2 4.31Å; V497-T500 WeakPolarHBondContact O-CB 3.32Å; V497-T500 WeakPolarHBondContact O-CG2 3.37Å; V497-T500 PolarHBondContact O-N 2.86Å; V497-T500 PolarHBondContact O-OG1 3.01Å; T500-Q502 PolarHBondContact O-N 3.36Å; T500-G503 PolarHBondContact O-N 2.76Å; T500-G503 WeakPolarHBondContact OG1-CA 3.18Å; T500-G503 PolarHBondContact OG1-N 2.98Å; T500-K504 WeakPolarHBondContact O-CG 3.16Å; T500-K504 PolarHBondContact O-N 3.22Å
501	K	75.3	Confident	82.9	Confident	163 Å²	163	33.4 Å²	33.4	71%	0.709	16%	0.159	S	C	*	.	H	α-helix	trans	-61.6	-45.7	178.2	179.7	-173.1	170.2	-161.5	0	111.6	E165 K504	E165-K501 PolarHBondContact OE2-N 3.09Å; K501-K504 PolarHBondContact O-N 3.4Å
502	Q	81	Confident	83.3	Confident	11 Å²	11	33.4 Å²	33.4	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-69.9	-35.3	178.6	177.8	165.9	-60.7	0	0	111.8	N160 D163 I166 T500 K504 L505 E506	N160-Q502 PolarHBondContact O-NE2 3.47Å; N160-Q502 PolarHBondContact O-OE1 3.27Å; D163-Q502 PolarHBondContact OD2-OE1 2.98Å; I166-Q502 HydrophobicContact CD1-CB 3.73Å; I166-Q502 HydrophobicContact CD1-CG 3.62Å; I166-Q502 HydrophobicContact CG1-CB 4.47Å; T500-Q502 PolarHBondContact O-N 3.36Å; Q502-K504 PolarHBondContact O-N 2.82Å; Q502-L505 WeakPolarHBondContact O-CA 3.46Å; Q502-L505 WeakPolarHBondContact O-CB 3.4Å; Q502-L505 PolarHBondContact O-N 2.89Å; Q502-E506 HydrophobicContact CG-CG 3.98Å; Q502-E506 PolarHBondContact NE2-OE1 3.19Å; Q502-E506 PolarHBondContact O-N 3.46Å
503	G	82.8	Confident	84	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-33.9	176.1	0	0	0	0	0	113.8	V497 T500 L505 E506 E507	V497-G503 WeakPolarHBondContact O-CA 3.28Å; T500-G503 PolarHBondContact O-N 2.76Å; T500-G503 WeakPolarHBondContact OG1-CA 3.18Å; T500-G503 PolarHBondContact OG1-N 2.98Å; G503-L505 VanDerWaalsContact C-N 3.29Å; G503-L505 PolarHBondContact O-N 2.93Å; G503-E506 PolarHBondContact O-N 2.75Å; G503-E507 PolarHBondContact O-N 3.28Å
504	K	82.9	Confident	85.1	Confident	13 Å²	13	29.5 Å²	29.5	6%	0.057	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-29.7	173.5	-49.3	-161.5	177.4	-174.8	0	113.2	T500 K501 Q502 E636 E687	T500-K504 WeakPolarHBondContact O-CG 3.16Å; T500-K504 PolarHBondContact O-N 3.22Å; K501-K504 PolarHBondContact O-N 3.4Å; Q502-K504 PolarHBondContact O-N 2.82Å; K504-E636 IonicContact NZ-OE2 3.43Å; K504-E636 PolarHBondContact NZ-OE2 3.23Å; K504-E687 IonicContact NZ-OE2 3.1Å; K504-E687 PolarHBondContact NZ-OE2 3.41Å
505	L	86.5	Confident	86.5	Confident	40 Å²	40	25.4 Å²	25.4	21%	0.209	12%	0.122	C	C	.	.	H	α-helix	trans	-82.6	-41.8	174.4	-70.1	173.9	0	0	0	111	P157 Q159 Q502 G503 E507 R508 N509	P157-L505 HydrophobicContact CB-CD1 4.35Å; P157-L505 HydrophobicContact CB-CD2 4.42Å; Q159-L505 HydrophobicContact CG-CB 4.4Å; Q502-L505 WeakPolarHBondContact O-CA 3.46Å; Q502-L505 WeakPolarHBondContact O-CB 3.4Å; Q502-L505 PolarHBondContact O-N 2.89Å; G503-L505 VanDerWaalsContact C-N 3.29Å; G503-L505 PolarHBondContact O-N 2.93Å; L505-E507 VanDerWaalsContact C-N 3.27Å; L505-E507 PolarHBondContact O-N 3.29Å; L505-R508 PolarHBondContact O-N 3.12Å; L505-N509 PolarHBondContact O-N 3.36Å; L505-N509 VanDerWaalsContact O-N 3.09Å; L505-N509 PolarHBondContact O-OD1 2.72Å
506	E	90.8	Very high	87.7	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-60.6	-32.7	176.8	-76.9	-163.1	-155.4	0	0	113.4	I166 S289 M291 T292 R295 Q502 G503 R508	I166-E506 WeakPolarHBondContact CD1-OE1 3.48Å; S289-E506 WeakPolarHBondContact CB-O 3.41Å; S289-E506 PolarHBondContact OG-OE2 2.83Å; M291-E506 HydrophobicContact CB-CG 4.12Å; M291-E506 WeakPolarHBondContact CB-OE1 3.25Å; M291-E506 HydrophobicContact CG-CG 4.17Å; T292-E506 PolarHBondContact OG1-OE2 2.81Å; R295-E506 IonicContact CZ-OE1 3.72Å; R295-E506 IonicContact CZ-OE2 2.71Å; R295-E506 IonicContact NH1-OE1 2.8Å; R295-E506 PolarHBondContact NH1-OE1 3.21Å; R295-E506 VanDerWaalsContact NH1-OE1 3.09Å; R295-E506 IonicContact NH2-OE1 3.78Å; R295-E506 PolarHBondContact NH2-OE1 2.95Å; R295-E506 IonicContact NH2-OE2 2.66Å; R295-E506 PolarHBondContact NH2-OE2 3.3Å; Q502-E506 HydrophobicContact CG-CG 3.98Å; Q502-E506 PolarHBondContact NE2-OE1 3.19Å; Q502-E506 PolarHBondContact O-N 3.46Å; G503-E506 PolarHBondContact O-N 2.75Å; E506-R508 PolarHBondContact O-N 3.25Å
507	E	89.7	Confident	88.8	Confident	5 Å²	5	22.6 Å²	22.6	2%	0.023	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-41.8	168.1	176.1	-176	-119.4	0	0	112.1	G491 R498 G503 L505	G491-E507 PolarHBondContact N-O 3.48Å; R498-E507 IonicContact CZ-OE1 3.63Å; R498-E507 IonicContact CZ-OE2 2.86Å; R498-E507 IonicContact NE-OE1 3.8Å; R498-E507 PolarHBondContact NE-OE1 3.5Å; R498-E507 IonicContact NE-OE2 3.67Å; R498-E507 PolarHBondContact NE-OE2 3.21Å; R498-E507 IonicContact NH2-OE1 2.83Å; R498-E507 IonicContact NH2-OE2 3.53Å; R498-E507 PolarHBondContact NH2-OE2 3.1Å; G503-E507 PolarHBondContact O-N 3.28Å; L505-E507 VanDerWaalsContact C-N 3.27Å; L505-E507 PolarHBondContact O-N 3.29Å
508	R	92.4	Very high	89.6	Confident	1 Å²	1	26.2 Å²	26.2	0%	0.004	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14.1	-169.9	-61.3	174.6	179.6	155.9	-5.7	114.2	I318 L505 E506 P510 H587	I318-R508 HydrophobicContact CD1-CB 4.27Å; I318-R508 HydrophobicContact CD1-CG 4.01Å; I318-R508 HydrophobicContact CG1-CB 4.15Å; I318-R508 HydrophobicContact CG1-CG 4.26Å; I318-R508 PolarHBondContact N-O 3.4Å; I318-R508 VanDerWaalsContact N-O 3.12Å; L505-R508 PolarHBondContact O-N 3.12Å; E506-R508 PolarHBondContact O-N 3.25Å; R508-P510 VanDerWaalsContact C-CD 3.49Å; R508-P510 WeakPolarHBondContact O-CD 3.34Å; R508-H587 VanDerWaalsContact CZ-O 3.28Å; R508-H587 PolarHBondContact NH2-O 2.75Å
509	N	94.4	Very high	90.3	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	14%	0.136	C	C	.	.			trans	-120.6	78	-177.3	-59.5	130.5	0	0	0	110.6	R290 Y316 L505 S590	R290-N509 PolarHBondContact N-O 2.75Å; Y316-N509 PolarHBondContact O-ND2 3.4Å; L505-N509 PolarHBondContact O-N 3.36Å; L505-N509 VanDerWaalsContact O-N 3.09Å; L505-N509 PolarHBondContact O-OD1 2.72Å; N509-S590 PolarHBondContact ND2-OG 3.37Å
510	P	96.3	Very high	91.3	Very high	2 Å²	2	22 Å²	22	1%	0.013	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-71.1	166.5	175.2	30.2	-34	0	0	0	112.4	Y316 I318 S488 R508	Y316-P510 HydrophobicContact CD1-CG 3.75Å; Y316-P510 HydrophobicContact CE1-CG 3.98Å; I318-P510 HydrophobicContact CG2-CG 3.94Å; S488-P510 VanDerWaalsContact O-CB 3.29Å; S488-P510 WeakPolarHBondContact O-CB 3.19Å; R508-P510 VanDerWaalsContact C-CD 3.49Å; R508-P510 WeakPolarHBondContact O-CD 3.34Å
511	F	97.2	Very high	92	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.			trans	-74.3	133.9	174.1	-175.8	-103.8	0	0	0	110.7	R290 F293 Y301 I304 V312 V486 F487 S488	R290-F511 HydrophobicContact CG-CD2 4.3Å; F293-F511 HydrophobicContact CB-CB 3.68Å; F293-F511 HydrophobicContact CB-CD2 4.01Å; F293-F511 HydrophobicContact CB-CG 3.82Å; F293-F511 AromaticContact CD1-CD1 3.86Å; F293-F511 HydrophobicContact CD1-CD1 3.86Å; F293-F511 AromaticContact CD1-CD2 3.8Å; F293-F511 HydrophobicContact CD1-CD2 3.8Å; F293-F511 AromaticContact CD1-CE1 3.94Å; F293-F511 HydrophobicContact CD1-CE1 3.94Å; F293-F511 AromaticContact CD1-CE2 3.9Å; F293-F511 HydrophobicContact CD1-CE2 3.9Å; F293-F511 AromaticContact CD1-CG 3.79Å; F293-F511 HydrophobicContact CD1-CG 3.79Å; F293-F511 AromaticContact CD1-CZ 3.96Å; F293-F511 HydrophobicContact CD1-CZ 3.96Å; F293-F511 HydrophobicContact CD2-CB 3.77Å; F293-F511 AromaticContact CD2-CD1 3.56Å; F293-F511 HydrophobicContact CD2-CD1 3.56Å; F293-F511 HydrophobicContact CD2-CD2 4.47Å; F293-F511 HydrophobicContact CD2-CE1 4.28Å; F293-F511 AromaticContact CD2-CG 3.67Å; F293-F511 HydrophobicContact CD2-CG 3.67Å; F293-F511 AromaticContact CE1-CD1 3.86Å; F293-F511 HydrophobicContact CE1-CD1 3.86Å; F293-F511 HydrophobicContact CE1-CD2 4.41Å; F293-F511 AromaticContact CE1-CE1 3.58Å; F293-F511 HydrophobicContact CE1-CE1 3.58Å; F293-F511 HydrophobicContact CE1-CE2 4.2Å; F293-F511 HydrophobicContact CE1-CG 4.27Å; F293-F511 AromaticContact CE1-CZ 3.77Å; F293-F511 HydrophobicContact CE1-CZ 3.77Å; F293-F511 AromaticContact CE2-CD1 3.54Å; F293-F511 HydrophobicContact CE2-CD1 3.54Å; F293-F511 AromaticContact CE2-CE1 3.94Å; F293-F511 HydrophobicContact CE2-CE1 3.94Å; F293-F511 HydrophobicContact CE2-CG 4.15Å; F293-F511 HydrophobicContact CG-CB 3.76Å; F293-F511 AromaticContact CG-CD1 3.72Å; F293-F511 HydrophobicContact CG-CD1 3.72Å; F293-F511 AromaticContact CG-CD2 3.84Å; F293-F511 HydrophobicContact CG-CD2 3.84Å; F293-F511 HydrophobicContact CG-CE1 4.28Å; F293-F511 HydrophobicContact CG-CE2 4.41Å; F293-F511 AromaticContact CG-CG 3.47Å; F293-F511 HydrophobicContact CG-CG 3.47Å; F293-F511 VanDerWaalsContact CG-CG 3.47Å; F293-F511 AromaticContact CZ-CD1 3.7Å; F293-F511 HydrophobicContact CZ-CD1 3.7Å; F293-F511 AromaticContact CZ-CE1 3.58Å; F293-F511 HydrophobicContact CZ-CE1 3.58Å; F293-F511 HydrophobicContact CZ-CG 4.43Å; F293-F511 HydrophobicContact CZ-CZ 4.25Å; Y301-F511 AromaticContact CD2-CE2 3.58Å; Y301-F511 HydrophobicContact CD2-CE2 3.58Å; Y301-F511 HydrophobicContact CD2-CZ 4Å; Y301-F511 AromaticContact CE2-CE2 3.76Å; Y301-F511 HydrophobicContact CE2-CE2 3.76Å; Y301-F511 HydrophobicContact CE2-CZ 4.44Å; I304-F511 HydrophobicContact CD1-CE1 4.36Å; I304-F511 HydrophobicContact CD1-CZ 4.49Å; V312-F511 HydrophobicContact CG1-CE2 4.03Å; V312-F511 HydrophobicContact CG2-CE2 4.16Å; V312-F511 HydrophobicContact CG2-CZ 4.35Å; V486-F511 HydrophobicContact CB-CE1 4.29Å; V486-F511 HydrophobicContact CG1-CD1 4.39Å; V486-F511 HydrophobicContact CG1-CE1 4.07Å; F487-F511 CarbonylContact C-O 3.58Å; F487-F511 VanDerWaalsContact C-O 3.27Å; F487-F511 WeakPolarHBondContact CA-O 3.49Å; S488-F511 PolarHBondContact N-O 3.21Å
512	V	98.3	Very high	92.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.3	168.3	-172.9	0	0	0	0	109.3	V312 L313 Y316 I485 V486 F487 L544	V312-V512 WeakPolarHBondContact CA-O 3.2Å; L313-V512 HydrophobicContact CB-CB 4.22Å; L313-V512 HydrophobicContact CD1-CB 4.3Å; L313-V512 HydrophobicContact CD1-CG1 3.79Å; L313-V512 HydrophobicContact CG-CB 4.42Å; L313-V512 HydrophobicContact CG-CG1 4.23Å; L313-V512 PolarHBondContact N-O 3.48Å; Y316-V512 HydrophobicContact CD1-CG2 3.46Å; Y316-V512 VanDerWaalsContact CD1-CG2 3.46Å; Y316-V512 HydrophobicContact CD2-CB 4.35Å; Y316-V512 HydrophobicContact CD2-CG2 3.84Å; Y316-V512 HydrophobicContact CE1-CG2 3.64Å; Y316-V512 HydrophobicContact CE2-CG2 4.01Å; Y316-V512 HydrophobicContact CG-CB 4.27Å; Y316-V512 HydrophobicContact CG-CG2 3.53Å; I485-V512 HydrophobicContact CG2-CG1 4.43Å; V486-V512 CarbonylContact O-C 3.41Å; V486-V512 WeakPolarHBondContact O-CA 3.36Å; F487-V512 HydrophobicContact CB-CB 4.47Å; F487-V512 HydrophobicContact CB-CG1 4.17Å; F487-V512 HydrophobicContact CB-CG2 4.15Å; V512-L544 HydrophobicContact CG1-CD1 4.29Å; V512-L544 HydrophobicContact CG1-CD2 4.46Å
513	S	98.3	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.6	172.7	62.9	0	0	0	0	111.8	T311 I485 V486	T311-S513 CarbonylContact O-C 3.6Å; T311-S513 WeakPolarHBondContact O-CA 3.41Å; I485-S513 CarbonylContact C-O 3.17Å; I485-S513 VanDerWaalsContact CA-O 3.27Å; I485-S513 WeakPolarHBondContact CA-O 3.4Å; I485-S513 WeakPolarHBondContact CG2-O 3.48Å; V486-S513 PolarHBondContact N-O 2.76Å; V486-S513 PolarHBondContact O-N 2.89Å; V486-S513 PolarHBondContact O-OG 3.14Å
514	I	98.4	Very high	94.1	Very high	4 Å²	4	30 Å²	30	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.5	177.1	-174.2	169.3	0	0	0	110.2	G310 T311 V483 I485 L516 V531 L569	G310-I514 CarbonylContact C-O 3.51Å; G310-I514 WeakPolarHBondContact CA-O 3.23Å; T311-I514 PolarHBondContact N-O 3.34Å; T311-I514 PolarHBondContact O-N 3.31Å; V483-I514 HydrophobicContact CG1-CD1 4.07Å; V483-I514 HydrophobicContact CG1-CG1 4.18Å; I485-I514 HydrophobicContact CG1-CB 4.44Å; I485-I514 HydrophobicContact CG1-CD1 4.44Å; I485-I514 HydrophobicContact CG1-CG1 4.13Å; I514-L516 HydrophobicContact CD1-CD2 4.01Å; I514-L516 HydrophobicContact CG1-CD2 4.07Å; I514-V531 HydrophobicContact CG2-CG1 3.62Å; I514-L569 HydrophobicContact CD1-CD1 4.46Å
515	I	98.3	Very high	94.7	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.9	176.7	-57.5	157.5	0	0	0	106.7	I304 L308 F484	I304-I515 HydrophobicContact CG1-CD1 4.44Å; I304-I515 HydrophobicContact CG2-CD1 4.25Å; I304-I515 HydrophobicContact CG2-CG1 4.36Å; L308-I515 HydrophobicContact CB-CD1 4.27Å; L308-I515 HydrophobicContact CB-CG1 4.4Å; L308-I515 HydrophobicContact CB-CG2 4.12Å; L308-I515 HydrophobicContact CD1-CD1 3.85Å; F484-I515 HydrophobicContact CB-CB 4.2Å; F484-I515 HydrophobicContact CB-CD1 4.45Å; F484-I515 HydrophobicContact CD1-CD1 4.46Å; F484-I515 HydrophobicContact CG-CD1 4.42Å; F484-I515 PolarHBondContact N-O 3.33Å; F484-I515 PolarHBondContact O-N 3.3Å
516	L	97.7	Very high	95.1	Very high	33 Å²	33	33 Å²	33	17%	0.173	17%	0.174	C	C	.	.			trans	-108.2	157	-178.4	-60.8	176.8	0	0	0	110.3	V483 I514 F520 V528 V531 F570	V483-L516 HydrophobicContact CG1-CD2 4.22Å; V483-L516 HydrophobicContact CG2-CD2 4.25Å; I514-L516 HydrophobicContact CD1-CD2 4.01Å; I514-L516 HydrophobicContact CG1-CD2 4.07Å; L516-F520 HydrophobicContact CB-CB 4.2Å; L516-F520 HydrophobicContact CB-CG 4.37Å; L516-F520 HydrophobicContact CD1-CD1 4.04Å; L516-F520 HydrophobicContact CD1-CE1 4.41Å; L516-F520 HydrophobicContact CD1-CG 4.5Å; L516-V528 HydrophobicContact CD1-CG2 4.01Å; L516-V531 HydrophobicContact CD1-CG2 4.47Å; L516-F570 HydrophobicContact CD2-CE1 4.16Å; L516-F570 HydrophobicContact CD2-CZ 4.45Å
517	P	96.8	Very high	95.3	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.019	17%	0.173	C	C	.	.			trans	-54.9	144.9	172.4	-26.5	34.8	0	0	0	112.6	L479 T482 W519 F520	L479-P517 WeakPolarHBondContact O-CA 3.41Å; T482-P517 WeakPolarHBondContact O-CD 3.47Å; P517-W519 VanDerWaalsContact C-N 3.32Å; P517-W519 HydrophobicContact CB-CD2 4.31Å; P517-W519 HydrophobicContact CB-CG 4.48Å; P517-W519 HydrophobicContact CB-CZ2 3.98Å; P517-W519 HydrophobicContact CG-CZ2 4.13Å; P517-W519 PolarHBondContact O-N 2.97Å; P517-F520 HydrophobicContact CB-CB 4.45Å; P517-F520 HydrophobicContact CG-CD2 4.37Å; P517-F520 WeakPolarHBondContact O-CB 3.34Å; P517-F520 PolarHBondContact O-N 3.39Å
518	P	94.2	Very high	95.6	Very high	80 Å²	80	34.1 Å²	34.1	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-42.4	-176.5	-28.6	35.8	0	0	0	114.3	F520 S521	P518-F520 PolarHBondContact O-N 3.43Å; P518-S521 PolarHBondContact O-OG 3.34Å
519	W	95.2	Very high	95.8	Very high	78 Å²	78	41.3 Å²	41.3	30%	0.295	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.2	179.3	59.5	-101	0	0	0	113.9	F274 L278 N480 P517 S521 E522 K523 F524	F274-W519 HydrophobicContact CD1-CH2 4.22Å; F274-W519 HydrophobicContact CE1-CH2 4.28Å; L278-W519 HydrophobicContact CD1-CH2 4.29Å; L278-W519 HydrophobicContact CD1-CZ2 4.48Å; L278-W519 HydrophobicContact CD2-CH2 4.04Å; L278-W519 HydrophobicContact CD2-CZ2 3.67Å; N480-W519 PolarHBondContact O-NE1 3Å; P517-W519 VanDerWaalsContact C-N 3.32Å; P517-W519 HydrophobicContact CB-CD2 4.31Å; P517-W519 HydrophobicContact CB-CG 4.48Å; P517-W519 HydrophobicContact CB-CZ2 3.98Å; P517-W519 HydrophobicContact CG-CZ2 4.13Å; P517-W519 PolarHBondContact O-N 2.97Å; W519-S521 PolarHBondContact O-N 2.94Å; W519-E522 PolarHBondContact O-N 3.1Å; W519-E522 VanDerWaalsContact O-N 3.1Å; W519-K523 HydrophobicContact CE3-CB 4Å; W519-K523 HydrophobicContact CE3-CD 4.17Å; W519-K523 HydrophobicContact CZ3-CB 4.21Å; W519-K523 HydrophobicContact CZ3-CD 3.91Å; W519-K523 PolarHBondContact O-N 3.42Å; W519-K523 VanDerWaalsContact O-N 3.11Å; W519-F524 HydrophobicContact CZ3-CD2 4.28Å; W519-F524 AromaticContact CZ3-CE2 3.98Å; W519-F524 HydrophobicContact CZ3-CE2 3.98Å
520	F	94.7	Very high	95.9	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-32	-174.9	-151.6	-79.6	0	0	0	111.7	F274 L278 L516 P517 P518 E522 F524 A527 V528 F554 F570	F274-F520 AromaticContact CE1-CE2 3.72Å; F274-F520 HydrophobicContact CE1-CE2 3.72Å; F274-F520 HydrophobicContact CE1-CZ 4.18Å; F274-F520 AromaticContact CZ-CE2 4Å; F274-F520 HydrophobicContact CZ-CE2 4Å; F274-F520 HydrophobicContact CZ-CZ 4.15Å; L278-F520 HydrophobicContact CD1-CD2 4.3Å; L278-F520 HydrophobicContact CD1-CE2 3.85Å; L516-F520 HydrophobicContact CB-CB 4.2Å; L516-F520 HydrophobicContact CB-CG 4.37Å; L516-F520 HydrophobicContact CD1-CD1 4.04Å; L516-F520 HydrophobicContact CD1-CE1 4.41Å; L516-F520 HydrophobicContact CD1-CG 4.5Å; P517-F520 HydrophobicContact CB-CB 4.45Å; P517-F520 HydrophobicContact CG-CD2 4.37Å; P517-F520 WeakPolarHBondContact O-CB 3.34Å; P517-F520 PolarHBondContact O-N 3.39Å; P518-F520 PolarHBondContact O-N 3.43Å; F520-E522 VanDerWaalsContact C-N 3.33Å; F520-E522 PolarHBondContact O-N 2.69Å; F520-F524 HydrophobicContact CD1-CB 4.05Å; F520-F524 HydrophobicContact CD1-CD2 4.03Å; F520-F524 HydrophobicContact CD2-CD2 4.32Å; F520-F524 HydrophobicContact CE1-CB 3.88Å; F520-F524 AromaticContact CE1-CD2 3.82Å; F520-F524 HydrophobicContact CE1-CD2 3.82Å; F520-F524 HydrophobicContact CE1-CG 4.21Å; F520-F524 HydrophobicContact CE2-CD2 4.14Å; F520-F524 HydrophobicContact CE2-CE2 4.49Å; F520-F524 HydrophobicContact CG-CD2 4.28Å; F520-F524 AromaticContact CZ-CD2 3.88Å; F520-F524 HydrophobicContact CZ-CD2 3.88Å; F520-F524 HydrophobicContact CZ-CE2 4.5Å; F520-F524 CarbonylContact O-C 3.55Å; F520-F524 WeakPolarHBondContact O-CA 3.41Å; F520-F524 PolarHBondContact O-N 3.32Å; F520-A527 HydrophobicContact CE1-CB 4.43Å; F520-V528 HydrophobicContact CD1-CG2 3.7Å; F520-V528 HydrophobicContact CE1-CG2 4.47Å; F520-F554 HydrophobicContact CE1-CE2 4.33Å; F520-F554 HydrophobicContact CE1-CZ 4.05Å; F520-F554 AromaticContact CZ-CE2 3.73Å; F520-F554 HydrophobicContact CZ-CE2 3.73Å; F520-F554 AromaticContact CZ-CZ 3.84Å; F520-F554 HydrophobicContact CZ-CZ 3.84Å; F520-F570 HydrophobicContact CE1-CD1 4.26Å; F520-F570 AromaticContact CE1-CE1 3.85Å; F520-F570 HydrophobicContact CE1-CE1 3.85Å; F520-F570 HydrophobicContact CZ-CD1 4.47Å; F520-F570 AromaticContact CZ-CE1 3.82Å; F520-F570 HydrophobicContact CZ-CE1 3.82Å; F520-F570 HydrophobicContact CZ-CZ 4.11Å
521	S	91.9	Very high	96	Very high	64 Å²	64	41.8 Å²	41.8	45%	0.448	21%	0.211	S	C	.	.	H	α-helix	trans	-67	-31.2	176.7	65.6	0	0	0	0	113.6	P518 W519 P525	P518-S521 PolarHBondContact O-OG 3.34Å; W519-S521 PolarHBondContact O-N 2.94Å; S521-P525 WeakPolarHBondContact O-CA 3.05Å; S521-P525 WeakPolarHBondContact O-CB 3.25Å
522	E	94	Very high	95.9	Very high	161 Å²	161	45.7 Å²	45.7	75%	0.752	23%	0.234	S	C	*	.	H	α-helix	trans	-80.3	-44.2	178.2	-61.8	176.2	178.5	0	0	111.1	W519 F520	W519-E522 PolarHBondContact O-N 3.1Å; W519-E522 VanDerWaalsContact O-N 3.1Å; F520-E522 VanDerWaalsContact C-N 3.33Å; F520-E522 PolarHBondContact O-N 2.69Å
523	K	93.7	Very high	95.8	Very high	97 Å²	97	49.8 Å²	49.8	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-77.3	-37.2	-177.9	-166.2	168.3	-177.6	165.8	0	113.2	E275 W519 P525	E275-K523 IonicContact OE1-NZ 3.49Å; E275-K523 PolarHBondContact OE1-NZ 2.96Å; W519-K523 HydrophobicContact CE3-CB 4Å; W519-K523 HydrophobicContact CE3-CD 4.17Å; W519-K523 HydrophobicContact CZ3-CB 4.21Å; W519-K523 HydrophobicContact CZ3-CD 3.91Å; W519-K523 PolarHBondContact O-N 3.42Å; W519-K523 VanDerWaalsContact O-N 3.11Å; K523-P525 VanDerWaalsContact C-CD 3.47Å
524	F	94.6	Very high	95.7	Very high	36 Å²	36	49.8 Å²	49.8	16%	0.158	25%	0.252	C	S	.	.			trans	-130.2	59	-175.5	-54.9	-69	0	0	0	113	F274 W519 F520 T526 A527 V528 F554	F274-F524 AromaticContact CD1-CE2 3.96Å; F274-F524 HydrophobicContact CD1-CE2 3.96Å; F274-F524 HydrophobicContact CD1-CZ 4.24Å; F274-F524 HydrophobicContact CE1-CD2 4.29Å; F274-F524 AromaticContact CE1-CE2 3.45Å; F274-F524 HydrophobicContact CE1-CE2 3.45Å; F274-F524 VanDerWaalsContact CE1-CE2 3.45Å; F274-F524 AromaticContact CE1-CZ 3.96Å; F274-F524 HydrophobicContact CE1-CZ 3.96Å; F274-F524 HydrophobicContact CZ-CE2 4.36Å; W519-F524 HydrophobicContact CZ3-CD2 4.28Å; W519-F524 AromaticContact CZ3-CE2 3.98Å; W519-F524 HydrophobicContact CZ3-CE2 3.98Å; F520-F524 HydrophobicContact CD1-CB 4.05Å; F520-F524 HydrophobicContact CD1-CD2 4.03Å; F520-F524 HydrophobicContact CD2-CD2 4.32Å; F520-F524 HydrophobicContact CE1-CB 3.88Å; F520-F524 AromaticContact CE1-CD2 3.82Å; F520-F524 HydrophobicContact CE1-CD2 3.82Å; F520-F524 HydrophobicContact CE1-CG 4.21Å; F520-F524 HydrophobicContact CE2-CD2 4.14Å; F520-F524 HydrophobicContact CE2-CE2 4.49Å; F520-F524 HydrophobicContact CG-CD2 4.28Å; F520-F524 AromaticContact CZ-CD2 3.88Å; F520-F524 HydrophobicContact CZ-CD2 3.88Å; F520-F524 HydrophobicContact CZ-CE2 4.5Å; F520-F524 CarbonylContact O-C 3.55Å; F520-F524 WeakPolarHBondContact O-CA 3.41Å; F520-F524 PolarHBondContact O-N 3.32Å; F524-T526 VanDerWaalsContact C-N 3.29Å; F524-T526 PolarHBondContact O-N 2.87Å; F524-A527 HydrophobicContact CB-CB 3.98Å; F524-A527 PolarHBondContact O-N 3.41Å; F524-A527 VanDerWaalsContact O-N 3.08Å; F524-V528 PolarHBondContact O-N 2.93Å; F524-V528 VanDerWaalsContact O-N 3.09Å; F524-F554 HydrophobicContact CB-CE1 4.35Å; F524-F554 HydrophobicContact CB-CZ 4.36Å; F524-F554 HydrophobicContact CD1-CD1 4.19Å; F524-F554 AromaticContact CD1-CE1 3.55Å; F524-F554 HydrophobicContact CD1-CE1 3.55Å; F524-F554 HydrophobicContact CD1-CZ 4.29Å; F524-F554 HydrophobicContact CD2-CE1 4.38Å; F524-F554 HydrophobicContact CD2-CZ 4.44Å; F524-F554 AromaticContact CE1-CD1 4Å; F524-F554 HydrophobicContact CE1-CD1 4Å; F524-F554 AromaticContact CE1-CE1 3.83Å; F524-F554 HydrophobicContact CE1-CE1 3.83Å; F524-F554 AromaticContact CG-CE1 3.84Å; F524-F554 HydrophobicContact CG-CE1 3.84Å; F524-F554 HydrophobicContact CG-CZ 4.12Å; F524-F554 HydrophobicContact CZ-CD1 4.39Å; F524-F554 HydrophobicContact CZ-CE1 4.36Å
525	P	94.9	Very high	95.6	Very high	60 Å²	60	49.7 Å²	49.7	39%	0.39	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-36.1	-172.6	23	-34.3	0	0	0	113.2	S521 K523 R529	S521-P525 WeakPolarHBondContact O-CA 3.05Å; S521-P525 WeakPolarHBondContact O-CB 3.25Å; K523-P525 VanDerWaalsContact C-CD 3.47Å; P525-R529 WeakPolarHBondContact O-CG 3.44Å; P525-R529 PolarHBondContact O-N 3.15Å
526	T	95.8	Very high	95.3	Very high	56 Å²	56	53.2 Å²	53.2	34%	0.344	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-42	177.1	-52.9	0	0	0	0	111.9	F524 R529 N530 P557	F524-T526 VanDerWaalsContact C-N 3.29Å; F524-T526 PolarHBondContact O-N 2.87Å; T526-R529 PolarHBondContact O-N 3.48Å; T526-R529 PolarHBondContact OG1-NH2 2.87Å; T526-N530 VanDerWaalsContact O-CG 3.29Å; T526-N530 PolarHBondContact O-N 3.14Å; T526-P557 HydrophobicContact CG2-CB 3.69Å; T526-P557 HydrophobicContact CG2-CG 4.28Å
527	A	95.4	Very high	95.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-43	178.3	0	0	0	0	0	111.3	F520 F524 R529 N530 V531 F554 P557 F570	F520-A527 HydrophobicContact CE1-CB 4.43Å; F524-A527 HydrophobicContact CB-CB 3.98Å; F524-A527 PolarHBondContact O-N 3.41Å; F524-A527 VanDerWaalsContact O-N 3.08Å; A527-R529 PolarHBondContact O-N 3.22Å; A527-N530 WeakPolarHBondContact O-CB 3.49Å; A527-N530 PolarHBondContact O-N 2.97Å; A527-N530 VanDerWaalsContact O-N 3.16Å; A527-V531 WeakPolarHBondContact O-CG2 3.29Å; A527-V531 PolarHBondContact O-N 3.35Å; A527-F554 HydrophobicContact CB-CE1 4.42Å; A527-F554 HydrophobicContact CB-CZ 3.83Å; A527-P557 HydrophobicContact CB-CG 3.94Å; A527-F570 HydrophobicContact CB-CB 4.09Å; A527-F570 HydrophobicContact CB-CD1 4.02Å; A527-F570 HydrophobicContact CB-CG 4.44Å
528	V	95.6	Very high	95.1	Very high	33 Å²	33	55 Å²	55	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-42.3	175.8	177.4	0	0	0	0	111.4	L516 F520 F524 N530 V531 V532	L516-V528 HydrophobicContact CD1-CG2 4.01Å; F520-V528 HydrophobicContact CD1-CG2 3.7Å; F520-V528 HydrophobicContact CE1-CG2 4.47Å; F524-V528 PolarHBondContact O-N 2.93Å; F524-V528 VanDerWaalsContact O-N 3.09Å; V528-N530 VanDerWaalsContact C-N 3.28Å; V528-N530 PolarHBondContact O-N 3.46Å; V528-V531 PolarHBondContact O-N 2.92Å; V528-V532 WeakPolarHBondContact O-CG2 3.43Å; V528-V532 PolarHBondContact O-N 3.42Å
529	R	95.7	Very high	95.2	Very high	151 Å²	151	51.2 Å²	51.2	57%	0.57	25%	0.251	S	S	*	.	H	α-helix	trans	-59	-40.5	173	-75.3	-171.5	-57.3	-115.2	2.7	112.2	P525 T526 A527 V532 K533	P525-R529 WeakPolarHBondContact O-CG 3.44Å; P525-R529 PolarHBondContact O-N 3.15Å; T526-R529 PolarHBondContact O-N 3.48Å; T526-R529 PolarHBondContact OG1-NH2 2.87Å; A527-R529 PolarHBondContact O-N 3.22Å; R529-V532 PolarHBondContact O-N 2.68Å; R529-K533 VanDerWaalsContact O-CB 3.3Å; R529-K533 WeakPolarHBondContact O-CB 3.33Å; R529-K533 PolarHBondContact O-N 2.84Å
530	N	97.3	Very high	95.3	Very high	14 Å²	14	47.5 Å²	47.5	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-45	177.3	-70.7	-11.7	0	0	0	111.4	T526 A527 V528 V532 K533 N534 L569 F570 E572	T526-N530 VanDerWaalsContact O-CG 3.29Å; T526-N530 PolarHBondContact O-N 3.14Å; A527-N530 WeakPolarHBondContact O-CB 3.49Å; A527-N530 PolarHBondContact O-N 2.97Å; A527-N530 VanDerWaalsContact O-N 3.16Å; V528-N530 VanDerWaalsContact C-N 3.28Å; V528-N530 PolarHBondContact O-N 3.46Å; N530-V532 VanDerWaalsContact C-N 3.35Å; N530-V532 PolarHBondContact O-N 2.9Å; N530-K533 PolarHBondContact O-N 3.15Å; N530-K533 VanDerWaalsContact O-N 3.17Å; N530-N534 VanDerWaalsContact O-CB 3.23Å; N530-N534 WeakPolarHBondContact O-CB 3.44Å; N530-N534 PolarHBondContact O-N 2.75Å; N530-N534 PolarHBondContact O-ND2 3.29Å; N530-N534 VanDerWaalsContact O-ND2 3.15Å; N530-L569 CarbonylContact C-O 2.97Å; N530-F570 WeakPolarHBondContact CB-O 3.48Å; N530-F570 PolarHBondContact ND2-O 2.83Å; N530-E572 PolarHBondContact ND2-N 2.84Å
531	V	97.2	Very high	95.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-49.1	175	171.6	0	0	0	0	110.8	T311 I514 L516 A527 V528 K533 N534 G535 L569 F570	T311-V531 HydrophobicContact CG2-CG1 4.13Å; I514-V531 HydrophobicContact CG2-CG1 3.62Å; L516-V531 HydrophobicContact CD1-CG2 4.47Å; A527-V531 WeakPolarHBondContact O-CG2 3.29Å; A527-V531 PolarHBondContact O-N 3.35Å; V528-V531 PolarHBondContact O-N 2.92Å; V531-K533 VanDerWaalsContact C-N 3.35Å; V531-K533 PolarHBondContact O-N 2.84Å; V531-N534 PolarHBondContact O-N 3.47Å; V531-G535 PolarHBondContact O-N 3.42Å; V531-L569 WeakPolarHBondContact CA-O 3.1Å; V531-L569 HydrophobicContact CG2-CB 4.21Å; V531-L569 VanDerWaalsContact CG2-O 3.26Å; V531-L569 WeakPolarHBondContact CG2-O 3.27Å; V531-L569 PolarHBondContact N-O 3.43Å; V531-F570 HydrophobicContact CG2-CD1 3.81Å; V531-F570 HydrophobicContact CG2-CE1 4.13Å
532	V	96.2	Very high	95.7	Very high	82 Å²	82	44.6 Å²	44.6	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-43.3	177.7	173.4	0	0	0	0	111.4	V528 R529 N530 G535	V528-V532 WeakPolarHBondContact O-CG2 3.43Å; V528-V532 PolarHBondContact O-N 3.42Å; R529-V532 PolarHBondContact O-N 2.68Å; N530-V532 VanDerWaalsContact C-N 3.35Å; N530-V532 PolarHBondContact O-N 2.9Å; V532-G535 PolarHBondContact O-N 3.41Å
533	K	95.6	Very high	95.9	Very high	87 Å²	87	37 Å²	37	38%	0.378	18%	0.181	S	C	.	.	H	α-helix	trans	-65.2	-41.3	177.6	-171.9	171.1	178.8	178.8	0	111.9	R529 N530 V531 G535 N536 E572	R529-K533 VanDerWaalsContact O-CB 3.3Å; R529-K533 WeakPolarHBondContact O-CB 3.33Å; R529-K533 PolarHBondContact O-N 2.84Å; N530-K533 PolarHBondContact O-N 3.15Å; N530-K533 VanDerWaalsContact O-N 3.17Å; V531-K533 VanDerWaalsContact C-N 3.35Å; V531-K533 PolarHBondContact O-N 2.84Å; K533-G535 PolarHBondContact O-N 3.48Å; K533-N536 PolarHBondContact O-N 3.49Å; K533-E572 HydrophobicContact CD-CG 4.26Å; K533-E572 VanDerWaalsContact CE-CD 3.43Å; K533-E572 WeakPolarHBondContact CE-OE1 3.23Å; K533-E572 IonicContact NZ-OE1 3.95Å; K533-E572 PolarHBondContact NZ-OE1 3.37Å; K533-E572 IonicContact NZ-OE2 2.77Å; K533-E572 PolarHBondContact NZ-OE2 3.25Å
534	N	97.1	Very high	96.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-21.4	178.2	-69.2	-22.2	0	0	0	112.7	N530 V531 N536 R537 L569 S571 I573	N530-N534 VanDerWaalsContact O-CB 3.23Å; N530-N534 WeakPolarHBondContact O-CB 3.44Å; N530-N534 PolarHBondContact O-N 2.75Å; N530-N534 PolarHBondContact O-ND2 3.29Å; N530-N534 VanDerWaalsContact O-ND2 3.15Å; V531-N534 PolarHBondContact O-N 3.47Å; N534-N536 PolarHBondContact O-N 3.2Å; N534-R537 PolarHBondContact O-N 3.14Å; N534-L569 HydrophobicContact CB-CD2 4.05Å; N534-L569 PolarHBondContact ND2-O 3.43Å; N534-S571 PolarHBondContact ND2-O 2.96Å; N534-I573 HydrophobicContact CB-CD1 4.25Å; N534-I573 WeakPolarHBondContact OD1-CB 2.99Å; N534-I573 PolarHBondContact OD1-N 3.22Å
535	G	94.8	Very high	96.3	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23	170.7	0	0	0	0	0	114.1	V312 E314 V531 V532 K533	V312-G535 WeakPolarHBondContact O-CA 3.47Å; E314-G535 PolarHBondContact N-O 3Å; V531-G535 PolarHBondContact O-N 3.42Å; V532-G535 PolarHBondContact O-N 3.41Å; K533-G535 PolarHBondContact O-N 3.48Å
536	N	93.6	Very high	96.4	Very high	79 Å²	79	30.6 Å²	30.6	42%	0.422	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	26.9	174.2	-73.3	-71.9	0	0	0	113.5	K156 K533 N534	K156-N536 PolarHBondContact NZ-OD1 3.37Å; K156-N536 VanDerWaalsContact NZ-OD1 3.1Å; K533-N536 PolarHBondContact O-N 3.49Å; N534-N536 PolarHBondContact O-N 3.2Å
537	R	94.3	Very high	96.5	Very high	67 Å²	67	28 Å²	28	25%	0.253	14%	0.135	S	C	.	.	S	Bend	trans	-118.1	155.4	175.9	-62.3	-61.3	-165.6	-166.9	0.4	111.2	M315 N534 T539 I573 A575	M315-R537 VanDerWaalsContact CB-O 3.22Å; M315-R537 WeakPolarHBondContact CB-O 3.41Å; N534-R537 PolarHBondContact O-N 3.14Å; R537-T539 PolarHBondContact O-N 3.3Å; R537-T539 PolarHBondContact O-OG1 3.35Å; R537-I573 HydrophobicContact CB-CB 4.22Å; R537-I573 HydrophobicContact CB-CG2 4.18Å; R537-I573 HydrophobicContact CG-CB 4.42Å; R537-A575 VanDerWaalsContact CZ-CB 3.48Å
538	L	94.6	Very high	96.6	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	14%	0.136	C	C	.	.			trans	-59.1	112.1	173	178.5	63	0	0	0	109.3	C154 N317 R577 A582 I584	C154-L538 HydrophobicContact CB-CB 3.92Å; C154-L538 HydrophobicContact CB-CD2 4Å; C154-L538 HydrophobicContact CB-CG 4.42Å; N317-L538 HydrophobicContact CB-CD1 3.84Å; L538-R577 PolarHBondContact O-NH1 2.83Å; L538-A582 HydrophobicContact CD2-CB 3.88Å; L538-A582 HydrophobicContact CG-CB 4.39Å; L538-I584 HydrophobicContact CD1-CD1 3.99Å; L538-I584 HydrophobicContact CD2-CD1 4.21Å; L538-I584 HydrophobicContact CG-CD1 4.41Å
539	T	97.3	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-125.4	154.1	-179.7	44.3	0	0	0	0	109.8	M315 Y316 N317 R537 D543 L569 I573	M315-T539 PolarHBondContact O-N 3.31Å; Y316-T539 WeakPolarHBondContact CA-O 3.34Å; N317-T539 PolarHBondContact N-O 2.64Å; R537-T539 PolarHBondContact O-N 3.3Å; R537-T539 PolarHBondContact O-OG1 3.35Å; T539-D543 VanDerWaalsContact CA-OD2 3.29Å; T539-D543 WeakPolarHBondContact CA-OD2 3.29Å; T539-L569 HydrophobicContact CG2-CD2 3.8Å; T539-I573 HydrophobicContact CG2-CD1 3.53Å
540	T	96.9	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.			trans	-141.6	165.8	-171.7	63.9	0	0	0	0	110.1	Y316 V319 F542 D543 L544 A582 I584	Y316-T540 VanDerWaalsContact CE2-C 3.42Å; V319-T540 HydrophobicContact CG1-CG2 4.36Å; T540-F542 PolarHBondContact O-N 3.32Å; T540-F542 VanDerWaalsContact O-N 3.12Å; T540-F542 PolarHBondContact OG1-N 3.3Å; T540-D543 PolarHBondContact N-OD2 2.89Å; T540-D543 WeakPolarHBondContact O-CB 3.43Å; T540-D543 PolarHBondContact O-N 3.39Å; T540-D543 PolarHBondContact OG1-OD2 2.89Å; T540-L544 PolarHBondContact O-N 3.4Å; T540-A582 HydrophobicContact CG2-CB 4.02Å; T540-I584 HydrophobicContact CG2-CD1 3.75Å; T540-I584 HydrophobicContact CG2-CG1 4.09Å
541	P	97.9	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-46.7	-34	166.6	-33.6	37.3	0	0	0	115.6	Y316 N317 V319 P329 I330 D543 L544 H545	Y316-P541 HydrophobicContact CE1-CG 4.4Å; Y316-P541 VanDerWaalsContact OH-CA 3.28Å; Y316-P541 WeakPolarHBondContact OH-CA 3.25Å; Y316-P541 WeakPolarHBondContact OH-CD 3.35Å; Y316-P541 VanDerWaalsContact OH-CG 3.26Å; Y316-P541 WeakPolarHBondContact OH-CG 2.98Å; N317-P541 WeakPolarHBondContact O-CD 3.41Å; V319-P541 HydrophobicContact CG1-CG 4.45Å; V319-P541 HydrophobicContact CG2-CG 4.26Å; P329-P541 HydrophobicContact CB-CB 3.44Å; P329-P541 VanDerWaalsContact CB-CB 3.44Å; P329-P541 HydrophobicContact CB-CG 4.46Å; P329-P541 HydrophobicContact CG-CB 4.32Å; I330-P541 HydrophobicContact CG1-CB 3.83Å; P541-D543 VanDerWaalsContact C-N 3.31Å; P541-D543 PolarHBondContact O-N 3.32Å; P541-L544 PolarHBondContact O-N 3.02Å; P541-H545 PolarHBondContact O-N 3.44Å; P541-H545 VanDerWaalsContact O-N 3.15Å
542	F	98	Very high	96.4	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-68.3	-29.2	178.3	-59.7	-67.1	0	0	0	113.1	V319 P329 G333 T335 T540 H545 A546 R565	V319-F542 HydrophobicContact CB-CE2 4.23Å; V319-F542 HydrophobicContact CG1-CD2 4.27Å; V319-F542 HydrophobicContact CG1-CE2 3.84Å; V319-F542 HydrophobicContact CG2-CE2 4.14Å; V319-F542 HydrophobicContact CG2-CZ 4.4Å; P329-F542 HydrophobicContact CB-CD1 3.93Å; P329-F542 HydrophobicContact CB-CE1 3.5Å; P329-F542 HydrophobicContact CB-CE2 4.41Å; P329-F542 HydrophobicContact CB-CZ 3.73Å; P329-F542 HydrophobicContact CG-CE1 3.96Å; P329-F542 HydrophobicContact CG-CZ 3.8Å; G333-F542 WeakPolarHBondContact O-CD1 3.13Å; G333-F542 WeakPolarHBondContact O-CE1 3.33Å; T335-F542 HydrophobicContact CG2-CZ 3.94Å; T540-F542 PolarHBondContact O-N 3.32Å; T540-F542 VanDerWaalsContact O-N 3.12Å; T540-F542 PolarHBondContact OG1-N 3.3Å; F542-H545 PolarHBondContact O-N 2.89Å; F542-A546 PolarHBondContact O-N 3.13Å; F542-R565 HydrophobicContact CB-CG 4.33Å; F542-R565 HydrophobicContact CD1-CG 4.48Å; F542-R565 HydrophobicContact CG-CG 4.22Å
543	D	98	Very high	96.3	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-73.6	-36.4	176.9	-56.8	-55.2	0	0	0	111.1	T539 T540 P541 H545 A546 T547 G566 I567 R577	T539-D543 VanDerWaalsContact CA-OD2 3.29Å; T539-D543 WeakPolarHBondContact CA-OD2 3.29Å; T540-D543 PolarHBondContact N-OD2 2.89Å; T540-D543 WeakPolarHBondContact O-CB 3.43Å; T540-D543 PolarHBondContact O-N 3.39Å; T540-D543 PolarHBondContact OG1-OD2 2.89Å; P541-D543 VanDerWaalsContact C-N 3.31Å; P541-D543 PolarHBondContact O-N 3.32Å; D543-H545 VanDerWaalsContact C-N 3.35Å; D543-A546 PolarHBondContact O-N 3.2Å; D543-T547 WeakPolarHBondContact O-CB 3.24Å; D543-T547 PolarHBondContact O-N 2.95Å; D543-T547 PolarHBondContact O-OG1 3.35Å; D543-G566 WeakPolarHBondContact OD1-CA 3.39Å; D543-I567 WeakPolarHBondContact CB-O 3.42Å; D543-I567 PolarHBondContact OD1-N 2.72Å; D543-R577 IonicContact OD1-CZ 2.9Å; D543-R577 IonicContact OD1-NH1 3.9Å; D543-R577 PolarHBondContact OD1-NH1 3.07Å; D543-R577 IonicContact OD1-NH2 3.71Å; D543-R577 PolarHBondContact OD1-NH2 3.35Å; D543-R577 IonicContact OD2-CZ 3.17Å; D543-R577 IonicContact OD2-NH1 2.69Å; D543-R577 PolarHBondContact OD2-NH1 3.46Å; D543-R577 IonicContact OD2-NH2 2.6Å; D543-R577 PolarHBondContact OD2-NH2 3.15Å; D543-R577 VanDerWaalsContact OD2-NH2 3.09Å
544	L	98	Very high	96.1	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-44.8	171.3	-64.3	-178.1	0	0	0	110.6	L313 Y316 I330 V512 T540 P541 A546 T547 L548 L569	L313-L544 HydrophobicContact CD1-CD2 4.14Å; Y316-L544 HydrophobicContact CE2-CD1 3.78Å; Y316-L544 HydrophobicContact CE2-CG 4.02Å; Y316-L544 WeakPolarHBondContact OH-CD1 3.43Å; I330-L544 HydrophobicContact CD1-CD1 3.93Å; I330-L544 HydrophobicContact CG1-CB 4.41Å; I330-L544 HydrophobicContact CG1-CD1 4.18Å; I330-L544 HydrophobicContact CG2-CB 4.46Å; V512-L544 HydrophobicContact CG1-CD1 4.29Å; V512-L544 HydrophobicContact CG1-CD2 4.46Å; T540-L544 PolarHBondContact O-N 3.4Å; P541-L544 PolarHBondContact O-N 3.02Å; L544-A546 PolarHBondContact O-N 3.42Å; L544-T547 WeakPolarHBondContact O-CB 3.44Å; L544-T547 PolarHBondContact O-N 3.29Å; L544-T547 VanDerWaalsContact O-N 3.17Å; L544-L548 WeakPolarHBondContact O-CG 3.45Å; L544-L548 PolarHBondContact O-N 2.87Å; L544-L569 HydrophobicContact CD2-CD1 3.95Å
545	H	98.2	Very high	95.4	Very high	33 Å²	33	23 Å²	23	15%	0.153	12%	0.119	C	C	.	.	H	α-helix	trans	-58.5	-48.1	175.1	-173.1	76.7	0	0	0	112.4	P329 I330 G333 P541 F542 D543 T547 L548 K549	P329-H545 WeakPolarHBondContact O-CB 3.36Å; I330-H545 WeakPolarHBondContact O-CB 3.18Å; I330-H545 PolarHBondContact O-ND1 3.1Å; G333-H545 PolarHBondContact N-CE1 2.82Å; G333-H545 PolarHBondContact N-ND1 3.25Å; P541-H545 PolarHBondContact O-N 3.44Å; P541-H545 VanDerWaalsContact O-N 3.15Å; F542-H545 PolarHBondContact O-N 2.89Å; D543-H545 VanDerWaalsContact C-N 3.35Å; H545-T547 VanDerWaalsContact C-N 3.25Å; H545-T547 PolarHBondContact O-N 2.84Å; H545-L548 PolarHBondContact O-N 3Å; H545-K549 WeakPolarHBondContact O-CG 3.49Å; H545-K549 PolarHBondContact O-N 2.83Å
546	A	96.9	Very high	94.9	Very high	21 Å²	21	27.1 Å²	27.1	17%	0.174	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-34.3	176.7	0	0	0	0	0	112.6	F542 D543 L544 S550	F542-A546 PolarHBondContact O-N 3.13Å; D543-A546 PolarHBondContact O-N 3.2Å; L544-A546 PolarHBondContact O-N 3.42Å; A546-S550 PolarHBondContact O-N 2.86Å; A546-S550 PolarHBondContact O-OG 3.4Å
547	T	97.3	Very high	94.2	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-67.6	-45.1	175.5	-53.9	0	0	0	0	111.4	D543 L544 H545 K549 S550 L551 L569 F570	D543-T547 WeakPolarHBondContact O-CB 3.24Å; D543-T547 PolarHBondContact O-N 2.95Å; D543-T547 PolarHBondContact O-OG1 3.35Å; L544-T547 WeakPolarHBondContact O-CB 3.44Å; L544-T547 PolarHBondContact O-N 3.29Å; L544-T547 VanDerWaalsContact O-N 3.17Å; H545-T547 VanDerWaalsContact C-N 3.25Å; H545-T547 PolarHBondContact O-N 2.84Å; T547-K549 VanDerWaalsContact C-N 3.32Å; T547-K549 PolarHBondContact O-N 3.28Å; T547-S550 WeakPolarHBondContact O-CB 3.47Å; T547-S550 PolarHBondContact O-N 3.33Å; T547-S550 VanDerWaalsContact O-N 3.11Å; T547-L551 PolarHBondContact O-N 3.16Å; T547-L569 HydrophobicContact CG2-CB 4.07Å; T547-L569 HydrophobicContact CG2-CD1 4.44Å; T547-L569 HydrophobicContact CG2-CG 4.45Å; T547-L569 WeakPolarHBondContact OG1-CB 3.44Å; T547-L569 VanDerWaalsContact OG1-CG 3.3Å; T547-L569 WeakPolarHBondContact OG1-CG 3.31Å; T547-L569 PolarHBondContact OG1-N 3.21Å; T547-F570 HydrophobicContact CG2-CD2 4.04Å; T547-F570 HydrophobicContact CG2-CE2 3.6Å; T547-F570 HydrophobicContact CG2-CZ 4.04Å
548	L	97.6	Very high	93.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-41.5	175.9	-65.4	175.5	0	0	0	111.4	I280 I282 I330 I358 I485 L544 H545 S550 L551	I280-L548 HydrophobicContact CD1-CD2 4.31Å; I280-L548 HydrophobicContact CG2-CD2 3.77Å; I282-L548 HydrophobicContact CD1-CD1 4.18Å; I282-L548 HydrophobicContact CD1-CD2 4.45Å; I330-L548 HydrophobicContact CG2-CD1 4.37Å; I358-L548 HydrophobicContact CD1-CB 3.46Å; I358-L548 VanDerWaalsContact CD1-CB 3.46Å; I358-L548 HydrophobicContact CD1-CD1 4.01Å; I358-L548 HydrophobicContact CD1-CG 4.39Å; I485-L548 HydrophobicContact CD1-CD2 4.4Å; L544-L548 WeakPolarHBondContact O-CG 3.45Å; L544-L548 PolarHBondContact O-N 2.87Å; H545-L548 PolarHBondContact O-N 3Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 2.65Å; L548-L551 HydrophobicContact CD2-CD1 4.4Å; L548-L551 WeakPolarHBondContact O-CB 3.24Å; L548-L551 PolarHBondContact O-N 3.11Å; L548-L551 VanDerWaalsContact O-N 3.14Å
549	K	96.2	Very high	93.5	Very high	78 Å²	78	32.9 Å²	32.9	34%	0.339	18%	0.183	S	C	.	.	H	α-helix	trans	-61.4	-36.6	173.9	-69.9	-72.4	-67.5	-174.7	0	112.5	I358 E361 H545 T547 L551 L552 N553	I358-K549 HydrophobicContact CD1-CD 4.35Å; I358-K549 HydrophobicContact CD1-CG 4.41Å; E361-K549 IonicContact OE1-NZ 3.1Å; E361-K549 PolarHBondContact OE1-NZ 3.33Å; E361-K549 WeakPolarHBondContact OE2-CD 3.4Å; E361-K549 IonicContact OE2-NZ 2.72Å; E361-K549 PolarHBondContact OE2-NZ 2.74Å; H545-K549 WeakPolarHBondContact O-CG 3.49Å; H545-K549 PolarHBondContact O-N 2.83Å; T547-K549 VanDerWaalsContact C-N 3.32Å; T547-K549 PolarHBondContact O-N 3.28Å; K549-L551 PolarHBondContact O-N 3.38Å; K549-L552 PolarHBondContact O-N 2.88Å; K549-N553 PolarHBondContact O-N 3.24Å
550	S	95.4	Very high	93	Very high	13 Å²	13	33.5 Å²	33.5	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-68.4	-20	177	-56.3	0	0	0	0	113.2	A546 T547 L548 L552 N553 F554 S568	A546-S550 PolarHBondContact O-N 2.86Å; A546-S550 PolarHBondContact O-OG 3.4Å; T547-S550 WeakPolarHBondContact O-CB 3.47Å; T547-S550 PolarHBondContact O-N 3.33Å; T547-S550 VanDerWaalsContact O-N 3.11Å; L548-S550 VanDerWaalsContact C-N 3.28Å; L548-S550 PolarHBondContact O-N 2.65Å; S550-L552 PolarHBondContact O-N 3.25Å; S550-N553 CarbonylContact O-C 3.6Å; S550-F554 WeakPolarHBondContact O-CA 3.23Å; S550-F554 PolarHBondContact O-N 3.12Å; S550-S568 WeakPolarHBondContact CB-OG 3.31Å; S550-S568 WeakPolarHBondContact OG-CB 3.45Å; S550-S568 PolarHBondContact OG-OG 3.17Å
551	L	96	Very high	92.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.5	174.3	-65.5	174.9	0	0	0	112.8	F274 L278 I280 V483 T547 L548 K549 F570	F274-L551 HydrophobicContact CZ-CD2 4.47Å; L278-L551 HydrophobicContact CD1-CD2 4.48Å; I280-L551 HydrophobicContact CD1-CD1 3.85Å; I280-L551 HydrophobicContact CG1-CD1 3.83Å; V483-L551 HydrophobicContact CB-CD1 4.27Å; V483-L551 HydrophobicContact CG1-CD1 4.39Å; V483-L551 HydrophobicContact CG2-CD1 4.09Å; V483-L551 HydrophobicContact CG2-CD2 4.06Å; T547-L551 PolarHBondContact O-N 3.16Å; L548-L551 HydrophobicContact CD2-CD1 4.4Å; L548-L551 WeakPolarHBondContact O-CB 3.24Å; L548-L551 PolarHBondContact O-N 3.11Å; L548-L551 VanDerWaalsContact O-N 3.14Å; K549-L551 PolarHBondContact O-N 3.38Å; L551-F570 HydrophobicContact CD2-CE2 3.68Å; L551-F570 HydrophobicContact CD2-CZ 3.74Å; L551-F570 HydrophobicContact CG-CE2 4.2Å
552	L	94.5	Very high	92	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-37.9	176.5	-60.2	178.1	0	0	0	112.2	V271 I272 E361 L362 F365 Y367 K549 S550	V271-L552 WeakPolarHBondContact CA-O 3.47Å; V271-L552 HydrophobicContact CG1-CD2 4.22Å; I272-L552 PolarHBondContact N-O 3.3Å; E361-L552 HydrophobicContact CG-CD1 4.16Å; L362-L552 HydrophobicContact CD2-CD1 4.07Å; L362-L552 HydrophobicContact CD2-CD2 3.78Å; L362-L552 HydrophobicContact CD2-CG 4.22Å; F365-L552 HydrophobicContact CB-CD2 4.22Å; F365-L552 HydrophobicContact CD1-CD2 3.99Å; F365-L552 HydrophobicContact CD2-CD1 3.98Å; F365-L552 HydrophobicContact CD2-CD2 3.86Å; F365-L552 HydrophobicContact CD2-CG 4.44Å; F365-L552 HydrophobicContact CE1-CB 4.29Å; F365-L552 HydrophobicContact CE1-CD2 4.3Å; F365-L552 HydrophobicContact CE2-CB 4.43Å; F365-L552 HydrophobicContact CE2-CD1 3.74Å; F365-L552 HydrophobicContact CE2-CD2 4.21Å; F365-L552 HydrophobicContact CE2-CG 4.35Å; F365-L552 HydrophobicContact CG-CD2 3.75Å; F365-L552 HydrophobicContact CZ-CB 4.11Å; F365-L552 HydrophobicContact CZ-CD1 4.25Å; F365-L552 HydrophobicContact CZ-CD2 4.41Å; F365-L552 HydrophobicContact CZ-CG 4.5Å; Y367-L552 HydrophobicContact CE2-CD2 4.31Å; K549-L552 PolarHBondContact O-N 2.88Å; S550-L552 PolarHBondContact O-N 3.25Å
553	N	93.2	Very high	91.3	Very high	93 Å²	93	40 Å²	40	50%	0.497	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-134.6	97.7	174.2	179.9	16.6	0	0	0	108.5	I272 K549 S550 P555	I272-N553 WeakPolarHBondContact CB-OD1 3.49Å; K549-N553 PolarHBondContact O-N 3.24Å; S550-N553 CarbonylContact O-C 3.6Å; N553-P555 WeakPolarHBondContact O-CD 3.08Å
554	F	92.9	Very high	90.9	Very high	20 Å²	20	43.9 Å²	43.9	9%	0.088	25%	0.248	C	C	.	.			trans	-81.5	105.1	-171.2	-161.7	-98.7	0	0	0	111.1	I272 F274 F520 F524 A527 S550 F570	I272-F554 WeakPolarHBondContact O-CB 3.35Å; I272-F554 PolarHBondContact O-N 2.81Å; F274-F554 HydrophobicContact CD2-CB 4.44Å; F274-F554 HydrophobicContact CE1-CD2 4.5Å; F274-F554 HydrophobicContact CE2-CB 3.74Å; F274-F554 AromaticContact CE2-CD2 3.69Å; F274-F554 HydrophobicContact CE2-CD2 3.69Å; F274-F554 AromaticContact CE2-CG 3.92Å; F274-F554 HydrophobicContact CE2-CG 3.92Å; F274-F554 HydrophobicContact CZ-CB 4.13Å; F274-F554 AromaticContact CZ-CD2 3.39Å; F274-F554 HydrophobicContact CZ-CD2 3.39Å; F274-F554 AromaticContact CZ-CE2 3.86Å; F274-F554 HydrophobicContact CZ-CE2 3.86Å; F274-F554 AromaticContact CZ-CG 3.78Å; F274-F554 HydrophobicContact CZ-CG 3.78Å; F520-F554 HydrophobicContact CE1-CE2 4.33Å; F520-F554 HydrophobicContact CE1-CZ 4.05Å; F520-F554 AromaticContact CZ-CE2 3.73Å; F520-F554 HydrophobicContact CZ-CE2 3.73Å; F520-F554 AromaticContact CZ-CZ 3.84Å; F520-F554 HydrophobicContact CZ-CZ 3.84Å; F524-F554 HydrophobicContact CB-CE1 4.35Å; F524-F554 HydrophobicContact CB-CZ 4.36Å; F524-F554 HydrophobicContact CD1-CD1 4.19Å; F524-F554 AromaticContact CD1-CE1 3.55Å; F524-F554 HydrophobicContact CD1-CE1 3.55Å; F524-F554 HydrophobicContact CD1-CZ 4.29Å; F524-F554 HydrophobicContact CD2-CE1 4.38Å; F524-F554 HydrophobicContact CD2-CZ 4.44Å; F524-F554 AromaticContact CE1-CD1 4Å; F524-F554 HydrophobicContact CE1-CD1 4Å; F524-F554 AromaticContact CE1-CE1 3.83Å; F524-F554 HydrophobicContact CE1-CE1 3.83Å; F524-F554 AromaticContact CG-CE1 3.84Å; F524-F554 HydrophobicContact CG-CE1 3.84Å; F524-F554 HydrophobicContact CG-CZ 4.12Å; F524-F554 HydrophobicContact CZ-CD1 4.39Å; F524-F554 HydrophobicContact CZ-CE1 4.36Å; A527-F554 HydrophobicContact CB-CE1 4.42Å; A527-F554 HydrophobicContact CB-CZ 3.83Å; S550-F554 WeakPolarHBondContact O-CA 3.23Å; S550-F554 PolarHBondContact O-N 3.12Å; F554-F570 HydrophobicContact CD2-CD2 4.24Å; F554-F570 HydrophobicContact CD2-CE2 4.42Å; F554-F570 HydrophobicContact CE2-CB 4.27Å; F554-F570 HydrophobicContact CE2-CD1 4.03Å; F554-F570 AromaticContact CE2-CD2 3.57Å; F554-F570 HydrophobicContact CE2-CD2 3.57Å; F554-F570 HydrophobicContact CE2-CE1 4.24Å; F554-F570 AromaticContact CE2-CE2 3.82Å; F554-F570 HydrophobicContact CE2-CE2 3.82Å; F554-F570 AromaticContact CE2-CG 3.69Å; F554-F570 HydrophobicContact CE2-CG 3.69Å; F554-F570 HydrophobicContact CE2-CZ 4.15Å; F554-F570 HydrophobicContact CZ-CB 4.31Å; F554-F570 HydrophobicContact CZ-CD1 4.24Å; F554-F570 HydrophobicContact CZ-CD2 4.39Å; F554-F570 HydrophobicContact CZ-CG 4.07Å
555	P	82.5	Confident	90.5	Very high	46 Å²	46	45.4 Å²	45.4	30%	0.299	25%	0.254	S	S	.	.			trans	-77.6	159.7	-176.8	34.9	-34.6	0	0	0	111	N553	N553-P555 WeakPolarHBondContact O-CD 3.08Å
556	P	84.3	Confident	90.3	Very high	89 Å²	89	44.9 Å²	44.9	58%	0.578	26%	0.257	S	S	*	.			trans	-56.8	135.7	166.7	23.8	-31.4	0	0	0	110.1	E558	P556-E558 PolarHBondContact O-N 3.22Å; P556-E558 VanDerWaalsContact O-N 3.07Å
557	P	78.9	Confident	90.2	Very high	47 Å²	47	44.3 Å²	44.3	31%	0.305	25%	0.251	S	S	.	.			trans	-64.9	108.8	179.7	-25	36.1	0	0	0	112.3	T526 A527	T526-P557 HydrophobicContact CG2-CB 3.69Å; T526-P557 HydrophobicContact CG2-CG 4.28Å; A527-P557 HydrophobicContact CB-CG 3.94Å
558	E	85.4	Confident	90.2	Very high	130 Å²	130	44.7 Å²	44.7	61%	0.607	25%	0.254	S	S	*	.			trans	-119.8	174.7	-179.5	-69.9	-178.7	-177.3	0	0	112.3	P556 S571 E572	P556-E558 PolarHBondContact O-N 3.22Å; P556-E558 VanDerWaalsContact O-N 3.07Å; E558-S571 CarbonylContact O-C 3.55Å; E558-S571 WeakPolarHBondContact O-CA 3.35Å; E558-S571 WeakPolarHBondContact O-CB 3.39Å; E558-E572 PolarHBondContact O-N 2.84Å
559	V	88.2	Confident	90.2	Very high	97 Å²	97	44.6 Å²	44.6	59%	0.588	25%	0.253	S	S	*	.	B	Isolated β-bridge	trans	-77.5	126.3	168.3	179.5	0	0	0	0	108.6	E572 P574	V559-E572 HydrophobicContact CG2-CB 4.49Å; V559-P574 HydrophobicContact CG1-CG 3.96Å
560	G	86.5	Confident	90.2	Very high	13 Å²	13	41 Å²	41	13%	0.134	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.5	146.1	-177.5	0	0	0	0	0	113.7	E572 P574	G560-E572 PolarHBondContact N-O 3.11Å; G560-P574 WeakPolarHBondContact O-CG 3.49Å
561	D	86	Confident	90.3	Very high	85 Å²	85	41.1 Å²	41.1	46%	0.455	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-79.5	124.8	176	-179.8	5.6	0	0	0	111.6	S563 N564	D561-S563 PolarHBondContact O-N 3.5Å; D561-S563 WeakPolarHBondContact OD1-CB 3.45Å; D561-S563 PolarHBondContact OD1-N 2.8Å; D561-S563 PolarHBondContact OD1-OG 3.23Å; D561-S563 WeakPolarHBondContact OD2-CB 3.4Å; D561-S563 PolarHBondContact OD2-OG 3.41Å; D561-N564 WeakPolarHBondContact O-CB 3.25Å; D561-N564 PolarHBondContact O-N 3.37Å
562	L	86.9	Confident	90.3	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.079	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.8	177.3	-69	-179	0	0	0	114.1	N564 P574 R577 N581	L562-N564 PolarHBondContact O-N 2.99Å; L562-P574 HydrophobicContact CD1-CB 4.47Å; L562-P574 HydrophobicContact CD2-CB 3.97Å; L562-P574 HydrophobicContact CD2-CG 3.83Å; L562-P574 HydrophobicContact CG-CB 4.26Å; L562-P574 HydrophobicContact CG-CG 4.04Å; L562-R577 HydrophobicContact CD2-CB 3.69Å; L562-R577 HydrophobicContact CD2-CG 3.94Å; L562-N581 HydrophobicContact CD2-CB 4.38Å
563	S	83.7	Confident	90.3	Very high	41 Å²	41	42.8 Å²	42.8	29%	0.287	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.2	168.7	89	0	0	0	0	112.3	K147 D561	K147-S563 WeakPolarHBondContact CD-O 3.35Å; K147-S563 WeakPolarHBondContact CE-O 3.35Å; K147-S563 PolarHBondContact NZ-O 3.41Å; D561-S563 PolarHBondContact O-N 3.5Å; D561-S563 WeakPolarHBondContact OD1-CB 3.45Å; D561-S563 PolarHBondContact OD1-N 2.8Å; D561-S563 PolarHBondContact OD1-OG 3.23Å; D561-S563 WeakPolarHBondContact OD2-CB 3.4Å; D561-S563 PolarHBondContact OD2-OG 3.41Å
564	N	89.6	Confident	90.2	Very high	82 Å²	82	39.2 Å²	39.2	44%	0.439	23%	0.228	S	C	.	.			trans	-94.9	128.9	178.7	-67.6	-42.7	0	0	0	111.2	D561 L562 G566	D561-N564 WeakPolarHBondContact O-CB 3.25Å; D561-N564 PolarHBondContact O-N 3.37Å; L562-N564 PolarHBondContact O-N 2.99Å; N564-G566 VanDerWaalsContact C-N 3.28Å; N564-G566 PolarHBondContact O-N 3.2Å
565	R	90.1	Very high	89.8	Confident	38 Å²	38	40.9 Å²	40.9	14%	0.143	25%	0.245	C	C	.	.	S	Bend	trans	-69.1	-27.4	178	75.2	-169.2	-69.4	-164.5	18.5	112.5	G333 E338 F542 R577 D583	G333-R565 PolarHBondContact O-NH1 3.03Å; E338-R565 IonicContact OE1-NH1 3.65Å; E338-R565 PolarHBondContact OE1-NH1 2.89Å; E338-R565 IonicContact OE2-CZ 3.01Å; E338-R565 IonicContact OE2-NH1 3.8Å; E338-R565 PolarHBondContact OE2-NH1 2.97Å; E338-R565 IonicContact OE2-NH2 3.92Å; F542-R565 HydrophobicContact CB-CG 4.33Å; F542-R565 HydrophobicContact CD1-CG 4.48Å; F542-R565 HydrophobicContact CG-CG 4.22Å; R565-R577 PolarHBondContact O-NH2 2.85Å; R565-D583 HydrophobicContact CB-CB 4.06Å; R565-D583 IonicContact CZ-OD2 3.74Å; R565-D583 VanDerWaalsContact CZ-OD2 3.24Å; R565-D583 IonicContact NE-OD2 3.95Å; R565-D583 PolarHBondContact NE-OD2 2.7Å; R565-D583 IonicContact NH2-OD2 2.77Å; R565-D583 PolarHBondContact NH2-OD2 3.03Å
566	G	93.7	Very high	89.9	Confident	22 Å²	22	41.1 Å²	41.1	23%	0.227	25%	0.248	C	C	.	.			trans	-121	127.4	178.5	0	0	0	0	0	110.3	D543 N564	D543-G566 WeakPolarHBondContact OD1-CA 3.39Å; N564-G566 VanDerWaalsContact C-N 3.28Å; N564-G566 PolarHBondContact O-N 3.2Å
567	I	95.8	Very high	90.1	Very high	9 Å²	9	37 Å²	37	5%	0.046	22%	0.221	C	C	.	.			trans	-123	129.1	178	-61.7	170.1	0	0	0	107.3	D543 I573	D543-I567 WeakPolarHBondContact CB-O 3.42Å; D543-I567 PolarHBondContact OD1-N 2.72Å; I567-I573 HydrophobicContact CB-CG1 4.08Å; I567-I573 HydrophobicContact CG2-CG1 3.81Å
568	S	96.7	Very high	90.4	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.07	21%	0.212	C	C	.	.			trans	-57.8	138.1	177.4	-178.1	0	0	0	0	111.4	S550 F570 S571	S550-S568 WeakPolarHBondContact CB-OG 3.31Å; S550-S568 WeakPolarHBondContact OG-CB 3.45Å; S550-S568 PolarHBondContact OG-OG 3.17Å; S568-F570 PolarHBondContact O-N 2.83Å; S568-F570 VanDerWaalsContact O-N 3.16Å; S568-F570 PolarHBondContact OG-N 2.67Å; S568-S571 PolarHBondContact O-N 3.17Å
569	L	97.3	Very high	90.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.3	176.6	-66.4	176.1	0	0	0	112.8	L313 I514 N530 V531 N534 T539 L544 T547 S571 I573	L313-L569 HydrophobicContact CD1-CD1 3.98Å; L313-L569 HydrophobicContact CD1-CD2 4.39Å; L313-L569 HydrophobicContact CD2-CD1 4.35Å; L313-L569 HydrophobicContact CD2-CD2 4.28Å; I514-L569 HydrophobicContact CD1-CD1 4.46Å; N530-L569 CarbonylContact C-O 2.97Å; V531-L569 WeakPolarHBondContact CA-O 3.1Å; V531-L569 HydrophobicContact CG2-CB 4.21Å; V531-L569 VanDerWaalsContact CG2-O 3.26Å; V531-L569 WeakPolarHBondContact CG2-O 3.27Å; V531-L569 PolarHBondContact N-O 3.43Å; N534-L569 HydrophobicContact CB-CD2 4.05Å; N534-L569 PolarHBondContact ND2-O 3.43Å; T539-L569 HydrophobicContact CG2-CD2 3.8Å; L544-L569 HydrophobicContact CD2-CD1 3.95Å; T547-L569 HydrophobicContact CG2-CB 4.07Å; T547-L569 HydrophobicContact CG2-CD1 4.44Å; T547-L569 HydrophobicContact CG2-CG 4.45Å; T547-L569 WeakPolarHBondContact OG1-CB 3.44Å; T547-L569 VanDerWaalsContact OG1-CG 3.3Å; T547-L569 WeakPolarHBondContact OG1-CG 3.31Å; T547-L569 PolarHBondContact OG1-N 3.21Å; L569-S571 VanDerWaalsContact C-N 3.31Å; L569-I573 HydrophobicContact CD2-CD1 4.18Å
570	F	96.9	Very high	90	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-18	172.9	-57.7	-56.2	0	0	0	113.1	L516 F520 A527 N530 V531 T547 L551 F554 S568	L516-F570 HydrophobicContact CD2-CE1 4.16Å; L516-F570 HydrophobicContact CD2-CZ 4.45Å; F520-F570 HydrophobicContact CE1-CD1 4.26Å; F520-F570 AromaticContact CE1-CE1 3.85Å; F520-F570 HydrophobicContact CE1-CE1 3.85Å; F520-F570 HydrophobicContact CZ-CD1 4.47Å; F520-F570 AromaticContact CZ-CE1 3.82Å; F520-F570 HydrophobicContact CZ-CE1 3.82Å; F520-F570 HydrophobicContact CZ-CZ 4.11Å; A527-F570 HydrophobicContact CB-CB 4.09Å; A527-F570 HydrophobicContact CB-CD1 4.02Å; A527-F570 HydrophobicContact CB-CG 4.44Å; N530-F570 WeakPolarHBondContact CB-O 3.48Å; N530-F570 PolarHBondContact ND2-O 2.83Å; V531-F570 HydrophobicContact CG2-CD1 3.81Å; V531-F570 HydrophobicContact CG2-CE1 4.13Å; T547-F570 HydrophobicContact CG2-CD2 4.04Å; T547-F570 HydrophobicContact CG2-CE2 3.6Å; T547-F570 HydrophobicContact CG2-CZ 4.04Å; L551-F570 HydrophobicContact CD2-CE2 3.68Å; L551-F570 HydrophobicContact CD2-CZ 3.74Å; L551-F570 HydrophobicContact CG-CE2 4.2Å; F554-F570 HydrophobicContact CD2-CD2 4.24Å; F554-F570 HydrophobicContact CD2-CE2 4.42Å; F554-F570 HydrophobicContact CE2-CB 4.27Å; F554-F570 HydrophobicContact CE2-CD1 4.03Å; F554-F570 AromaticContact CE2-CD2 3.57Å; F554-F570 HydrophobicContact CE2-CD2 3.57Å; F554-F570 HydrophobicContact CE2-CE1 4.24Å; F554-F570 AromaticContact CE2-CE2 3.82Å; F554-F570 HydrophobicContact CE2-CE2 3.82Å; F554-F570 AromaticContact CE2-CG 3.69Å; F554-F570 HydrophobicContact CE2-CG 3.69Å; F554-F570 HydrophobicContact CE2-CZ 4.15Å; F554-F570 HydrophobicContact CZ-CB 4.31Å; F554-F570 HydrophobicContact CZ-CD1 4.24Å; F554-F570 HydrophobicContact CZ-CD2 4.39Å; F554-F570 HydrophobicContact CZ-CG 4.07Å; S568-F570 PolarHBondContact O-N 2.83Å; S568-F570 VanDerWaalsContact O-N 3.16Å; S568-F570 PolarHBondContact OG-N 2.67Å
571	S	96.6	Very high	89.9	Confident	16 Å²	16	29.5 Å²	29.5	11%	0.112	19%	0.188	C	C	.	.	S	Bend	trans	-96	153.3	171.7	-64.1	0	0	0	0	110.4	N534 E558 S568 L569 I573	N534-S571 PolarHBondContact ND2-O 2.96Å; E558-S571 CarbonylContact O-C 3.55Å; E558-S571 WeakPolarHBondContact O-CA 3.35Å; E558-S571 WeakPolarHBondContact O-CB 3.39Å; S568-S571 PolarHBondContact O-N 3.17Å; L569-S571 VanDerWaalsContact C-N 3.31Å; S571-I573 PolarHBondContact O-N 2.95Å
572	E	96	Very high	90.1	Very high	44 Å²	44	25.5 Å²	25.5	21%	0.206	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-73.3	120.1	176.2	178.3	173.9	162.1	0	0	110.3	N530 K533 E558 V559 G560 P574	N530-E572 PolarHBondContact ND2-N 2.84Å; K533-E572 HydrophobicContact CD-CG 4.26Å; K533-E572 VanDerWaalsContact CE-CD 3.43Å; K533-E572 WeakPolarHBondContact CE-OE1 3.23Å; K533-E572 IonicContact NZ-OE1 3.95Å; K533-E572 PolarHBondContact NZ-OE1 3.37Å; K533-E572 IonicContact NZ-OE2 2.77Å; K533-E572 PolarHBondContact NZ-OE2 3.25Å; E558-E572 PolarHBondContact O-N 2.84Å; V559-E572 HydrophobicContact CG2-CB 4.49Å; G560-E572 PolarHBondContact N-O 3.11Å; E572-P574 WeakPolarHBondContact O-CD 3.44Å
573	I	95.4	Very high	90	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-75.5	123.3	171.6	-63.2	174.1	0	0	0	108.8	N534 R537 T539 I567 L569 S571 R577	N534-I573 HydrophobicContact CB-CD1 4.25Å; N534-I573 WeakPolarHBondContact OD1-CB 2.99Å; N534-I573 PolarHBondContact OD1-N 3.22Å; R537-I573 HydrophobicContact CB-CB 4.22Å; R537-I573 HydrophobicContact CB-CG2 4.18Å; R537-I573 HydrophobicContact CG-CB 4.42Å; T539-I573 HydrophobicContact CG2-CD1 3.53Å; I567-I573 HydrophobicContact CB-CG1 4.08Å; I567-I573 HydrophobicContact CG2-CG1 3.81Å; L569-I573 HydrophobicContact CD2-CD1 4.18Å; S571-I573 PolarHBondContact O-N 2.95Å; I573-R577 HydrophobicContact CG2-CB 4.37Å
574	P	90.8	Very high	90.1	Very high	17 Å²	17	26.4 Å²	26.4	11%	0.11	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-58.6	140	-177.6	-24.8	33.2	0	0	0	113.3	V559 G560 L562 E572 S576 R577	V559-P574 HydrophobicContact CG1-CG 3.96Å; G560-P574 WeakPolarHBondContact O-CG 3.49Å; L562-P574 HydrophobicContact CD1-CB 4.47Å; L562-P574 HydrophobicContact CD2-CB 3.97Å; L562-P574 HydrophobicContact CD2-CG 3.83Å; L562-P574 HydrophobicContact CG-CB 4.26Å; L562-P574 HydrophobicContact CG-CG 4.04Å; E572-P574 WeakPolarHBondContact O-CD 3.44Å; P574-S576 PolarHBondContact O-N 3.04Å; P574-R577 WeakPolarHBondContact O-CB 3.39Å; P574-R577 PolarHBondContact O-N 2.9Å; P574-R577 VanDerWaalsContact O-N 3.11Å
575	A	85	Confident	89.5	Confident	56 Å²	56	23.5 Å²	23.5	46%	0.463	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.4	176.3	0	0	0	0	0	113.7	R537 R577	R537-A575 VanDerWaalsContact CZ-CB 3.48Å; A575-R577 VanDerWaalsContact C-N 3.31Å
576	S	83.7	Confident	88.7	Confident	51 Å²	51	24 Å²	24	36%	0.357	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.3	180	45.7	0	0	0	0	113.7	G151 T152 G153 P574 D578	G151-S576 CarbonylContact C-O 3.54Å; G151-S576 WeakPolarHBondContact CA-O 3.46Å; T152-S576 PolarHBondContact N-O 2.85Å; G153-S576 WeakPolarHBondContact CA-O 3.36Å; G153-S576 PolarHBondContact N-O 2.66Å; P574-S576 PolarHBondContact O-N 3.04Å; S576-D578 PolarHBondContact O-N 3.43Å
577	R	88.7	Confident	88.1	Confident	3 Å²	3	23 Å²	23	1%	0.011	15%	0.154	C	C	.	.			trans	-60.9	126.7	178.2	-169.3	-179.8	-175.8	-167.6	11.2	111	G153 C154 L538 D543 L562 R565 I573 P574 A575 N581 A582	G153-R577 CarbonylContact C-O 3.53Å; G153-R577 WeakPolarHBondContact CA-O 3.47Å; C154-R577 PolarHBondContact N-O 3.21Å; L538-R577 PolarHBondContact O-NH1 2.83Å; D543-R577 IonicContact OD1-CZ 2.9Å; D543-R577 IonicContact OD1-NH1 3.9Å; D543-R577 PolarHBondContact OD1-NH1 3.07Å; D543-R577 IonicContact OD1-NH2 3.71Å; D543-R577 PolarHBondContact OD1-NH2 3.35Å; D543-R577 IonicContact OD2-CZ 3.17Å; D543-R577 IonicContact OD2-NH1 2.69Å; D543-R577 PolarHBondContact OD2-NH1 3.46Å; D543-R577 IonicContact OD2-NH2 2.6Å; D543-R577 PolarHBondContact OD2-NH2 3.15Å; D543-R577 VanDerWaalsContact OD2-NH2 3.09Å; L562-R577 HydrophobicContact CD2-CB 3.69Å; L562-R577 HydrophobicContact CD2-CG 3.94Å; R565-R577 PolarHBondContact O-NH2 2.85Å; I573-R577 HydrophobicContact CG2-CB 4.37Å; P574-R577 WeakPolarHBondContact O-CB 3.39Å; P574-R577 PolarHBondContact O-N 2.9Å; P574-R577 VanDerWaalsContact O-N 3.11Å; A575-R577 VanDerWaalsContact C-N 3.31Å; R577-N581 HydrophobicContact CG-CB 4.09Å; R577-A582 HydrophobicContact CG-CB 4.49Å
578	D	84.6	Confident	87.5	Confident	21 Å²	21	23.5 Å²	23.5	11%	0.112	16%	0.155	C	C	.	.			trans	-115.7	179.9	173	65	33.9	0	0	0	112.4	T152 S576 A580 N581 A582	T152-D578 PolarHBondContact N-OD2 3.01Å; T152-D578 PolarHBondContact OG1-OD2 2.99Å; S576-D578 PolarHBondContact O-N 3.43Å; D578-A580 PolarHBondContact O-N 2.89Å; D578-A580 WeakPolarHBondContact OD1-CA 3.47Å; D578-A580 WeakPolarHBondContact OD1-CB 3.32Å; D578-A580 PolarHBondContact OD1-N 2.81Å; D578-N581 PolarHBondContact N-OD1 2.94Å; D578-N581 PolarHBondContact O-N 2.65Å; D578-N581 PolarHBondContact OD1-N 2.81Å; D578-N581 PolarHBondContact OD1-OD1 3.34Å; D578-N581 VanDerWaalsContact OD1-OD1 3.14Å; D578-A582 WeakPolarHBondContact O-CB 3.49Å; D578-A582 PolarHBondContact O-N 3.42Å
579	C	85.4	Confident	87	Confident	12 Å²	12	23.2 Å²	23.2	8%	0.081	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.7	-179.9	-76	0	0	0	0	113.2	D583 I584 C589 C591	C579-D583 PolarHBondContact O-N 3.21Å; C579-D583 VanDerWaalsContact O-N 3.13Å; C579-I584 HydrophobicContact CB-CB 3.98Å; C579-I584 HydrophobicContact CB-CD1 4.49Å; C579-I584 PolarHBondContact O-N 2.77Å; C579-C589 HydrophobicContact CB-CB 3.78Å; C579-C589 WeakPolarHBondContact CB-SG 3.48Å; C579-C589 WeakPolarHBondContact SG-CB 3.22Å; C579-C589 CovalentContact SG-SG 2.03Å; C579-C589 PolarHBondContact SG-SG 2.91Å; C579-C591 PolarHBondContact SG-SG 2.93Å
580	A	80.8	Confident	86.4	Confident	81 Å²	81	23.6 Å²	23.6	67%	0.669	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-42.7	178.4	0	0	0	0	0	110.9	D578 A582 D583	D578-A580 PolarHBondContact O-N 2.89Å; D578-A580 WeakPolarHBondContact OD1-CA 3.47Å; D578-A580 WeakPolarHBondContact OD1-CB 3.32Å; D578-A580 PolarHBondContact OD1-N 2.81Å; A580-A582 VanDerWaalsContact C-N 3.27Å; A580-A582 PolarHBondContact O-N 3.16Å; A580-D583 PolarHBondContact O-N 3.39Å; A580-D583 VanDerWaalsContact O-N 3.16Å
581	N	84.5	Confident	85.5	Confident	15 Å²	15	24.9 Å²	24.9	8%	0.08	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-35.4	173.6	-52.6	126.9	0	0	0	112	S148 G151 L562 R577 D578 D583	S148-N581 PolarHBondContact O-ND2 3.43Å; S148-N581 VanDerWaalsContact O-ND2 3.1Å; G151-N581 WeakPolarHBondContact CA-OD1 3.46Å; L562-N581 HydrophobicContact CD2-CB 4.38Å; R577-N581 HydrophobicContact CG-CB 4.09Å; D578-N581 PolarHBondContact N-OD1 2.94Å; D578-N581 PolarHBondContact O-N 2.65Å; D578-N581 PolarHBondContact OD1-N 2.81Å; D578-N581 PolarHBondContact OD1-OD1 3.34Å; D578-N581 VanDerWaalsContact OD1-OD1 3.14Å; N581-D583 PolarHBondContact O-N 3.14Å
582	A	89.9	Confident	84.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.2	177.4	0	0	0	0	0	114	L538 T540 R577 D578 A580 I584	L538-A582 HydrophobicContact CD2-CB 3.88Å; L538-A582 HydrophobicContact CG-CB 4.39Å; T540-A582 HydrophobicContact CG2-CB 4.02Å; R577-A582 HydrophobicContact CG-CB 4.49Å; D578-A582 WeakPolarHBondContact O-CB 3.49Å; D578-A582 PolarHBondContact O-N 3.42Å; A580-A582 VanDerWaalsContact C-N 3.27Å; A580-A582 PolarHBondContact O-N 3.16Å; A582-I584 HydrophobicContact CB-CD1 3.84Å; A582-I584 HydrophobicContact CB-CG1 3.93Å; A582-I584 PolarHBondContact O-N 2.76Å
583	D	85.8	Confident	82.9	Confident	68 Å²	68	29.3 Å²	29.3	36%	0.364	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	43.3	-178.9	-162.8	36.6	0	0	0	114.4	R565 C579 A580 N581	R565-D583 HydrophobicContact CB-CB 4.06Å; R565-D583 IonicContact CZ-OD2 3.74Å; R565-D583 VanDerWaalsContact CZ-OD2 3.24Å; R565-D583 IonicContact NE-OD2 3.95Å; R565-D583 PolarHBondContact NE-OD2 2.7Å; R565-D583 IonicContact NH2-OD2 2.77Å; R565-D583 PolarHBondContact NH2-OD2 3.03Å; C579-D583 PolarHBondContact O-N 3.21Å; C579-D583 VanDerWaalsContact O-N 3.13Å; A580-D583 PolarHBondContact O-N 3.39Å; A580-D583 VanDerWaalsContact O-N 3.16Å; N581-D583 PolarHBondContact O-N 3.14Å
584	I	85	Confident	81.8	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.041	20%	0.203	C	C	.	.			trans	-104.8	120	177.5	-50.4	172.1	0	0	0	108.6	N317 V319 L538 T540 C579 A582 W588 C589	N317-I584 HydrophobicContact CB-CD1 3.97Å; V319-I584 HydrophobicContact CG1-CG1 4.3Å; L538-I584 HydrophobicContact CD1-CD1 3.99Å; L538-I584 HydrophobicContact CD2-CD1 4.21Å; L538-I584 HydrophobicContact CG-CD1 4.41Å; T540-I584 HydrophobicContact CG2-CD1 3.75Å; T540-I584 HydrophobicContact CG2-CG1 4.09Å; C579-I584 HydrophobicContact CB-CB 3.98Å; C579-I584 HydrophobicContact CB-CD1 4.49Å; C579-I584 PolarHBondContact O-N 2.77Å; A582-I584 HydrophobicContact CB-CD1 3.84Å; A582-I584 HydrophobicContact CB-CG1 3.93Å; A582-I584 PolarHBondContact O-N 2.76Å; I584-W588 HydrophobicContact CG2-CB 3.93Å; I584-C589 HydrophobicContact CG2-CB 4.24Å
585	A	76.3	Confident	81	Confident	20 Å²	20	33 Å²	33	17%	0.165	21%	0.209	C	C	.	.			trans	-60.4	147	176.3	0	0	0	0	0	111.4	H587 W588 C589	A585-H587 PolarHBondContact O-N 3.05Å; A585-W588 PolarHBondContact O-N 2.85Å; A585-C589 PolarHBondContact O-N 3.39Å; A585-C589 VanDerWaalsContact O-N 3.13Å
586	P	74.7	Confident	80.9	Confident	50 Å²	50	37 Å²	37	33%	0.325	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.6	179.4	-29.3	35.9	0	0	0	114	W588 L592 L691	P586-W588 VanDerWaalsContact C-N 3.31Å; P586-W588 PolarHBondContact O-N 2.7Å; P586-L592 HydrophobicContact CB-CD1 4.24Å; P586-L592 WeakPolarHBondContact O-CD1 3.13Å; P586-L691 HydrophobicContact CB-CD2 4.46Å; P586-L691 HydrophobicContact CG-CD2 4.3Å
587	H	80.5	Confident	80.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.4	176.3	-171.5	79.8	0	0	0	113.6	R508 A585 T689 S705 S707	R508-H587 VanDerWaalsContact CZ-O 3.28Å; R508-H587 PolarHBondContact NH2-O 2.75Å; A585-H587 PolarHBondContact O-N 3.05Å; H587-T689 PolarHBondContact ND1-OG1 3.49Å; H587-S705 PolarHBondContact ND1-O 2.84Å; H587-S707 PolarHBondContact NE2-OG 3.17Å
588	W	83.7	Confident	80.5	Confident	19 Å²	19	39.7 Å²	39.7	7%	0.072	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-9.9	-176.9	-57.6	118.2	0	0	0	113.9	N317 I318 D321 I584 A585 P586 S590 S707	N317-W588 PolarHBondContact ND2-O 2.78Å; I318-W588 HydrophobicContact CD1-CE3 3.79Å; I318-W588 HydrophobicContact CD1-CZ3 4.13Å; I318-W588 HydrophobicContact CG1-CE3 4.31Å; D321-W588 HydrophobicContact CB-CH2 3.46Å; D321-W588 VanDerWaalsContact CB-CH2 3.46Å; D321-W588 HydrophobicContact CB-CZ2 3.57Å; D321-W588 HydrophobicContact CB-CZ3 4.46Å; I584-W588 HydrophobicContact CG2-CB 3.93Å; A585-W588 PolarHBondContact O-N 2.85Å; P586-W588 VanDerWaalsContact C-N 3.31Å; P586-W588 PolarHBondContact O-N 2.7Å; W588-S590 PolarHBondContact O-N 3.1Å; W588-S707 WeakPolarHBondContact CH2-OG 3.4Å
589	C	85.9	Confident	80.6	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.027	24%	0.24	C	C	.	.			trans	-70.2	115	-175.9	-178.7	0	0	0	0	112.3	C579 I584 A585 C591 L592	C579-C589 HydrophobicContact CB-CB 3.78Å; C579-C589 WeakPolarHBondContact CB-SG 3.48Å; C579-C589 WeakPolarHBondContact SG-CB 3.22Å; C579-C589 CovalentContact SG-SG 2.03Å; C579-C589 PolarHBondContact SG-SG 2.91Å; I584-C589 HydrophobicContact CG2-CB 4.24Å; A585-C589 PolarHBondContact O-N 3.39Å; A585-C589 VanDerWaalsContact O-N 3.13Å; C589-C591 VanDerWaalsContact C-N 3.28Å; C589-L592 HydrophobicContact CB-CD1 4.11Å; C589-L592 HydrophobicContact CB-CG 3.95Å
590	S	84.8	Confident	80.4	Confident	8 Å²	8	46.1 Å²	46.1	6%	0.056	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.4	173.6	69.8	0	0	0	0	113.6	N317 N509 W588 L592	N317-S590 WeakPolarHBondContact OD1-CB 3.46Å; N317-S590 PolarHBondContact OD1-N 3.35Å; N317-S590 PolarHBondContact OD1-OG 2.98Å; N509-S590 PolarHBondContact ND2-OG 3.37Å; W588-S590 PolarHBondContact O-N 3.1Å; S590-L592 VanDerWaalsContact C-N 3.27Å; S590-L592 PolarHBondContact O-N 2.92Å
591	C	78.1	Confident	80.4	Confident	29 Å²	29	43.5 Å²	43.5	20%	0.196	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.1	178.5	-45.9	0	0	0	0	113.5	C154 C579 C589	C154-C591 HydrophobicContact CB-CB 3.92Å; C154-C591 WeakPolarHBondContact CB-SG 3.42Å; C154-C591 WeakPolarHBondContact SG-CB 3.41Å; C154-C591 CovalentContact SG-SG 2.03Å; C154-C591 PolarHBondContact SG-SG 3.37Å; C579-C591 PolarHBondContact SG-SG 2.93Å; C589-C591 VanDerWaalsContact C-N 3.28Å
592	L	69	Low	80.2	Confident	53 Å²	53	45.6 Å²	45.6	28%	0.277	26%	0.255	S	S	.	.			trans	-76.9	140.8	-175.7	-64.5	-178.5	0	0	0	112.9	P586 C589 S590 W594	P586-L592 HydrophobicContact CB-CD1 4.24Å; P586-L592 WeakPolarHBondContact O-CD1 3.13Å; C589-L592 HydrophobicContact CB-CD1 4.11Å; C589-L592 HydrophobicContact CB-CG 3.95Å; S590-L592 VanDerWaalsContact C-N 3.27Å; S590-L592 PolarHBondContact O-N 2.92Å; L592-W594 HydrophobicContact CB-CZ2 4.2Å; L592-W594 HydrophobicContact CD1-CH2 4.13Å; L592-W594 HydrophobicContact CD1-CZ2 3.61Å
593	S	68.3	Low	80	Confident	99 Å²	99	48.2 Å²	48.2	69%	0.692	27%	0.268	S	S	*	.			trans	-100.8	112.5	175.2	-165.5	0	0	0	0	110.9
594	W	71.8	Confident	80.2	Confident	42 Å²	42	45 Å²	45	16%	0.159	25%	0.251	C	S	.	.			trans	-95.7	129.7	-175.8	-60.3	93.5	0	0	0	112.2	L592 Y638 S640 R674 T689	L592-W594 HydrophobicContact CB-CZ2 4.2Å; L592-W594 HydrophobicContact CD1-CH2 4.13Å; L592-W594 HydrophobicContact CD1-CZ2 3.61Å; W594-Y638 HydrophobicContact CB-CD1 4.27Å; W594-Y638 HydrophobicContact CB-CG 4.49Å; W594-S640 VanDerWaalsContact CE3-CB 3.43Å; W594-R674 HydrophobicContact CE3-CB 3.86Å; W594-R674 HydrophobicContact CH2-CB 3.8Å; W594-R674 HydrophobicContact CZ3-CB 3.39Å; W594-T689 HydrophobicContact CH2-CG2 3.96Å
595	K	74.8	Confident	80.4	Confident	53 Å²	53	45.3 Å²	45.3	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.7	171	-177.9	175.3	174.7	175.6	0	110.2	Y638 V639 K1278	K595-Y638 CarbonylContact O-C 3.38Å; K595-Y638 WeakPolarHBondContact O-CA 3.38Å; K595-Y638 WeakPolarHBondContact O-CB 3.31Å; K595-V639 HydrophobicContact CB-CG1 4.32Å; K595-V639 PolarHBondContact N-O 3.03Å; K595-V639 PolarHBondContact O-N 3.02Å; K595-K1278 WeakPolarHBondContact CE-O 3.42Å; K595-K1278 PolarHBondContact NZ-O 3Å
596	K	82.4	Confident	81	Confident	141 Å²	141	44.8 Å²	44.8	61%	0.613	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.7	177.6	-166.7	172.1	-176.9	175	0	110.4	Y638	K596-Y638 VanDerWaalsContact CA-CD1 3.49Å; K596-Y638 HydrophobicContact CB-CD1 3.95Å; K596-Y638 HydrophobicContact CB-CE1 3.78Å; K596-Y638 HydrophobicContact CD-CE1 4.44Å; K596-Y638 HydrophobicContact CG-CD1 4.36Å; K596-Y638 HydrophobicContact CG-CE1 3.93Å
597	L	81.3	Confident	81.8	Confident	35 Å²	35	42.4 Å²	42.4	18%	0.183	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	151.1	173.3	-70.2	178.5	0	0	0	110.1	A637 V639 Y673	L597-A637 HydrophobicContact CB-CB 3.97Å; L597-A637 PolarHBondContact N-O 3.33Å; L597-V639 HydrophobicContact CD1-CB 3.8Å; L597-V639 HydrophobicContact CD1-CG1 4.01Å; L597-V639 HydrophobicContact CD2-CG1 3.92Å; L597-V639 HydrophobicContact CG-CB 4.22Å; L597-V639 HydrophobicContact CG-CG1 3.94Å; L597-Y673 HydrophobicContact CD1-CD1 3.9Å; L597-Y673 HydrophobicContact CD1-CE1 3.92Å
598	P	83.4	Confident	82.3	Confident	75 Å²	75	42.3 Å²	42.3	49%	0.487	23%	0.231	S	C	.	.			trans	-61.1	138.2	169.9	-18.6	31.3	0	0	0	111.1	D600 A601 S604	P598-D600 VanDerWaalsContact C-N 3.27Å; P598-D600 WeakPolarHBondContact CB-OD1 3.49Å; P598-D600 PolarHBondContact O-N 3.43Å; P598-A601 HydrophobicContact CB-CB 4.2Å; P598-A601 VanDerWaalsContact O-CB 3.28Å; P598-A601 WeakPolarHBondContact O-CB 3.5Å; P598-A601 PolarHBondContact O-N 3.3Å; P598-S604 PolarHBondContact O-OG 2.8Å
599	T	86.4	Confident	82.6	Confident	52 Å²	52	42.6 Å²	42.6	32%	0.319	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.6	-179.6	52.7	0	0	0	0	112.6	Q605 I634	T599-Q605 PolarHBondContact O-NE2 3.12Å; T599-I634 HydrophobicContact CG2-CB 4.39Å; T599-I634 HydrophobicContact CG2-CG2 3.94Å; T599-I634 WeakPolarHBondContact CG2-O 3.31Å
600	D	80.6	Confident	82.9	Confident	115 Å²	115	43.7 Å²	43.7	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.7	174.2	64.5	-25.5	0	0	0	113.5	P598 L602	P598-D600 VanDerWaalsContact C-N 3.27Å; P598-D600 WeakPolarHBondContact CB-OD1 3.49Å; P598-D600 PolarHBondContact O-N 3.43Å; D600-L602 PolarHBondContact O-N 2.93Å
601	A	81.3	Confident	83.3	Confident	26 Å²	26	43.3 Å²	43.3	22%	0.215	24%	0.236	C	C	.	.	S	Bend	trans	-58.1	137.1	175.5	0	0	0	0	0	110.6	P598 I603 S604 Q605	P598-A601 HydrophobicContact CB-CB 4.2Å; P598-A601 VanDerWaalsContact O-CB 3.28Å; P598-A601 WeakPolarHBondContact O-CB 3.5Å; P598-A601 PolarHBondContact O-N 3.3Å; A601-I603 HydrophobicContact CB-CG2 4.33Å; A601-I603 PolarHBondContact O-N 2.81Å; A601-I603 VanDerWaalsContact O-N 3.16Å; A601-S604 WeakPolarHBondContact O-CA 3.38Å; A601-S604 WeakPolarHBondContact O-CB 3.29Å; A601-S604 PolarHBondContact O-N 2.92Å; A601-Q605 WeakPolarHBondContact O-CG 3.39Å; A601-Q605 PolarHBondContact O-N 3.46Å
602	L	80.7	Confident	83.9	Confident	59 Å²	59	42.4 Å²	42.4	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-53.4	-41	-176.7	-173.4	72.6	0	0	0	112.6	Q121 L122 L125 D600 Q605 F606	Q121-L602 HydrophobicContact CB-CD1 4.13Å; L122-L602 HydrophobicContact CD2-CD1 3.49Å; L122-L602 VanDerWaalsContact CD2-CD1 3.49Å; L122-L602 HydrophobicContact CD2-CD2 4.37Å; L122-L602 HydrophobicContact CD2-CG 3.69Å; L122-L602 HydrophobicContact CG-CD1 3.68Å; L122-L602 HydrophobicContact CG-CG 4.42Å; L125-L602 HydrophobicContact CD1-CD2 3.34Å; D600-L602 PolarHBondContact O-N 2.93Å; L602-Q605 PolarHBondContact O-N 2.92Å; L602-F606 WeakPolarHBondContact O-CB 2.78Å; L602-F606 PolarHBondContact O-N 3.42Å
603	I	85.5	Confident	84.9	Confident	55 Å²	55	43.7 Å²	43.7	28%	0.282	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-37.6	176.6	-172.4	59	0	0	0	112.6	A601 F606 I607 Y673	A601-I603 HydrophobicContact CB-CG2 4.33Å; A601-I603 PolarHBondContact O-N 2.81Å; A601-I603 VanDerWaalsContact O-N 3.16Å; I603-F606 HydrophobicContact CD1-CD1 4.13Å; I603-F606 PolarHBondContact O-N 2.86Å; I603-I607 HydrophobicContact CD1-CD1 4.04Å; I603-I607 HydrophobicContact CD1-CG1 4.2Å; I603-I607 HydrophobicContact CG1-CD1 3.87Å; I603-I607 HydrophobicContact CG1-CG1 4.43Å; I603-I607 WeakPolarHBondContact O-CB 3.08Å; I603-I607 VanDerWaalsContact O-CG1 3.23Å; I603-I607 WeakPolarHBondContact O-CG1 3.25Å; I603-I607 PolarHBondContact O-N 3.39Å; I603-Y673 HydrophobicContact CG1-CE1 4.04Å
604	S	89.8	Confident	85.9	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-40.4	176.5	-60.6	0	0	0	0	110.9	P598 A601 A608 I634 A637 L675	P598-S604 PolarHBondContact O-OG 2.8Å; A601-S604 WeakPolarHBondContact O-CA 3.38Å; A601-S604 WeakPolarHBondContact O-CB 3.29Å; A601-S604 PolarHBondContact O-N 2.92Å; S604-A608 VanDerWaalsContact O-CB 3.26Å; S604-A608 WeakPolarHBondContact O-CB 3.4Å; S604-A608 PolarHBondContact O-N 2.92Å; S604-I634 WeakPolarHBondContact O-CD1 3.26Å; S604-A637 WeakPolarHBondContact OG-CB 3.37Å; S604-L675 WeakPolarHBondContact O-CD2 3.27Å
605	Q	88.4	Confident	86.8	Confident	14 Å²	14	37.3 Å²	37.3	7%	0.065	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-44.1	174	-63.9	-66.6	-28.2	0	0	111.6	Y115 A118 L122 T599 A601 L602 A608 D609 I634	Y115-Q605 VanDerWaalsContact CD2-OE1 3.25Å; A118-Q605 HydrophobicContact CB-CB 4.01Å; A118-Q605 HydrophobicContact CB-CG 3.83Å; L122-Q605 HydrophobicContact CD1-CB 4.21Å; T599-Q605 PolarHBondContact O-NE2 3.12Å; A601-Q605 WeakPolarHBondContact O-CG 3.39Å; A601-Q605 PolarHBondContact O-N 3.46Å; L602-Q605 PolarHBondContact O-N 2.92Å; Q605-A608 PolarHBondContact O-N 3.02Å; Q605-D609 WeakPolarHBondContact O-CB 3.42Å; Q605-D609 PolarHBondContact O-N 3.08Å; Q605-I634 HydrophobicContact CG-CD1 4.47Å
606	F	88.6	Confident	87.4	Confident	9 Å²	9	36.8 Å²	36.8	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-53.6	175.8	177.9	-118.6	0	0	0	112.1	L122 L129 P130 V132 L602 I603 A608 D609 E610 L699	L122-F606 HydrophobicContact CD1-CB 4.16Å; L122-F606 HydrophobicContact CD2-CB 3.65Å; L122-F606 HydrophobicContact CD2-CD2 4.11Å; L122-F606 HydrophobicContact CD2-CG 4.21Å; L129-F606 HydrophobicContact CB-CE2 4.07Å; L129-F606 HydrophobicContact CB-CZ 4.05Å; L129-F606 HydrophobicContact CD1-CD2 3.66Å; L129-F606 HydrophobicContact CD1-CE2 3.68Å; L129-F606 HydrophobicContact CD1-CG 4.43Å; L129-F606 HydrophobicContact CD1-CZ 4.46Å; L129-F606 HydrophobicContact CD2-CD1 4.49Å; L129-F606 HydrophobicContact CD2-CD2 4.28Å; L129-F606 HydrophobicContact CD2-CE2 4.49Å; L129-F606 HydrophobicContact CD2-CG 4.26Å; L129-F606 HydrophobicContact CG-CD2 4.42Å; L129-F606 HydrophobicContact CG-CE2 4.29Å; P130-F606 HydrophobicContact CG-CE1 3.66Å; P130-F606 HydrophobicContact CG-CZ 4.22Å; V132-F606 HydrophobicContact CG2-CZ 3.85Å; L602-F606 WeakPolarHBondContact O-CB 2.78Å; L602-F606 PolarHBondContact O-N 3.42Å; I603-F606 HydrophobicContact CD1-CD1 4.13Å; I603-F606 PolarHBondContact O-N 2.86Å; F606-A608 VanDerWaalsContact C-N 3.31Å; F606-A608 PolarHBondContact O-N 2.79Å; F606-D609 PolarHBondContact O-N 3.29Å; F606-E610 HydrophobicContact CD2-CG 3.96Å; F606-E610 HydrophobicContact CE1-CG 4.42Å; F606-E610 HydrophobicContact CE2-CG 3.57Å; F606-E610 HydrophobicContact CZ-CG 3.84Å; F606-E610 WeakPolarHBondContact O-CG 3.48Å; F606-E610 PolarHBondContact O-N 3.18Å; F606-L699 HydrophobicContact CD1-CD2 4.43Å; F606-L699 HydrophobicContact CE1-CD2 3.9Å
607	I	91.6	Very high	87.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-40.2	-178.6	-65.1	167.6	0	0	0	110.5	I603 E610 L611 Y673 L675 V690 L699	I603-I607 HydrophobicContact CD1-CD1 4.04Å; I603-I607 HydrophobicContact CD1-CG1 4.2Å; I603-I607 HydrophobicContact CG1-CD1 3.87Å; I603-I607 HydrophobicContact CG1-CG1 4.43Å; I603-I607 WeakPolarHBondContact O-CB 3.08Å; I603-I607 VanDerWaalsContact O-CG1 3.23Å; I603-I607 WeakPolarHBondContact O-CG1 3.25Å; I603-I607 PolarHBondContact O-N 3.39Å; I607-E610 PolarHBondContact O-N 3.14Å; I607-L611 HydrophobicContact CG2-CD1 3.89Å; I607-L611 HydrophobicContact CG2-CG 4.23Å; I607-L611 VanDerWaalsContact O-CB 3.31Å; I607-L611 WeakPolarHBondContact O-CB 3.41Å; I607-L611 WeakPolarHBondContact O-CG 3.37Å; I607-L611 PolarHBondContact O-N 2.9Å; I607-Y673 HydrophobicContact CD1-CD1 3.81Å; I607-Y673 HydrophobicContact CD1-CD2 4Å; I607-Y673 HydrophobicContact CD1-CE1 4.46Å; I607-Y673 HydrophobicContact CD1-CG 3.54Å; I607-L675 HydrophobicContact CB-CD1 4.26Å; I607-L675 HydrophobicContact CB-CD2 3.92Å; I607-L675 HydrophobicContact CD1-CD1 4.27Å; I607-L675 HydrophobicContact CG2-CD1 3.78Å; I607-L675 HydrophobicContact CG2-CD2 3.83Å; I607-L675 HydrophobicContact CG2-CG 4.41Å; I607-V690 HydrophobicContact CG2-CB 4.27Å; I607-V690 HydrophobicContact CG2-CG2 3.81Å; I607-L699 HydrophobicContact CG1-CD1 4.28Å; I607-L699 HydrophobicContact CG1-CD2 4.14Å
608	A	92.2	Very high	87.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-40.9	178	0	0	0	0	0	112.7	S604 Q605 F606 V612 L631 I634 L675 I677	S604-A608 VanDerWaalsContact O-CB 3.26Å; S604-A608 WeakPolarHBondContact O-CB 3.4Å; S604-A608 PolarHBondContact O-N 2.92Å; Q605-A608 PolarHBondContact O-N 3.02Å; F606-A608 VanDerWaalsContact C-N 3.31Å; F606-A608 PolarHBondContact O-N 2.79Å; A608-V612 WeakPolarHBondContact O-CG2 3.15Å; A608-V612 PolarHBondContact O-N 3.13Å; A608-V612 VanDerWaalsContact O-N 3.12Å; A608-L631 HydrophobicContact CB-CD1 4.14Å; A608-L631 HydrophobicContact CB-CD2 3.72Å; A608-I634 HydrophobicContact CB-CD1 3.43Å; A608-I634 VanDerWaalsContact CB-CD1 3.43Å; A608-I634 HydrophobicContact CB-CG1 3.72Å; A608-L675 HydrophobicContact CB-CD2 4.07Å; A608-I677 HydrophobicContact CB-CG2 4.01Å
609	D	90.2	Very high	87.4	Confident	25 Å²	25	31.9 Å²	31.9	13%	0.134	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-45.2	176.5	-174.4	64.2	0	0	0	111.5	Y115 I119 Q605 F606 L611 V612 K613	Y115-D609 PolarHBondContact OH-OD1 2.93Å; I119-D609 HydrophobicContact CD1-CB 3.87Å; I119-D609 VanDerWaalsContact CD1-CG 3.44Å; I119-D609 WeakPolarHBondContact CD1-OD1 3.45Å; Q605-D609 WeakPolarHBondContact O-CB 3.42Å; Q605-D609 PolarHBondContact O-N 3.08Å; F606-D609 PolarHBondContact O-N 3.29Å; D609-L611 PolarHBondContact O-N 3.35Å; D609-V612 PolarHBondContact O-N 3.14Å; D609-K613 WeakPolarHBondContact O-CG 3.46Å; D609-K613 PolarHBondContact O-N 2.96Å; D609-K613 WeakPolarHBondContact OD2-CE 3.36Å; D609-K613 IonicContact OD2-NZ 3.77Å; D609-K613 PolarHBondContact OD2-NZ 3.39Å
610	E	92.7	Very high	87	Confident	27 Å²	27	35 Å²	35	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-34.6	176.6	-67.1	-58.9	140.9	0	0	113	V132 F606 I607 K613 A614 I701	V132-E610 HydrophobicContact CG1-CB 4.47Å; V132-E610 HydrophobicContact CG2-CB 4.38Å; V132-E610 HydrophobicContact CG2-CG 3.84Å; F606-E610 HydrophobicContact CD2-CG 3.96Å; F606-E610 HydrophobicContact CE1-CG 4.42Å; F606-E610 HydrophobicContact CE2-CG 3.57Å; F606-E610 HydrophobicContact CZ-CG 3.84Å; F606-E610 WeakPolarHBondContact O-CG 3.48Å; F606-E610 PolarHBondContact O-N 3.18Å; I607-E610 PolarHBondContact O-N 3.14Å; E610-K613 PolarHBondContact O-N 3.34Å; E610-K613 WeakPolarHBondContact OE1-CD 3.31Å; E610-K613 IonicContact OE1-NZ 3.15Å; E610-K613 PolarHBondContact OE1-NZ 3.34Å; E610-A614 WeakPolarHBondContact O-CB 3.38Å; E610-A614 PolarHBondContact O-N 3.3Å; E610-I701 HydrophobicContact CB-CD1 4.09Å
611	L	91.7	Very high	86.6	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-47.3	170.8	-80.1	169	0	0	0	111.6	I607 D609 K613 A614 F615 I677 A688 V690 I701	I607-L611 HydrophobicContact CG2-CD1 3.89Å; I607-L611 HydrophobicContact CG2-CG 4.23Å; I607-L611 VanDerWaalsContact O-CB 3.31Å; I607-L611 WeakPolarHBondContact O-CB 3.41Å; I607-L611 WeakPolarHBondContact O-CG 3.37Å; I607-L611 PolarHBondContact O-N 2.9Å; D609-L611 PolarHBondContact O-N 3.35Å; L611-K613 VanDerWaalsContact C-N 3.33Å; L611-K613 PolarHBondContact O-N 3.32Å; L611-A614 PolarHBondContact O-N 2.76Å; L611-F615 HydrophobicContact CD2-CE1 4.47Å; L611-F615 WeakPolarHBondContact O-CB 3.23Å; L611-F615 VanDerWaalsContact O-CD1 3.24Å; L611-F615 WeakPolarHBondContact O-CD1 3.3Å; L611-F615 WeakPolarHBondContact O-CG 3.23Å; L611-F615 PolarHBondContact O-N 2.81Å; L611-I677 HydrophobicContact CB-CD1 4.39Å; L611-A688 HydrophobicContact CD1-CB 3.96Å; L611-A688 HydrophobicContact CD2-CB 3.84Å; L611-V690 HydrophobicContact CD1-CG2 4.35Å; L611-V690 HydrophobicContact CD2-CG2 3.96Å; L611-V690 HydrophobicContact CG-CG2 4.29Å; L611-I701 HydrophobicContact CD2-CD1 4.4Å; L611-I701 HydrophobicContact CD2-CG2 3.88Å
612	V	91.4	Very high	86.4	Confident	9 Å²	9	38.5 Å²	38.5	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-35.1	179.2	172.8	0	0	0	0	111.5	A608 D609 F615 N616 L629 L631 I677 T679	A608-V612 WeakPolarHBondContact O-CG2 3.15Å; A608-V612 PolarHBondContact O-N 3.13Å; A608-V612 VanDerWaalsContact O-N 3.12Å; D609-V612 PolarHBondContact O-N 3.14Å; V612-F615 PolarHBondContact O-N 2.74Å; V612-N616 WeakPolarHBondContact O-CB 3.25Å; V612-N616 PolarHBondContact O-N 2.96Å; V612-N616 PolarHBondContact O-ND2 3.04Å; V612-N616 VanDerWaalsContact O-ND2 3.16Å; V612-L629 HydrophobicContact CG1-CB 4.37Å; V612-L629 WeakPolarHBondContact CG1-O 3.27Å; V612-L631 HydrophobicContact CG2-CB 4.1Å; V612-L631 HydrophobicContact CG2-CD1 4.12Å; V612-I677 HydrophobicContact CG2-CD1 4.07Å; V612-T679 HydrophobicContact CG2-CG2 4.11Å
613	K	90.4	Very high	86	Confident	80 Å²	80	42.3 Å²	42.3	35%	0.348	20%	0.196	S	C	.	.	H	α-helix	trans	-61.7	-48.9	170.9	-74.7	164.4	173.4	162.4	0	111.7	D609 E610 L611 F615 N616 E617	D609-K613 WeakPolarHBondContact O-CG 3.46Å; D609-K613 PolarHBondContact O-N 2.96Å; D609-K613 WeakPolarHBondContact OD2-CE 3.36Å; D609-K613 IonicContact OD2-NZ 3.77Å; D609-K613 PolarHBondContact OD2-NZ 3.39Å; E610-K613 PolarHBondContact O-N 3.34Å; E610-K613 WeakPolarHBondContact OE1-CD 3.31Å; E610-K613 IonicContact OE1-NZ 3.15Å; E610-K613 PolarHBondContact OE1-NZ 3.34Å; L611-K613 VanDerWaalsContact C-N 3.33Å; L611-K613 PolarHBondContact O-N 3.32Å; K613-F615 VanDerWaalsContact C-N 3.3Å; K613-F615 PolarHBondContact O-N 3.42Å; K613-N616 PolarHBondContact O-N 2.88Å; K613-E617 PolarHBondContact O-N 3.48Å
614	A	89.8	Confident	85.4	Confident	7 Å²	7	48.9 Å²	48.9	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-39.4	177.5	0	0	0	0	0	112.1	V134 E610 L611 E617 R618 I701 L703	V134-A614 HydrophobicContact CG1-CB 4.27Å; V134-A614 HydrophobicContact CG2-CB 3.87Å; E610-A614 WeakPolarHBondContact O-CB 3.38Å; E610-A614 PolarHBondContact O-N 3.3Å; L611-A614 PolarHBondContact O-N 2.76Å; A614-E617 PolarHBondContact O-N 3.48Å; A614-R618 PolarHBondContact O-N 2.97Å; A614-R618 VanDerWaalsContact O-N 3.15Å; A614-I701 HydrophobicContact CB-CD1 4.41Å; A614-I701 HydrophobicContact CB-CG2 4.39Å; A614-L703 HydrophobicContact CB-CD2 4.23Å
615	F	88.8	Confident	84.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-51.7	173.2	-70.9	-1	0	0	0	111.4	L611 V612 K613 E617 R618 L619 L629 I677 Y686 L703 V706 I728	L611-F615 HydrophobicContact CD2-CE1 4.47Å; L611-F615 WeakPolarHBondContact O-CB 3.23Å; L611-F615 VanDerWaalsContact O-CD1 3.24Å; L611-F615 WeakPolarHBondContact O-CD1 3.3Å; L611-F615 WeakPolarHBondContact O-CG 3.23Å; L611-F615 PolarHBondContact O-N 2.81Å; V612-F615 PolarHBondContact O-N 2.74Å; K613-F615 VanDerWaalsContact C-N 3.3Å; K613-F615 PolarHBondContact O-N 3.42Å; F615-E617 VanDerWaalsContact C-N 3.33Å; F615-E617 PolarHBondContact O-N 2.83Å; F615-R618 WeakPolarHBondContact O-CB 3.48Å; F615-R618 PolarHBondContact O-N 3.42Å; F615-L619 WeakPolarHBondContact O-CG 3.43Å; F615-L619 PolarHBondContact O-N 3.44Å; F615-L629 HydrophobicContact CB-CD1 4.18Å; F615-L629 HydrophobicContact CD2-CD1 4Å; F615-I677 HydrophobicContact CE2-CD1 4.11Å; F615-Y686 HydrophobicContact CE2-CD1 4.39Å; F615-Y686 HydrophobicContact CE2-CD2 4.06Å; F615-Y686 AromaticContact CE2-CG 3.99Å; F615-Y686 HydrophobicContact CE2-CG 3.99Å; F615-Y686 HydrophobicContact CZ-CG 4.4Å; F615-L703 HydrophobicContact CD1-CD2 3.98Å; F615-L703 HydrophobicContact CE1-CD2 4.11Å; F615-V706 HydrophobicContact CE1-CG1 4.21Å; F615-V706 HydrophobicContact CE1-CG2 4.25Å; F615-V706 HydrophobicContact CZ-CG1 3.88Å; F615-I728 HydrophobicContact CB-CG2 3.65Å; F615-I728 HydrophobicContact CD1-CD1 3.59Å; F615-I728 HydrophobicContact CD1-CG1 4.46Å; F615-I728 HydrophobicContact CD1-CG2 4.44Å; F615-I728 HydrophobicContact CD2-CG2 4.08Å; F615-I728 HydrophobicContact CE1-CD1 3.91Å; F615-I728 HydrophobicContact CG-CD1 4.06Å; F615-I728 HydrophobicContact CG-CG2 3.81Å
616	N	88	Confident	84.3	Confident	42 Å²	42	49.6 Å²	49.6	23%	0.225	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-36.3	179.6	-76.9	-38.7	0	0	0	112.8	V612 K613 R618 L619 K620 P628 L629	V612-N616 WeakPolarHBondContact O-CB 3.25Å; V612-N616 PolarHBondContact O-N 2.96Å; V612-N616 PolarHBondContact O-ND2 3.04Å; V612-N616 VanDerWaalsContact O-ND2 3.16Å; K613-N616 PolarHBondContact O-N 2.88Å; N616-R618 VanDerWaalsContact C-N 3.31Å; N616-R618 PolarHBondContact O-N 3.46Å; N616-L619 PolarHBondContact O-N 2.94Å; N616-L619 VanDerWaalsContact O-N 3.14Å; N616-K620 PolarHBondContact O-N 3.05Å; N616-P628 WeakPolarHBondContact OD1-CA 3.46Å; N616-L629 PolarHBondContact ND2-O 3.3Å; N616-L629 PolarHBondContact OD1-N 2.6Å
617	E	85.4	Confident	83.8	Confident	113 Å²	113	50.1 Å²	50.1	53%	0.528	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-40.3	174.6	-166.6	60.3	-145.8	0	0	111.6	K613 A614 F615 K620	K613-E617 PolarHBondContact O-N 3.48Å; A614-E617 PolarHBondContact O-N 3.48Å; F615-E617 VanDerWaalsContact C-N 3.33Å; F615-E617 PolarHBondContact O-N 2.83Å; E617-K620 WeakPolarHBondContact O-CB 3.36Å; E617-K620 PolarHBondContact O-N 2.9Å; E617-K620 IonicContact OE1-NZ 2.65Å; E617-K620 PolarHBondContact OE1-NZ 3.24Å; E617-K620 VanDerWaalsContact OE2-CE 3.3Å; E617-K620 WeakPolarHBondContact OE2-CE 3.04Å; E617-K620 IonicContact OE2-NZ 3.89Å; E617-K620 PolarHBondContact OE2-NZ 3.23Å
618	R	80.7	Confident	83.4	Confident	30 Å²	30	54.1 Å²	54.1	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-65.5	-41	172.6	-174.4	178.7	-179.5	99.8	2.8	111.9	A614 F615 N616 K620 K621 L703 D723 L726	A614-R618 PolarHBondContact O-N 2.97Å; A614-R618 VanDerWaalsContact O-N 3.15Å; F615-R618 WeakPolarHBondContact O-CB 3.48Å; F615-R618 PolarHBondContact O-N 3.42Å; N616-R618 VanDerWaalsContact C-N 3.31Å; N616-R618 PolarHBondContact O-N 3.46Å; R618-K620 VanDerWaalsContact C-N 3.27Å; R618-K620 PolarHBondContact O-N 2.97Å; R618-K621 PolarHBondContact O-N 3.34Å; R618-L703 HydrophobicContact CB-CD1 4.42Å; R618-D723 IonicContact NH2-OD2 2.71Å; R618-D723 PolarHBondContact NH2-OD2 2.99Å; R618-L726 HydrophobicContact CG-CD1 4.23Å
619	L	81.4	Confident	83.2	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-26.7	179.9	-66.9	-175.9	0	0	0	113.1	F615 N616 K621 E622 E623 C626 L629 L726 I728 C729	F615-L619 WeakPolarHBondContact O-CG 3.43Å; F615-L619 PolarHBondContact O-N 3.44Å; N616-L619 PolarHBondContact O-N 2.94Å; N616-L619 VanDerWaalsContact O-N 3.14Å; L619-K621 PolarHBondContact O-N 3.04Å; L619-K621 VanDerWaalsContact O-N 3.11Å; L619-E622 CarbonylContact O-C 3.58Å; L619-E622 VanDerWaalsContact O-C 3.27Å; L619-E622 PolarHBondContact O-N 3.33Å; L619-E623 PolarHBondContact O-N 3.01Å; L619-C626 HydrophobicContact CB-CB 4.4Å; L619-C626 HydrophobicContact CD1-CB 4.5Å; L619-C626 HydrophobicContact CD2-CB 3.91Å; L619-C626 HydrophobicContact CG-CB 4.49Å; L619-L629 HydrophobicContact CD1-CD1 4.32Å; L619-L629 HydrophobicContact CD1-CG 3.98Å; L619-L726 HydrophobicContact CD2-CD2 3.46Å; L619-L726 VanDerWaalsContact CD2-CD2 3.46Å; L619-I728 HydrophobicContact CD1-CG2 4.27Å; L619-I728 HydrophobicContact CD2-CB 4.35Å; L619-I728 HydrophobicContact CD2-CG2 4.15Å; L619-I728 HydrophobicContact CG-CG2 4.22Å; L619-C729 HydrophobicContact CD2-CB 4.26Å
620	K	77.7	Confident	83.1	Confident	119 Å²	119	61.8 Å²	61.8	52%	0.517	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-51.4	-36	177.6	-77.9	-179.9	179.4	169	0	113.3	N616 E617 R618 E622 E623	N616-K620 PolarHBondContact O-N 3.05Å; E617-K620 WeakPolarHBondContact O-CB 3.36Å; E617-K620 PolarHBondContact O-N 2.9Å; E617-K620 IonicContact OE1-NZ 2.65Å; E617-K620 PolarHBondContact OE1-NZ 3.24Å; E617-K620 VanDerWaalsContact OE2-CE 3.3Å; E617-K620 WeakPolarHBondContact OE2-CE 3.04Å; E617-K620 IonicContact OE2-NZ 3.89Å; E617-K620 PolarHBondContact OE2-NZ 3.23Å; R618-K620 VanDerWaalsContact C-N 3.27Å; R618-K620 PolarHBondContact O-N 2.97Å; K620-E622 PolarHBondContact O-N 2.88Å; K620-E622 VanDerWaalsContact O-N 3.12Å; K620-E623 WeakPolarHBondContact O-CB 3.45Å; K620-E623 PolarHBondContact O-N 3.47Å
621	K	73	Confident	82.9	Confident	163 Å²	163	61.7 Å²	61.7	71%	0.709	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-57.9	-27.2	177.9	-67	-177	-179.5	177.4	0	112.9	R618 L619	R618-K621 PolarHBondContact O-N 3.34Å; L619-K621 PolarHBondContact O-N 3.04Å; L619-K621 VanDerWaalsContact O-N 3.11Å
622	E	76	Confident	82.7	Confident	51 Å²	51	65 Å²	65	24%	0.238	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-127.6	30.5	-178	-60.9	-69.6	169.5	0	0	110.9	L619 K620 K624 L625 C626 I719 K722	L619-E622 CarbonylContact O-C 3.58Å; L619-E622 VanDerWaalsContact O-C 3.27Å; L619-E622 PolarHBondContact O-N 3.33Å; K620-E622 PolarHBondContact O-N 2.88Å; K620-E622 VanDerWaalsContact O-N 3.12Å; E622-K624 PolarHBondContact O-N 3.3Å; E622-L625 CarbonylContact O-C 3.33Å; E622-L625 WeakPolarHBondContact O-CA 3.24Å; E622-L625 PolarHBondContact O-N 2.74Å; E622-C626 PolarHBondContact O-N 2.78Å; E622-I719 HydrophobicContact CB-CD1 4.12Å; E622-I719 HydrophobicContact CG-CD1 3.75Å; E622-K722 IonicContact OE2-NZ 3.85Å
623	E	73	Confident	82.6	Confident	139 Å²	139	66.2 Å²	66.2	65%	0.65	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-30	-174.6	-172.4	176.5	-172.7	0	0	113.1	L619 K620 L625	L619-E623 PolarHBondContact O-N 3.01Å; K620-E623 WeakPolarHBondContact O-CB 3.45Å; K620-E623 PolarHBondContact O-N 3.47Å; E623-L625 VanDerWaalsContact C-N 3.25Å; E623-L625 PolarHBondContact O-N 2.85Å
624	K	73.3	Confident	82.7	Confident	192 Å²	192	63.1 Å²	63.1	84%	0.835	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.6	174.9	-66.6	-174.6	-179.7	-180	0	113.4	E622 S732	E622-K624 PolarHBondContact O-N 3.3Å; K624-S732 PolarHBondContact O-OG 3.24Å
625	L	75.4	Confident	82.6	Confident	27 Å²	27	65.6 Å²	65.6	14%	0.141	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-23.8	-179.2	-64.4	178.2	0	0	0	112.6	E622 E623 I719 K722 S731 S732 L733	E622-L625 CarbonylContact O-C 3.33Å; E622-L625 WeakPolarHBondContact O-CA 3.24Å; E622-L625 PolarHBondContact O-N 2.74Å; E623-L625 VanDerWaalsContact C-N 3.25Å; E623-L625 PolarHBondContact O-N 2.85Å; L625-I719 HydrophobicContact CD1-CD1 3.99Å; L625-K722 HydrophobicContact CD1-CD 3.89Å; L625-S731 CarbonylContact O-C 3.57Å; L625-S731 WeakPolarHBondContact O-CA 3.41Å; L625-S732 WeakPolarHBondContact CA-OG 3.08Å; L625-S732 PolarHBondContact O-N 3.05Å; L625-S732 PolarHBondContact O-OG 3.24Å; L625-L733 HydrophobicContact CD2-CD1 3.79Å
626	C	79.6	Confident	82.6	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.027	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-114.5	132	-174.1	-53.2	0	0	0	0	111.8	L619 E622 C729 F730	L619-C626 HydrophobicContact CB-CB 4.4Å; L619-C626 HydrophobicContact CD1-CB 4.5Å; L619-C626 HydrophobicContact CD2-CB 3.91Å; L619-C626 HydrophobicContact CG-CB 4.49Å; E622-C626 PolarHBondContact O-N 2.78Å; C626-C729 HydrophobicContact CB-CB 4.14Å; C626-C729 WeakPolarHBondContact CB-SG 3.29Å; C626-C729 WeakPolarHBondContact SG-CB 3.05Å; C626-C729 CovalentContact SG-SG 2.04Å; C626-C729 PolarHBondContact SG-SG 2.61Å; C626-F730 CarbonylContact C-O 3.55Å; C626-F730 VanDerWaalsContact CA-O 3.24Å; C626-F730 WeakPolarHBondContact CA-O 3.42Å
627	S	78.5	Confident	82.7	Confident	20 Å²	20	65.9 Å²	65.9	14%	0.14	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-76	141.7	172.2	-60.3	0	0	0	0	110.7	F730	S627-F730 PolarHBondContact N-O 3.42Å; S627-F730 PolarHBondContact OG-O 2.8Å
628	P	82.3	Confident	82.7	Confident	83 Å²	83	62.1 Å²	62.1	54%	0.539	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-65.5	140	175.8	27	-33.9	0	0	0	111.2	N616	N616-P628 WeakPolarHBondContact OD1-CA 3.46Å
629	L	88.1	Confident	82.9	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.021	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-84.7	143.9	178.2	-68.9	-175.7	0	0	0	112.1	V612 F615 N616 L619 N680 Y686 I728 F730	V612-L629 HydrophobicContact CG1-CB 4.37Å; V612-L629 WeakPolarHBondContact CG1-O 3.27Å; F615-L629 HydrophobicContact CB-CD1 4.18Å; F615-L629 HydrophobicContact CD2-CD1 4Å; N616-L629 PolarHBondContact ND2-O 3.3Å; N616-L629 PolarHBondContact OD1-N 2.6Å; L619-L629 HydrophobicContact CD1-CD1 4.32Å; L619-L629 HydrophobicContact CD1-CG 3.98Å; L629-N680 WeakPolarHBondContact CA-O 3.46Å; L629-Y686 HydrophobicContact CD1-CE2 4.49Å; L629-I728 HydrophobicContact CD1-CG2 3.42Å; L629-I728 VanDerWaalsContact CD1-CG2 3.42Å; L629-F730 HydrophobicContact CD1-CE2 4.46Å; L629-F730 HydrophobicContact CD2-CD2 3.36Å; L629-F730 HydrophobicContact CD2-CE2 3.51Å; L629-F730 HydrophobicContact CD2-CG 4.49Å; L629-F730 HydrophobicContact CG-CD2 4.37Å
630	R	87.5	Confident	82.3	Confident	183 Å²	183	61.1 Å²	61.1	69%	0.691	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.3	171.7	-57.5	178.6	-167	170.2	2.8	109.3	D632 T679 N680	R630-D632 PolarHBondContact O-N 2.67Å; R630-T679 CarbonylContact O-C 3.57Å; R630-T679 VanDerWaalsContact O-CA 3.22Å; R630-T679 WeakPolarHBondContact O-CA 3.32Å; R630-T679 WeakPolarHBondContact O-CB 3.39Å; R630-N680 PolarHBondContact N-O 3.31Å; R630-N680 PolarHBondContact O-N 2.78Å
631	L	89.1	Confident	81.7	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.131	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	123.7	170.4	-169.7	67	0	0	0	108.9	Y115 A608 V612 I634 I677	Y115-L631 HydrophobicContact CD2-CD2 3.89Å; Y115-L631 HydrophobicContact CE2-CB 4.46Å; Y115-L631 HydrophobicContact CE2-CD2 3.37Å; Y115-L631 HydrophobicContact CE2-CG 4.45Å; A608-L631 HydrophobicContact CB-CD1 4.14Å; A608-L631 HydrophobicContact CB-CD2 3.72Å; V612-L631 HydrophobicContact CG2-CB 4.1Å; V612-L631 HydrophobicContact CG2-CD1 4.12Å; L631-I634 HydrophobicContact CD2-CG1 4.2Å; L631-I677 HydrophobicContact CD1-CB 3.9Å; L631-I677 HydrophobicContact CD1-CD1 4.23Å; L631-I677 HydrophobicContact CD1-CG2 4.14Å
632	D	86.8	Confident	80.8	Confident	68 Å²	68	53.6 Å²	53.6	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-53	173.3	177.5	82	0	0	0	110	R630 R678 N680	R630-D632 PolarHBondContact O-N 2.67Å; D632-R678 HydrophobicContact CB-CB 4.35Å; D632-R678 HydrophobicContact CB-CG 4.23Å; D632-R678 WeakPolarHBondContact CB-O 3.17Å; D632-R678 PolarHBondContact N-O 2.89Å; D632-R678 VanDerWaalsContact OD2-CD 3.3Å; D632-R678 WeakPolarHBondContact OD2-CD 3.49Å; D632-R678 IonicContact OD2-NH1 2.95Å; D632-N680 PolarHBondContact OD1-ND2 2.92Å
633	S	89.6	Confident	79.4	Confident	35 Å²	35	58 Å²	58	25%	0.245	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	151.3	-178.3	43.6	0	0	0	0	111.7	R678	S633-R678 PolarHBondContact N-O 3.26Å; S633-R678 PolarHBondContact O-N 2.87Å
634	I	92.1	Very high	77.6	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119	166.9	-54.5	177	0	0	0	106.8	T599 S604 Q605 A608 L631 I677	T599-I634 HydrophobicContact CG2-CB 4.39Å; T599-I634 HydrophobicContact CG2-CG2 3.94Å; T599-I634 WeakPolarHBondContact CG2-O 3.31Å; S604-I634 WeakPolarHBondContact O-CD1 3.26Å; Q605-I634 HydrophobicContact CG-CD1 4.47Å; A608-I634 HydrophobicContact CB-CD1 3.43Å; A608-I634 VanDerWaalsContact CB-CD1 3.43Å; A608-I634 HydrophobicContact CB-CG1 3.72Å; L631-I634 HydrophobicContact CD2-CG1 4.2Å; I634-I677 HydrophobicContact CG1-CG2 4.33Å; I634-I677 HydrophobicContact CG2-CG2 4.49Å
635	L	88.2	Confident	75.9	Confident	58 Å²	58	46.3 Å²	46.3	30%	0.304	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-43.1	-177	-55.3	-171.9	0	0	0	111.5	T676 R678 L685	L635-T676 HydrophobicContact CB-CG2 4.32Å; L635-T676 HydrophobicContact CD1-CG2 4.44Å; L635-T676 PolarHBondContact N-O 3.48Å; L635-R678 HydrophobicContact CD1-CB 4.39Å; L635-R678 HydrophobicContact CD2-CB 4.33Å; L635-R678 HydrophobicContact CG-CB 4.31Å; L635-L685 HydrophobicContact CD1-CD2 3.5Å; L635-L685 VanDerWaalsContact CD1-CD2 3.5Å
636	E	89	Confident	74.1	Confident	49 Å²	49	47.3 Å²	47.3	23%	0.229	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.5	179	-55.8	-177.5	-178.2	0	0	110.3	K504 Y638 L675 T676	K504-E636 IonicContact NZ-OE2 3.43Å; K504-E636 PolarHBondContact NZ-OE2 3.23Å; E636-Y638 HydrophobicContact CB-CD2 4.41Å; E636-Y638 HydrophobicContact CB-CE2 3.63Å; E636-Y638 HydrophobicContact CG-CE2 4.41Å; E636-Y638 WeakPolarHBondContact OE2-CE2 3.2Å; E636-Y638 PolarHBondContact OE2-OH 3.11Å; E636-L675 WeakPolarHBondContact O-CA 3.34Å; E636-T676 PolarHBondContact N-O 2.87Å; E636-T676 PolarHBondContact O-N 2.76Å
637	A	89.7	Confident	72.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.9	170.9	0	0	0	0	0	109	L597 S604 R674 L675	L597-A637 HydrophobicContact CB-CB 3.97Å; L597-A637 PolarHBondContact N-O 3.33Å; S604-A637 WeakPolarHBondContact OG-CB 3.37Å; A637-R674 CarbonylContact C-O 3.5Å; A637-L675 HydrophobicContact CB-CG 4.23Å
638	Y	85.6	Confident	70.3	Confident	34 Å²	34	50.4 Å²	50.4	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.7	176.4	-57.7	-94.5	0	0	0	110.2	W594 K595 K596 E636 Y673 R674	W594-Y638 HydrophobicContact CB-CD1 4.27Å; W594-Y638 HydrophobicContact CB-CG 4.49Å; K595-Y638 CarbonylContact O-C 3.38Å; K595-Y638 WeakPolarHBondContact O-CA 3.38Å; K595-Y638 WeakPolarHBondContact O-CB 3.31Å; K596-Y638 VanDerWaalsContact CA-CD1 3.49Å; K596-Y638 HydrophobicContact CB-CD1 3.95Å; K596-Y638 HydrophobicContact CB-CE1 3.78Å; K596-Y638 HydrophobicContact CD-CE1 4.44Å; K596-Y638 HydrophobicContact CG-CD1 4.36Å; K596-Y638 HydrophobicContact CG-CE1 3.93Å; E636-Y638 HydrophobicContact CB-CD2 4.41Å; E636-Y638 HydrophobicContact CB-CE2 3.63Å; E636-Y638 HydrophobicContact CG-CE2 4.41Å; E636-Y638 WeakPolarHBondContact OE2-CE2 3.2Å; E636-Y638 PolarHBondContact OE2-OH 3.11Å; Y638-Y673 CarbonylContact O-C 3.56Å; Y638-Y673 WeakPolarHBondContact O-CA 3.34Å; Y638-R674 PolarHBondContact N-O 2.87Å; Y638-R674 PolarHBondContact O-N 3.23Å
639	V	85	Confident	68.2	Low	9 Å²	9	52.1 Å²	52.1	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.7	167.2	66.3	0	0	0	0	109.3	K595 L597 Q641 S672 Y673	K595-V639 HydrophobicContact CB-CG1 4.32Å; K595-V639 PolarHBondContact N-O 3.03Å; K595-V639 PolarHBondContact O-N 3.02Å; L597-V639 HydrophobicContact CD1-CB 3.8Å; L597-V639 HydrophobicContact CD1-CG1 4.01Å; L597-V639 HydrophobicContact CD2-CG1 3.92Å; L597-V639 HydrophobicContact CG-CB 4.22Å; L597-V639 HydrophobicContact CG-CG1 3.94Å; V639-Q641 HydrophobicContact CG1-CG 4.48Å; V639-Q641 HydrophobicContact CG2-CG 3.57Å; V639-S672 CarbonylContact C-O 3.44Å; V639-S672 WeakPolarHBondContact CA-O 3.34Å; V639-Y673 HydrophobicContact CB-CD1 3.9Å; V639-Y673 HydrophobicContact CB-CE1 3.9Å; V639-Y673 HydrophobicContact CG2-CD1 3.77Å; V639-Y673 HydrophobicContact CG2-CD2 4.49Å; V639-Y673 HydrophobicContact CG2-CE1 3.54Å; V639-Y673 HydrophobicContact CG2-CE2 4.3Å; V639-Y673 HydrophobicContact CG2-CG 4.25Å
640	S	69.8	Low	66.5	Low	5 Å²	5	56.3 Å²	56.3	4%	0.035	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	98.9	166.4	171	0	0	0	0	106.1	W594 S672	W594-S640 VanDerWaalsContact CE3-CB 3.43Å; S640-S672 PolarHBondContact N-O 2.76Å; S640-S672 WeakPolarHBondContact O-CB 3.35Å; S640-S672 PolarHBondContact O-N 3.26Å
641	Q	65.2	Low	64.8	Low	80 Å²	80	48.6 Å²	48.6	37%	0.374	26%	0.257	S	S	.	.			trans	-87.2	140.1	171.4	-56.1	-179.6	-76.6	0	0	106.6	V639 K643 D671	V639-Q641 HydrophobicContact CG1-CG 4.48Å; V639-Q641 HydrophobicContact CG2-CG 3.57Å; Q641-K643 PolarHBondContact O-N 3.02Å; Q641-D671 HydrophobicContact CG-CB 4.36Å; Q641-D671 PolarHBondContact NE2-OD2 2.7Å
642	P	52.9	Low	63.1	Low	44 Å²	44	49.8 Å²	49.8	29%	0.286	27%	0.271	S	S	.	.			trans	-45	135.1	155.5	-20	29.4	0	0	0	106.7	D644 V668 Y670	P642-D644 PolarHBondContact O-N 3.23Å; P642-V668 HydrophobicContact CG-CB 4.26Å; P642-Y670 WeakPolarHBondContact CD-O 3.28Å; P642-Y670 WeakPolarHBondContact CG-O 3.46Å
643	K	46.8	Very low	61.4	Low	142 Å²	142	53.8 Å²	53.8	62%	0.617	29%	0.285	S	S	*	.			trans	-41.7	118	168.6	-85.3	174.4	168.5	-177.3	0	106.4	Q641 D645 K1183	Q641-K643 PolarHBondContact O-N 3.02Å; K643-D645 PolarHBondContact O-N 3.16Å; K643-K1183 VanDerWaalsContact CD-NZ 3.25Å
644	D	35.9	Very low	59.4	Low	61 Å²	61	54.4 Å²	54.4	33%	0.326	29%	0.286	S	S	.	.	S	Bend	trans	-57.5	20	-168.7	-77.2	-32.7	0	0	0	115.1	P642 F646 R665 K1278	P642-D644 PolarHBondContact O-N 3.23Å; D644-F646 VanDerWaalsContact C-N 3.25Å; D644-F646 PolarHBondContact O-N 3.1Å; D644-R665 IonicContact OD1-NH2 3.22Å; D644-K1278 IonicContact OD2-NZ 3.37Å; D644-K1278 PolarHBondContact OD2-NZ 2.64Å
645	D	36.5	Very low	57.3	Low	25 Å²	25	61.1 Å²	61.1	13%	0.134	33%	0.327	C	S	.	.			trans	-80	7	-155.6	-59.2	-7.5	0	0	0	113.1	K643 E847 K1183	K643-D645 PolarHBondContact O-N 3.16Å; D645-E847 VanDerWaalsContact C-CD 3.49Å; D645-E847 WeakPolarHBondContact O-CG 3.04Å; D645-K1183 HydrophobicContact CB-CB 4.18Å; D645-K1183 VanDerWaalsContact CG-CB 3.44Å; D645-K1183 WeakPolarHBondContact OD1-CB 3.41Å; D645-K1183 WeakPolarHBondContact OD1-CD 3.4Å; D645-K1183 WeakPolarHBondContact OD1-CG 3.27Å; D645-K1183 IonicContact OD1-NZ 3.09Å; D645-K1183 PolarHBondContact OD1-NZ 3.1Å; D645-K1183 VanDerWaalsContact OD2-CG 3.29Å; D645-K1183 WeakPolarHBondContact OD2-CG 3.26Å; D645-K1183 IonicContact OD2-NZ 2.71Å; D645-K1183 PolarHBondContact OD2-NZ 2.94Å
646	F	37.4	Very low	55.1	Low	49 Å²	49	63.4 Å²	63.4	22%	0.215	34%	0.34	C	S	.	.			trans	-153	106.9	174.7	-43.1	-76.9	0	0	0	114.8	D644 V666 D845 S846 E847	D644-F646 VanDerWaalsContact C-N 3.25Å; D644-F646 PolarHBondContact O-N 3.1Å; F646-V666 HydrophobicContact CB-CB 3.9Å; F646-V666 WeakPolarHBondContact CB-O 3.43Å; F646-V666 PolarHBondContact O-N 2.78Å; F646-D845 HydrophobicContact CE1-CB 4.46Å; F646-D845 VanDerWaalsContact CE1-OD1 3.29Å; F646-D845 WeakPolarHBondContact CE1-OD1 3.48Å; F646-D845 VanDerWaalsContact CE1-OD2 3.25Å; F646-D845 WeakPolarHBondContact CE1-OD2 3.28Å; F646-D845 WeakPolarHBondContact CZ-OD2 3.15Å; F646-S846 WeakPolarHBondContact CB-OG 3.46Å; F646-S846 WeakPolarHBondContact CD1-OG 3.45Å; F646-S846 WeakPolarHBondContact CG-OG 3.13Å; F646-E847 HydrophobicContact CD1-CB 3.67Å; F646-E847 HydrophobicContact CD1-CG 3.77Å; F646-E847 HydrophobicContact CE1-CB 3.7Å; F646-E847 HydrophobicContact CE1-CG 4.2Å
647	V	39.4	Very low	52.5	Low	65 Å²	65	63.6 Å²	63.6	39%	0.394	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.8	159.5	-151.1	0	0	0	0	108	F649 F662 G663 K850	V647-F649 PolarHBondContact O-N 2.9Å; V647-F662 HydrophobicContact CB-CB 4.47Å; V647-F662 HydrophobicContact CB-CD1 4.42Å; V647-F662 HydrophobicContact CG1-CB 3.96Å; V647-G663 VanDerWaalsContact CG1-O 3.25Å; V647-G663 WeakPolarHBondContact CG1-O 3.39Å; V647-K850 PolarHBondContact O-NZ 3.26Å
648	A	38.7	Very low	50.5	Low	23 Å²	23	72.8 Å²	72.8	19%	0.19	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	130.4	173.6	0	0	0	0	0	108.7	F662 G663 E664 V666	A648-F662 CarbonylContact O-C 3.34Å; A648-F662 WeakPolarHBondContact O-CA 3.36Å; A648-G663 PolarHBondContact O-N 3.31Å; A648-E664 WeakPolarHBondContact CB-O 3.43Å; A648-E664 PolarHBondContact N-O 3.2Å; A648-V666 HydrophobicContact CB-CG2 3.82Å
649	F	39.1	Very low	48.1	Very low	119 Å²	119	76.8 Å²	76.8	52%	0.522	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.4	165.8	173.8	-99.3	0	0	0	107.2	V647 G651 A660	V647-F649 PolarHBondContact O-N 2.9Å; F649-G651 WeakPolarHBondContact CE2-O 3.46Å; F649-G651 WeakPolarHBondContact CZ-O 3.46Å; F649-A660 HydrophobicContact CD2-CB 4Å; F649-A660 HydrophobicContact CE2-CB 3.79Å
650	V	52.6	Low	45.9	Very low	93 Å²	93	78.3 Å²	78.3	56%	0.564	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	-25.7	-179.4	163.6	0	0	0	0	112.4	K661	V650-K661 WeakPolarHBondContact CA-O 3.34Å; V650-K661 HydrophobicContact CG1-CD 4.44Å; V650-K661 PolarHBondContact N-O 3.33Å
651	G	51.3	Low	44.7	Very low	20 Å²	20	83.2 Å²	83.2	21%	0.206	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-162.3	177.5	0	0	0	0	0	112.2	F649 K661	F649-G651 WeakPolarHBondContact CE2-O 3.46Å; F649-G651 WeakPolarHBondContact CZ-O 3.46Å; G651-K661 PolarHBondContact N-O 3.36Å; G651-K661 WeakPolarHBondContact O-CA 3.02Å; G651-K661 WeakPolarHBondContact O-CB 3.23Å; G651-K661 PolarHBondContact O-N 3.09Å
652	A	53.6	Low	44.1	Very low	51 Å²	51	85.8 Å²	85.8	42%	0.421	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.3	173.9	0	0	0	0	0	111.6	D654 E659	A652-D654 WeakPolarHBondContact CB-O 3.39Å; A652-E659 CarbonylContact C-O 3.45Å; A652-E659 WeakPolarHBondContact CA-O 3.39Å
653	K	52.1	Low	43.8	Very low	151 Å²	151	84.9 Å²	84.9	66%	0.657	45%	0.452	S	S	*	.	S	Bend	trans	-82.3	-26.7	173.8	-106.9	-175.1	179.5	-176.9	0	112.5	E659 K661	K653-E659 HydrophobicContact CB-CB 3.89Å; K653-E659 PolarHBondContact N-O 2.81Å; K653-K661 HydrophobicContact CG-CB 3.99Å; K653-K661 HydrophobicContact CG-CG 4.24Å
654	D	47	Very low	43.4	Very low	49 Å²	49	84.7 Å²	84.7	26%	0.262	45%	0.453	S	S	.	.	S	Bend	trans	-118.9	155.5	-179.2	64.8	-32.7	0	0	0	111.3	A652 D656 G657 R658 E659	A652-D654 WeakPolarHBondContact CB-O 3.39Å; D654-D656 PolarHBondContact O-N 2.96Å; D654-G657 PolarHBondContact O-N 2.97Å; D654-G657 VanDerWaalsContact O-N 3.11Å; D654-G657 PolarHBondContact OD1-N 3.2Å; D654-R658 PolarHBondContact OD1-N 3.43Å; D654-R658 WeakPolarHBondContact OD2-CB 3.27Å; D654-R658 PolarHBondContact OD2-N 2.6Å; D654-E659 PolarHBondContact OD1-N 2.74Å
655	V	47.8	Very low	43.6	Very low	156 Å²	156	83.9 Å²	83.9	95%	0.945	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.7	-178.6	-119.3	0	0	0	0	112.6
656	D	42.7	Very low	43.7	Very low	107 Å²	107	85.5 Å²	85.5	57%	0.572	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-0	-179.3	-69.4	-11.7	0	0	0	113.8	D654 R658	D654-D656 PolarHBondContact O-N 2.96Å; D656-R658 VanDerWaalsContact C-N 3.35Å; D656-R658 HydrophobicContact CB-CG 4.08Å; D656-R658 PolarHBondContact O-N 3.37Å; D656-R658 IonicContact OD2-CZ 3.81Å; D656-R658 IonicContact OD2-NE 3.74Å; D656-R658 IonicContact OD2-NH1 2.74Å; D656-R658 IonicContact OD2-NH2 3.67Å; D656-R658 PolarHBondContact OD2-NH2 2.87Å
657	G	33.4	Very low	44.1	Very low	52 Å²	52	85.8 Å²	85.8	54%	0.536	47%	0.473	S	S	.	.	S	Bend	trans	72.2	20	174.3	0	0	0	0	0	115.8	D654	D654-G657 PolarHBondContact O-N 2.97Å; D654-G657 VanDerWaalsContact O-N 3.11Å; D654-G657 PolarHBondContact OD1-N 3.2Å
658	R	47.5	Very low	44.6	Very low	194 Å²	194	86.9 Å²	86.9	73%	0.732	48%	0.48	S	S	*	.			trans	-93.4	-25.9	-172.4	-56.8	178.1	-175.7	167.3	8.3	112.8	D654 D656	D654-R658 PolarHBondContact OD1-N 3.43Å; D654-R658 WeakPolarHBondContact OD2-CB 3.27Å; D654-R658 PolarHBondContact OD2-N 2.6Å; D656-R658 VanDerWaalsContact C-N 3.35Å; D656-R658 HydrophobicContact CB-CG 4.08Å; D656-R658 PolarHBondContact O-N 3.37Å; D656-R658 IonicContact OD2-CZ 3.81Å; D656-R658 IonicContact OD2-NE 3.74Å; D656-R658 IonicContact OD2-NH1 2.74Å; D656-R658 IonicContact OD2-NH2 3.67Å; D656-R658 PolarHBondContact OD2-NH2 2.87Å
659	E	36.5	Very low	45.4	Very low	118 Å²	118	87 Å²	87	55%	0.551	48%	0.479	S	S	*	.	S	Bend	trans	-106.9	118.6	177.9	-67.8	-166.3	173.2	0	0	111.1	A652 K653 D654 K661	A652-E659 CarbonylContact C-O 3.45Å; A652-E659 WeakPolarHBondContact CA-O 3.39Å; K653-E659 HydrophobicContact CB-CB 3.89Å; K653-E659 PolarHBondContact N-O 2.81Å; D654-E659 PolarHBondContact OD1-N 2.74Å; E659-K661 PolarHBondContact O-N 2.9Å
660	A	38.8	Very low	46.6	Very low	40 Å²	40	85.2 Å²	85.2	33%	0.331	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.8	175.4	0	0	0	0	0	111	F649 F662	F649-A660 HydrophobicContact CD2-CB 4Å; F649-A660 HydrophobicContact CE2-CB 3.79Å; A660-F662 HydrophobicContact CB-CD1 4.44Å; A660-F662 HydrophobicContact CB-CD2 4.27Å; A660-F662 HydrophobicContact CB-CE1 3.87Å; A660-F662 HydrophobicContact CB-CE2 3.67Å; A660-F662 HydrophobicContact CB-CZ 3.45Å; A660-F662 VanDerWaalsContact CB-CZ 3.45Å; A660-F662 PolarHBondContact O-N 3.46Å
661	K	43.5	Very low	47.9	Very low	108 Å²	108	81.2 Å²	81.2	47%	0.47	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	97.9	161.3	-168.2	179.1	179	-179.4	0	107.7	V650 G651 K653 E659	V650-K661 WeakPolarHBondContact CA-O 3.34Å; V650-K661 HydrophobicContact CG1-CD 4.44Å; V650-K661 PolarHBondContact N-O 3.33Å; G651-K661 PolarHBondContact N-O 3.36Å; G651-K661 WeakPolarHBondContact O-CA 3.02Å; G651-K661 WeakPolarHBondContact O-CB 3.23Å; G651-K661 PolarHBondContact O-N 3.09Å; K653-K661 HydrophobicContact CG-CB 3.99Å; K653-K661 HydrophobicContact CG-CG 4.24Å; E659-K661 PolarHBondContact O-N 2.9Å
662	F	52.1	Low	49.2	Very low	134 Å²	134	80.8 Å²	80.8	59%	0.588	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.3	169.5	-56.1	-75.2	0	0	0	109.7	V647 A648 A660	V647-F662 HydrophobicContact CB-CB 4.47Å; V647-F662 HydrophobicContact CB-CD1 4.42Å; V647-F662 HydrophobicContact CG1-CB 3.96Å; A648-F662 CarbonylContact O-C 3.34Å; A648-F662 WeakPolarHBondContact O-CA 3.36Å; A660-F662 HydrophobicContact CB-CD1 4.44Å; A660-F662 HydrophobicContact CB-CD2 4.27Å; A660-F662 HydrophobicContact CB-CE1 3.87Å; A660-F662 HydrophobicContact CB-CE2 3.67Å; A660-F662 HydrophobicContact CB-CZ 3.45Å; A660-F662 VanDerWaalsContact CB-CZ 3.45Å; A660-F662 PolarHBondContact O-N 3.46Å
663	G	47.1	Very low	50.9	Low	25 Å²	25	79.6 Å²	79.6	26%	0.258	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-150.3	164.1	0	0	0	0	0	112.4	V647 A648	V647-G663 VanDerWaalsContact CG1-O 3.25Å; V647-G663 WeakPolarHBondContact CG1-O 3.39Å; A648-G663 PolarHBondContact O-N 3.31Å
664	E	37.9	Very low	52.6	Low	139 Å²	139	73 Å²	73	65%	0.65	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	153.6	-173.8	-62.9	-172.4	174.5	0	0	113.2	A648 V666 T695	A648-E664 WeakPolarHBondContact CB-O 3.43Å; A648-E664 PolarHBondContact N-O 3.2Å; E664-V666 PolarHBondContact O-N 2.79Å; E664-T695 HydrophobicContact CB-CG2 4.18Å
665	R	41	Very low	54.8	Low	43 Å²	43	70.7 Å²	70.7	16%	0.162	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	130.9	177	-164.2	167.1	-176.7	-168.3	16.2	110	D644 P669 D671 V694 T695	D644-R665 IonicContact OD1-NH2 3.22Å; R665-P669 PolarHBondContact NH1-O 3.45Å; R665-D671 IonicContact CZ-OD1 3.79Å; R665-D671 VanDerWaalsContact CZ-OD1 3.29Å; R665-D671 IonicContact NH1-OD1 3.94Å; R665-D671 PolarHBondContact NH1-OD1 3.48Å; R665-D671 IonicContact NH2-OD1 2.63Å; R665-D671 PolarHBondContact NH2-OD1 3.07Å; R665-V694 HydrophobicContact CB-CG2 4.42Å; R665-T695 HydrophobicContact CB-CG2 4.03Å
666	V	38.2	Very low	56.9	Low	59 Å²	59	63.8 Å²	63.8	36%	0.358	34%	0.34	S	S	.	.	S	Bend	trans	-95.9	130.9	173.3	-177.1	0	0	0	0	107.8	F646 A648 E664	F646-V666 HydrophobicContact CB-CB 3.9Å; F646-V666 WeakPolarHBondContact CB-O 3.43Å; F646-V666 PolarHBondContact O-N 2.78Å; A648-V666 HydrophobicContact CB-CG2 3.82Å; E664-V666 PolarHBondContact O-N 2.79Å
667	G	45.6	Very low	59.4	Low	55 Å²	55	58.7 Å²	58.7	57%	0.567	31%	0.313	S	S	*	.	S	Bend	trans	97.2	-166.3	-170.2	0	0	0	0	0	111.8	P669	G667-P669 WeakPolarHBondContact O-CD 3.16Å
668	V	49.6	Very low	62.1	Low	89 Å²	89	59.7 Å²	59.7	54%	0.539	30%	0.3	S	S	.	.			trans	-63	110	-171.4	-171.2	0	0	0	0	108.8	P642 Y670	P642-V668 HydrophobicContact CG-CB 4.26Å; V668-Y670 HydrophobicContact CG1-CD2 3.48Å; V668-Y670 VanDerWaalsContact CG1-CD2 3.48Å; V668-Y670 HydrophobicContact CG1-CE2 4.37Å; V668-Y670 HydrophobicContact CG1-CG 4.25Å; V668-Y670 PolarHBondContact O-N 2.9Å
669	P	55.7	Low	64.2	Low	25 Å²	25	50.5 Å²	50.5	16%	0.162	27%	0.265	C	S	.	.			trans	-72.1	-0.9	-176.3	31.5	-35.6	0	0	0	112.4	R665 G667 V694 T695	R665-P669 PolarHBondContact NH1-O 3.45Å; G667-P669 WeakPolarHBondContact O-CD 3.16Å; P669-V694 VanDerWaalsContact O-CG2 3.27Å; P669-V694 WeakPolarHBondContact O-CG2 3.49Å; P669-V694 PolarHBondContact O-N 2.01Å; P669-T695 HydrophobicContact CB-CG2 3.88Å
670	Y	65.2	Low	66.3	Low	82 Å²	82	47.5 Å²	47.5	32%	0.322	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.3	-171.3	-49.5	-71.9	0	0	0	112.1	P642 V668 L691 Y692 D693	P642-Y670 WeakPolarHBondContact CD-O 3.28Å; P642-Y670 WeakPolarHBondContact CG-O 3.46Å; V668-Y670 HydrophobicContact CG1-CD2 3.48Å; V668-Y670 VanDerWaalsContact CG1-CD2 3.48Å; V668-Y670 HydrophobicContact CG1-CE2 4.37Å; V668-Y670 HydrophobicContact CG1-CG 4.25Å; V668-Y670 PolarHBondContact O-N 2.9Å; Y670-L691 HydrophobicContact CD1-CB 4.47Å; Y670-Y692 CarbonylContact C-O 3.35Å; Y670-Y692 VanDerWaalsContact CA-O 3.23Å; Y670-Y692 WeakPolarHBondContact CA-O 3.49Å; Y670-D693 HydrophobicContact CD1-CB 3.69Å; Y670-D693 HydrophobicContact CE1-CB 3.58Å; Y670-D693 WeakPolarHBondContact CE1-OD2 3.38Å
671	D	78.4	Confident	68.1	Low	9 Å²	9	48 Å²	48	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.9	159.8	-74.4	-5.1	0	0	0	109	Q641 R665 Y673 L691 Y692 V694	Q641-D671 HydrophobicContact CG-CB 4.36Å; Q641-D671 PolarHBondContact NE2-OD2 2.7Å; R665-D671 IonicContact CZ-OD1 3.79Å; R665-D671 VanDerWaalsContact CZ-OD1 3.29Å; R665-D671 IonicContact NH1-OD1 3.94Å; R665-D671 PolarHBondContact NH1-OD1 3.48Å; R665-D671 IonicContact NH2-OD1 2.63Å; R665-D671 PolarHBondContact NH2-OD1 3.07Å; D671-Y673 HydrophobicContact CB-CD2 4.4Å; D671-Y673 HydrophobicContact CB-CE2 3.76Å; D671-L691 CarbonylContact O-C 3.58Å; D671-L691 WeakPolarHBondContact O-CA 3.18Å; D671-Y692 PolarHBondContact N-O 2.83Å; D671-Y692 PolarHBondContact O-N 2.74Å; D671-V694 HydrophobicContact CB-CG1 4.49Å
672	S	80.3	Confident	69.4	Low	10 Å²	10	48.1 Å²	48.1	7%	0.07	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.7	177.5	-60.9	0	0	0	0	110.2	V639 S640 L691	V639-S672 CarbonylContact C-O 3.44Å; V639-S672 WeakPolarHBondContact CA-O 3.34Å; S640-S672 PolarHBondContact N-O 2.76Å; S640-S672 WeakPolarHBondContact O-CB 3.35Å; S640-S672 PolarHBondContact O-N 3.26Å; S672-L691 VanDerWaalsContact OG-CD2 3.24Å; S672-L691 WeakPolarHBondContact OG-CD2 3.26Å
673	Y	89	Confident	70.8	Confident	26 Å²	26	48.1 Å²	48.1	10%	0.102	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.6	174.2	-68	-91.5	0	0	0	109.8	L597 I603 I607 Y638 V639 D671 T689 V690 Y692	L597-Y673 HydrophobicContact CD1-CD1 3.9Å; L597-Y673 HydrophobicContact CD1-CE1 3.92Å; I603-Y673 HydrophobicContact CG1-CE1 4.04Å; I607-Y673 HydrophobicContact CD1-CD1 3.81Å; I607-Y673 HydrophobicContact CD1-CD2 4Å; I607-Y673 HydrophobicContact CD1-CE1 4.46Å; I607-Y673 HydrophobicContact CD1-CG 3.54Å; Y638-Y673 CarbonylContact O-C 3.56Å; Y638-Y673 WeakPolarHBondContact O-CA 3.34Å; V639-Y673 HydrophobicContact CB-CD1 3.9Å; V639-Y673 HydrophobicContact CB-CE1 3.9Å; V639-Y673 HydrophobicContact CG2-CD1 3.77Å; V639-Y673 HydrophobicContact CG2-CD2 4.49Å; V639-Y673 HydrophobicContact CG2-CE1 3.54Å; V639-Y673 HydrophobicContact CG2-CE2 4.3Å; V639-Y673 HydrophobicContact CG2-CG 4.25Å; D671-Y673 HydrophobicContact CB-CD2 4.4Å; D671-Y673 HydrophobicContact CB-CE2 3.76Å; Y673-T689 CarbonylContact O-C 3.54Å; Y673-T689 VanDerWaalsContact O-CA 3.25Å; Y673-T689 WeakPolarHBondContact O-CA 3.17Å; Y673-V690 PolarHBondContact N-O 2.97Å; Y673-V690 PolarHBondContact O-N 2.71Å; Y673-Y692 HydrophobicContact CE2-CD1 4.13Å; Y673-Y692 HydrophobicContact CE2-CG 4.27Å
674	R	88.4	Confident	72.6	Confident	14 Å²	14	47 Å²	47	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.6	174.3	-175.7	-178.5	68	173.7	-1.3	110.4	W594 A637 Y638 E687 A688	W594-R674 HydrophobicContact CE3-CB 3.86Å; W594-R674 HydrophobicContact CH2-CB 3.8Å; W594-R674 HydrophobicContact CZ3-CB 3.39Å; A637-R674 CarbonylContact C-O 3.5Å; Y638-R674 PolarHBondContact N-O 2.87Å; Y638-R674 PolarHBondContact O-N 3.23Å; R674-E687 HydrophobicContact CG-CG 3.95Å; R674-A688 CarbonylContact C-O 3.58Å; R674-A688 VanDerWaalsContact CA-O 3.27Å; R674-A688 WeakPolarHBondContact CA-O 3.12Å
675	L	93.1	Very high	74.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.2	178.7	-77.5	72.2	0	0	0	110.4	S604 I607 A608 E636 A637 I677 E687 A688	S604-L675 WeakPolarHBondContact O-CD2 3.27Å; I607-L675 HydrophobicContact CB-CD1 4.26Å; I607-L675 HydrophobicContact CB-CD2 3.92Å; I607-L675 HydrophobicContact CD1-CD1 4.27Å; I607-L675 HydrophobicContact CG2-CD1 3.78Å; I607-L675 HydrophobicContact CG2-CD2 3.83Å; I607-L675 HydrophobicContact CG2-CG 4.41Å; A608-L675 HydrophobicContact CB-CD2 4.07Å; E636-L675 WeakPolarHBondContact O-CA 3.34Å; A637-L675 HydrophobicContact CB-CG 4.23Å; L675-I677 HydrophobicContact CB-CG2 4.23Å; L675-E687 CarbonylContact O-C 3.6Å; L675-E687 VanDerWaalsContact O-CA 3.29Å; L675-E687 WeakPolarHBondContact O-CA 3.47Å; L675-A688 PolarHBondContact N-O 3.42Å; L675-A688 PolarHBondContact O-N 3.14Å
676	T	92	Very high	77.2	Confident	10 Å²	10	39.8 Å²	39.8	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.1	164.1	-52.2	0	0	0	0	108.4	L635 E636 Y686 E687	L635-T676 HydrophobicContact CB-CG2 4.32Å; L635-T676 HydrophobicContact CD1-CG2 4.44Å; L635-T676 PolarHBondContact N-O 3.48Å; E636-T676 PolarHBondContact N-O 2.87Å; E636-T676 PolarHBondContact O-N 2.76Å; T676-Y686 CarbonylContact C-O 3.59Å; T676-Y686 VanDerWaalsContact CA-O 3.24Å; T676-Y686 WeakPolarHBondContact CA-O 3.36Å; T676-E687 PolarHBondContact OG1-OE2 3.05Å
677	I	93.2	Very high	79.7	Confident	1 Å²	1	37 Å²	37	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.8	-177.9	64.4	172.1	0	0	0	111.4	A608 L611 V612 F615 L631 I634 L675 T679 L685 Y686	A608-I677 HydrophobicContact CB-CG2 4.01Å; L611-I677 HydrophobicContact CB-CD1 4.39Å; V612-I677 HydrophobicContact CG2-CD1 4.07Å; F615-I677 HydrophobicContact CE2-CD1 4.11Å; L631-I677 HydrophobicContact CD1-CB 3.9Å; L631-I677 HydrophobicContact CD1-CD1 4.23Å; L631-I677 HydrophobicContact CD1-CG2 4.14Å; I634-I677 HydrophobicContact CG1-CG2 4.33Å; I634-I677 HydrophobicContact CG2-CG2 4.49Å; L675-I677 HydrophobicContact CB-CG2 4.23Å; I677-T679 HydrophobicContact CD1-CG2 4.14Å; I677-T679 HydrophobicContact CG1-CG2 4.49Å; I677-L685 WeakPolarHBondContact O-CA 3.03Å; I677-Y686 PolarHBondContact N-O 2.93Å; I677-Y686 PolarHBondContact O-N 3.34Å
678	R	91.5	Very high	81.7	Confident	73 Å²	73	34.5 Å²	34.5	28%	0.275	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131	168.1	-169.4	-179.7	-51.5	156.1	1.2	109.3	D632 S633 L635 K683 A684 L685	D632-R678 HydrophobicContact CB-CB 4.35Å; D632-R678 HydrophobicContact CB-CG 4.23Å; D632-R678 WeakPolarHBondContact CB-O 3.17Å; D632-R678 PolarHBondContact N-O 2.89Å; D632-R678 VanDerWaalsContact OD2-CD 3.3Å; D632-R678 WeakPolarHBondContact OD2-CD 3.49Å; D632-R678 IonicContact OD2-NH1 2.95Å; S633-R678 PolarHBondContact N-O 3.26Å; S633-R678 PolarHBondContact O-N 2.87Å; L635-R678 HydrophobicContact CD1-CB 4.39Å; L635-R678 HydrophobicContact CD2-CB 4.33Å; L635-R678 HydrophobicContact CG-CB 4.31Å; R678-K683 HydrophobicContact CG-CB 4.26Å; R678-A684 CarbonylContact C-O 3.59Å; R678-A684 VanDerWaalsContact CA-O 3.22Å; R678-A684 WeakPolarHBondContact CA-O 3.42Å; R678-L685 HydrophobicContact CB-CD2 3.86Å; R678-L685 HydrophobicContact CG-CD2 3.77Å
679	T	90.2	Very high	83.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.9	174.3	68	0	0	0	0	111.9	V612 R630 I677 K683 A684 Y686	V612-T679 HydrophobicContact CG2-CG2 4.11Å; R630-T679 CarbonylContact O-C 3.57Å; R630-T679 VanDerWaalsContact O-CA 3.22Å; R630-T679 WeakPolarHBondContact O-CA 3.32Å; R630-T679 WeakPolarHBondContact O-CB 3.39Å; I677-T679 HydrophobicContact CD1-CG2 4.14Å; I677-T679 HydrophobicContact CG1-CG2 4.49Å; T679-K683 CarbonylContact O-C 2.99Å; T679-K683 WeakPolarHBondContact O-CA 3.41Å; T679-K683 PolarHBondContact O-N 3.33Å; T679-A684 PolarHBondContact N-O 3.12Å; T679-A684 PolarHBondContact O-N 2.91Å; T679-A684 WeakPolarHBondContact OG1-CB 3.26Å; T679-Y686 HydrophobicContact CG2-CD2 4.07Å; T679-Y686 HydrophobicContact CG2-CE2 4.21Å; T679-Y686 WeakPolarHBondContact OG1-CE2 3.29Å
680	N	81.8	Confident	85	Confident	55 Å²	55	29.5 Å²	29.5	29%	0.294	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	146.1	167.7	-79.7	-38.2	0	0	0	110.2	L629 R630 D632	L629-N680 WeakPolarHBondContact CA-O 3.46Å; R630-N680 PolarHBondContact N-O 3.31Å; R630-N680 PolarHBondContact O-N 2.78Å; D632-N680 PolarHBondContact OD1-ND2 2.92Å
681	P	76.4	Confident	85.9	Confident	51 Å²	51	27.4 Å²	27.4	33%	0.331	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	cis	-76.8	166.7	6	30.8	-35.3	0	0	0	115.4	K683 F730	P681-K683 PolarHBondContact O-N 2.59Å; P681-F730 HydrophobicContact CG-CB 4.18Å; P681-F730 HydrophobicContact CG-CG 4.26Å
682	R	71.6	Confident	86	Confident	110 Å²	110	29.3 Å²	29.3	42%	0.415	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	25.2	172.7	-65.5	-168.9	170.6	171.3	1	118.1	A684 F730 E738	R682-A684 PolarHBondContact O-N 2.72Å; R682-A684 VanDerWaalsContact O-N 3.16Å; R682-F730 HydrophobicContact CB-CE1 4.38Å; R682-E738 IonicContact NH2-OE1 3.41Å; R682-E738 PolarHBondContact NH2-OE1 2.83Å
683	K	81.6	Confident	85.9	Confident	135 Å²	135	29 Å²	29	59%	0.587	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.1	170.7	-64.2	-174.4	178	-179.9	0	113.4	R678 T679 P681	R678-K683 HydrophobicContact CG-CB 4.26Å; T679-K683 CarbonylContact O-C 2.99Å; T679-K683 WeakPolarHBondContact O-CA 3.41Å; T679-K683 PolarHBondContact O-N 3.33Å; P681-K683 PolarHBondContact O-N 2.59Å
684	A	83.1	Confident	84.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.3	-177.3	0	0	0	0	0	112	R678 T679 R682 Y686 R708 F730	R678-A684 CarbonylContact C-O 3.59Å; R678-A684 VanDerWaalsContact CA-O 3.22Å; R678-A684 WeakPolarHBondContact CA-O 3.42Å; T679-A684 PolarHBondContact N-O 3.12Å; T679-A684 PolarHBondContact O-N 2.91Å; T679-A684 WeakPolarHBondContact OG1-CB 3.26Å; R682-A684 PolarHBondContact O-N 2.72Å; R682-A684 VanDerWaalsContact O-N 3.16Å; A684-Y686 HydrophobicContact CB-CE2 3.77Å; A684-R708 VanDerWaalsContact CA-NH1 3.26Å; A684-F730 HydrophobicContact CB-CE1 4.21Å; A684-F730 HydrophobicContact CB-CE2 4.01Å; A684-F730 HydrophobicContact CB-CZ 3.39Å
685	L	87.3	Confident	83.9	Confident	28 Å²	28	31.2 Å²	31.2	15%	0.147	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.5	-177.2	-55.6	-175.2	0	0	0	111.7	L635 I677 R678 R708 V709 N710	L635-L685 HydrophobicContact CD1-CD2 3.5Å; L635-L685 VanDerWaalsContact CD1-CD2 3.5Å; I677-L685 WeakPolarHBondContact O-CA 3.03Å; R678-L685 HydrophobicContact CB-CD2 3.86Å; R678-L685 HydrophobicContact CG-CD2 3.77Å; L685-R708 WeakPolarHBondContact O-CD 3.46Å; L685-V709 HydrophobicContact CB-CG2 3.33Å; L685-V709 HydrophobicContact CD1-CG2 4.2Å; L685-V709 HydrophobicContact CG-CG2 4.41Å; L685-V709 PolarHBondContact O-N 3.31Å; L685-N710 WeakPolarHBondContact CB-OD1 3.48Å; L685-N710 HydrophobicContact CD1-CB 4.35Å; L685-N710 PolarHBondContact N-OD1 2.92Å; L685-N710 VanDerWaalsContact N-OD1 3.1Å
686	Y	88.9	Confident	82.9	Confident	3 Å²	3	37.6 Å²	37.6	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.6	177.9	-61.6	-80.9	0	0	0	110.6	F615 L629 T676 I677 T679 A684 V706 S707 R708 A727 I728 F730	F615-Y686 HydrophobicContact CE2-CD1 4.39Å; F615-Y686 HydrophobicContact CE2-CD2 4.06Å; F615-Y686 AromaticContact CE2-CG 3.99Å; F615-Y686 HydrophobicContact CE2-CG 3.99Å; F615-Y686 HydrophobicContact CZ-CG 4.4Å; L629-Y686 HydrophobicContact CD1-CE2 4.49Å; T676-Y686 CarbonylContact C-O 3.59Å; T676-Y686 VanDerWaalsContact CA-O 3.24Å; T676-Y686 WeakPolarHBondContact CA-O 3.36Å; I677-Y686 PolarHBondContact N-O 2.93Å; I677-Y686 PolarHBondContact O-N 3.34Å; T679-Y686 HydrophobicContact CG2-CD2 4.07Å; T679-Y686 HydrophobicContact CG2-CE2 4.21Å; T679-Y686 WeakPolarHBondContact OG1-CE2 3.29Å; A684-Y686 HydrophobicContact CB-CE2 3.77Å; Y686-V706 HydrophobicContact CD1-CG1 4.28Å; Y686-S707 CarbonylContact C-O 3.58Å; Y686-S707 WeakPolarHBondContact CA-O 3.39Å; Y686-R708 PolarHBondContact OH-NH1 3.08Å; Y686-A727 PolarHBondContact OH-O 3.46Å; Y686-I728 HydrophobicContact CE1-CG1 4.28Å; Y686-F730 VanDerWaalsContact OH-CE2 3.29Å; Y686-F730 WeakPolarHBondContact OH-CE2 3.44Å
687	E	89.8	Confident	82.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	168.7	-173.7	169.2	81.1	0	0	108.4	R498 K504 R674 L675 T676 S707 V709	R498-E687 IonicContact CZ-OE1 2.68Å; R498-E687 IonicContact NH1-OE1 3.3Å; R498-E687 IonicContact NH2-OE1 3.37Å; R498-E687 PolarHBondContact NH2-OE1 3.07Å; K504-E687 IonicContact NZ-OE2 3.1Å; K504-E687 PolarHBondContact NZ-OE2 3.41Å; R674-E687 HydrophobicContact CG-CG 3.95Å; L675-E687 CarbonylContact O-C 3.6Å; L675-E687 VanDerWaalsContact O-CA 3.29Å; L675-E687 WeakPolarHBondContact O-CA 3.47Å; T676-E687 PolarHBondContact OG1-OE2 3.05Å; E687-S707 PolarHBondContact N-O 3.33Å; E687-S707 PolarHBondContact O-N 3.22Å; E687-V709 HydrophobicContact CB-CG1 3.72Å
688	A	89.4	Confident	81.6	Confident	3 Å²	3	44.3 Å²	44.3	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.5	-177.2	0	0	0	0	0	110.4	L611 R674 L675 V706	L611-A688 HydrophobicContact CD1-CB 3.96Å; L611-A688 HydrophobicContact CD2-CB 3.84Å; R674-A688 CarbonylContact C-O 3.58Å; R674-A688 VanDerWaalsContact CA-O 3.27Å; R674-A688 WeakPolarHBondContact CA-O 3.12Å; L675-A688 PolarHBondContact N-O 3.42Å; L675-A688 PolarHBondContact O-N 3.14Å; A688-V706 HydrophobicContact CB-CG1 4.35Å; A688-V706 HydrophobicContact CB-CG2 3.95Å
689	T	87	Confident	81.4	Confident	8 Å²	8	40.9 Å²	40.9	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.3	170	-58.1	0	0	0	0	109.5	H587 W594 Y673	H587-T689 PolarHBondContact ND1-OG1 3.49Å; W594-T689 HydrophobicContact CH2-CG2 3.96Å; Y673-T689 CarbonylContact O-C 3.54Å; Y673-T689 VanDerWaalsContact O-CA 3.25Å; Y673-T689 WeakPolarHBondContact O-CA 3.17Å
690	V	87.7	Confident	81.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.8	-178.3	-177.6	0	0	0	0	108.7	I607 L611 Y673 L699 L700 I701	I607-V690 HydrophobicContact CG2-CB 4.27Å; I607-V690 HydrophobicContact CG2-CG2 3.81Å; L611-V690 HydrophobicContact CD1-CG2 4.35Å; L611-V690 HydrophobicContact CD2-CG2 3.96Å; L611-V690 HydrophobicContact CG-CG2 4.29Å; Y673-V690 PolarHBondContact N-O 2.97Å; Y673-V690 PolarHBondContact O-N 2.71Å; V690-L699 HydrophobicContact CG1-CD1 3.48Å; V690-L699 VanDerWaalsContact CG1-CD1 3.48Å; V690-L699 HydrophobicContact CG1-CD2 3.95Å; V690-L699 HydrophobicContact CG1-CG 3.47Å; V690-L699 VanDerWaalsContact CG1-CG 3.47Å; V690-L700 VanDerWaalsContact CG1-O 3.31Å; V690-L700 WeakPolarHBondContact CG1-O 2.97Å; V690-I701 HydrophobicContact CG1-CG1 3.87Å; V690-I701 HydrophobicContact CG2-CG1 4.23Å
691	L	82.6	Confident	81.4	Confident	38 Å²	38	40.6 Å²	40.6	20%	0.199	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.2	178.8	-66.8	176.6	0	0	0	109.4	P586 Y670 D671 S672 L700	P586-L691 HydrophobicContact CB-CD2 4.46Å; P586-L691 HydrophobicContact CG-CD2 4.3Å; Y670-L691 HydrophobicContact CD1-CB 4.47Å; D671-L691 CarbonylContact O-C 3.58Å; D671-L691 WeakPolarHBondContact O-CA 3.18Å; S672-L691 VanDerWaalsContact OG-CD2 3.24Å; S672-L691 WeakPolarHBondContact OG-CD2 3.26Å; L691-L700 HydrophobicContact CB-CB 4.27Å; L691-L700 HydrophobicContact CB-CD2 4.32Å; L691-L700 HydrophobicContact CD1-CD2 4.11Å; L691-L700 PolarHBondContact N-O 2.73Å; L691-L700 WeakPolarHBondContact O-CA 3.38Å; L691-L700 WeakPolarHBondContact O-CB 3.46Å; L691-L700 PolarHBondContact O-N 3.13Å
692	Y	81.8	Confident	81.6	Confident	48 Å²	48	39.3 Å²	39.3	19%	0.188	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.9	174	177.3	-132.7	0	0	0	109.9	P130 Y670 D671 Y673 V694 L699	P130-Y692 HydrophobicContact CB-CD2 4.21Å; P130-Y692 HydrophobicContact CB-CE2 3.5Å; P130-Y692 VanDerWaalsContact CB-CE2 3.5Å; P130-Y692 HydrophobicContact CG-CD2 4.32Å; P130-Y692 HydrophobicContact CG-CE2 3.85Å; Y670-Y692 CarbonylContact C-O 3.35Å; Y670-Y692 VanDerWaalsContact CA-O 3.23Å; Y670-Y692 WeakPolarHBondContact CA-O 3.49Å; D671-Y692 PolarHBondContact N-O 2.83Å; D671-Y692 PolarHBondContact O-N 2.74Å; Y673-Y692 HydrophobicContact CE2-CD1 4.13Å; Y673-Y692 HydrophobicContact CE2-CG 4.27Å; Y692-V694 HydrophobicContact CD1-CG1 3.69Å; Y692-V694 HydrophobicContact CE1-CB 4.22Å; Y692-V694 HydrophobicContact CE1-CG1 3.73Å; Y692-V694 PolarHBondContact O-N 3.4Å; Y692-V694 VanDerWaalsContact O-N 3.11Å; Y692-L699 HydrophobicContact CD2-CD1 4.23Å; Y692-L699 HydrophobicContact CG-CD1 4.39Å
693	D	76.5	Confident	82	Confident	5 Å²	5	35 Å²	35	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	99.3	169.1	-168.2	-30.4	0	0	0	108.5	Y670 T695 K696 K697 V698	Y670-D693 HydrophobicContact CD1-CB 3.69Å; Y670-D693 HydrophobicContact CE1-CB 3.58Å; Y670-D693 WeakPolarHBondContact CE1-OD2 3.38Å; D693-T695 PolarHBondContact O-N 3.22Å; D693-T695 PolarHBondContact OD1-N 3.1Å; D693-T695 VanDerWaalsContact OD1-N 3.15Å; D693-T695 PolarHBondContact OD1-OG1 2.89Å; D693-K696 HydrophobicContact CB-CB 4.3Å; D693-K696 PolarHBondContact OD1-N 2.87Å; D693-K696 VanDerWaalsContact OD2-CD 3.26Å; D693-K696 WeakPolarHBondContact OD2-CD 3.44Å; D693-K696 WeakPolarHBondContact OD2-CE 3.11Å; D693-K696 WeakPolarHBondContact OD2-CG 3.43Å; D693-K696 IonicContact OD2-NZ 3.05Å; D693-K696 PolarHBondContact OD2-NZ 2.82Å; D693-K697 VanDerWaalsContact O-CA 3.32Å; D693-K697 WeakPolarHBondContact O-CA 3.4Å; D693-K697 PolarHBondContact O-N 3.5Å; D693-V698 HydrophobicContact CB-CB 4.26Å; D693-V698 WeakPolarHBondContact CB-O 3.47Å; D693-V698 PolarHBondContact N-O 3.46Å; D693-V698 PolarHBondContact O-N 3.24Å; D693-V698 VanDerWaalsContact O-N 3.09Å
694	V	69.5	Low	81.5	Confident	41 Å²	41	31.3 Å²	31.3	25%	0.248	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28	-176.5	-53.3	0	0	0	0	112	R665 P669 D671 Y692	R665-V694 HydrophobicContact CB-CG2 4.42Å; P669-V694 VanDerWaalsContact O-CG2 3.27Å; P669-V694 WeakPolarHBondContact O-CG2 3.49Å; P669-V694 PolarHBondContact O-N 2.01Å; D671-V694 HydrophobicContact CB-CG1 4.49Å; Y692-V694 HydrophobicContact CD1-CG1 3.69Å; Y692-V694 HydrophobicContact CE1-CB 4.22Å; Y692-V694 HydrophobicContact CE1-CG1 3.73Å; Y692-V694 PolarHBondContact O-N 3.4Å; Y692-V694 VanDerWaalsContact O-N 3.11Å
695	T	66.4	Low	81.1	Confident	45 Å²	45	31.9 Å²	31.9	28%	0.276	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-43.6	-176.8	59.9	0	0	0	0	110.7	E664 R665 P669 D693 K697	E664-T695 HydrophobicContact CB-CG2 4.18Å; R665-T695 HydrophobicContact CB-CG2 4.03Å; P669-T695 HydrophobicContact CB-CG2 3.88Å; D693-T695 PolarHBondContact O-N 3.22Å; D693-T695 PolarHBondContact OD1-N 3.1Å; D693-T695 VanDerWaalsContact OD1-N 3.15Å; D693-T695 PolarHBondContact OD1-OG1 2.89Å; T695-K697 VanDerWaalsContact C-N 3.28Å; T695-K697 PolarHBondContact O-N 3.46Å
696	K	72.7	Confident	80.9	Confident	133 Å²	133	32 Å²	32	58%	0.578	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.8	176.2	-60.5	-175.5	-165.2	124.8	0	113.7	D693 V698	D693-K696 HydrophobicContact CB-CB 4.3Å; D693-K696 PolarHBondContact OD1-N 2.87Å; D693-K696 VanDerWaalsContact OD2-CD 3.26Å; D693-K696 WeakPolarHBondContact OD2-CD 3.44Å; D693-K696 WeakPolarHBondContact OD2-CE 3.11Å; D693-K696 WeakPolarHBondContact OD2-CG 3.43Å; D693-K696 IonicContact OD2-NZ 3.05Å; D693-K696 PolarHBondContact OD2-NZ 2.82Å; K696-V698 HydrophobicContact CB-CB 4.18Å; K696-V698 HydrophobicContact CB-CG2 3.73Å; K696-V698 PolarHBondContact O-N 3.39Å
697	K	75.3	Confident	80.6	Confident	141 Å²	141	32.1 Å²	32.1	61%	0.613	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.2	-166.8	-57.9	-179.9	179.2	179.7	0	111.2	P130 E131 D693 T695	P130-K697 CarbonylContact C-O 3.59Å; P130-K697 WeakPolarHBondContact CA-O 3.42Å; P130-K697 HydrophobicContact CB-CB 4.41Å; P130-K697 WeakPolarHBondContact CB-O 3.35Å; E131-K697 PolarHBondContact N-O 3.06Å; D693-K697 VanDerWaalsContact O-CA 3.32Å; D693-K697 WeakPolarHBondContact O-CA 3.4Å; D693-K697 PolarHBondContact O-N 3.5Å; T695-K697 VanDerWaalsContact C-N 3.28Å; T695-K697 PolarHBondContact O-N 3.46Å
698	V	81.9	Confident	80.2	Confident	11 Å²	11	33.3 Å²	33.3	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	179.6	172.4	0	0	0	0	109.6	E131 K133 D693 K696	E131-V698 HydrophobicContact CB-CG2 4.35Å; E131-V698 CarbonylContact O-C 3.49Å; E131-V698 VanDerWaalsContact O-CA 3.27Å; E131-V698 WeakPolarHBondContact O-CA 3.22Å; K133-V698 HydrophobicContact CB-CG1 4Å; K133-V698 HydrophobicContact CD-CG1 3.79Å; K133-V698 HydrophobicContact CG-CG1 3.76Å; D693-V698 HydrophobicContact CB-CB 4.26Å; D693-V698 WeakPolarHBondContact CB-O 3.47Å; D693-V698 PolarHBondContact N-O 3.46Å; D693-V698 PolarHBondContact O-N 3.24Å; D693-V698 VanDerWaalsContact O-N 3.09Å; K696-V698 HydrophobicContact CB-CB 4.18Å; K696-V698 HydrophobicContact CB-CG2 3.73Å; K696-V698 PolarHBondContact O-N 3.39Å
699	L	87.1	Confident	79.8	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111	168.4	-168.4	79.8	0	0	0	109.1	P130 E131 V132 K133 F606 I607 V690 Y692	P130-L699 HydrophobicContact CG-CB 4.26Å; E131-L699 PolarHBondContact O-N 2.81Å; V132-L699 CarbonylContact C-O 3.31Å; V132-L699 WeakPolarHBondContact CA-O 3.14Å; V132-L699 HydrophobicContact CG2-CB 4.36Å; V132-L699 HydrophobicContact CG2-CD2 4.29Å; K133-L699 PolarHBondContact N-O 2.9Å; F606-L699 HydrophobicContact CD1-CD2 4.43Å; F606-L699 HydrophobicContact CE1-CD2 3.9Å; I607-L699 HydrophobicContact CG1-CD1 4.28Å; I607-L699 HydrophobicContact CG1-CD2 4.14Å; V690-L699 HydrophobicContact CG1-CD1 3.48Å; V690-L699 VanDerWaalsContact CG1-CD1 3.48Å; V690-L699 HydrophobicContact CG1-CD2 3.95Å; V690-L699 HydrophobicContact CG1-CG 3.47Å; V690-L699 VanDerWaalsContact CG1-CG 3.47Å; Y692-L699 HydrophobicContact CD2-CD1 4.23Å; Y692-L699 HydrophobicContact CG-CD1 4.39Å
700	L	84.8	Confident	79.3	Confident	49 Å²	49	35 Å²	35	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.5	177.9	-173.4	112.3	0	0	0	110.9	K133 V135 V690 L691	K133-L700 CarbonylContact O-C 3.6Å; K133-L700 WeakPolarHBondContact O-CA 3.4Å; V135-L700 HydrophobicContact CG1-CD1 3.71Å; V135-L700 HydrophobicContact CG1-CG 4.45Å; V135-L700 HydrophobicContact CG2-CD1 4.04Å; V135-L700 HydrophobicContact CG2-CD2 3.96Å; V135-L700 HydrophobicContact CG2-CG 3.96Å; V690-L700 VanDerWaalsContact CG1-O 3.31Å; V690-L700 WeakPolarHBondContact CG1-O 2.97Å; L691-L700 HydrophobicContact CB-CB 4.27Å; L691-L700 HydrophobicContact CB-CD2 4.32Å; L691-L700 HydrophobicContact CD1-CD2 4.11Å; L691-L700 PolarHBondContact N-O 2.73Å; L691-L700 WeakPolarHBondContact O-CA 3.38Å; L691-L700 WeakPolarHBondContact O-CB 3.46Å; L691-L700 PolarHBondContact O-N 3.13Å
701	I	87.9	Confident	78.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112	172.5	-61.4	174.7	0	0	0	108	V132 K133 V134 V135 E610 L611 A614 V690 L703	V132-I701 HydrophobicContact CG1-CD1 3.82Å; V132-I701 HydrophobicContact CG1-CG1 4.39Å; K133-I701 PolarHBondContact O-N 2.75Å; V134-I701 WeakPolarHBondContact CA-O 3.45Å; V134-I701 HydrophobicContact CG2-CB 4.41Å; V135-I701 PolarHBondContact N-O 2.02Å; E610-I701 HydrophobicContact CB-CD1 4.09Å; L611-I701 HydrophobicContact CD2-CD1 4.4Å; L611-I701 HydrophobicContact CD2-CG2 3.88Å; A614-I701 HydrophobicContact CB-CD1 4.41Å; A614-I701 HydrophobicContact CB-CG2 4.39Å; V690-I701 HydrophobicContact CG1-CG1 3.87Å; V690-I701 HydrophobicContact CG2-CG1 4.23Å; I701-L703 HydrophobicContact CG2-CD2 4.25Å
702	D	81.3	Confident	77.5	Confident	23 Å²	23	40.4 Å²	40.4	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.8	169.2	178.5	11.2	0	0	0	109.5	V135 D704 S705	V135-D702 HydrophobicContact CG2-CB 4Å; D702-D704 PolarHBondContact O-N 3.47Å; D702-D704 WeakPolarHBondContact OD1-CB 3.42Å; D702-D704 PolarHBondContact OD1-N 2.79Å; D702-S705 PolarHBondContact O-N 2.88Å; D702-S705 PolarHBondContact OD2-OG 3.29Å
703	L	79.9	Confident	76.7	Confident	21 Å²	21	41.2 Å²	41.2	11%	0.11	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-19.3	179.4	-70.5	177.9	0	0	0	113.1	V134 V135 A614 F615 R618 I701 S705	V134-L703 HydrophobicContact CG1-CD1 3.73Å; V134-L703 HydrophobicContact CG1-CG 3.82Å; V135-L703 PolarHBondContact O-N 3.42Å; A614-L703 HydrophobicContact CB-CD2 4.23Å; F615-L703 HydrophobicContact CD1-CD2 3.98Å; F615-L703 HydrophobicContact CE1-CD2 4.11Å; R618-L703 HydrophobicContact CB-CD1 4.42Å; I701-L703 HydrophobicContact CG2-CD2 4.25Å; L703-S705 VanDerWaalsContact C-N 3.29Å
704	D	69.9	Low	76.3	Confident	57 Å²	57	44.3 Å²	44.3	31%	0.305	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-10.8	177	-57.3	-43	0	0	0	111.8	R137 D702	R137-D704 VanDerWaalsContact CB-OD2 3.3Å; R137-D704 WeakPolarHBondContact CB-OD2 3.37Å; R137-D704 WeakPolarHBondContact CG-OD2 3.34Å; R137-D704 PolarHBondContact N-OD2 2.85Å; D702-D704 PolarHBondContact O-N 3.47Å; D702-D704 WeakPolarHBondContact OD1-CB 3.42Å; D702-D704 PolarHBondContact OD1-N 2.79Å
705	S	74.7	Confident	76.1	Confident	12 Å²	12	42.8 Å²	42.8	8%	0.084	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	35.7	176.9	-67.6	0	0	0	0	112.9	H587 D702 L703	H587-S705 PolarHBondContact ND1-O 2.84Å; D702-S705 PolarHBondContact O-N 2.88Å; D702-S705 PolarHBondContact OD2-OG 3.29Å; L703-S705 VanDerWaalsContact C-N 3.29Å
706	V	83.9	Confident	76.1	Confident	30 Å²	30	41.5 Å²	41.5	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.8	-179.9	-179.5	0	0	0	0	110.6	F615 Y686 A688	F615-V706 HydrophobicContact CE1-CG1 4.21Å; F615-V706 HydrophobicContact CE1-CG2 4.25Å; F615-V706 HydrophobicContact CZ-CG1 3.88Å; Y686-V706 HydrophobicContact CD1-CG1 4.28Å; A688-V706 HydrophobicContact CB-CG1 4.35Å; A688-V706 HydrophobicContact CB-CG2 3.95Å
707	S	82.4	Confident	75.9	Confident	5 Å²	5	42.2 Å²	42.2	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.6	178.2	-65.3	0	0	0	0	112.8	H587 W588 Y686 E687	H587-S707 PolarHBondContact NE2-OG 3.17Å; W588-S707 WeakPolarHBondContact CH2-OG 3.4Å; Y686-S707 CarbonylContact C-O 3.58Å; Y686-S707 WeakPolarHBondContact CA-O 3.39Å; E687-S707 PolarHBondContact N-O 3.33Å; E687-S707 PolarHBondContact O-N 3.22Å
708	R	81.5	Confident	75.4	Confident	27 Å²	27	36.8 Å²	36.8	10%	0.102	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.2	166.7	178.8	72.8	-178.5	-173.8	-6.7	109.3	A684 L685 Y686 N710 Y712	A684-R708 VanDerWaalsContact CA-NH1 3.26Å; L685-R708 WeakPolarHBondContact O-CD 3.46Å; Y686-R708 PolarHBondContact OH-NH1 3.08Å; R708-N710 WeakPolarHBondContact CG-O 3.37Å; R708-N710 PolarHBondContact NE-O 2.64Å; R708-N710 PolarHBondContact NE-OD1 3.03Å; R708-N710 PolarHBondContact NH2-OD1 2.89Å; R708-Y712 HydrophobicContact CB-CE1 3.84Å; R708-Y712 HydrophobicContact CB-CE2 3.85Å; R708-Y712 WeakPolarHBondContact CB-OH 3.48Å; R708-Y712 HydrophobicContact CG-CD1 4.11Å; R708-Y712 HydrophobicContact CG-CD2 4.23Å; R708-Y712 HydrophobicContact CG-CE1 3.64Å; R708-Y712 HydrophobicContact CG-CE2 3.8Å; R708-Y712 HydrophobicContact CG-CG 4.39Å
709	V	80.5	Confident	74.7	Confident	14 Å²	14	36.4 Å²	36.4	9%	0.085	22%	0.219	C	C	.	.			trans	-102.9	4.5	-174	-58.1	0	0	0	0	114.5	L685 E687	L685-V709 HydrophobicContact CB-CG2 3.33Å; L685-V709 HydrophobicContact CD1-CG2 4.2Å; L685-V709 HydrophobicContact CG-CG2 4.41Å; L685-V709 PolarHBondContact O-N 3.31Å; E687-V709 HydrophobicContact CB-CG1 3.72Å
710	N	77	Confident	73.3	Confident	32 Å²	32	41.2 Å²	41.2	17%	0.171	24%	0.243	C	C	.	.	S	Bend	trans	-136.4	148.8	169	66.4	-36.7	0	0	0	110.9	L685 R708 Y712	L685-N710 WeakPolarHBondContact CB-OD1 3.48Å; L685-N710 HydrophobicContact CD1-CB 4.35Å; L685-N710 PolarHBondContact N-OD1 2.92Å; L685-N710 VanDerWaalsContact N-OD1 3.1Å; R708-N710 WeakPolarHBondContact CG-O 3.37Å; R708-N710 PolarHBondContact NE-O 2.64Å; R708-N710 PolarHBondContact NE-OD1 3.03Å; R708-N710 PolarHBondContact NH2-OD1 2.89Å; N710-Y712 PolarHBondContact O-N 2.69Å
711	A	64.8	Low	72.1	Confident	68 Å²	68	43.2 Å²	43.2	56%	0.562	26%	0.261	S	S	*	.			trans	-48	137.9	-175.3	0	0	0	0	0	113	G713	A711-G713 VanDerWaalsContact C-N 3.28Å; A711-G713 PolarHBondContact O-N 2.82Å
712	Y	66.9	Low	70.7	Confident	85 Å²	85	48.2 Å²	48.2	33%	0.333	28%	0.283	S	S	.	.			trans	-65.7	-32.2	178.2	-69.7	-85.4	0	0	0	112.3	R708 N710 A715 A727	R708-Y712 HydrophobicContact CB-CE1 3.84Å; R708-Y712 HydrophobicContact CB-CE2 3.85Å; R708-Y712 WeakPolarHBondContact CB-OH 3.48Å; R708-Y712 HydrophobicContact CG-CD1 4.11Å; R708-Y712 HydrophobicContact CG-CD2 4.23Å; R708-Y712 HydrophobicContact CG-CE1 3.64Å; R708-Y712 HydrophobicContact CG-CE2 3.8Å; R708-Y712 HydrophobicContact CG-CG 4.39Å; N710-Y712 PolarHBondContact O-N 2.69Å; Y712-A715 VanDerWaalsContact O-CB 3.29Å; Y712-A715 WeakPolarHBondContact O-CB 3.28Å; Y712-A715 PolarHBondContact O-N 3.3Å; Y712-A727 HydrophobicContact CE1-CB 3.61Å; Y712-A727 WeakPolarHBondContact OH-CB 3.47Å
713	G	66.7	Low	69.7	Low	65 Å²	65	48 Å²	48	67%	0.67	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	-139.2	-175.8	0	0	0	0	0	111.6	A711 A715	A711-G713 VanDerWaalsContact C-N 3.28Å; A711-G713 PolarHBondContact O-N 2.82Å; G713-A715 VanDerWaalsContact C-N 3.32Å; G713-A715 PolarHBondContact O-N 3.21Å
714	S	66.8	Low	68.4	Low	69 Å²	69	49.2 Å²	49.2	48%	0.483	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.1	177.6	59.9	0	0	0	0	114.7	S716 H717	S714-S716 VanDerWaalsContact C-N 3.34Å; S714-S716 PolarHBondContact O-N 2.82Å; S714-H717 WeakPolarHBondContact O-CB 3.29Å; S714-H717 PolarHBondContact O-N 3.07Å
715	A	65.5	Low	67.6	Low	10 Å²	10	50.2 Å²	50.2	8%	0.083	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.9	-169.2	0	0	0	0	0	114.3	Y712 G713 F730 S731	Y712-A715 VanDerWaalsContact O-CB 3.29Å; Y712-A715 WeakPolarHBondContact O-CB 3.28Å; Y712-A715 PolarHBondContact O-N 3.3Å; G713-A715 VanDerWaalsContact C-N 3.32Å; G713-A715 PolarHBondContact O-N 3.21Å; A715-F730 HydrophobicContact CB-CD1 3.94Å; A715-F730 HydrophobicContact CB-CE1 3.85Å; A715-S731 PolarHBondContact O-N 3.47Å
716	S	67.7	Low	66.6	Low	18 Å²	18	50 Å²	50	13%	0.126	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.9	-178.3	55.4	0	0	0	0	114.1	S714 C718 I719 M720	S714-S716 VanDerWaalsContact C-N 3.34Å; S714-S716 PolarHBondContact O-N 2.82Å; S716-C718 PolarHBondContact O-N 3.11Å; S716-I719 WeakPolarHBondContact O-CG2 3.31Å; S716-I719 PolarHBondContact O-N 2.86Å; S716-M720 WeakPolarHBondContact O-CG 3.45Å; S716-M720 PolarHBondContact O-N 2.84Å; S716-M720 VanDerWaalsContact O-N 3.16Å
717	H	66.6	Low	65.1	Low	148 Å²	148	50 Å²	50	69%	0.685	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-36.1	-171.2	-179	-86.7	0	0	0	113.9	S714 I719	S714-H717 WeakPolarHBondContact O-CB 3.29Å; S714-H717 PolarHBondContact O-N 3.07Å; H717-I719 VanDerWaalsContact C-N 3.31Å; H717-I719 PolarHBondContact O-N 3.06Å
718	C	65.9	Low	63.9	Low	27 Å²	27	50.2 Å²	50.2	18%	0.182	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.7	-179.7	63.5	0	0	0	0	114.7	S716 S731	S716-C718 PolarHBondContact O-N 3.11Å; C718-S731 WeakPolarHBondContact SG-CB 3.39Å
719	I	66.5	Low	62.8	Low	2 Å²	2	49.1 Å²	49.1	1%	0.01	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-13.9	-175.7	-154	70.4	0	0	0	113.6	E622 L625 S716 H717 S721 K722 D723 L726 C729	E622-I719 HydrophobicContact CB-CD1 4.12Å; E622-I719 HydrophobicContact CG-CD1 3.75Å; L625-I719 HydrophobicContact CD1-CD1 3.99Å; S716-I719 WeakPolarHBondContact O-CG2 3.31Å; S716-I719 PolarHBondContact O-N 2.86Å; H717-I719 VanDerWaalsContact C-N 3.31Å; H717-I719 PolarHBondContact O-N 3.06Å; I719-S721 PolarHBondContact O-N 3.48Å; I719-K722 HydrophobicContact CD1-CB 3.84Å; I719-K722 HydrophobicContact CD1-CD 4.15Å; I719-K722 HydrophobicContact CG1-CB 4.33Å; I719-K722 PolarHBondContact O-N 3.36Å; I719-D723 HydrophobicContact CG1-CB 4.4Å; I719-D723 PolarHBondContact O-N 2.95Å; I719-L726 HydrophobicContact CG1-CB 4.28Å; I719-L726 HydrophobicContact CG2-CB 4.25Å; I719-C729 HydrophobicContact CB-CB 4.39Å; I719-C729 HydrophobicContact CG2-CB 3.86Å
720	M	59.1	Low	62	Low	102 Å²	102	48.9 Å²	48.9	50%	0.502	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.2	-177.8	-77.2	-177.5	67.5	0	0	113.8	S716	S716-M720 WeakPolarHBondContact O-CG 3.45Å; S716-M720 PolarHBondContact O-N 2.84Å; S716-M720 VanDerWaalsContact O-N 3.16Å
721	S	58.6	Low	60.9	Low	91 Å²	91	48.1 Å²	48.1	64%	0.636	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.6	177	59.1	0	0	0	0	114.7	S345 I719	S345-S721 WeakPolarHBondContact CA-O 3.3Å; S345-S721 WeakPolarHBondContact CB-O 3.32Å; I719-S721 PolarHBondContact O-N 3.48Å
722	K	59.3	Low	60.3	Low	107 Å²	107	46.5 Å²	46.5	47%	0.465	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-46.5	-174	-75.9	-169	170.7	-167.3	0	113.9	E622 L625 I719	E622-K722 IonicContact OE2-NZ 3.85Å; L625-K722 HydrophobicContact CD1-CD 3.89Å; I719-K722 HydrophobicContact CD1-CB 3.84Å; I719-K722 HydrophobicContact CD1-CD 4.15Å; I719-K722 HydrophobicContact CG1-CB 4.33Å; I719-K722 PolarHBondContact O-N 3.36Å
723	D	58.8	Low	59.4	Low	19 Å²	19	47 Å²	47	10%	0.102	28%	0.277	C	S	.	.			trans	-146.5	97.7	174.7	-169.9	-6.7	0	0	0	109.5	R346 R618 I719 Y725 L726	R346-D723 IonicContact NH2-OD1 3.02Å; R618-D723 IonicContact NH2-OD2 2.71Å; R618-D723 PolarHBondContact NH2-OD2 2.99Å; I719-D723 HydrophobicContact CG1-CB 4.4Å; I719-D723 PolarHBondContact O-N 2.95Å; D723-Y725 PolarHBondContact O-N 3.37Å; D723-Y725 PolarHBondContact OD1-N 2.87Å; D723-Y725 VanDerWaalsContact OD1-N 3.09Å; D723-L726 HydrophobicContact CB-CB 4.25Å; D723-L726 HydrophobicContact CB-CD1 4.18Å; D723-L726 PolarHBondContact O-N 3.14Å; D723-L726 VanDerWaalsContact O-N 3.13Å; D723-L726 VanDerWaalsContact OD2-CD1 3.26Å; D723-L726 WeakPolarHBondContact OD2-CD1 3.06Å
724	S	53.7	Low	58.3	Low	46 Å²	46	47 Å²	47	32%	0.322	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.7	-179.8	55	0	0	0	0	113.7
725	Y	53.2	Low	56.9	Low	78 Å²	78	46.2 Å²	46.2	31%	0.306	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.3	176.4	-88.1	-98.4	0	0	0	113.6	Y139 R343 D723 A727	Y139-Y725 WeakPolarHBondContact OH-CE2 3.02Å; Y139-Y725 PolarHBondContact OH-OH 2.77Å; Y139-Y725 VanDerWaalsContact OH-OH 3.11Å; R343-Y725 VanDerWaalsContact NH1-CE2 3.3Å; D723-Y725 PolarHBondContact O-N 3.37Å; D723-Y725 PolarHBondContact OD1-N 2.87Å; D723-Y725 VanDerWaalsContact OD1-N 3.09Å; Y725-A727 PolarHBondContact O-N 3Å
726	L	52.5	Low	55.5	Low	8 Å²	8	50.8 Å²	50.8	4%	0.042	28%	0.276	C	S	.	.			trans	-77.6	61.3	177.1	-126.2	105.2	0	0	0	111.6	R618 L619 I719 D723 I728 C729	R618-L726 HydrophobicContact CG-CD1 4.23Å; L619-L726 HydrophobicContact CD2-CD2 3.46Å; L619-L726 VanDerWaalsContact CD2-CD2 3.46Å; I719-L726 HydrophobicContact CG1-CB 4.28Å; I719-L726 HydrophobicContact CG2-CB 4.25Å; D723-L726 HydrophobicContact CB-CB 4.25Å; D723-L726 HydrophobicContact CB-CD1 4.18Å; D723-L726 PolarHBondContact O-N 3.14Å; D723-L726 VanDerWaalsContact O-N 3.13Å; D723-L726 VanDerWaalsContact OD2-CD1 3.26Å; D723-L726 WeakPolarHBondContact OD2-CD1 3.06Å; L726-I728 PolarHBondContact O-N 3.3Å; L726-C729 HydrophobicContact CB-CB 4.4Å; L726-C729 HydrophobicContact CD2-CB 3.63Å; L726-C729 PolarHBondContact O-N 3.16Å; L726-C729 VanDerWaalsContact O-N 3.11Å
727	A	53	Low	54.1	Low	29 Å²	29	54.6 Å²	54.6	24%	0.24	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-12.4	171.9	0	0	0	0	0	114.2	Y686 Y712 Y725	Y686-A727 PolarHBondContact OH-O 3.46Å; Y712-A727 HydrophobicContact CE1-CB 3.61Å; Y712-A727 WeakPolarHBondContact OH-CB 3.47Å; Y725-A727 PolarHBondContact O-N 3Å
728	I	56.6	Low	52.6	Low	10 Å²	10	51.6 Å²	51.6	5%	0.051	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.9	-173.3	-55.7	168.1	0	0	0	111.5	F615 L619 L629 Y686 L726 F730	F615-I728 HydrophobicContact CB-CG2 3.65Å; F615-I728 HydrophobicContact CD1-CD1 3.59Å; F615-I728 HydrophobicContact CD1-CG1 4.46Å; F615-I728 HydrophobicContact CD1-CG2 4.44Å; F615-I728 HydrophobicContact CD2-CG2 4.08Å; F615-I728 HydrophobicContact CE1-CD1 3.91Å; F615-I728 HydrophobicContact CG-CD1 4.06Å; F615-I728 HydrophobicContact CG-CG2 3.81Å; L619-I728 HydrophobicContact CD1-CG2 4.27Å; L619-I728 HydrophobicContact CD2-CB 4.35Å; L619-I728 HydrophobicContact CD2-CG2 4.15Å; L619-I728 HydrophobicContact CG-CG2 4.22Å; L629-I728 HydrophobicContact CD1-CG2 3.42Å; L629-I728 VanDerWaalsContact CD1-CG2 3.42Å; Y686-I728 HydrophobicContact CE1-CG1 4.28Å; L726-I728 PolarHBondContact O-N 3.3Å; I728-F730 WeakPolarHBondContact O-CD2 3.45Å
729	C	59.9	Low	51	Low	3 Å²	3	54.8 Å²	54.8	2%	0.02	30%	0.297	C	S	.	.			trans	-71.8	137	-177	-171.8	0	0	0	0	113.1	L619 C626 I719 L726	L619-C729 HydrophobicContact CD2-CB 4.26Å; C626-C729 HydrophobicContact CB-CB 4.14Å; C626-C729 WeakPolarHBondContact CB-SG 3.29Å; C626-C729 WeakPolarHBondContact SG-CB 3.05Å; C626-C729 CovalentContact SG-SG 2.04Å; C626-C729 PolarHBondContact SG-SG 2.61Å; I719-C729 HydrophobicContact CB-CB 4.39Å; I719-C729 HydrophobicContact CG2-CB 3.86Å; L726-C729 HydrophobicContact CB-CB 4.4Å; L726-C729 HydrophobicContact CD2-CB 3.63Å; L726-C729 PolarHBondContact O-N 3.16Å; L726-C729 VanDerWaalsContact O-N 3.11Å
730	F	62.1	Low	49.4	Very low	9 Å²	9	57.9 Å²	57.9	4%	0.039	32%	0.319	C	S	.	.			trans	-120.9	119.3	165.1	-70.9	-82.9	0	0	0	110.7	C626 S627 L629 P681 R682 A684 Y686 A715 I728 S732	C626-F730 CarbonylContact C-O 3.55Å; C626-F730 VanDerWaalsContact CA-O 3.24Å; C626-F730 WeakPolarHBondContact CA-O 3.42Å; S627-F730 PolarHBondContact N-O 3.42Å; S627-F730 PolarHBondContact OG-O 2.8Å; L629-F730 HydrophobicContact CD1-CE2 4.46Å; L629-F730 HydrophobicContact CD2-CD2 3.36Å; L629-F730 HydrophobicContact CD2-CE2 3.51Å; L629-F730 HydrophobicContact CD2-CG 4.49Å; L629-F730 HydrophobicContact CG-CD2 4.37Å; P681-F730 HydrophobicContact CG-CB 4.18Å; P681-F730 HydrophobicContact CG-CG 4.26Å; R682-F730 HydrophobicContact CB-CE1 4.38Å; A684-F730 HydrophobicContact CB-CE1 4.21Å; A684-F730 HydrophobicContact CB-CE2 4.01Å; A684-F730 HydrophobicContact CB-CZ 3.39Å; Y686-F730 VanDerWaalsContact OH-CE2 3.29Å; Y686-F730 WeakPolarHBondContact OH-CE2 3.44Å; A715-F730 HydrophobicContact CB-CD1 3.94Å; A715-F730 HydrophobicContact CB-CE1 3.85Å; I728-F730 WeakPolarHBondContact O-CD2 3.45Å; F730-S732 PolarHBondContact O-N 2.93Å
731	S	54.3	Low	48.4	Very low	17 Å²	17	55.9 Å²	55.9	12%	0.119	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-48.5	119.6	-177.7	-172.3	0	0	0	0	114.2	L625 A715 C718 L733 P735	L625-S731 CarbonylContact O-C 3.57Å; L625-S731 WeakPolarHBondContact O-CA 3.41Å; A715-S731 PolarHBondContact O-N 3.47Å; C718-S731 WeakPolarHBondContact SG-CB 3.39Å; S731-L733 VanDerWaalsContact C-N 3.26Å; S731-L733 PolarHBondContact OG-N 3.33Å; S731-P735 VanDerWaalsContact O-CD 3.24Å; S731-P735 WeakPolarHBondContact O-CD 3.19Å
732	S	52.8	Low	47.2	Very low	34 Å²	34	59.2 Å²	59.2	24%	0.238	32%	0.317	C	S	.	.	S	Bend	trans	-71.5	-19.2	170.8	63.5	0	0	0	0	112.8	K624 L625 F730 P735	K624-S732 PolarHBondContact O-OG 3.24Å; L625-S732 WeakPolarHBondContact CA-OG 3.08Å; L625-S732 PolarHBondContact O-N 3.05Å; L625-S732 PolarHBondContact O-OG 3.24Å; F730-S732 PolarHBondContact O-N 2.93Å; S732-P735 WeakPolarHBondContact O-CD 3.41Å
733	L	47.7	Very low	46	Very low	96 Å²	96	58.1 Å²	58.1	50%	0.503	32%	0.319	S	S	.	.	S	Bend	trans	-81.1	-19.4	-178	-75.4	160.5	0	0	0	113.2	L625 S731	L625-L733 HydrophobicContact CD2-CD1 3.79Å; S731-L733 VanDerWaalsContact C-N 3.26Å; S731-L733 PolarHBondContact OG-N 3.33Å
734	Q	43.2	Very low	44.9	Very low	63 Å²	63	62.1 Å²	62.1	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-78.4	-35.5	179.4	-121.7	171.4	-1	0	0	114.6	L736 V737 E738	Q734-L736 PolarHBondContact O-N 2.89Å; Q734-L736 VanDerWaalsContact O-N 3.14Å; Q734-V737 PolarHBondContact O-N 3.31Å; Q734-E738 PolarHBondContact O-N 2.72Å
735	P	37.1	Very low	44	Very low	53 Å²	53	66 Å²	66	34%	0.344	36%	0.355	S	S	.	.	H	α-helix	trans	-53.9	-26	167.9	-27	31	0	0	0	113.6	S731 S732 M739	S731-P735 VanDerWaalsContact O-CD 3.24Å; S731-P735 WeakPolarHBondContact O-CD 3.19Å; S732-P735 WeakPolarHBondContact O-CD 3.41Å; P735-M739 VanDerWaalsContact O-CA 3.32Å; P735-M739 WeakPolarHBondContact O-CA 3.39Å; P735-M739 WeakPolarHBondContact O-CB 3.46Å; P735-M739 WeakPolarHBondContact O-CG 3.11Å; P735-M739 PolarHBondContact O-N 2.76Å
736	L	36.2	Very low	42.9	Very low	107 Å²	107	67.3 Å²	67.3	56%	0.56	37%	0.367	S	S	*	.	H	α-helix	trans	-71.8	-31	174.2	-78.8	160.4	0	0	0	112.6	Q734 M739 S740	Q734-L736 PolarHBondContact O-N 2.89Å; Q734-L736 VanDerWaalsContact O-N 3.14Å; L736-M739 HydrophobicContact CD2-CE 3.75Å; L736-M739 HydrophobicContact CG-CE 4.27Å; L736-S740 WeakPolarHBondContact O-CB 3.22Å; L736-S740 PolarHBondContact O-N 2.79Å
737	V	39.4	Very low	42	Very low	97 Å²	97	69.9 Å²	69.9	59%	0.588	39%	0.386	S	S	*	.	H	α-helix	trans	-77.6	-39.8	174.2	-174.7	0	0	0	0	110.9	Q734 S740 A741	Q734-V737 PolarHBondContact O-N 3.31Å; V737-S740 PolarHBondContact O-N 2.85Å; V737-S740 PolarHBondContact O-OG 3.41Å; V737-A741 PolarHBondContact O-N 3.01Å
738	E	35.1	Very low	41.2	Very low	86 Å²	86	78.1 Å²	78.1	40%	0.402	41%	0.41	S	S	.	.	H	α-helix	trans	-77.8	-26.7	174.8	-75.9	-178.8	-153.6	0	0	112.9	R682 Q734 A741 R742	R682-E738 IonicContact NH2-OE1 3.41Å; R682-E738 PolarHBondContact NH2-OE1 2.83Å; Q734-E738 PolarHBondContact O-N 2.72Å; E738-A741 CarbonylContact O-C 3.53Å; E738-A741 PolarHBondContact O-N 3.5Å; E738-R742 VanDerWaalsContact O-CB 3.26Å; E738-R742 WeakPolarHBondContact O-CB 3.5Å; E738-R742 WeakPolarHBondContact O-CG 3.27Å; E738-R742 PolarHBondContact O-N 3.39Å
739	M	32.4	Very low	40.1	Very low	94 Å²	94	81.9 Å²	81.9	46%	0.463	43%	0.43	S	S	.	.	H	α-helix	trans	-74.1	-32.4	167.9	-79.4	-169.8	-43.3	0	0	110.3	P735 L736 A741 R742 V743	P735-M739 VanDerWaalsContact O-CA 3.32Å; P735-M739 WeakPolarHBondContact O-CA 3.39Å; P735-M739 WeakPolarHBondContact O-CB 3.46Å; P735-M739 WeakPolarHBondContact O-CG 3.11Å; P735-M739 PolarHBondContact O-N 2.76Å; L736-M739 HydrophobicContact CD2-CE 3.75Å; L736-M739 HydrophobicContact CG-CE 4.27Å; M739-A741 PolarHBondContact O-N 2.95Å; M739-R742 PolarHBondContact O-N 3.36Å; M739-V743 HydrophobicContact CB-CG2 4.13Å; M739-V743 VanDerWaalsContact O-CA 3.31Å; M739-V743 WeakPolarHBondContact O-CA 3.41Å; M739-V743 WeakPolarHBondContact O-CB 3.23Å; M739-V743 WeakPolarHBondContact O-CG2 3.4Å; M739-V743 PolarHBondContact O-N 2.92Å
740	S	32.8	Very low	38.6	Very low	67 Å²	67	88.6 Å²	88.6	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-61.9	-36.7	168.9	91	0	0	0	0	110.4	L736 V737 N744	L736-S740 WeakPolarHBondContact O-CB 3.22Å; L736-S740 PolarHBondContact O-N 2.79Å; V737-S740 PolarHBondContact O-N 2.85Å; V737-S740 PolarHBondContact O-OG 3.41Å; S740-N744 WeakPolarHBondContact O-CB 3.33Å; S740-N744 PolarHBondContact O-N 3.02Å; S740-N744 VanDerWaalsContact O-N 3.14Å; S740-N744 PolarHBondContact O-ND2 3.29Å
741	A	37.8	Very low	37.3	Very low	59 Å²	59	95.8 Å²	95.8	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-71.8	-42.9	174.4	0	0	0	0	0	113.5	V737 E738 M739 M745	V737-A741 PolarHBondContact O-N 3.01Å; E738-A741 CarbonylContact O-C 3.53Å; E738-A741 PolarHBondContact O-N 3.5Å; M739-A741 PolarHBondContact O-N 2.95Å; A741-M745 WeakPolarHBondContact O-CB 3.47Å; A741-M745 PolarHBondContact O-N 3.46Å
742	R	32.5	Very low	36.2	Very low	162 Å²	162	103.7 Å²	103.7	61%	0.611	53%	0.525	S	S	*	.	H	α-helix	trans	-82.7	-29.7	-178.4	-75.1	-176.7	-179.3	-170.7	1.8	113.5	E738 M739 M745 L746	E738-R742 VanDerWaalsContact O-CB 3.26Å; E738-R742 WeakPolarHBondContact O-CB 3.5Å; E738-R742 WeakPolarHBondContact O-CG 3.27Å; E738-R742 PolarHBondContact O-N 3.39Å; M739-R742 PolarHBondContact O-N 3.36Å; R742-M745 PolarHBondContact O-N 3.11Å; R742-L746 WeakPolarHBondContact O-CA 3.47Å; R742-L746 WeakPolarHBondContact O-CB 3.26Å; R742-L746 WeakPolarHBondContact O-CD1 3.45Å; R742-L746 VanDerWaalsContact O-CG 3.26Å; R742-L746 WeakPolarHBondContact O-CG 3.44Å; R742-L746 PolarHBondContact O-N 2.98Å
743	V	34.1	Very low	35.2	Very low	84 Å²	84	107.8 Å²	107.8	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-71.9	-33.6	169.8	176.4	0	0	0	0	109.2	M739 S747	M739-V743 HydrophobicContact CB-CG2 4.13Å; M739-V743 VanDerWaalsContact O-CA 3.31Å; M739-V743 WeakPolarHBondContact O-CA 3.41Å; M739-V743 WeakPolarHBondContact O-CB 3.23Å; M739-V743 WeakPolarHBondContact O-CG2 3.4Å; M739-V743 PolarHBondContact O-N 2.92Å; V743-S747 WeakPolarHBondContact O-CA 3.42Å; V743-S747 WeakPolarHBondContact O-CB 3.48Å; V743-S747 PolarHBondContact O-N 2.61Å
744	N	35.7	Very low	34.3	Very low	102 Å²	102	108.3 Å²	108.3	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-68.9	-35.1	168.3	-79.6	-27.8	0	0	0	112.7	S740 R748	S740-N744 WeakPolarHBondContact O-CB 3.33Å; S740-N744 PolarHBondContact O-N 3.02Å; S740-N744 VanDerWaalsContact O-N 3.14Å; S740-N744 PolarHBondContact O-ND2 3.29Å; N744-R748 VanDerWaalsContact O-CG 3.26Å; N744-R748 WeakPolarHBondContact O-CG 3.27Å; N744-R748 PolarHBondContact O-N 3.27Å
745	M	35.8	Very low	33.7	Very low	127 Å²	127	116.1 Å²	116.1	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-74.4	-42.1	176.1	-159.7	-176.6	-149.9	0	0	112.3	A741 R742 R748 L749	A741-M745 WeakPolarHBondContact O-CB 3.47Å; A741-M745 PolarHBondContact O-N 3.46Å; R742-M745 PolarHBondContact O-N 3.11Å; M745-R748 PolarHBondContact O-N 3.13Å; M745-L749 HydrophobicContact CG-CD1 4.28Å; M745-L749 PolarHBondContact O-N 3.42Å
746	L	30.7	Very low	33.4	Very low	107 Å²	107	121.3 Å²	121.3	56%	0.56	60%	0.597	S	S	*	*	H	α-helix	trans	-72.7	-37.1	176.8	-76.5	159.3	0	0	0	110.8	R742 R748 L749 F750	R742-L746 WeakPolarHBondContact O-CA 3.47Å; R742-L746 WeakPolarHBondContact O-CB 3.26Å; R742-L746 WeakPolarHBondContact O-CD1 3.45Å; R742-L746 VanDerWaalsContact O-CG 3.26Å; R742-L746 WeakPolarHBondContact O-CG 3.44Å; R742-L746 PolarHBondContact O-N 2.98Å; L746-R748 VanDerWaalsContact C-N 3.28Å; L746-R748 PolarHBondContact O-N 3.5Å; L746-L749 CarbonylContact O-C 3.54Å; L746-L749 PolarHBondContact O-N 3.28Å; L746-L749 VanDerWaalsContact O-N 3.14Å; L746-F750 WeakPolarHBondContact O-CA 3.48Å; L746-F750 WeakPolarHBondContact O-CB 3.5Å; L746-F750 PolarHBondContact O-N 3.45Å
747	S	33.4	Very low	33.1	Very low	61 Å²	61	121.6 Å²	121.6	43%	0.427	61%	0.607	S	S	.	*	H	α-helix	trans	-57.3	-41.8	170.1	171.6	0	0	0	0	111.3	V743 H751	V743-S747 WeakPolarHBondContact O-CA 3.42Å; V743-S747 WeakPolarHBondContact O-CB 3.48Å; V743-S747 PolarHBondContact O-N 2.61Å; S747-H751 PolarHBondContact O-N 2.86Å; S747-H751 VanDerWaalsContact O-N 3.17Å
748	R	35.4	Very low	32.6	Very low	202 Å²	202	126.3 Å²	126.3	76%	0.762	62%	0.62	S	S	*	*	H	α-helix	trans	-70.1	-29.8	175.6	-72.8	176.9	-175	-165.6	2.3	114	N744 M745 L746	N744-R748 VanDerWaalsContact O-CG 3.26Å; N744-R748 WeakPolarHBondContact O-CG 3.27Å; N744-R748 PolarHBondContact O-N 3.27Å; M745-R748 PolarHBondContact O-N 3.13Å; L746-R748 VanDerWaalsContact C-N 3.28Å; L746-R748 PolarHBondContact O-N 3.5Å
749	L	33.1	Very low	32.3	Very low	89 Å²	89	132.4 Å²	132.4	47%	0.466	65%	0.646	S	S	.	*	H	α-helix	trans	-85.8	-33.3	176.6	-95.3	136.3	0	0	0	113.1	M745 L746 K752 L753	M745-L749 HydrophobicContact CG-CD1 4.28Å; M745-L749 PolarHBondContact O-N 3.42Å; L746-L749 CarbonylContact O-C 3.54Å; L746-L749 PolarHBondContact O-N 3.28Å; L746-L749 VanDerWaalsContact O-N 3.14Å; L749-K752 PolarHBondContact O-N 3.35Å; L749-L753 HydrophobicContact CD2-CD1 4.07Å; L749-L753 PolarHBondContact O-N 3.24Å; L749-L753 VanDerWaalsContact O-N 3.07Å
750	F	29.3	Very low	32.3	Very low	144 Å²	144	139.2 Å²	139.2	63%	0.632	67%	0.666	S	S	*	*	H	α-helix	trans	-72.7	-34.4	-179.5	-151.4	-112.7	0	0	0	110.7	L746 K752 I754	L746-F750 WeakPolarHBondContact O-CA 3.48Å; L746-F750 WeakPolarHBondContact O-CB 3.5Å; L746-F750 PolarHBondContact O-N 3.45Å; F750-K752 VanDerWaalsContact C-N 3.31Å; F750-K752 PolarHBondContact O-N 2.8Å; F750-I754 HydrophobicContact CD1-CD1 3.43Å; F750-I754 VanDerWaalsContact CD1-CD1 3.43Å; F750-I754 HydrophobicContact CD1-CG1 4.46Å; F750-I754 HydrophobicContact CE1-CD1 3.51Å; F750-I754 HydrophobicContact CG-CD1 4.06Å; F750-I754 HydrophobicContact CZ-CD1 4.2Å; F750-I754 WeakPolarHBondContact O-CD1 3.48Å; F750-I754 VanDerWaalsContact O-CG1 3.23Å; F750-I754 WeakPolarHBondContact O-CG1 2.99Å; F750-I754 PolarHBondContact O-N 2.86Å
751	H	33.7	Very low	32.3	Very low	160 Å²	160	143.3 Å²	143.3	74%	0.741	68%	0.681	S	S	*	*	H	α-helix	trans	-70.6	-20.6	169	-90.6	-24.4	0	0	0	114.7	S747	S747-H751 PolarHBondContact O-N 2.86Å; S747-H751 VanDerWaalsContact O-N 3.17Å
752	K	31.6	Very low	32.2	Very low	183 Å²	183	146.3 Å²	146.3	80%	0.796	70%	0.697	S	S	*	*	H	α-helix	trans	-87.4	-29.4	175.6	-98.9	-178	174.9	-178.9	0	113.8	L749 F750	L749-K752 PolarHBondContact O-N 3.35Å; F750-K752 VanDerWaalsContact C-N 3.31Å; F750-K752 PolarHBondContact O-N 2.8Å
753	L	32.1	Very low	32.4	Very low	121 Å²	121	146.6 Å²	146.6	63%	0.634	70%	0.703	S	S	*	*	H	α-helix	trans	-96.6	-13.9	-173.2	-81.4	152.8	0	0	0	114.8	L749 R755	L749-L753 HydrophobicContact CD2-CD1 4.07Å; L749-L753 PolarHBondContact O-N 3.24Å; L749-L753 VanDerWaalsContact O-N 3.07Å; L753-R755 PolarHBondContact O-N 3.35Å
754	I	29.5	Very low	32.7	Very low	107 Å²	107	149 Å²	149	55%	0.549	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-9.2	177.3	-74.3	172.1	0	0	0	113.4	F750 L756	F750-I754 HydrophobicContact CD1-CD1 3.43Å; F750-I754 VanDerWaalsContact CD1-CD1 3.43Å; F750-I754 HydrophobicContact CD1-CG1 4.46Å; F750-I754 HydrophobicContact CE1-CD1 3.51Å; F750-I754 HydrophobicContact CG-CD1 4.06Å; F750-I754 HydrophobicContact CZ-CD1 4.2Å; F750-I754 WeakPolarHBondContact O-CD1 3.48Å; F750-I754 VanDerWaalsContact O-CG1 3.23Å; F750-I754 WeakPolarHBondContact O-CG1 2.99Å; F750-I754 PolarHBondContact O-N 2.86Å; I754-L756 PolarHBondContact O-N 2.78Å
755	R	30.8	Very low	32.8	Very low	226 Å²	226	148.9 Å²	148.9	85%	0.853	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-6.9	179.3	-92.2	-172.5	176.9	-173.3	-0.1	116.1	L753	L753-R755 PolarHBondContact O-N 3.35Å
756	L	30.9	Very low	32.7	Very low	163 Å²	163	153 Å²	153	85%	0.853	72%	0.724	S	S	*	*	S	Bend	trans	-145.9	75.4	-173.1	-67.1	169	0	0	0	112.2	I754	I754-L756 PolarHBondContact O-N 2.78Å
757	S	28.7	Very low	33	Very low	112 Å²	112	151.7 Å²	151.7	78%	0.783	72%	0.717	S	S	*	*			trans	-152	104.9	157.5	68.1	0	0	0	0	112.2
758	K	29.2	Very low	33.4	Very low	197 Å²	197	152.3 Å²	152.3	86%	0.857	72%	0.721	S	S	*	*			trans	-120.1	153.7	153.9	-84.6	-179.5	178.5	178.8	0	105.9
759	F	29.1	Very low	33.5	Very low	213 Å²	213	148.3 Å²	148.3	93%	0.934	71%	0.714	S	S	*	*			trans	95.3	72.2	-177	-59.8	-80.6	0	0	0	116
760	R	30.9	Very low	33.7	Very low	238 Å²	238	147.1 Å²	147.1	90%	0.898	72%	0.717	S	S	*	*			trans	-115.5	148.2	146.7	-77.6	-179.4	169.6	179.6	-3.2	106.8
761	I	34.1	Very low	34.4	Very low	152 Å²	152	145.4 Å²	145.4	78%	0.779	71%	0.713	S	S	*	*	S	Bend	trans	117.9	11.1	162.6	-52.1	154.9	0	0	0	117.5
762	C	34.8	Very low	34.9	Very low	122 Å²	122	145.7 Å²	145.7	82%	0.824	71%	0.713	S	S	*	*	S	Bend	trans	-117.6	-0.1	167.7	-64.1	0	0	0	0	116.5
763	F	36.8	Very low	35.1	Very low	168 Å²	168	143.3 Å²	143.3	74%	0.737	71%	0.708	S	S	*	*	S	Bend	trans	-88.4	-15.2	-179.9	-158.7	-104.6	0	0	0	114.2	I767	F763-I767 HydrophobicContact CD1-CD1 4.06Å; F763-I767 HydrophobicContact CE1-CD1 3.81Å
764	L	40.4	Very low	35.3	Very low	135 Å²	135	144.6 Å²	144.6	71%	0.707	71%	0.714	S	S	*	*	H	α-helix	trans	-95.9	-13.3	-171	-70.3	169.3	0	0	0	114.9	S768	L764-S768 PolarHBondContact O-OG 2.83Å
765	V	39	Very low	35.5	Very low	100 Å²	100	144.1 Å²	144.1	61%	0.606	72%	0.718	S	S	*	*	H	α-helix	trans	-83.3	-28.9	177.7	-179.6	0	0	0	0	111.4
766	W	32.8	Very low	35.7	Very low	212 Å²	212	137.2 Å²	137.2	80%	0.803	71%	0.71	S	S	*	*	H	α-helix	trans	-76.2	-30.7	-179.9	-110	79.3	0	0	0	114	S768	W766-S768 VanDerWaalsContact C-N 3.28Å; W766-S768 PolarHBondContact O-N 3.07Å
767	I	38.3	Very low	35.8	Very low	80 Å²	80	136.4 Å²	136.4	41%	0.41	71%	0.705	S	S	.	*	H	α-helix	trans	-72.1	-25.6	178.6	-64.1	177	0	0	0	111.6	F763 I771	F763-I767 HydrophobicContact CD1-CD1 4.06Å; F763-I767 HydrophobicContact CE1-CD1 3.81Å; I767-I771 HydrophobicContact CG2-CD1 3.56Å; I767-I771 HydrophobicContact CG2-CG1 4.41Å; I767-I771 WeakPolarHBondContact O-CG1 3.46Å
768	S	41	Very low	36.1	Very low	74 Å²	74	136 Å²	136	52%	0.517	70%	0.698	S	S	.	*	H	α-helix	trans	-75.5	-23.1	-178.6	-58.1	0	0	0	0	113.4	L764 W766	L764-S768 PolarHBondContact O-OG 2.83Å; W766-S768 VanDerWaalsContact C-N 3.28Å; W766-S768 PolarHBondContact O-N 3.07Å
769	I	37.1	Very low	36.2	Very low	118 Å²	118	134.2 Å²	134.2	61%	0.605	70%	0.697	S	S	*	*	H	α-helix	trans	-91.3	-34.2	-178.7	-60.9	175.3	0	0	0	111.2
770	A	37.4	Very low	36.1	Very low	65 Å²	65	135.9 Å²	135.9	54%	0.537	70%	0.697	S	S	.	*	H	α-helix	trans	-78.3	-27.1	-176.6	0	0	0	0	0	114.3
771	I	43.5	Very low	35.9	Very low	107 Å²	107	132.1 Å²	132.1	55%	0.549	69%	0.694	S	S	.	*	S	Bend	trans	-85.8	-26.5	-176.5	-64.1	178.4	0	0	0	112.3	I767 P775	I767-I771 HydrophobicContact CG2-CD1 3.56Å; I767-I771 HydrophobicContact CG2-CG1 4.41Å; I767-I771 WeakPolarHBondContact O-CG1 3.46Å; I771-P775 WeakPolarHBondContact O-CD 3.4Å
772	F	45.6	Very low	35.6	Very low	167 Å²	167	130 Å²	130	73%	0.732	69%	0.693	S	S	*	*	S	Bend	trans	-92.1	-4.1	-169.9	-90.4	-77.5	0	0	0	116.5
773	L	36.2	Very low	35.3	Very low	132 Å²	132	132.4 Å²	132.4	69%	0.691	69%	0.694	S	S	*	*	S	Bend	trans	-123.5	-0.9	-175.8	-81.2	168.4	0	0	0	117.5
774	L	34.4	Very low	34.9	Very low	148 Å²	148	128.4 Å²	128.4	78%	0.775	69%	0.692	S	S	*	*	S	Bend	trans	-108.1	-27.6	179.5	-92.5	142	0	0	0	116.4	A776	L774-A776 VanDerWaalsContact C-N 3.33Å; L774-A776 PolarHBondContact O-N 3.48Å
775	P	35.4	Very low	34.5	Very low	98 Å²	98	129.1 Å²	129.1	64%	0.636	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-1.2	174.4	-12.5	29.8	0	0	0	114.7	I771 I777	I771-P775 WeakPolarHBondContact O-CD 3.4Å; P775-I777 PolarHBondContact O-N 3.31Å
776	A	35.1	Very low	34.1	Very low	81 Å²	81	130.1 Å²	130.1	67%	0.669	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-4.6	-179.3	0	0	0	0	0	114.3	L774	L774-A776 VanDerWaalsContact C-N 3.33Å; L774-A776 PolarHBondContact O-N 3.48Å
777	I	32.1	Very low	34.2	Very low	145 Å²	145	126.3 Å²	126.3	74%	0.744	70%	0.704	S	S	*	*	S	Bend	trans	-112	-13.5	-172.8	-62	-179.2	0	0	0	114.2	P775	P775-I777 PolarHBondContact O-N 3.31Å
778	T	35.4	Very low	34.1	Very low	105 Å²	105	127.2 Å²	127.2	64%	0.644	71%	0.71	S	S	*	*	S	Bend	trans	-138.7	78.8	-177.4	59.1	0	0	0	0	112.4
779	N	30.6	Very low	33.9	Very low	158 Å²	158	127.5 Å²	127.5	85%	0.845	72%	0.717	S	S	*	*			trans	-176.1	37	142.5	-94.4	-14.5	0	0	0	112.5	L781	N779-L781 PolarHBondContact O-N 3.14Å
780	R	27.1	Very low	33.8	Very low	248 Å²	248	128.3 Å²	128.3	94%	0.936	72%	0.716	S	S	*	*			trans	-69.7	72.4	153.4	-77.4	-170	-174	-152.8	3	108.8
781	L	27.7	Very low	33.8	Very low	159 Å²	159	129 Å²	129	83%	0.832	71%	0.71	S	S	*	*			trans	-139.9	100.5	156.2	-85.2	174.1	0	0	0	107.5	N779	N779-L781 PolarHBondContact O-N 3.14Å
782	S	27.8	Very low	33.7	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	72%	0.719	S	S	*	*			trans	-53	132.8	166.9	51.5	0	0	0	0	111.1
783	M	27.3	Very low	33.5	Very low	173 Å²	173	126.4 Å²	126.4	85%	0.852	70%	0.704	S	S	*	*			trans	-142.1	83.2	145.4	-77.2	-150.4	-82.6	0	0	107.9
784	A	28.4	Very low	33.9	Very low	84 Å²	84	123.4 Å²	123.4	69%	0.694	69%	0.689	S	S	*	*			trans	-74.3	151.5	150.3	0	0	0	0	0	108
785	D	31.9	Very low	34.5	Very low	149 Å²	149	120.7 Å²	120.7	80%	0.797	68%	0.675	S	S	*	*			trans	74.1	87	173.7	-54.9	-23.5	0	0	0	117.5
786	L	31.3	Very low	35.2	Very low	122 Å²	122	119.3 Å²	119.3	64%	0.639	67%	0.667	S	S	*	*			trans	-140.9	96.9	146	-87.5	119	0	0	0	109.5	D788 L791	L786-D788 VanDerWaalsContact C-N 3.35Å; L786-L791 HydrophobicContact CB-CD2 4.02Å; L786-L791 HydrophobicContact CD2-CD2 3.84Å; L786-L791 HydrophobicContact CG-CD2 4.36Å
787	S	34.9	Very low	35.9	Very low	132 Å²	132	119.7 Å²	119.7	92%	0.923	65%	0.652	S	S	*	*			trans	-93.2	31.5	-179.8	49.3	0	0	0	0	113.3
788	D	36	Very low	36.9	Very low	99 Å²	99	116.9 Å²	116.9	53%	0.529	64%	0.638	S	S	.	*			trans	-106.7	115	-177.1	-160.8	-21.7	0	0	0	112.3	L786 K790 L791	L786-D788 VanDerWaalsContact C-N 3.35Å; D788-K790 PolarHBondContact O-N 2.96Å; D788-K790 VanDerWaalsContact O-N 3.09Å; D788-K790 WeakPolarHBondContact OD1-CB 3.44Å; D788-K790 PolarHBondContact OD1-N 3.09Å; D788-K790 VanDerWaalsContact OD1-N 3.08Å; D788-L791 WeakPolarHBondContact O-CB 2.95Å; D788-L791 PolarHBondContact O-N 2.89Å
789	A	37.8	Very low	37.8	Very low	80 Å²	80	118.3 Å²	118.3	66%	0.661	64%	0.635	S	S	*	*	H	α-helix	trans	-57.5	-21	177.7	0	0	0	0	0	113.3
790	K	34.8	Very low	38.9	Very low	135 Å²	135	111.4 Å²	111.4	59%	0.587	60%	0.6	S	S	*	*	H	α-helix	trans	-67	-38.9	174.3	-159.9	158.3	-176.1	177.3	0	112.1	D788 Q792 S793 D794	D788-K790 PolarHBondContact O-N 2.96Å; D788-K790 VanDerWaalsContact O-N 3.09Å; D788-K790 WeakPolarHBondContact OD1-CB 3.44Å; D788-K790 PolarHBondContact OD1-N 3.09Å; D788-K790 VanDerWaalsContact OD1-N 3.08Å; K790-Q792 VanDerWaalsContact C-N 3.31Å; K790-Q792 PolarHBondContact O-N 3.24Å; K790-S793 WeakPolarHBondContact O-CB 3.19Å; K790-S793 PolarHBondContact O-N 2.91Å; K790-D794 PolarHBondContact O-N 3.32Å
791	L	36.6	Very low	40.2	Very low	80 Å²	80	100.8 Å²	100.8	42%	0.419	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-30.2	-179.1	-162.8	76.5	0	0	0	112.5	L786 D788 D794 L795	L786-L791 HydrophobicContact CB-CD2 4.02Å; L786-L791 HydrophobicContact CD2-CD2 3.84Å; L786-L791 HydrophobicContact CG-CD2 4.36Å; D788-L791 WeakPolarHBondContact O-CB 2.95Å; D788-L791 PolarHBondContact O-N 2.89Å; L791-D794 PolarHBondContact O-N 3.47Å; L791-L795 WeakPolarHBondContact O-CB 3.2Å; L791-L795 PolarHBondContact O-N 2.91Å
792	Q	41.7	Very low	41.7	Very low	157 Å²	157	97.7 Å²	97.7	73%	0.734	55%	0.547	S	S	*	.	H	α-helix	trans	-74.5	-37.7	-179.9	-147.5	168.8	6.4	0	0	112	K790 L795 S796	K790-Q792 VanDerWaalsContact C-N 3.31Å; K790-Q792 PolarHBondContact O-N 3.24Å; Q792-L795 PolarHBondContact O-N 3.24Å; Q792-S796 PolarHBondContact O-N 3.4Å
793	S	42	Very low	43.1	Very low	61 Å²	61	98 Å²	98	43%	0.427	54%	0.537	S	S	.	.	H	α-helix	trans	-59.9	-48.9	166	176.6	0	0	0	0	110.9	K790 L795 S796 Y797	K790-S793 WeakPolarHBondContact O-CB 3.19Å; K790-S793 PolarHBondContact O-N 2.91Å; S793-L795 VanDerWaalsContact C-N 3.32Å; S793-L795 PolarHBondContact O-N 3.01Å; S793-S796 PolarHBondContact O-N 2.89Å; S793-S796 PolarHBondContact O-OG 2.93Å; S793-Y797 PolarHBondContact O-N 2.78Å
794	D	43	Very low	44.7	Very low	69 Å²	69	90.6 Å²	90.6	37%	0.369	50%	0.5	S	S	.	.	H	α-helix	trans	-61.3	-39.8	179	-66.6	-19.2	0	0	0	111.6	K790 L791 S796 Y797 I798	K790-D794 PolarHBondContact O-N 3.32Å; L791-D794 PolarHBondContact O-N 3.47Å; D794-S796 VanDerWaalsContact C-N 3.34Å; D794-S796 PolarHBondContact O-N 2.99Å; D794-Y797 PolarHBondContact O-N 3.13Å; D794-I798 WeakPolarHBondContact O-CB 3.42Å; D794-I798 WeakPolarHBondContact O-CD1 3.12Å; D794-I798 WeakPolarHBondContact O-CG1 3.36Å; D794-I798 PolarHBondContact O-N 2.63Å
795	L	47.8	Very low	46.4	Very low	91 Å²	91	94.8 Å²	94.8	48%	0.476	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-36.4	178.9	-148.8	85.6	0	0	0	112.4	L791 Q792 S793 K799	L791-L795 WeakPolarHBondContact O-CB 3.2Å; L791-L795 PolarHBondContact O-N 2.91Å; Q792-L795 PolarHBondContact O-N 3.24Å; S793-L795 VanDerWaalsContact C-N 3.32Å; S793-L795 PolarHBondContact O-N 3.01Å; L795-K799 WeakPolarHBondContact O-CG 3.23Å; L795-K799 PolarHBondContact O-N 3.17Å
796	S	50.3	Low	47.8	Very low	69 Å²	69	93.9 Å²	93.9	48%	0.483	50%	0.497	S	S	.	.	H	α-helix	trans	-66.9	-42.9	173.7	78.7	0	0	0	0	111.8	Q792 S793 D794 K799 A800	Q792-S796 PolarHBondContact O-N 3.4Å; S793-S796 PolarHBondContact O-N 2.89Å; S793-S796 PolarHBondContact O-OG 2.93Å; D794-S796 VanDerWaalsContact C-N 3.34Å; D794-S796 PolarHBondContact O-N 2.99Å; S796-K799 PolarHBondContact O-N 2.93Å; S796-A800 PolarHBondContact O-N 3.26Å
797	Y	49.7	Very low	49.5	Very low	89 Å²	89	91.2 Å²	91.2	35%	0.349	48%	0.483	S	S	.	.	H	α-helix	trans	-64.7	-40.5	176.2	177.9	-102.6	0	0	0	111.2	S793 D794 A800 S801 D1291 L1313	S793-Y797 PolarHBondContact O-N 2.78Å; D794-Y797 PolarHBondContact O-N 3.13Å; Y797-A800 PolarHBondContact O-N 2.77Å; Y797-S801 WeakPolarHBondContact O-CB 3.49Å; Y797-S801 PolarHBondContact O-N 2.78Å; Y797-S801 PolarHBondContact O-OG 2.83Å; Y797-D1291 PolarHBondContact OH-OD1 3.26Å; Y797-L1313 HydrophobicContact CE2-CD2 4.37Å
798	I	52.7	Low	51	Low	86 Å²	86	93.8 Å²	93.8	44%	0.441	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-45.5	175.4	-70.2	162.9	0	0	0	110.6	D794 S801 I802	D794-I798 WeakPolarHBondContact O-CB 3.42Å; D794-I798 WeakPolarHBondContact O-CD1 3.12Å; D794-I798 WeakPolarHBondContact O-CG1 3.36Å; D794-I798 PolarHBondContact O-N 2.63Å; I798-S801 PolarHBondContact O-N 3.5Å; I798-I802 HydrophobicContact CG2-CD1 3.79Å; I798-I802 HydrophobicContact CG2-CG1 4.45Å; I798-I802 VanDerWaalsContact O-CG1 3.26Å; I798-I802 WeakPolarHBondContact O-CG1 3.31Å; I798-I802 PolarHBondContact O-N 3.43Å
799	K	54.1	Low	52.3	Low	136 Å²	136	94.3 Å²	94.3	59%	0.591	48%	0.482	S	S	*	.	H	α-helix	trans	-60.8	-46.8	176.5	-77.5	177	-178.8	178.4	0	112.1	L795 S796 I802 Q803	L795-K799 WeakPolarHBondContact O-CG 3.23Å; L795-K799 PolarHBondContact O-N 3.17Å; S796-K799 PolarHBondContact O-N 2.93Å; K799-I802 PolarHBondContact O-N 2.83Å; K799-Q803 PolarHBondContact O-N 2.03Å
800	A	53.2	Low	53.9	Low	13 Å²	13	98.7 Å²	98.7	11%	0.107	49%	0.486	C	S	.	.	H	α-helix	trans	-63.3	-41.7	176.3	0	0	0	0	0	111.7	S796 Y797 I802 Q803 L804 Q1287	S796-A800 PolarHBondContact O-N 3.26Å; Y797-A800 PolarHBondContact O-N 2.77Å; A800-I802 PolarHBondContact O-N 3.39Å; A800-Q803 PolarHBondContact O-N 2.92Å; A800-L804 WeakPolarHBondContact O-CB 3.22Å; A800-L804 WeakPolarHBondContact O-CG 3.33Å; A800-L804 PolarHBondContact O-N 2.94Å; A800-Q1287 HydrophobicContact CB-CG 4.18Å
801	S	54.3	Low	55.9	Low	25 Å²	25	94.2 Å²	94.2	18%	0.175	47%	0.469	C	S	.	.	H	α-helix	trans	-62.2	-39.8	176.8	-65.4	0	0	0	0	112.7	Y797 I798 K805	Y797-S801 WeakPolarHBondContact O-CB 3.49Å; Y797-S801 PolarHBondContact O-N 2.78Å; Y797-S801 PolarHBondContact O-OG 2.83Å; I798-S801 PolarHBondContact O-N 3.5Å; S801-K805 WeakPolarHBondContact O-CG 3.17Å; S801-K805 PolarHBondContact O-N 3.36Å
802	I	60.6	Low	58.1	Low	94 Å²	94	91.2 Å²	91.2	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-44	175	-68.8	165.7	0	0	0	110.3	I798 K799 A800 K805 L806	I798-I802 HydrophobicContact CG2-CD1 3.79Å; I798-I802 HydrophobicContact CG2-CG1 4.45Å; I798-I802 VanDerWaalsContact O-CG1 3.26Å; I798-I802 WeakPolarHBondContact O-CG1 3.31Å; I798-I802 PolarHBondContact O-N 3.43Å; K799-I802 PolarHBondContact O-N 2.83Å; A800-I802 PolarHBondContact O-N 3.39Å; I802-K805 PolarHBondContact O-N 3.4Å; I802-L806 HydrophobicContact CG2-CD1 4.05Å; I802-L806 WeakPolarHBondContact O-CG 3.47Å; I802-L806 PolarHBondContact O-N 3.38Å; I802-L806 VanDerWaalsContact O-N 3.09Å
803	Q	57	Low	60.2	Low	115 Å²	115	90.6 Å²	90.6	54%	0.537	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-40.8	176.1	-73.8	-170.5	-33.3	0	0	112.6	K799 A800 K805 L806 L807 L1284	K799-Q803 PolarHBondContact O-N 2.03Å; A800-Q803 PolarHBondContact O-N 2.92Å; Q803-K805 VanDerWaalsContact C-N 3.33Å; Q803-K805 PolarHBondContact O-N 3.15Å; Q803-L806 PolarHBondContact O-N 3.16Å; Q803-L807 WeakPolarHBondContact O-CB 3.49Å; Q803-L807 WeakPolarHBondContact O-CG 3.26Å; Q803-L807 PolarHBondContact O-N 2.96Å; Q803-L1284 HydrophobicContact CB-CD1 4.42Å
804	L	60.5	Low	62.3	Low	17 Å²	17	89.3 Å²	89.3	9%	0.089	44%	0.438	C	S	.	.	H	α-helix	trans	-60.5	-40.7	174.7	-81	160.5	0	0	0	111.9	A800 L807 R808 L811 L1284 Q1287 F1288	A800-L804 WeakPolarHBondContact O-CB 3.22Å; A800-L804 WeakPolarHBondContact O-CG 3.33Å; A800-L804 PolarHBondContact O-N 2.94Å; L804-L807 PolarHBondContact O-N 3.26Å; L804-R808 PolarHBondContact O-N 2.76Å; L804-R808 VanDerWaalsContact O-N 3.14Å; L804-L811 HydrophobicContact CD2-CD1 3.81Å; L804-L1284 HydrophobicContact CD2-CD1 3.79Å; L804-L1284 HydrophobicContact CD2-CG 4.36Å; L804-L1284 HydrophobicContact CG-CD1 3.71Å; L804-Q1287 HydrophobicContact CD1-CB 4.1Å; L804-F1288 HydrophobicContact CD2-CB 3.74Å; L804-F1288 HydrophobicContact CD2-CD2 4.1Å; L804-F1288 HydrophobicContact CD2-CG 4.36Å
805	K	65	Low	64.5	Low	171 Å²	171	90.2 Å²	90.2	74%	0.743	44%	0.44	S	S	*	.	H	α-helix	trans	-64.7	-41.1	175.2	-76.3	179.2	-178.7	-179.7	0	112.2	S801 I802 Q803	S801-K805 WeakPolarHBondContact O-CG 3.17Å; S801-K805 PolarHBondContact O-N 3.36Å; I802-K805 PolarHBondContact O-N 3.4Å; Q803-K805 VanDerWaalsContact C-N 3.33Å; Q803-K805 PolarHBondContact O-N 3.15Å
806	L	61	Low	66.3	Low	130 Å²	130	89.2 Å²	89.2	68%	0.681	44%	0.438	S	S	*	.	H	α-helix	trans	-70.3	-33.6	178.3	-73.5	163.3	0	0	0	112.9	I802 Q803	I802-L806 HydrophobicContact CG2-CD1 4.05Å; I802-L806 WeakPolarHBondContact O-CG 3.47Å; I802-L806 PolarHBondContact O-N 3.38Å; I802-L806 VanDerWaalsContact O-N 3.09Å; Q803-L806 PolarHBondContact O-N 3.16Å
807	L	67.2	Low	67.6	Low	66 Å²	66	89 Å²	89	35%	0.346	43%	0.431	S	S	.	.	H	α-helix	trans	-94.6	2.7	-176.2	-67.9	170.1	0	0	0	114.3	Q803 L804 P809 F810 L1284	Q803-L807 WeakPolarHBondContact O-CB 3.49Å; Q803-L807 WeakPolarHBondContact O-CG 3.26Å; Q803-L807 PolarHBondContact O-N 2.96Å; L804-L807 PolarHBondContact O-N 3.26Å; L807-P809 VanDerWaalsContact C-N 3.3Å; L807-P809 VanDerWaalsContact O-N 3.11Å; L807-F810 HydrophobicContact CD2-CD2 4.25Å; L807-F810 PolarHBondContact O-N 3.32Å; L807-L1284 HydrophobicContact CD1-CD2 3.5Å; L807-L1284 VanDerWaalsContact CD1-CD2 3.5Å
808	R	65.2	Low	68.6	Low	186 Å²	186	89.3 Å²	89.3	70%	0.702	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-49.3	-37.1	-175.5	-160.3	169.3	-173.1	-177	-0.1	115.5	L804 F810 L811	L804-R808 PolarHBondContact O-N 2.76Å; L804-R808 VanDerWaalsContact O-N 3.14Å; R808-F810 PolarHBondContact O-N 3.47Å; R808-L811 PolarHBondContact O-N 3.08Å
809	P	64.6	Low	69.1	Low	111 Å²	111	88.4 Å²	88.4	72%	0.721	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-64.9	-18.4	175.8	-21.8	33.9	0	0	0	114.9	L807	L807-P809 VanDerWaalsContact C-N 3.3Å; L807-P809 VanDerWaalsContact O-N 3.11Å
810	F	70.6	Confident	69.1	Low	172 Å²	172	87.4 Å²	87.4	75%	0.754	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-102.2	-3.6	-177.9	-57.3	-78.6	0	0	0	113.3	L807 R808	L807-F810 HydrophobicContact CD2-CD2 4.25Å; L807-F810 PolarHBondContact O-N 3.32Å; R808-F810 PolarHBondContact O-N 3.47Å
811	L	77.5	Confident	69	Low	41 Å²	41	89.4 Å²	89.4	22%	0.215	43%	0.431	C	S	.	.	S	Bend	trans	-85.1	150.9	178.1	-65.8	172.6	0	0	0	110.9	L804 R808 F1288	L804-L811 HydrophobicContact CD2-CD1 3.81Å; R808-L811 PolarHBondContact O-N 3.08Å; L811-F1288 HydrophobicContact CB-CE2 4.04Å; L811-F1288 HydrophobicContact CB-CZ 4.16Å; L811-F1288 HydrophobicContact CD1-CD2 3.68Å; L811-F1288 HydrophobicContact CD1-CE2 3.83Å; L811-F1288 HydrophobicContact CD1-CG 4.44Å; L811-F1288 HydrophobicContact CD2-CD2 4.25Å; L811-F1288 HydrophobicContact CD2-CG 4.24Å; L811-F1288 HydrophobicContact CG-CD2 4.37Å; L811-F1288 HydrophobicContact CG-CE2 4.36Å
812	P	81.6	Confident	68.8	Low	16 Å²	16	90.9 Å²	90.9	10%	0.104	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-70	153.4	-178.9	31.2	-36.4	0	0	0	112.2	F1288 Y1374 K1379 L1381	P812-F1288 HydrophobicContact CG-CE1 3.62Å; P812-F1288 HydrophobicContact CG-CZ 4.1Å; P812-Y1374 HydrophobicContact CB-CD2 4.07Å; P812-Y1374 HydrophobicContact CB-CE2 3.42Å; P812-Y1374 VanDerWaalsContact CB-CE2 3.42Å; P812-Y1374 HydrophobicContact CG-CD2 4.2Å; P812-Y1374 HydrophobicContact CG-CE2 3.81Å; P812-K1379 CarbonylContact C-O 3.54Å; P812-K1379 VanDerWaalsContact CA-O 3.23Å; P812-K1379 WeakPolarHBondContact CA-O 3.42Å; P812-K1379 HydrophobicContact CB-CB 4.43Å; P812-K1379 WeakPolarHBondContact CB-O 3.39Å; P812-L1381 HydrophobicContact CG-CB 4.33Å
813	F	85.4	Confident	68.2	Low	145 Å²	145	91.9 Å²	91.9	64%	0.636	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	143.1	170.4	179.4	-98	0	0	0	109.8	E815 K1379 V1380 L1381	F813-E815 HydrophobicContact CE1-CB 4.35Å; F813-K1379 PolarHBondContact N-O 3.29Å; F813-V1380 HydrophobicContact CB-CG2 4.48Å; F813-V1380 HydrophobicContact CD1-CG1 4.45Å; F813-V1380 HydrophobicContact CD1-CG2 4.35Å; F813-V1380 CarbonylContact O-C 3.56Å; F813-V1380 VanDerWaalsContact O-CA 3.26Å; F813-V1380 WeakPolarHBondContact O-CA 3.11Å; F813-L1381 PolarHBondContact O-N 3.02Å
814	V	88	Confident	67.5	Low	33 Å²	33	93.1 Å²	93.1	20%	0.2	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.7	-177.5	-177.5	0	0	0	0	109.6	V816 F1288 E1292 L1381 I1383	V814-V816 HydrophobicContact CG1-CG2 4.33Å; V814-F1288 HydrophobicContact CG2-CZ 3.86Å; V814-E1292 HydrophobicContact CG2-CB 4.38Å; V814-E1292 HydrophobicContact CG2-CG 3.82Å; V814-L1381 WeakPolarHBondContact CA-O 3.32Å; V814-L1381 HydrophobicContact CG2-CB 4.36Å; V814-L1381 HydrophobicContact CG2-CD2 4.37Å; V814-I1383 HydrophobicContact CG1-CD1 3.77Å; V814-I1383 HydrophobicContact CG1-CG1 4.23Å
815	E	87.5	Confident	66.9	Low	89 Å²	89	96.3 Å²	96.3	42%	0.416	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.6	173.8	178.7	178.2	-177.4	0	0	108.6	F813 L817 V1380 L1381 L1382 I1383	F813-E815 HydrophobicContact CE1-CB 4.35Å; E815-L817 HydrophobicContact CG-CD2 4.13Å; E815-V1380 HydrophobicContact CB-CG1 3.91Å; E815-L1381 PolarHBondContact N-O 3.2Å; E815-L1382 HydrophobicContact CB-CD2 3.95Å; E815-L1382 HydrophobicContact CG-CD2 4.15Å; E815-L1382 WeakPolarHBondContact O-CA 3.37Å; E815-L1382 WeakPolarHBondContact OE2-CD2 3.46Å; E815-I1383 PolarHBondContact O-N 3.36Å
816	V	85.6	Confident	65.6	Low	69 Å²	69	96.2 Å²	96.2	42%	0.418	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120	-179.2	-177.4	0	0	0	0	108.2	V814 A1296 I1383 L1385	V814-V816 HydrophobicContact CG1-CG2 4.33Å; V816-A1296 HydrophobicContact CG1-CB 4.22Å; V816-A1296 HydrophobicContact CG2-CB 3.95Å; V816-I1383 CarbonylContact C-O 3.5Å; V816-I1383 WeakPolarHBondContact CA-O 3.29Å; V816-I1383 HydrophobicContact CG2-CB 4.39Å; V816-L1385 HydrophobicContact CG1-CD1 3.69Å; V816-L1385 HydrophobicContact CG1-CG 3.83Å
817	L	79	Confident	64.8	Low	66 Å²	66	96.9 Å²	96.9	35%	0.346	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	145	179.6	-59.9	177.7	0	0	0	110.3	E815 L1382 I1383 L1385	E815-L817 HydrophobicContact CG-CD2 4.13Å; L817-L1382 HydrophobicContact CD1-CD2 4.32Å; L817-I1383 PolarHBondContact N-O 3.01Å; L817-L1385 PolarHBondContact O-N 3.26Å; L817-L1385 VanDerWaalsContact O-N 3.1Å
818	Q	69.6	Low	63.4	Low	94 Å²	94	103.9 Å²	103.9	44%	0.439	50%	0.503	S	S	.	.			trans	-148.6	125.8	171.4	-170.7	-175.3	-10.9	0	0	107.4
819	K	63	Low	62.6	Low	68 Å²	68	100.1 Å²	100.1	30%	0.296	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-68.2	147.2	179.2	-66	178.5	-178.3	177.8	0	110.6	E1019 D1386	K819-E1019 HydrophobicContact CB-CG 4.2Å; K819-E1019 HydrophobicContact CD-CG 4.16Å; K819-D1386 WeakPolarHBondContact CB-OD2 3.22Å; K819-D1386 PolarHBondContact N-OD2 3.21Å
820	Q	54.3	Low	61.8	Low	115 Å²	115	96.8 Å²	96.8	54%	0.537	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-103.8	126.7	174.5	-73.5	-172.8	-23.7	0	0	109.4	K823 H825	Q820-K823 HydrophobicContact CB-CD 4.47Å; Q820-K823 PolarHBondContact O-N 3.38Å; Q820-H825 PolarHBondContact N-NE2 2.74Å
821	Y	52.3	Low	60.7	Low	54 Å²	54	93.3 Å²	93.3	21%	0.212	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	138.2	175.4	-70.1	-98	0	0	0	111.6	E1018 R1025 Y1407	Y821-E1018 HydrophobicContact CE1-CG 4.02Å; Y821-R1025 VanDerWaalsContact CE2-CZ 3.49Å; Y821-R1025 PolarHBondContact OH-NH1 3.22Å; Y821-Y1407 WeakPolarHBondContact OH-CE1 3.11Å; Y821-Y1407 WeakPolarHBondContact OH-CE2 3.26Å; Y821-Y1407 PolarHBondContact OH-OH 3.16Å
822	G	49.5	Very low	59.4	Low	56 Å²	56	93.2 Å²	93.2	58%	0.577	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	5.6	176.9	0	0	0	0	0	115.5	E1019	G822-E1019 PolarHBondContact N-O 3.43Å
823	K	47.1	Very low	58.1	Low	116 Å²	116	93 Å²	93	50%	0.504	47%	0.465	S	S	.	.			trans	-111.1	126.2	172.8	-75.1	-177.3	177.7	169.3	0	110.7	Q820 H825	Q820-K823 HydrophobicContact CB-CD 4.47Å; Q820-K823 PolarHBondContact O-N 3.38Å; K823-H825 PolarHBondContact O-CD2 2.97Å; K823-H825 PolarHBondContact O-N 3.16Å
824	E	43.2	Very low	57.1	Low	141 Å²	141	88 Å²	88	66%	0.659	45%	0.451	S	S	*	.			trans	-64	116.9	164.5	-80.3	-174.3	169.1	0	0	109.1	L826 K1016	E824-L826 PolarHBondContact O-N 2.91Å; E824-K1016 IonicContact OE1-NZ 3.61Å
825	H	47.8	Very low	56.4	Low	84 Å²	84	87.6 Å²	87.6	39%	0.389	45%	0.453	S	S	.	.			trans	-90.1	100.7	176.5	-73.8	-71	0	0	0	109.5	Q820 K823 F827	Q820-H825 PolarHBondContact N-NE2 2.74Å; K823-H825 PolarHBondContact O-CD2 2.97Å; K823-H825 PolarHBondContact O-N 3.16Å; H825-F827 VanDerWaalsContact C-N 3.32Å; H825-F827 PolarHBondContact O-N 2.83Å
826	L	37.1	Very low	56	Low	168 Å²	168	84.5 Å²	84.5	88%	0.88	44%	0.441	S	S	*	.			trans	-70.5	82.6	171.3	-78.1	156	0	0	0	110.3	E824 K828	E824-L826 PolarHBondContact O-N 2.91Å; L826-K828 PolarHBondContact O-N 3.39Å
827	F	44.3	Very low	55.4	Low	144 Å²	144	86.5 Å²	86.5	63%	0.632	45%	0.453	S	S	*	.			trans	-64.2	130.7	152.8	-85.9	-84.4	0	0	0	107.3	H825 K829	H825-F827 VanDerWaalsContact C-N 3.32Å; H825-F827 PolarHBondContact O-N 2.83Å; F827-K829 VanDerWaalsContact C-N 3.31Å; F827-K829 PolarHBondContact O-N 2.03Å
828	K	37.9	Very low	55	Low	213 Å²	213	87.7 Å²	87.7	93%	0.926	45%	0.453	S	S	*	.			trans	-59.4	98.8	170.3	-82.6	-174.4	177.6	-179.9	0	107.7	L826 S830	L826-K828 PolarHBondContact O-N 3.39Å; K828-S830 PolarHBondContact O-N 2.88Å
829	K	48.6	Very low	55	Low	107 Å²	107	84.6 Å²	84.6	47%	0.465	44%	0.441	S	S	.	.			trans	-63.4	120.7	177.6	-66	-179.4	-178.1	174.2	0	108	F827 V831 S1245	F827-K829 VanDerWaalsContact C-N 3.31Å; F827-K829 PolarHBondContact O-N 2.03Å; K829-V831 PolarHBondContact O-N 3.32Å; K829-S1245 WeakPolarHBondContact CD-O 3.34Å
830	S	47.9	Very low	55.1	Low	41 Å²	41	86.2 Å²	86.2	29%	0.287	46%	0.457	S	S	.	.			trans	-67.9	124.8	170.4	-174.5	0	0	0	0	107.7	K828 V832 N1263	K828-S830 PolarHBondContact O-N 2.88Å; S830-V832 PolarHBondContact O-N 2.8Å; S830-V832 PolarHBondContact OG-N 3.4Å; S830-V832 PolarHBondContact OG-O 2.74Å; S830-N1263 PolarHBondContact O-ND2 3Å
831	V	47.7	Very low	56.1	Low	100 Å²	100	82.1 Å²	82.1	61%	0.606	44%	0.438	S	S	*	.	S	Bend	trans	-72.5	-17.8	170.3	-174.3	0	0	0	0	110.4	K829	K829-V831 PolarHBondContact O-N 3.32Å
832	V	49.5	Very low	57.2	Low	39 Å²	39	83.9 Å²	83.9	24%	0.236	45%	0.451	C	S	.	.	S	Bend	trans	-108.7	115.7	-179.7	-174.5	0	0	0	0	110.3	S830 A1330 F1331	S830-V832 PolarHBondContact O-N 2.8Å; S830-V832 PolarHBondContact OG-N 3.4Å; S830-V832 PolarHBondContact OG-O 2.74Å; V832-A1330 HydrophobicContact CB-CB 3.86Å; V832-A1330 HydrophobicContact CG1-CB 4.29Å; V832-A1330 HydrophobicContact CG2-CB 3.63Å; V832-F1331 VanDerWaalsContact CG2-O 3.25Å; V832-F1331 WeakPolarHBondContact CG2-O 3.11Å
833	G	55.2	Low	58.9	Low	11 Å²	11	84 Å²	84	11%	0.113	44%	0.438	C	S	.	.			trans	-98	154	174.7	0	0	0	0	0	113.5	S1258 D1260 N1263	G833-S1258 CarbonylContact C-O 3.53Å; G833-S1258 WeakPolarHBondContact CA-O 3.47Å; G833-S1258 WeakPolarHBondContact O-CB 3.4Å; G833-D1260 VanDerWaalsContact CA-OD2 3.26Å; G833-D1260 WeakPolarHBondContact CA-OD2 3.37Å; G833-N1263 WeakPolarHBondContact CA-OD1 3.5Å
834	A	64.1	Low	60.6	Low	40 Å²	40	83.4 Å²	83.4	33%	0.331	44%	0.44	S	S	.	.			trans	-89.3	-10.3	178.1	0	0	0	0	0	114.4	S1258 D1260 F1328	A834-S1258 PolarHBondContact N-O 2.97Å; A834-D1260 PolarHBondContact N-OD2 3.04Å; A834-F1328 HydrophobicContact CB-CD1 3.47Å; A834-F1328 VanDerWaalsContact CB-CD1 3.47Å; A834-F1328 HydrophobicContact CB-CD2 3.94Å; A834-F1328 HydrophobicContact CB-CE1 3.28Å; A834-F1328 HydrophobicContact CB-CE2 3.77Å; A834-F1328 HydrophobicContact CB-CG 3.8Å; A834-F1328 HydrophobicContact CB-CZ 3.45Å; A834-F1328 VanDerWaalsContact CB-CZ 3.45Å; A834-F1328 WeakPolarHBondContact O-CE1 3.4Å
835	G	73.5	Confident	62.3	Low	24 Å²	24	77 Å²	77	25%	0.247	41%	0.411	C	S	.	.			trans	82	154.2	-169.9	0	0	0	0	0	113.2	S1258 R1259	G835-S1258 WeakPolarHBondContact CA-O 3.22Å; G835-S1258 PolarHBondContact N-O 3.16Å; G835-R1259 CarbonylContact C-O 3.58Å; G835-R1259 WeakPolarHBondContact CA-O 3.46Å
836	C	79.7	Confident	63.7	Low	25 Å²	25	74.5 Å²	74.5	17%	0.169	40%	0.402	C	S	.	.			trans	-105.4	130.5	173.8	177.5	0	0	0	0	110.9	M997 L1220 R1259 C1273	C836-M997 HydrophobicContact CB-CE 4.01Å; C836-M997 WeakPolarHBondContact SG-CE 3.41Å; C836-L1220 HydrophobicContact CB-CB 3.88Å; C836-L1220 HydrophobicContact CB-CD2 4.03Å; C836-L1220 HydrophobicContact CB-CG 4.44Å; C836-R1259 PolarHBondContact N-O 3.31Å; C836-R1259 VanDerWaalsContact N-O 3.1Å; C836-C1273 HydrophobicContact CB-CB 3.88Å; C836-C1273 WeakPolarHBondContact CB-SG 3.26Å; C836-C1273 WeakPolarHBondContact SG-CB 3.3Å; C836-C1273 CovalentContact SG-SG 2.02Å; C836-C1273 PolarHBondContact SG-SG 3.14Å
837	V	71.1	Confident	65.5	Low	110 Å²	110	68.7 Å²	68.7	67%	0.667	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-95	125.2	171.6	-177.7	0	0	0	0	109.1
838	R	71.4	Confident	67.2	Low	91 Å²	91	61.8 Å²	61.8	34%	0.343	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-60.4	128.6	178.1	-176.2	178.1	176.4	-178.7	5	111.7	E996 M997	R838-E996 IonicContact CZ-OE2 3.78Å; R838-E996 IonicContact NH1-OE2 3.9Å; R838-E996 PolarHBondContact NH1-OE2 2.9Å; R838-E996 IonicContact NH2-OE2 2.83Å; R838-E996 PolarHBondContact NH2-OE2 2.88Å; R838-M997 HydrophobicContact CB-CE 4Å; R838-M997 HydrophobicContact CB-CG 3.98Å; R838-M997 HydrophobicContact CB-SD 3.78Å; R838-M997 HydrophobicContact CG-CG 3.86Å; R838-M997 HydrophobicContact CG-SD 4.33Å
839	P	69.2	Low	69.5	Low	29 Å²	29	55.1 Å²	55.1	19%	0.188	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-69.5	137.8	170.6	28.7	-33.4	0	0	0	110.9	L1187	P839-L1187 HydrophobicContact CB-CD1 4.23Å; P839-L1187 HydrophobicContact CB-CD2 4.29Å
840	T	66	Low	71.1	Confident	102 Å²	102	54.3 Å²	54.3	63%	0.626	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-78	126.1	172.5	50.1	0	0	0	0	110.1
841	Q	74.6	Confident	72.8	Confident	30 Å²	30	54.7 Å²	54.7	14%	0.14	31%	0.309	C	S	.	.			trans	-125	135.8	176.3	-71.2	171.3	-54.8	0	0	108.4	M973 L1187	Q841-M973 HydrophobicContact CB-CE 3.43Å; Q841-M973 VanDerWaalsContact CB-CE 3.43Å; Q841-M973 HydrophobicContact CB-CG 4.21Å; Q841-L1187 HydrophobicContact CG-CB 4.4Å
842	N	75.3	Confident	74.7	Confident	90 Å²	90	51.5 Å²	51.5	48%	0.481	29%	0.289	S	S	.	.			trans	-98.5	124.1	179.4	-177.7	-3.4	0	0	0	110	N844 D845 Q1184	N842-N844 PolarHBondContact O-N 2.93Å; N842-N844 PolarHBondContact OD1-N 3.35Å; N842-D845 HydrophobicContact CB-CB 4.36Å; N842-D845 WeakPolarHBondContact O-CB 3.01Å; N842-D845 PolarHBondContact O-N 3.12Å; N842-Q1184 PolarHBondContact O-NE2 3Å; N842-Q1184 PolarHBondContact O-OE1 3.5Å
843	I	85	Confident	76.5	Confident	59 Å²	59	53.4 Å²	53.4	30%	0.303	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.7	177.1	-167	170.3	0	0	0	112.3	M973 M976 R977	I843-M973 HydrophobicContact CB-SD 4.46Å; I843-M976 HydrophobicContact CD1-CB 4.03Å; I843-M976 HydrophobicContact CD1-CE 4.25Å; I843-R977 HydrophobicContact CD1-CG 4.46Å; I843-R977 HydrophobicContact CG1-CG 3.8Å; I843-R977 WeakPolarHBondContact O-CD 3.46Å; I843-R977 PolarHBondContact O-NH1 3Å
844	N	83.9	Confident	78	Confident	104 Å²	104	57.4 Å²	57.4	56%	0.556	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	34.5	-178.8	-63.1	-29.4	0	0	0	112.7	N842 S846 M849	N842-N844 PolarHBondContact O-N 2.93Å; N842-N844 PolarHBondContact OD1-N 3.35Å; N844-S846 PolarHBondContact O-N 3.43Å; N844-M849 HydrophobicContact CB-CG 4.45Å
845	D	79.6	Confident	79.2	Confident	7 Å²	7	56.5 Å²	56.5	4%	0.037	32%	0.318	C	S	.	.			trans	-50.5	124.4	173	176.4	-79.7	0	0	0	111.8	F646 N842 E847 V848 M849 Q1184	F646-D845 HydrophobicContact CE1-CB 4.46Å; F646-D845 VanDerWaalsContact CE1-OD1 3.29Å; F646-D845 WeakPolarHBondContact CE1-OD1 3.48Å; F646-D845 VanDerWaalsContact CE1-OD2 3.25Å; F646-D845 WeakPolarHBondContact CE1-OD2 3.28Å; F646-D845 WeakPolarHBondContact CZ-OD2 3.15Å; N842-D845 HydrophobicContact CB-CB 4.36Å; N842-D845 WeakPolarHBondContact O-CB 3.01Å; N842-D845 PolarHBondContact O-N 3.12Å; D845-E847 VanDerWaalsContact C-N 3.27Å; D845-E847 PolarHBondContact O-N 3.39Å; D845-E847 WeakPolarHBondContact OD1-CB 3.08Å; D845-E847 PolarHBondContact OD1-N 3.36Å; D845-E847 VanDerWaalsContact OD1-N 3.12Å; D845-V848 HydrophobicContact CB-CB 4.18Å; D845-V848 HydrophobicContact CB-CG2 4.13Å; D845-V848 PolarHBondContact O-N 2.94Å; D845-V848 VanDerWaalsContact OD1-CG2 3.27Å; D845-V848 WeakPolarHBondContact OD1-CG2 3.3Å; D845-V848 PolarHBondContact OD1-N 3.04Å; D845-M849 WeakPolarHBondContact O-CB 3.33Å; D845-M849 WeakPolarHBondContact O-CG 3.23Å; D845-M849 PolarHBondContact O-N 3.39Å; D845-Q1184 HydrophobicContact CB-CB 4.45Å; D845-Q1184 VanDerWaalsContact CB-CD 3.43Å; D845-Q1184 HydrophobicContact CB-CG 4.47Å; D845-Q1184 VanDerWaalsContact CB-NE2 3.27Å; D845-Q1184 WeakPolarHBondContact OD2-CB 3.42Å; D845-Q1184 PolarHBondContact OD2-OE1 3.35Å
846	S	75.2	Confident	79.8	Confident	31 Å²	31	60.2 Å²	60.2	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-75.5	-11.5	-168	81.1	0	0	0	0	114.8	F646 N844 K850	F646-S846 WeakPolarHBondContact CB-OG 3.46Å; F646-S846 WeakPolarHBondContact CD1-OG 3.45Å; F646-S846 WeakPolarHBondContact CG-OG 3.13Å; N844-S846 PolarHBondContact O-N 3.43Å; S846-K850 VanDerWaalsContact O-CD 3.3Å; S846-K850 WeakPolarHBondContact O-CD 3.38Å; S846-K850 WeakPolarHBondContact O-CE 3.31Å; S846-K850 VanDerWaalsContact O-CG 3.28Å; S846-K850 WeakPolarHBondContact O-CG 3.45Å
847	E	74.8	Confident	80.1	Confident	45 Å²	45	64.2 Å²	64.2	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-81	-46.5	173.5	-108.5	179.1	-169.6	0	0	108.1	D645 F646 D845 T1182 K1183	D645-E847 VanDerWaalsContact C-CD 3.49Å; D645-E847 WeakPolarHBondContact O-CG 3.04Å; F646-E847 HydrophobicContact CD1-CB 3.67Å; F646-E847 HydrophobicContact CD1-CG 3.77Å; F646-E847 HydrophobicContact CE1-CB 3.7Å; F646-E847 HydrophobicContact CE1-CG 4.2Å; D845-E847 VanDerWaalsContact C-N 3.27Å; D845-E847 PolarHBondContact O-N 3.39Å; D845-E847 WeakPolarHBondContact OD1-CB 3.08Å; D845-E847 PolarHBondContact OD1-N 3.36Å; D845-E847 VanDerWaalsContact OD1-N 3.12Å; E847-T1182 HydrophobicContact CB-CG2 3.77Å; E847-T1182 HydrophobicContact CG-CG2 4.21Å; E847-T1182 VanDerWaalsContact OE2-CA 3.29Å; E847-T1182 WeakPolarHBondContact OE2-CA 2.88Å; E847-T1182 WeakPolarHBondContact OE2-CB 3.34Å; E847-K1183 PolarHBondContact OE2-N 3.13Å; E847-K1183 VanDerWaalsContact OE2-N 3.11Å
848	V	80.2	Confident	80.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-46.2	175.7	177.7	0	0	0	0	111.1	D845 K850 L851 V852 V1179 Q1184	D845-V848 HydrophobicContact CB-CB 4.18Å; D845-V848 HydrophobicContact CB-CG2 4.13Å; D845-V848 PolarHBondContact O-N 2.94Å; D845-V848 VanDerWaalsContact OD1-CG2 3.27Å; D845-V848 WeakPolarHBondContact OD1-CG2 3.3Å; D845-V848 PolarHBondContact OD1-N 3.04Å; V848-K850 PolarHBondContact O-N 3.19Å; V848-L851 WeakPolarHBondContact O-CA 3.39Å; V848-L851 WeakPolarHBondContact O-CB 3.47Å; V848-L851 PolarHBondContact O-N 3.17Å; V848-V852 HydrophobicContact CG1-CG2 4.16Å; V848-V852 WeakPolarHBondContact O-CG2 3.38Å; V848-V852 PolarHBondContact O-N 3.07Å; V848-V1179 HydrophobicContact CB-CG2 4.14Å; V848-V1179 HydrophobicContact CG1-CG2 3.77Å; V848-V1179 HydrophobicContact CG2-CG2 3.69Å; V848-Q1184 HydrophobicContact CG2-CB 4.15Å; V848-Q1184 HydrophobicContact CG2-CG 4.34Å
849	M	87.1	Confident	81.6	Confident	73 Å²	73	67 Å²	67	36%	0.36	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-23.8	-175.3	-72.2	-55.1	-59.5	0	0	113.8	N844 D845 L851 V852	N844-M849 HydrophobicContact CB-CG 4.45Å; D845-M849 WeakPolarHBondContact O-CB 3.33Å; D845-M849 WeakPolarHBondContact O-CG 3.23Å; D845-M849 PolarHBondContact O-N 3.39Å; M849-L851 PolarHBondContact O-N 3.43Å; M849-V852 HydrophobicContact CE-CB 4.32Å; M849-V852 HydrophobicContact CE-CG1 4.26Å; M849-V852 PolarHBondContact O-N 3.49Å; M849-V852 HydrophobicContact SD-CB 4.37Å; M849-V852 HydrophobicContact SD-CG2 4.07Å
850	K	82.7	Confident	82.7	Confident	89 Å²	89	67.1 Å²	67.1	39%	0.387	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-22.5	171.3	-74.7	166.4	-171.6	152.4	0	113.2	V647 S846 V848	V647-K850 PolarHBondContact O-NZ 3.26Å; S846-K850 VanDerWaalsContact O-CD 3.3Å; S846-K850 WeakPolarHBondContact O-CD 3.38Å; S846-K850 WeakPolarHBondContact O-CE 3.31Å; S846-K850 VanDerWaalsContact O-CG 3.28Å; S846-K850 WeakPolarHBondContact O-CG 3.45Å; V848-K850 PolarHBondContact O-N 3.19Å
851	L	84	Confident	83.7	Confident	50 Å²	50	66.2 Å²	66.2	26%	0.262	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-13.2	-178.7	-54.8	172.8	0	0	0	111.9	V848 M849 T853 F1138 N1139 V1179 T1182	V848-L851 WeakPolarHBondContact O-CA 3.39Å; V848-L851 WeakPolarHBondContact O-CB 3.47Å; V848-L851 PolarHBondContact O-N 3.17Å; M849-L851 PolarHBondContact O-N 3.43Å; L851-T853 PolarHBondContact O-N 2.8Å; L851-F1138 HydrophobicContact CB-CE1 4.41Å; L851-F1138 HydrophobicContact CB-CZ 4.14Å; L851-F1138 VanDerWaalsContact O-CZ 3.3Å; L851-F1138 WeakPolarHBondContact O-CZ 3.34Å; L851-N1139 PolarHBondContact O-ND2 2.92Å; L851-N1139 VanDerWaalsContact O-ND2 3.14Å; L851-V1179 HydrophobicContact CD1-CB 4.09Å; L851-V1179 HydrophobicContact CD1-CG2 4.49Å; L851-T1182 HydrophobicContact CD1-CG2 4.05Å
852	V	86.2	Confident	84.2	Confident	33 Å²	33	70.7 Å²	70.7	20%	0.2	40%	0.401	C	S	.	.			trans	-79.8	115	177.9	173.1	0	0	0	0	108.9	V848 M849 F1138 N1139	V848-V852 HydrophobicContact CG1-CG2 4.16Å; V848-V852 WeakPolarHBondContact O-CG2 3.38Å; V848-V852 PolarHBondContact O-N 3.07Å; M849-V852 HydrophobicContact CE-CB 4.32Å; M849-V852 HydrophobicContact CE-CG1 4.26Å; M849-V852 PolarHBondContact O-N 3.49Å; M849-V852 HydrophobicContact SD-CB 4.37Å; M849-V852 HydrophobicContact SD-CG2 4.07Å; V852-F1138 HydrophobicContact CG2-CE2 4.03Å; V852-F1138 HydrophobicContact CG2-CZ 4.34Å; V852-N1139 WeakPolarHBondContact CA-OD1 3.25Å
853	T	88.2	Confident	84.7	Confident	79 Å²	79	70.2 Å²	70.2	49%	0.485	40%	0.396	S	S	.	.			trans	-127.8	147.2	179.1	54.9	0	0	0	0	110.3	L851 K978 N1139	L851-T853 PolarHBondContact O-N 2.8Å; T853-K978 PolarHBondContact O-NZ 3.12Å; T853-N1139 PolarHBondContact N-OD1 3.35Å; T853-N1139 PolarHBondContact O-OD1 2.93Å; T853-N1139 VanDerWaalsContact O-OD1 3.11Å; T853-N1139 PolarHBondContact OG1-ND2 2.82Å
854	S	87	Confident	84.9	Confident	94 Å²	94	70 Å²	70	66%	0.657	40%	0.4	S	S	*	.			trans	-75.9	143.4	175.1	-172	0	0	0	0	110.9	E1142	S854-E1142 WeakPolarHBondContact CA-OE2 3.4Å; S854-E1142 PolarHBondContact OG-OE1 3.29Å
855	V	88.4	Confident	85.3	Confident	22 Å²	22	65.4 Å²	65.4	13%	0.133	38%	0.375	C	S	.	.			trans	-105.3	130.3	179.8	179.3	0	0	0	0	110	N1139 M1140 E1142 L1143	V855-N1139 HydrophobicContact CG2-CB 3.78Å; V855-N1139 WeakPolarHBondContact CG2-O 3.27Å; V855-M1140 HydrophobicContact CG1-SD 3.51Å; V855-M1140 VanDerWaalsContact CG1-SD 3.51Å; V855-M1140 HydrophobicContact CG2-SD 4.3Å; V855-E1142 PolarHBondContact N-OE2 2.85Å; V855-E1142 VanDerWaalsContact N-OE2 3.1Å; V855-L1143 HydrophobicContact CG1-CD1 3.99Å; V855-L1143 HydrophobicContact CG1-CD2 4.17Å; V855-L1143 HydrophobicContact CG1-CG 4.05Å
856	P	85.9	Confident	85.7	Confident	101 Å²	101	65.3 Å²	65.3	66%	0.656	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64.7	148	176.3	27.2	-34	0	0	0	111.2	L858	P856-L858 PolarHBondContact O-N 3.44Å
857	P	85.7	Confident	86.4	Confident	110 Å²	110	63.9 Å²	63.9	71%	0.714	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-54.8	138.8	178.7	-25.5	33.8	0	0	0	112.9	K859	P857-K859 PolarHBondContact O-N 2.94Å
858	L	88.7	Confident	87.1	Confident	61 Å²	61	64.2 Å²	64.2	32%	0.319	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63.2	124.5	175.6	-179.4	68	0	0	0	110.3	P856 Y1133 L1143	P856-L858 PolarHBondContact O-N 3.44Å; L858-Y1133 HydrophobicContact CD2-CE1 4.3Å; L858-L1143 HydrophobicContact CB-CD1 4.3Å
859	K	86.4	Confident	87.7	Confident	197 Å²	197	64.7 Å²	64.7	86%	0.857	37%	0.374	S	S	*	.			trans	-94.8	98.2	176.9	-65.9	-176.3	-180	-179.2	0	110.4	P857	P857-K859 PolarHBondContact O-N 2.94Å
860	C	91.4	Very high	87.9	Confident	33 Å²	33	64.6 Å²	64.6	22%	0.223	37%	0.369	C	S	.	.			trans	-86.9	176.8	165.7	-61.6	0	0	0	0	110.8	S862 C1097 G1099	C860-S862 PolarHBondContact O-N 2.77Å; C860-C1097 WeakPolarHBondContact CA-SG 3.46Å; C860-C1097 HydrophobicContact CB-CB 3.76Å; C860-C1097 WeakPolarHBondContact CB-SG 3.42Å; C860-C1097 WeakPolarHBondContact SG-CB 3.28Å; C860-C1097 CovalentContact SG-SG 2.05Å; C860-C1097 PolarHBondContact SG-SG 2.95Å; C860-G1099 WeakPolarHBondContact CB-O 3.34Å
861	V	86.9	Confident	88.4	Confident	82 Å²	82	65.7 Å²	65.7	50%	0.497	37%	0.374	S	S	.	.			trans	-60.9	131.3	-179.4	-179	0	0	0	0	109.5	E863 G1099 S1100	V861-E863 VanDerWaalsContact C-N 3.32Å; V861-E863 HydrophobicContact CG1-CB 4.03Å; V861-E863 PolarHBondContact O-N 2.82Å; V861-G1099 WeakPolarHBondContact CB-O 3.4Å; V861-G1099 PolarHBondContact N-O 2.87Å; V861-G1099 VanDerWaalsContact N-O 3.1Å; V861-S1100 WeakPolarHBondContact O-CA 3.41Å; V861-S1100 VanDerWaalsContact O-CB 3.3Å; V861-S1100 WeakPolarHBondContact O-CB 3.39Å
862	S	85.4	Confident	88.9	Confident	125 Å²	125	63.6 Å²	63.6	87%	0.874	36%	0.364	S	S	*	.	S	Bend	trans	-72.3	-26.9	-177.8	54.6	0	0	0	0	113.3	C860 S864	C860-S862 PolarHBondContact O-N 2.77Å; S862-S864 PolarHBondContact O-N 3.29Å
863	E	86.6	Confident	89.2	Confident	79 Å²	79	66.4 Å²	66.4	37%	0.369	37%	0.374	S	S	.	.	S	Bend	trans	-68.8	121.3	173	-176.7	177.6	-165.6	0	0	109.9	V861 W866 R931 S1100	V861-E863 VanDerWaalsContact C-N 3.32Å; V861-E863 HydrophobicContact CG1-CB 4.03Å; V861-E863 PolarHBondContact O-N 2.82Å; E863-W866 PolarHBondContact OE1-NE1 2.67Å; E863-R931 IonicContact OE1-NH1 3.19Å; E863-R931 PolarHBondContact OE1-NH1 2.93Å; E863-R931 VanDerWaalsContact OE1-NH1 3.15Å; E863-S1100 WeakPolarHBondContact O-CB 3.43Å
864	S	88.4	Confident	89.3	Confident	55 Å²	55	62.9 Å²	62.9	39%	0.385	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-54.2	142.1	175.7	-61	0	0	0	0	111.8	S862 W866	S862-S864 PolarHBondContact O-N 3.29Å; S864-W866 PolarHBondContact O-N 3.44Å
865	N	92	Very high	89.3	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.043	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-49.6	128.6	169.3	-80.2	-31.6	0	0	0	111.1	I867 N877 Y933 N935 F1098 G1099 S1100	N865-I867 PolarHBondContact O-N 3.09Å; N865-N877 WeakPolarHBondContact O-CB 3.19Å; N865-N877 PolarHBondContact O-ND2 2.79Å; N865-N877 VanDerWaalsContact O-ND2 3.13Å; N865-Y933 WeakPolarHBondContact CB-OH 3.46Å; N865-Y933 PolarHBondContact OD1-OH 2.94Å; N865-N935 PolarHBondContact OD1-ND2 2.99Å; N865-F1098 PolarHBondContact ND2-O 2.99Å; N865-F1098 PolarHBondContact OD1-O 3.13Å; N865-G1099 WeakPolarHBondContact OD1-CA 3.02Å; N865-S1100 PolarHBondContact N-OG 3.47Å; N865-S1100 VanDerWaalsContact N-OG 3.1Å
866	W	89.3	Confident	89	Confident	5 Å²	5	62.4 Å²	62.4	2%	0.019	34%	0.342	C	S	.	.	S	Bend	trans	-63.9	-27.9	-177.2	-70.5	21.8	0	0	0	112.1	E863 S864 N877 V880 I886 C924 A926 R931 Y933	E863-W866 PolarHBondContact OE1-NE1 2.67Å; S864-W866 PolarHBondContact O-N 3.44Å; W866-N877 WeakPolarHBondContact O-CB 3.05Å; W866-N877 PolarHBondContact O-N 2.98Å; W866-V880 HydrophobicContact CB-CG1 4.18Å; W866-V880 HydrophobicContact CD2-CG1 3.75Å; W866-V880 HydrophobicContact CG-CB 4.46Å; W866-V880 HydrophobicContact CG-CG1 3.54Å; W866-I886 HydrophobicContact CE3-CG2 4.21Å; W866-I886 HydrophobicContact CZ3-CG2 4.05Å; W866-C924 HydrophobicContact CE3-CB 3.88Å; W866-C924 HydrophobicContact CZ3-CB 4.1Å; W866-A926 HydrophobicContact CH2-CB 3.79Å; W866-A926 HydrophobicContact CZ3-CB 4.08Å; W866-R931 HydrophobicContact CH2-CB 3.95Å; W866-R931 HydrophobicContact CZ2-CB 4.12Å; W866-Y933 HydrophobicContact CB-CD1 3.88Å; W866-Y933 HydrophobicContact CB-CD2 4.04Å; W866-Y933 HydrophobicContact CB-CE1 4.07Å; W866-Y933 HydrophobicContact CB-CE2 4.24Å; W866-Y933 HydrophobicContact CB-CG 3.85Å; W866-Y933 AromaticContact CD1-CD2 3.64Å; W866-Y933 HydrophobicContact CD2-CD1 4.43Å; W866-Y933 HydrophobicContact CD2-CD2 4.11Å; W866-Y933 AromaticContact CD2-CG 3.73Å; W866-Y933 HydrophobicContact CD2-CG 3.73Å; W866-Y933 HydrophobicContact CE3-CG 4.1Å; W866-Y933 HydrophobicContact CG-CD1 4.13Å; W866-Y933 AromaticContact CG-CD2 3.64Å; W866-Y933 HydrophobicContact CG-CD2 3.64Å; W866-Y933 HydrophobicContact CG-CE2 4.22Å; W866-Y933 AromaticContact CG-CG 3.58Å; W866-Y933 HydrophobicContact CG-CG 3.58Å
867	I	88.3	Confident	88.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158.6	177.7	69.7	120.7	0	0	0	110.2	N865 I874 I875 V876 F920 I922 Y933 H937	N865-I867 PolarHBondContact O-N 3.09Å; I867-I874 HydrophobicContact CB-CG2 4.1Å; I867-I874 HydrophobicContact CD1-CG1 4.38Å; I867-I874 HydrophobicContact CD1-CG2 3.88Å; I867-I874 HydrophobicContact CG2-CG2 4.33Å; I867-I875 CarbonylContact C-O 3.56Å; I867-I875 WeakPolarHBondContact CA-O 3.39Å; I867-V876 HydrophobicContact CG2-CG2 3.93Å; I867-F920 HydrophobicContact CD1-CE2 3.93Å; I867-F920 HydrophobicContact CD1-CZ 4.28Å; I867-I922 HydrophobicContact CD1-CD1 3.82Å; I867-I922 HydrophobicContact CD1-CG2 3.99Å; I867-I922 HydrophobicContact CG1-CD1 4.17Å; I867-I922 HydrophobicContact CG1-CG2 4.07Å; I867-Y933 HydrophobicContact CG1-CE1 4.09Å; I867-H937 PolarHBondContact O-CE1 2.78Å
868	T	90.2	Very high	88	Confident	51 Å²	51	61.9 Å²	61.9	31%	0.313	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.4	173.1	-55.5	0	0	0	0	108.5	R870 I875	T868-R870 HydrophobicContact CG2-CG 4.35Å; T868-I875 PolarHBondContact N-O 2.8Å; T868-I875 PolarHBondContact O-N 2.66Å
869	A	92.3	Very high	87	Confident	11 Å²	11	64.7 Å²	64.7	9%	0.091	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.1	175.6	0	0	0	0	0	110.4	K873 F920 H937 T939	A869-K873 WeakPolarHBondContact CA-O 3.49Å; A869-F920 HydrophobicContact CB-CE1 3.94Å; A869-F920 HydrophobicContact CB-CZ 3.73Å; A869-H937 HydrophobicContact CB-CB 4.08Å; A869-T939 HydrophobicContact CB-CG2 4.06Å
870	R	92.9	Very high	85.9	Confident	70 Å²	70	56 Å²	56	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145	173.6	-71.5	-156.5	-178	-107.6	-5.3	111.1	T868 G872 K873 I875 T939 E1112 E1116	T868-R870 HydrophobicContact CG2-CG 4.35Å; R870-G872 PolarHBondContact O-N 2.71Å; R870-K873 PolarHBondContact N-O 2.89Å; R870-K873 PolarHBondContact O-N 3.26Å; R870-I875 HydrophobicContact CB-CD1 4.36Å; R870-T939 WeakPolarHBondContact CA-OG1 3.15Å; R870-E1112 IonicContact NH1-OE2 2.99Å; R870-E1116 IonicContact NH1-OE2 2.65Å
871	K	92.7	Very high	84.3	Confident	112 Å²	112	57.3 Å²	57.3	49%	0.487	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	39.7	-179.2	-56.3	-169.6	178.2	-158.6	0	113.4	K873 T939 I940 D1113 E1116	K871-K873 VanDerWaalsContact C-N 3.28Å; K871-K873 PolarHBondContact O-N 2.84Å; K871-T939 PolarHBondContact N-OG1 2.97Å; K871-I940 CarbonylContact C-O 3.54Å; K871-D1113 PolarHBondContact N-OD1 3.17Å; K871-D1113 PolarHBondContact N-OD2 2.63Å; K871-E1116 VanDerWaalsContact CE-O 3.28Å; K871-E1116 WeakPolarHBondContact CE-O 3.42Å; K871-E1116 PolarHBondContact NZ-O 3.35Å
872	G	93.3	Very high	83.1	Confident	6 Å²	6	64 Å²	64	6%	0.062	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	22.7	-179.7	0	0	0	0	0	113.8	R870 P914 V915 T939 I940	R870-G872 PolarHBondContact O-N 2.71Å; G872-P914 CarbonylContact O-C 3.48Å; G872-P914 VanDerWaalsContact O-CA 3.29Å; G872-P914 WeakPolarHBondContact O-CA 3.2Å; G872-V915 WeakPolarHBondContact O-CG2 3.46Å; G872-V915 PolarHBondContact O-N 3.02Å; G872-T939 PolarHBondContact N-OG1 2.95Å; G872-I940 WeakPolarHBondContact CA-O 3.41Å; G872-I940 PolarHBondContact N-O 3.4Å
873	K	93.1	Very high	81.6	Confident	93 Å²	93	59.8 Å²	59.8	40%	0.404	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	150.6	179.4	-62.5	-179	-176.4	-178.5	0	112.3	A869 R870 K871 V913	A869-K873 WeakPolarHBondContact CA-O 3.49Å; R870-K873 PolarHBondContact N-O 2.89Å; R870-K873 PolarHBondContact O-N 3.26Å; K871-K873 VanDerWaalsContact C-N 3.28Å; K871-K873 PolarHBondContact O-N 2.84Å; K873-V913 WeakPolarHBondContact CA-O 3.45Å
874	I	90.4	Very high	80.6	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.7	172.2	-68.2	165.6	0	0	0	110.4	I867 L890 V909 N912 V913 V915 F920 I922	I867-I874 HydrophobicContact CB-CG2 4.1Å; I867-I874 HydrophobicContact CD1-CG1 4.38Å; I867-I874 HydrophobicContact CD1-CG2 3.88Å; I867-I874 HydrophobicContact CG2-CG2 4.33Å; I874-L890 HydrophobicContact CD1-CD1 3.29Å; I874-V909 HydrophobicContact CD1-CG2 4.5Å; I874-N912 WeakPolarHBondContact O-CA 3.26Å; I874-N912 PolarHBondContact O-N 3Å; I874-V913 PolarHBondContact N-O 3.03Å; I874-V913 VanDerWaalsContact N-O 3.11Å; I874-V915 HydrophobicContact CD1-CG1 3.56Å; I874-V915 HydrophobicContact CG1-CG1 3.69Å; I874-F920 HydrophobicContact CD1-CD2 4.44Å; I874-F920 HydrophobicContact CD1-CE2 3.76Å; I874-F920 HydrophobicContact CD1-CZ 3.85Å; I874-F920 HydrophobicContact CG1-CE1 4.36Å; I874-F920 HydrophobicContact CG1-CE2 3.95Å; I874-F920 HydrophobicContact CG1-CZ 3.58Å; I874-I922 HydrophobicContact CD1-CD1 4.24Å
875	I	87.4	Confident	80	Confident	81 Å²	81	61.7 Å²	61.7	42%	0.415	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.7	176.7	-54.4	172	0	0	0	107.9	I867 T868 R870	I867-I875 CarbonylContact C-O 3.56Å; I867-I875 WeakPolarHBondContact CA-O 3.39Å; T868-I875 PolarHBondContact N-O 2.8Å; T868-I875 PolarHBondContact O-N 2.66Å; R870-I875 HydrophobicContact CB-CD1 4.36Å
876	V	82.3	Confident	79.5	Confident	26 Å²	26	62.3 Å²	62.3	16%	0.158	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.7	179.1	175.3	0	0	0	0	110.6	I867 E878 T881 I886 Y911	I867-V876 HydrophobicContact CG2-CG2 3.93Å; V876-E878 PolarHBondContact O-N 2.71Å; V876-T881 HydrophobicContact CG1-CG2 3.72Å; V876-I886 HydrophobicContact CG1-CD1 3.93Å; V876-I886 HydrophobicContact CG2-CD1 4.48Å; V876-Y911 HydrophobicContact CB-CD1 3.95Å; V876-Y911 HydrophobicContact CB-CE1 4.17Å; V876-Y911 HydrophobicContact CG1-CD1 4.48Å; V876-Y911 HydrophobicContact CG1-CE1 4.2Å; V876-Y911 HydrophobicContact CG2-CD1 3.08Å; V876-Y911 HydrophobicContact CG2-CE1 3.45Å; V876-Y911 VanDerWaalsContact CG2-CE1 3.45Å; V876-Y911 HydrophobicContact CG2-CG 3.97Å
877	N	81.4	Confident	79.4	Confident	39 Å²	39	65.9 Å²	65.9	21%	0.209	34%	0.339	C	S	.	.			trans	-78.8	109	178.7	-167.9	-15.5	0	0	0	109.9	N865 W866 N879 V880	N865-N877 WeakPolarHBondContact O-CB 3.19Å; N865-N877 PolarHBondContact O-ND2 2.79Å; N865-N877 VanDerWaalsContact O-ND2 3.13Å; W866-N877 WeakPolarHBondContact O-CB 3.05Å; W866-N877 PolarHBondContact O-N 2.98Å; N877-N879 PolarHBondContact O-N 3.33Å; N877-N879 VanDerWaalsContact O-N 3.1Å; N877-N879 PolarHBondContact OD1-N 2.9Å; N877-V880 HydrophobicContact CB-CG2 4.34Å; N877-V880 PolarHBondContact O-N 3.43Å
878	E	69.3	Low	79.5	Confident	161 Å²	161	66.1 Å²	66.1	75%	0.752	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-54	-32.8	-179	-65	-179.7	179.9	0	0	112.3	V876 V880 T881	V876-E878 PolarHBondContact O-N 2.71Å; E878-V880 PolarHBondContact O-N 3.05Å; E878-T881 PolarHBondContact O-N 3.14Å; E878-T881 PolarHBondContact O-OG1 3.13Å
879	N	66.4	Low	79.6	Confident	120 Å²	120	66.7 Å²	66.7	64%	0.642	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.3	-23.3	-179.5	-74.4	-27.6	0	0	0	114.1	N877	N877-N879 PolarHBondContact O-N 3.33Å; N877-N879 VanDerWaalsContact O-N 3.1Å; N877-N879 PolarHBondContact OD1-N 2.9Å
880	V	65	Low	79.7	Confident	14 Å²	14	66.3 Å²	66.3	9%	0.085	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-92	-20.9	179.8	-179.8	0	0	0	0	112.1	W866 N877 E878 R882 N883	W866-V880 HydrophobicContact CB-CG1 4.18Å; W866-V880 HydrophobicContact CD2-CG1 3.75Å; W866-V880 HydrophobicContact CG-CB 4.46Å; W866-V880 HydrophobicContact CG-CG1 3.54Å; N877-V880 HydrophobicContact CB-CG2 4.34Å; N877-V880 PolarHBondContact O-N 3.43Å; E878-V880 PolarHBondContact O-N 3.05Å; V880-R882 PolarHBondContact O-N 3.34Å; V880-N883 PolarHBondContact O-N 3.19Å; V880-N883 PolarHBondContact O-ND2 3.09Å; V880-N883 VanDerWaalsContact O-ND2 3.08Å
881	T	57.6	Low	79.8	Confident	61 Å²	61	64.3 Å²	64.3	37%	0.374	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-67.1	-0.8	-177.2	63.1	0	0	0	0	115.2	V876 E878 N883 G884	V876-T881 HydrophobicContact CG1-CG2 3.72Å; E878-T881 PolarHBondContact O-N 3.14Å; E878-T881 PolarHBondContact O-OG1 3.13Å; T881-N883 PolarHBondContact O-N 3.47Å; T881-G884 PolarHBondContact O-N 3.48Å
882	R	60.8	Low	80	Confident	221 Å²	221	59.1 Å²	59.1	83%	0.834	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59.5	-10	171.1	-67.5	-173.4	-180	-175.4	0.8	113.8	V880	V880-R882 PolarHBondContact O-N 3.34Å
883	N	54.9	Low	80.2	Confident	37 Å²	37	58.9 Å²	58.9	20%	0.198	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-102.5	21.7	-177.9	-47.8	-51.3	0	0	0	114.2	V880 T881 A926 A928 R931	V880-N883 PolarHBondContact O-N 3.19Å; V880-N883 PolarHBondContact O-ND2 3.09Å; V880-N883 VanDerWaalsContact O-ND2 3.08Å; T881-N883 PolarHBondContact O-N 3.47Å; N883-A926 HydrophobicContact CB-CB 4.27Å; N883-A928 WeakPolarHBondContact O-CB 3.45Å; N883-R931 PolarHBondContact ND2-NH2 3.41Å; N883-R931 PolarHBondContact OD1-NH2 2.88Å
884	G	64.8	Low	80.3	Confident	40 Å²	40	58.4 Å²	58.4	41%	0.412	30%	0.302	S	S	.	.			trans	85	-168.4	175.8	0	0	0	0	0	114.8	T881 I886	T881-G884 PolarHBondContact O-N 3.48Å; G884-I886 PolarHBondContact O-N 2.87Å
885	N	75.6	Confident	80.6	Confident	135 Å²	135	59 Å²	59	72%	0.722	30%	0.304	S	S	*	.			trans	-60.9	121.4	178.9	-80.6	-17.7	0	0	0	110.3	A927	N885-A927 WeakPolarHBondContact O-CB 3.42Å; N885-A927 PolarHBondContact O-N 2.86Å; N885-A927 VanDerWaalsContact O-N 3.1Å
886	I	82.5	Confident	80.8	Confident	20 Å²	20	59.5 Å²	59.5	10%	0.103	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134	170.7	59.5	168.9	0	0	0	109.6	W866 V876 G884 Y911 T925 A926	W866-I886 HydrophobicContact CE3-CG2 4.21Å; W866-I886 HydrophobicContact CZ3-CG2 4.05Å; V876-I886 HydrophobicContact CG1-CD1 3.93Å; V876-I886 HydrophobicContact CG2-CD1 4.48Å; G884-I886 PolarHBondContact O-N 2.87Å; I886-Y911 HydrophobicContact CD1-CE1 3.96Å; I886-Y911 HydrophobicContact CG1-CE1 3.79Å; I886-Y911 WeakPolarHBondContact CG1-OH 3.3Å; I886-T925 WeakPolarHBondContact CA-O 3.26Å; I886-A926 HydrophobicContact CG2-CB 4.2Å
887	S	86.3	Confident	81.3	Confident	81 Å²	81	60.1 Å²	60.1	57%	0.566	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.1	171.5	-174.7	0	0	0	0	108.7	C924 T925	S887-C924 CarbonylContact O-C 3.5Å; S887-C924 WeakPolarHBondContact O-CA 3.49Å; S887-T925 PolarHBondContact N-O 2.81Å; S887-T925 PolarHBondContact O-N 2.92Å
888	C	90.2	Very high	81.8	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.1	-175.3	-64.4	0	0	0	0	112	V909 I922 E923 C924	C888-V909 HydrophobicContact CB-CG2 3.85Å; C888-V909 PolarHBondContact O-N 2.83Å; C888-V909 VanDerWaalsContact O-N 3.08Å; C888-I922 HydrophobicContact CB-CD1 3.98Å; C888-I922 HydrophobicContact CB-CG1 4.14Å; C888-E923 CarbonylContact C-O 3.6Å; C888-E923 WeakPolarHBondContact CA-O 3.47Å; C888-C924 HydrophobicContact CB-CB 4.12Å; C888-C924 WeakPolarHBondContact CB-SG 3.49Å; C888-C924 WeakPolarHBondContact SG-CB 3.19Å; C888-C924 CovalentContact SG-SG 2.04Å; C888-C924 PolarHBondContact SG-SG 3.29Å
889	M	93	Very high	82.8	Confident	63 Å²	63	54.9 Å²	54.9	31%	0.31	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117	172.7	-68.3	-60.6	-62.6	0	0	109.5	R906 A908 E923	M889-R906 VanDerWaalsContact CB-NH2 3.33Å; M889-R906 HydrophobicContact CE-CB 3.97Å; M889-A908 HydrophobicContact SD-CB 3.83Å; M889-E923 PolarHBondContact N-O 3.4Å; M889-E923 PolarHBondContact O-N 3.09Å
890	L	93.5	Very high	84	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133	177.9	178.1	121.5	0	0	0	110.5	I874 P892 R906 S907 V909 V915 F920	I874-L890 HydrophobicContact CD1-CD1 3.29Å; L890-P892 HydrophobicContact CD2-CB 4.16Å; L890-P892 HydrophobicContact CD2-CG 3.52Å; L890-R906 CarbonylContact O-C 3.59Å; L890-R906 VanDerWaalsContact O-CA 3.26Å; L890-R906 WeakPolarHBondContact O-CA 3.39Å; L890-S907 PolarHBondContact N-O 3.1Å; L890-S907 PolarHBondContact O-N 3.03Å; L890-V909 HydrophobicContact CB-CB 4.48Å; L890-V909 HydrophobicContact CB-CG1 3.59Å; L890-V909 HydrophobicContact CB-CG2 4.03Å; L890-V909 HydrophobicContact CD1-CG1 4.37Å; L890-V909 HydrophobicContact CD2-CG1 4.31Å; L890-V909 HydrophobicContact CG-CG1 4.32Å; L890-V915 HydrophobicContact CD1-CG1 3.82Å; L890-F920 HydrophobicContact CD1-CB 3.91Å; L890-F920 HydrophobicContact CD1-CD1 4.29Å; L890-F920 HydrophobicContact CD1-CD2 3.38Å; L890-F920 HydrophobicContact CD1-CE2 3.88Å; L890-F920 HydrophobicContact CD1-CG 3.6Å; L890-F920 HydrophobicContact CG-CB 4.12Å; L890-F920 HydrophobicContact CG-CD2 4.26Å; L890-F920 HydrophobicContact CG-CG 4.35Å
891	E	95.8	Very high	85.5	Confident	27 Å²	27	51.9 Å²	51.9	13%	0.126	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	94.1	171.6	-178.9	-173.7	130.7	0	0	108.5	T903 R906 F920 K921 K1085	E891-T903 HydrophobicContact CG-CG2 3.31Å; E891-T903 WeakPolarHBondContact OE1-CG2 3.42Å; E891-R906 HydrophobicContact CB-CG 4.12Å; E891-R906 HydrophobicContact CG-CG 4.29Å; E891-F920 WeakPolarHBondContact O-CA 3.38Å; E891-K921 HydrophobicContact CB-CB 4.26Å; E891-K921 PolarHBondContact N-O 2.74Å; E891-K921 PolarHBondContact O-N 2.94Å; E891-K1085 WeakPolarHBondContact OE1-CE 3.23Å; E891-K1085 IonicContact OE1-NZ 2.67Å; E891-K1085 PolarHBondContact OE1-NZ 2.94Å
892	P	96.7	Very high	87.3	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	147.9	177.2	14	-3.5	0	0	0	111.4	L890 L904 P916 T917 F920	L890-P892 HydrophobicContact CD2-CB 4.16Å; L890-P892 HydrophobicContact CD2-CG 3.52Å; P892-L904 HydrophobicContact CB-CB 4.36Å; P892-L904 HydrophobicContact CB-CD1 4.18Å; P892-L904 HydrophobicContact CG-CB 3.9Å; P892-L904 HydrophobicContact CG-CD1 4.19Å; P892-L904 PolarHBondContact O-N 3.5Å; P892-P916 HydrophobicContact CB-CG 3.56Å; P892-P916 HydrophobicContact CG-CG 3.5Å; P892-T917 HydrophobicContact CB-CG2 4.36Å; P892-T917 WeakPolarHBondContact CB-OG1 3.49Å; P892-F920 HydrophobicContact CB-CB 4.41Å
893	F	97.6	Very high	88.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155.7	178.6	62	-95.3	0	0	0	111.8	V901 R902 T917 F919 F920 Y936 F1082 K1085	F893-V901 HydrophobicContact CB-CG1 3.85Å; F893-V901 HydrophobicContact CD2-CG1 3.66Å; F893-V901 HydrophobicContact CG-CG1 4.12Å; F893-R902 CarbonylContact C-O 3.56Å; F893-R902 WeakPolarHBondContact CA-O 3.32Å; F893-R902 WeakPolarHBondContact CB-O 3.46Å; F893-T917 PolarHBondContact N-OG1 2.93Å; F893-T917 PolarHBondContact O-OG1 3.49Å; F893-F919 HydrophobicContact CD2-CB 3.89Å; F893-F919 HydrophobicContact CE1-CB 4.16Å; F893-F919 HydrophobicContact CE2-CB 3.33Å; F893-F919 HydrophobicContact CE2-CD2 4.34Å; F893-F919 HydrophobicContact CE2-CG 4.13Å; F893-F919 HydrophobicContact CG-CB 4.5Å; F893-F919 HydrophobicContact CZ-CB 3.49Å; F893-F919 VanDerWaalsContact CZ-CB 3.49Å; F893-F919 PolarHBondContact N-O 3.5Å; F893-F919 VanDerWaalsContact N-O 3.1Å; F893-F920 VanDerWaalsContact CE1-C 3.44Å; F893-Y936 HydrophobicContact CE1-CD1 4.07Å; F893-Y936 HydrophobicContact CZ-CD1 4.27Å; F893-F1082 HydrophobicContact CZ-CD2 4.38Å; F893-K1085 HydrophobicContact CD1-CG 3.97Å; F893-K1085 HydrophobicContact CD2-CB 3.92Å; F893-K1085 HydrophobicContact CD2-CG 4.06Å; F893-K1085 HydrophobicContact CE1-CB 4.32Å; F893-K1085 HydrophobicContact CE1-CG 3.93Å; F893-K1085 HydrophobicContact CE2-CB 3.6Å; F893-K1085 HydrophobicContact CE2-CG 4.02Å; F893-K1085 HydrophobicContact CG-CB 4.41Å; F893-K1085 HydrophobicContact CG-CG 4.03Å; F893-K1085 HydrophobicContact CZ-CB 3.82Å; F893-K1085 HydrophobicContact CZ-CG 3.95Å
894	Y	95.3	Very high	90.8	Very high	83 Å²	83	48.3 Å²	48.3	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	165.2	-171.7	67.2	-78.8	0	0	0	112.7	R902 L904 T917	Y894-R902 HydrophobicContact CD1-CB 4.28Å; Y894-R902 WeakPolarHBondContact CD1-O 3.28Å; Y894-R902 HydrophobicContact CE1-CB 3.68Å; Y894-R902 HydrophobicContact CE2-CB 4.28Å; Y894-R902 PolarHBondContact N-O 3.49Å; Y894-R902 PolarHBondContact O-N 3.36Å; Y894-L904 HydrophobicContact CD1-CD2 4.27Å; Y894-L904 HydrophobicContact CD1-CG 4.07Å; Y894-L904 HydrophobicContact CE1-CD2 3.65Å; Y894-L904 HydrophobicContact CE1-CG 3.93Å; Y894-T917 HydrophobicContact CD1-CG2 4.45Å
895	F	95.6	Very high	92.1	Very high	18 Å²	18	53.7 Å²	53.7	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131	178.4	-179.2	-90.6	0	0	0	111.2	D897 Q1073 Y1078 S1081	F895-D897 VanDerWaalsContact CZ-C 3.44Å; F895-D897 VanDerWaalsContact CZ-CA 3.43Å; F895-Q1073 HydrophobicContact CD1-CB 3.85Å; F895-Q1073 HydrophobicContact CD1-CG 4.29Å; F895-Q1073 HydrophobicContact CE1-CB 4.11Å; F895-Q1073 HydrophobicContact CG-CB 4.4Å; F895-Q1073 HydrophobicContact CG-CG 4.34Å; F895-Y1078 AromaticContact CD2-CD1 3.83Å; F895-Y1078 HydrophobicContact CD2-CD1 3.83Å; F895-Y1078 HydrophobicContact CD2-CE1 4.03Å; F895-Y1078 AromaticContact CE2-CD1 3.99Å; F895-Y1078 HydrophobicContact CE2-CD1 3.99Å; F895-Y1078 AromaticContact CE2-CE1 3.79Å; F895-Y1078 HydrophobicContact CE2-CE1 3.79Å; F895-S1081 WeakPolarHBondContact CA-OG 3.25Å; F895-S1081 WeakPolarHBondContact CB-OG 3.24Å
896	F	93.1	Very high	93	Very high	90 Å²	90	52.9 Å²	52.9	40%	0.395	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	-51.8	165.4	179.4	-108	0	0	0	110.8	T900 R902	F896-T900 HydrophobicContact CB-CG2 4.38Å; F896-T900 WeakPolarHBondContact CB-O 3.36Å; F896-T900 HydrophobicContact CD1-CG2 3.93Å; F896-T900 PolarHBondContact N-O 3.27Å; F896-R902 HydrophobicContact CB-CG 3.89Å; F896-R902 HydrophobicContact CD2-CG 4.45Å; F896-R902 HydrophobicContact CG-CG 4.2Å
897	D	91.6	Very high	93.3	Very high	39 Å²	39	54.3 Å²	54.3	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	175.6	167.2	59.7	48.7	0	0	0	108.6	F895 F899 T900	F895-D897 VanDerWaalsContact CZ-C 3.44Å; F895-D897 VanDerWaalsContact CZ-CA 3.43Å; D897-F899 PolarHBondContact O-N 2.65Å; D897-F899 VanDerWaalsContact OD1-C 3.3Å; D897-F899 WeakPolarHBondContact OD1-CA 3.48Å; D897-F899 PolarHBondContact OD1-N 3.04Å; D897-T900 PolarHBondContact N-O 2.67Å; D897-T900 PolarHBondContact O-N 3.31Å; D897-T900 VanDerWaalsContact O-N 3.17Å; D897-T900 WeakPolarHBondContact OD1-CB 3.31Å; D897-T900 PolarHBondContact OD1-N 3.43Å; D897-T900 PolarHBondContact OD1-OG1 2.77Å; D897-T900 PolarHBondContact OD2-OG1 2.55Å
898	D	91.8	Very high	93.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.6	-179.7	-102.5	-16.6	0	0	0	115.4	T1064 G1069 F1070 Y1078 R1080	D898-T1064 HydrophobicContact CB-CG2 3.81Å; D898-T1064 VanDerWaalsContact CG-CG2 3.41Å; D898-T1064 WeakPolarHBondContact OD2-CG2 3.48Å; D898-G1069 WeakPolarHBondContact OD2-CA 3.44Å; D898-F1070 PolarHBondContact N-O 2.88Å; D898-F1070 WeakPolarHBondContact OD2-CD2 3.37Å; D898-F1070 PolarHBondContact OD2-N 3.49Å; D898-Y1078 WeakPolarHBondContact OD1-CE1 3.16Å; D898-Y1078 PolarHBondContact OD1-OH 2.75Å; D898-R1080 PolarHBondContact O-NH1 3.22Å; D898-R1080 PolarHBondContact O-NH2 3.45Å; D898-R1080 WeakPolarHBondContact OD1-CD 3.21Å; D898-R1080 IonicContact OD1-CZ 2.64Å; D898-R1080 IonicContact OD1-NE 3.77Å; D898-R1080 IonicContact OD1-NH1 2.69Å; D898-R1080 PolarHBondContact OD1-NH1 3.1Å
899	F	91.2	Very high	93.1	Very high	90 Å²	90	55.3 Å²	55.3	40%	0.395	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-0.2	177.5	-57.8	-73.7	0	0	0	112.9	D897 K1068 Q1084	D897-F899 PolarHBondContact O-N 2.65Å; D897-F899 VanDerWaalsContact OD1-C 3.3Å; D897-F899 WeakPolarHBondContact OD1-CA 3.48Å; D897-F899 PolarHBondContact OD1-N 3.04Å; F899-K1068 WeakPolarHBondContact CE2-O 3.4Å; F899-Q1084 PolarHBondContact O-NE2 3.25Å
900	T	92.3	Very high	92.3	Very high	55 Å²	55	60.6 Å²	60.6	34%	0.337	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	124.4	-172.2	-47.5	0	0	0	0	111.4	F896 D897	F896-T900 HydrophobicContact CB-CG2 4.38Å; F896-T900 WeakPolarHBondContact CB-O 3.36Å; F896-T900 HydrophobicContact CD1-CG2 3.93Å; F896-T900 PolarHBondContact N-O 3.27Å; D897-T900 PolarHBondContact N-O 2.67Å; D897-T900 PolarHBondContact O-N 3.31Å; D897-T900 VanDerWaalsContact O-N 3.17Å; D897-T900 WeakPolarHBondContact OD1-CB 3.31Å; D897-T900 PolarHBondContact OD1-N 3.43Å; D897-T900 PolarHBondContact OD1-OG1 2.77Å; D897-T900 PolarHBondContact OD2-OG1 2.55Å
901	V	94.6	Very high	91.3	Very high	17 Å²	17	65.9 Å²	65.9	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.3	169.3	177.3	0	0	0	0	108.7	F893 Q1084 K1085	F893-V901 HydrophobicContact CB-CG1 3.85Å; F893-V901 HydrophobicContact CD2-CG1 3.66Å; F893-V901 HydrophobicContact CG-CG1 4.12Å; V901-Q1084 HydrophobicContact CG2-CB 4.12Å; V901-Q1084 HydrophobicContact CG2-CG 4.09Å; V901-K1085 HydrophobicContact CG1-CB 4.32Å; V901-K1085 HydrophobicContact CG1-CD 4.22Å
902	R	95.1	Very high	90.4	Very high	114 Å²	114	69.7 Å²	69.7	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.3	172.4	-77.9	-178.5	179.6	-165.7	-0.1	110.5	F893 Y894 F896	F893-R902 CarbonylContact C-O 3.56Å; F893-R902 WeakPolarHBondContact CA-O 3.32Å; F893-R902 WeakPolarHBondContact CB-O 3.46Å; Y894-R902 HydrophobicContact CD1-CB 4.28Å; Y894-R902 WeakPolarHBondContact CD1-O 3.28Å; Y894-R902 HydrophobicContact CE1-CB 3.68Å; Y894-R902 HydrophobicContact CE2-CB 4.28Å; Y894-R902 PolarHBondContact N-O 3.49Å; Y894-R902 PolarHBondContact O-N 3.36Å; F896-R902 HydrophobicContact CB-CG 3.89Å; F896-R902 HydrophobicContact CD2-CG 4.45Å; F896-R902 HydrophobicContact CG-CG 4.2Å
903	T	95.5	Very high	89.9	Confident	66 Å²	66	71.3 Å²	71.3	41%	0.405	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.9	176.7	-70.2	0	0	0	0	109.3	E891 K1085	E891-T903 HydrophobicContact CG-CG2 3.31Å; E891-T903 WeakPolarHBondContact OE1-CG2 3.42Å; T903-K1085 WeakPolarHBondContact OG1-CE 3.4Å
904	L	94.6	Very high	89.6	Confident	64 Å²	64	76.1 Å²	76.1	34%	0.335	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-84.6	165.5	170.4	-65	178.8	0	0	0	110.7	P892 Y894 P916 T917	P892-L904 HydrophobicContact CB-CB 4.36Å; P892-L904 HydrophobicContact CB-CD1 4.18Å; P892-L904 HydrophobicContact CG-CB 3.9Å; P892-L904 HydrophobicContact CG-CD1 4.19Å; P892-L904 PolarHBondContact O-N 3.5Å; Y894-L904 HydrophobicContact CD1-CD2 4.27Å; Y894-L904 HydrophobicContact CD1-CG 4.07Å; Y894-L904 HydrophobicContact CE1-CD2 3.65Å; Y894-L904 HydrophobicContact CE1-CG 3.93Å; L904-P916 HydrophobicContact CD1-CB 4.4Å; L904-P916 HydrophobicContact CD1-CG 4.21Å; L904-T917 HydrophobicContact CD1-CG2 3.94Å
905	N	93	Very high	89.4	Confident	153 Å²	153	72.5 Å²	72.5	82%	0.818	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-57.7	140.6	178.4	-71.1	-19.9	0	0	0	111.6
906	R	93	Very high	89.2	Confident	117 Å²	117	75.5 Å²	75.5	44%	0.442	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-65.9	138.5	174.8	-61.6	-176.9	69	177.7	7.5	110.1	M889 L890 E891 E923	M889-R906 VanDerWaalsContact CB-NH2 3.33Å; M889-R906 HydrophobicContact CE-CB 3.97Å; L890-R906 CarbonylContact O-C 3.59Å; L890-R906 VanDerWaalsContact O-CA 3.26Å; L890-R906 WeakPolarHBondContact O-CA 3.39Å; E891-R906 HydrophobicContact CB-CG 4.12Å; E891-R906 HydrophobicContact CG-CG 4.29Å; R906-E923 IonicContact CZ-OE2 2.7Å; R906-E923 IonicContact NH1-OE2 3.6Å; R906-E923 IonicContact NH2-OE2 2.74Å; R906-E923 PolarHBondContact NH2-OE2 3.43Å
907	S	90.4	Very high	89.3	Confident	51 Å²	51	71.9 Å²	71.9	36%	0.357	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.7	176.8	56.7	0	0	0	0	110.7	L890	L890-S907 PolarHBondContact N-O 3.1Å; L890-S907 PolarHBondContact O-N 3.03Å
908	A	88.3	Confident	89.6	Confident	79 Å²	79	70.4 Å²	70.4	65%	0.653	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.4	167.5	0	0	0	0	0	109	M889	M889-A908 HydrophobicContact SD-CB 3.83Å
909	V	84	Confident	89.9	Confident	28 Å²	28	70.8 Å²	70.8	17%	0.17	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.7	-177.6	-70.6	0	0	0	0	111.4	I874 C888 L890 V913 I922	I874-V909 HydrophobicContact CD1-CG2 4.5Å; C888-V909 HydrophobicContact CB-CG2 3.85Å; C888-V909 PolarHBondContact O-N 2.83Å; C888-V909 VanDerWaalsContact O-N 3.08Å; L890-V909 HydrophobicContact CB-CB 4.48Å; L890-V909 HydrophobicContact CB-CG1 3.59Å; L890-V909 HydrophobicContact CB-CG2 4.03Å; L890-V909 HydrophobicContact CD1-CG1 4.37Å; L890-V909 HydrophobicContact CD2-CG1 4.31Å; L890-V909 HydrophobicContact CG-CG1 4.32Å; V909-V913 HydrophobicContact CB-CG2 3.93Å; V909-V913 HydrophobicContact CG1-CG2 4.06Å; V909-I922 HydrophobicContact CG2-CD1 4.33Å
910	K	75.4	Confident	90.1	Very high	175 Å²	175	66.5 Å²	66.5	76%	0.761	36%	0.355	S	S	*	.			trans	-97.8	174.8	168.3	-66	-174.5	179.3	-179.1	0	109.8	V913	K910-V913 HydrophobicContact CB-CG1 4.29Å; K910-V913 WeakPolarHBondContact O-CG1 3.36Å; K910-V913 VanDerWaalsContact O-CG2 3.24Å; K910-V913 WeakPolarHBondContact O-CG2 3.42Å
911	Y	72.9	Confident	90.3	Very high	114 Å²	114	65.5 Å²	65.5	45%	0.447	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	145.4	-178.4	-48.7	-43.7	0	0	0	112.7	V876 I886 V913	V876-Y911 HydrophobicContact CB-CD1 3.95Å; V876-Y911 HydrophobicContact CB-CE1 4.17Å; V876-Y911 HydrophobicContact CG1-CD1 4.48Å; V876-Y911 HydrophobicContact CG1-CE1 4.2Å; V876-Y911 HydrophobicContact CG2-CD1 3.08Å; V876-Y911 HydrophobicContact CG2-CE1 3.45Å; V876-Y911 VanDerWaalsContact CG2-CE1 3.45Å; V876-Y911 HydrophobicContact CG2-CG 3.97Å; I886-Y911 HydrophobicContact CD1-CE1 3.96Å; I886-Y911 HydrophobicContact CG1-CE1 3.79Å; I886-Y911 WeakPolarHBondContact CG1-OH 3.3Å; Y911-V913 VanDerWaalsContact C-N 3.34Å; Y911-V913 PolarHBondContact O-N 3.24Å
912	N	77.4	Confident	90.2	Very high	106 Å²	106	64.7 Å²	64.7	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	32.5	178	-157.1	22.9	0	0	0	115.1	I874	I874-N912 WeakPolarHBondContact O-CA 3.26Å; I874-N912 PolarHBondContact O-N 3Å
913	V	85.3	Confident	90.1	Very high	38 Å²	38	61.5 Å²	61.5	23%	0.23	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-90.8	145.8	177.5	-63.1	0	0	0	0	112	K873 I874 V909 K910 Y911	K873-V913 WeakPolarHBondContact CA-O 3.45Å; I874-V913 PolarHBondContact N-O 3.03Å; I874-V913 VanDerWaalsContact N-O 3.11Å; V909-V913 HydrophobicContact CB-CG2 3.93Å; V909-V913 HydrophobicContact CG1-CG2 4.06Å; K910-V913 HydrophobicContact CB-CG1 4.29Å; K910-V913 WeakPolarHBondContact O-CG1 3.36Å; K910-V913 VanDerWaalsContact O-CG2 3.24Å; K910-V913 WeakPolarHBondContact O-CG2 3.42Å; Y911-V913 VanDerWaalsContact C-N 3.34Å; Y911-V913 PolarHBondContact O-N 3.24Å
914	P	90.1	Very high	89.9	Confident	102 Å²	102	58.4 Å²	58.4	66%	0.662	31%	0.312	S	S	*	.	B	Isolated β-bridge	trans	-66.4	146.1	170.5	29	-33.8	0	0	0	110.9	G872	G872-P914 CarbonylContact O-C 3.48Å; G872-P914 VanDerWaalsContact O-CA 3.29Å; G872-P914 WeakPolarHBondContact O-CA 3.2Å
915	V	92.6	Very high	89.6	Confident	7 Å²	7	58.2 Å²	58.2	4%	0.042	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-101.6	144.8	171.7	-65.6	0	0	0	0	110.5	G872 I874 L890 T917 F920 T939 V941	G872-V915 WeakPolarHBondContact O-CG2 3.46Å; G872-V915 PolarHBondContact O-N 3.02Å; I874-V915 HydrophobicContact CD1-CG1 3.56Å; I874-V915 HydrophobicContact CG1-CG1 3.69Å; L890-V915 HydrophobicContact CD1-CG1 3.82Å; V915-T917 VanDerWaalsContact C-N 3.31Å; V915-T917 WeakPolarHBondContact CG2-O 3.02Å; V915-T917 PolarHBondContact O-N 3.28Å; V915-F920 HydrophobicContact CB-CD1 4.21Å; V915-F920 HydrophobicContact CB-CE1 4.29Å; V915-F920 HydrophobicContact CG1-CD1 3.98Å; V915-F920 HydrophobicContact CG1-CE1 3.79Å; V915-F920 HydrophobicContact CG1-CZ 4.24Å; V915-F920 HydrophobicContact CG2-CD1 4.22Å; V915-F920 HydrophobicContact CG2-CE1 4.04Å; V915-T939 HydrophobicContact CG2-CG2 3.68Å; V915-V941 HydrophobicContact CG2-CG2 3.92Å; V915-V941 WeakPolarHBondContact O-CG2 3.35Å
916	P	91.8	Very high	89.2	Confident	80 Å²	80	50.9 Å²	50.9	52%	0.519	27%	0.274	S	S	.	.	S	Bend	trans	-76.9	-19.3	-174.7	30.9	-36	0	0	0	113.3	P892 L904	P892-P916 HydrophobicContact CB-CG 3.56Å; P892-P916 HydrophobicContact CG-CG 3.5Å; L904-P916 HydrophobicContact CD1-CB 4.4Å; L904-P916 HydrophobicContact CD1-CG 4.21Å
917	T	95.3	Very high	88.5	Confident	14 Å²	14	49.1 Å²	49.1	9%	0.086	29%	0.285	C	S	.	.	S	Bend	trans	-137.5	157.2	-174.2	55.4	0	0	0	0	110	P892 F893 Y894 L904 V915 F919 V941	P892-T917 HydrophobicContact CB-CG2 4.36Å; P892-T917 WeakPolarHBondContact CB-OG1 3.49Å; F893-T917 PolarHBondContact N-OG1 2.93Å; F893-T917 PolarHBondContact O-OG1 3.49Å; Y894-T917 HydrophobicContact CD1-CG2 4.45Å; L904-T917 HydrophobicContact CD1-CG2 3.94Å; V915-T917 VanDerWaalsContact C-N 3.31Å; V915-T917 WeakPolarHBondContact CG2-O 3.02Å; V915-T917 PolarHBondContact O-N 3.28Å; T917-F919 PolarHBondContact O-N 3.28Å; T917-F919 PolarHBondContact OG1-O 3.1Å; T917-V941 WeakPolarHBondContact O-CG2 3.38Å
918	D	96.7	Very high	87.8	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.048	30%	0.297	C	S	.	.	S	Bend	trans	-59.1	-25.7	176.2	-72.5	33.4	0	0	0	112.7	A938 T939 V941 K943 H1077 Y1110	D918-A938 CarbonylContact O-C 3.51Å; D918-A938 WeakPolarHBondContact O-CA 3.33Å; D918-T939 CarbonylContact C-O 3.48Å; D918-T939 WeakPolarHBondContact CA-O 3.29Å; D918-T939 WeakPolarHBondContact CB-O 3.3Å; D918-T939 PolarHBondContact O-N 3.09Å; D918-T939 VanDerWaalsContact O-O 3.12Å; D918-V941 PolarHBondContact OD1-N 2.88Å; D918-K943 IonicContact OD1-NZ 2.68Å; D918-K943 PolarHBondContact OD1-NZ 2.84Å; D918-H1077 IonicContact OD1-ND1 3.74Å; D918-H1077 IonicContact OD2-CE1 2.91Å; D918-H1077 IonicContact OD2-CG 3.9Å; D918-H1077 IonicContact OD2-ND1 2.85Å; D918-H1077 PolarHBondContact OD2-ND1 2.86Å; D918-Y1110 PolarHBondContact OD2-OH 3.48Å
919	F	97.5	Very high	87.3	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.035	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.4	-172.7	-42.4	-54.9	0	0	0	111.7	F893 T917 A938 Y1078 L1079 F1082 Y1110	F893-F919 HydrophobicContact CD2-CB 3.89Å; F893-F919 HydrophobicContact CE1-CB 4.16Å; F893-F919 HydrophobicContact CE2-CB 3.33Å; F893-F919 HydrophobicContact CE2-CD2 4.34Å; F893-F919 HydrophobicContact CE2-CG 4.13Å; F893-F919 HydrophobicContact CG-CB 4.5Å; F893-F919 HydrophobicContact CZ-CB 3.49Å; F893-F919 VanDerWaalsContact CZ-CB 3.49Å; F893-F919 PolarHBondContact N-O 3.5Å; F893-F919 VanDerWaalsContact N-O 3.1Å; T917-F919 PolarHBondContact O-N 3.28Å; T917-F919 PolarHBondContact OG1-O 3.1Å; F919-A938 HydrophobicContact CD1-CB 3.85Å; F919-A938 HydrophobicContact CE1-CB 4.06Å; F919-Y1078 VanDerWaalsContact CE2-O 3.31Å; F919-Y1078 WeakPolarHBondContact CE2-O 3.46Å; F919-Y1078 VanDerWaalsContact CZ-O 3.29Å; F919-Y1078 WeakPolarHBondContact CZ-O 3.38Å; F919-L1079 HydrophobicContact CE1-CD1 3.89Å; F919-L1079 HydrophobicContact CZ-CD1 4.39Å; F919-F1082 HydrophobicContact CB-CD2 4.37Å; F919-F1082 HydrophobicContact CD1-CB 3.83Å; F919-F1082 HydrophobicContact CD1-CD2 4.03Å; F919-F1082 HydrophobicContact CD1-CG 4.31Å; F919-F1082 HydrophobicContact CE1-CB 4.08Å; F919-F1082 HydrophobicContact CG-CB 4.08Å; F919-F1082 HydrophobicContact CG-CD2 4.42Å; F919-Y1110 AromaticContact CE1-CE2 3.8Å; F919-Y1110 HydrophobicContact CE1-CE2 3.8Å; F919-Y1110 AromaticContact CE1-CZ 3.86Å; F919-Y1110 HydrophobicContact CZ-CE2 4.4Å
920	F	96.5	Very high	87.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	150.7	175.9	57.6	-88.1	0	0	0	111.7	I867 A869 I874 L890 E891 P892 F893 V915 I922 H937 T939	I867-F920 HydrophobicContact CD1-CE2 3.93Å; I867-F920 HydrophobicContact CD1-CZ 4.28Å; A869-F920 HydrophobicContact CB-CE1 3.94Å; A869-F920 HydrophobicContact CB-CZ 3.73Å; I874-F920 HydrophobicContact CD1-CD2 4.44Å; I874-F920 HydrophobicContact CD1-CE2 3.76Å; I874-F920 HydrophobicContact CD1-CZ 3.85Å; I874-F920 HydrophobicContact CG1-CE1 4.36Å; I874-F920 HydrophobicContact CG1-CE2 3.95Å; I874-F920 HydrophobicContact CG1-CZ 3.58Å; L890-F920 HydrophobicContact CD1-CB 3.91Å; L890-F920 HydrophobicContact CD1-CD1 4.29Å; L890-F920 HydrophobicContact CD1-CD2 3.38Å; L890-F920 HydrophobicContact CD1-CE2 3.88Å; L890-F920 HydrophobicContact CD1-CG 3.6Å; L890-F920 HydrophobicContact CG-CB 4.12Å; L890-F920 HydrophobicContact CG-CD2 4.26Å; L890-F920 HydrophobicContact CG-CG 4.35Å; E891-F920 WeakPolarHBondContact O-CA 3.38Å; P892-F920 HydrophobicContact CB-CB 4.41Å; F893-F920 VanDerWaalsContact CE1-C 3.44Å; V915-F920 HydrophobicContact CB-CD1 4.21Å; V915-F920 HydrophobicContact CB-CE1 4.29Å; V915-F920 HydrophobicContact CG1-CD1 3.98Å; V915-F920 HydrophobicContact CG1-CE1 3.79Å; V915-F920 HydrophobicContact CG1-CZ 4.24Å; V915-F920 HydrophobicContact CG2-CD1 4.22Å; V915-F920 HydrophobicContact CG2-CE1 4.04Å; F920-I922 HydrophobicContact CD2-CB 4.26Å; F920-I922 HydrophobicContact CE2-CB 4.35Å; F920-H937 HydrophobicContact CD2-CB 4.31Å; F920-H937 HydrophobicContact CE1-CB 4.02Å; F920-H937 HydrophobicContact CE2-CB 3.68Å; F920-H937 HydrophobicContact CZ-CB 3.52Å; F920-H937 PolarHBondContact N-O 3.11Å; F920-H937 PolarHBondContact O-N 2.98Å; F920-T939 HydrophobicContact CE1-CG2 4.21Å
921	K	95.5	Very high	87.5	Confident	33 Å²	33	48.8 Å²	48.8	14%	0.143	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	139	165.3	-179.7	-169.2	176.7	-164.6	0	107.7	E891 E923 Y936	E891-K921 HydrophobicContact CB-CB 4.26Å; E891-K921 PolarHBondContact N-O 2.74Å; E891-K921 PolarHBondContact O-N 2.94Å; K921-E923 WeakPolarHBondContact CE-OE1 3.48Å; K921-E923 IonicContact NZ-OE1 2.97Å; K921-E923 PolarHBondContact NZ-OE1 3.29Å; K921-Y936 HydrophobicContact CB-CD1 3.92Å; K921-Y936 HydrophobicContact CB-CE1 3.7Å; K921-Y936 HydrophobicContact CD-CE1 4.01Å; K921-Y936 WeakPolarHBondContact CD-OH 3.45Å; K921-Y936 HydrophobicContact CG-CD1 4.25Å; K921-Y936 HydrophobicContact CG-CE1 3.78Å; K921-Y936 HydrophobicContact CG-CE2 4.4Å
922	I	93.4	Very high	88.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.5	175.9	-160.9	170.2	0	0	0	110.5	I867 I874 C888 V909 F920 Y933 T934 N935	I867-I922 HydrophobicContact CD1-CD1 3.82Å; I867-I922 HydrophobicContact CD1-CG2 3.99Å; I867-I922 HydrophobicContact CG1-CD1 4.17Å; I867-I922 HydrophobicContact CG1-CG2 4.07Å; I874-I922 HydrophobicContact CD1-CD1 4.24Å; C888-I922 HydrophobicContact CB-CD1 3.98Å; C888-I922 HydrophobicContact CB-CG1 4.14Å; V909-I922 HydrophobicContact CG2-CD1 4.33Å; F920-I922 HydrophobicContact CD2-CB 4.26Å; F920-I922 HydrophobicContact CE2-CB 4.35Å; I922-Y933 HydrophobicContact CG2-CD1 4.33Å; I922-Y933 HydrophobicContact CG2-CE1 3.86Å; I922-T934 WeakPolarHBondContact O-CA 3.47Å; I922-N935 PolarHBondContact N-O 3.19Å; I922-N935 PolarHBondContact O-N 2.97Å; I922-N935 VanDerWaalsContact O-N 3.11Å
923	E	93.3	Very high	88.8	Confident	46 Å²	46	45.5 Å²	45.5	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.6	173.3	-67.6	177.9	176.2	0	0	108.2	C888 M889 R906 K921 Y933 T934	C888-E923 CarbonylContact C-O 3.6Å; C888-E923 WeakPolarHBondContact CA-O 3.47Å; M889-E923 PolarHBondContact N-O 3.4Å; M889-E923 PolarHBondContact O-N 3.09Å; R906-E923 IonicContact CZ-OE2 2.7Å; R906-E923 IonicContact NH1-OE2 3.6Å; R906-E923 IonicContact NH2-OE2 2.74Å; R906-E923 PolarHBondContact NH2-OE2 3.43Å; K921-E923 WeakPolarHBondContact CE-OE1 3.48Å; K921-E923 IonicContact NZ-OE1 2.97Å; K921-E923 PolarHBondContact NZ-OE1 3.29Å; E923-Y933 CarbonylContact C-O 3.47Å; E923-Y933 VanDerWaalsContact CA-O 3.3Å; E923-Y933 WeakPolarHBondContact CA-O 3.39Å; E923-T934 HydrophobicContact CG-CG2 3.94Å
924	C	90.3	Very high	89.2	Confident	1 Å²	1	47 Å²	47	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.4	178.8	-58.2	0	0	0	0	110.9	W866 S887 C888 M932 Y933	W866-C924 HydrophobicContact CE3-CB 3.88Å; W866-C924 HydrophobicContact CZ3-CB 4.1Å; S887-C924 CarbonylContact O-C 3.5Å; S887-C924 WeakPolarHBondContact O-CA 3.49Å; C888-C924 HydrophobicContact CB-CB 4.12Å; C888-C924 WeakPolarHBondContact CB-SG 3.49Å; C888-C924 WeakPolarHBondContact SG-CB 3.19Å; C888-C924 CovalentContact SG-SG 2.04Å; C888-C924 PolarHBondContact SG-SG 3.29Å; C924-M932 CarbonylContact O-C 3.58Å; C924-M932 WeakPolarHBondContact O-CA 3.08Å; C924-Y933 HydrophobicContact CB-CD1 4.39Å; C924-Y933 PolarHBondContact N-O 3.35Å; C924-Y933 PolarHBondContact O-N 3.27Å
925	T	88.7	Confident	89.3	Confident	60 Å²	60	42.4 Å²	42.4	37%	0.368	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.9	173	-52	0	0	0	0	109.7	I886 S887 R931	I886-T925 WeakPolarHBondContact CA-O 3.26Å; S887-T925 PolarHBondContact N-O 2.81Å; S887-T925 PolarHBondContact O-N 2.92Å; T925-R931 WeakPolarHBondContact CA-O 3.22Å
926	A	84.5	Confident	89.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.6	172.4	0	0	0	0	0	110.3	W866 N883 I886 A928 D929 S930 R931	W866-A926 HydrophobicContact CH2-CB 3.79Å; W866-A926 HydrophobicContact CZ3-CB 4.08Å; N883-A926 HydrophobicContact CB-CB 4.27Å; I886-A926 HydrophobicContact CG2-CB 4.2Å; A926-A928 VanDerWaalsContact C-N 3.27Å; A926-A928 PolarHBondContact O-N 2.96Å; A926-D929 WeakPolarHBondContact CB-OD1 3.47Å; A926-S930 WeakPolarHBondContact O-CA 3.5Å; A926-S930 PolarHBondContact O-N 2.93Å; A926-R931 PolarHBondContact N-O 3.35Å
927	A	79.1	Confident	89.7	Confident	80 Å²	80	39.3 Å²	39.3	66%	0.661	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.6	-177.6	0	0	0	0	0	113.6	N885	N885-A927 WeakPolarHBondContact O-CB 3.42Å; N885-A927 PolarHBondContact O-N 2.86Å; N885-A927 VanDerWaalsContact O-N 3.1Å
928	A	75.3	Confident	89.7	Confident	74 Å²	74	39.5 Å²	39.5	61%	0.612	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-32	-174.4	0	0	0	0	0	114.1	N883 A926	N883-A928 WeakPolarHBondContact O-CB 3.45Å; A926-A928 VanDerWaalsContact C-N 3.27Å; A926-A928 PolarHBondContact O-N 2.96Å
929	D	78.5	Confident	89.7	Confident	66 Å²	66	39 Å²	39	35%	0.353	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	5.8	-172.5	62.5	13.8	0	0	0	114.4	A926 R931	A926-D929 WeakPolarHBondContact CB-OD1 3.47Å; D929-R931 PolarHBondContact O-N 3.27Å; D929-R931 VanDerWaalsContact O-N 3.12Å; D929-R931 VanDerWaalsContact OD1-CB 3.31Å; D929-R931 WeakPolarHBondContact OD1-CB 3.19Å; D929-R931 PolarHBondContact OD1-N 2.91Å; D929-R931 IonicContact OD1-NE 2.87Å; D929-R931 IonicContact OD2-CZ 3.64Å; D929-R931 IonicContact OD2-NE 3.15Å; D929-R931 PolarHBondContact OD2-NE 2.71Å; D929-R931 IonicContact OD2-NH2 2.76Å; D929-R931 PolarHBondContact OD2-NH2 3.13Å
930	S	78.9	Confident	89.7	Confident	94 Å²	94	38.7 Å²	38.7	66%	0.657	23%	0.228	S	C	*	.			trans	58.6	17.5	-177.3	-53.6	0	0	0	0	114.7	A926	A926-S930 WeakPolarHBondContact O-CA 3.5Å; A926-S930 PolarHBondContact O-N 2.93Å
931	R	84.3	Confident	89.6	Confident	92 Å²	92	40.1 Å²	40.1	35%	0.347	24%	0.236	S	C	.	.			trans	-63.8	142.5	172.5	-80.7	-170	-70.6	170.6	-18.2	110.7	E863 W866 N883 T925 A926 D929	E863-R931 IonicContact OE1-NH1 3.19Å; E863-R931 PolarHBondContact OE1-NH1 2.93Å; E863-R931 VanDerWaalsContact OE1-NH1 3.15Å; W866-R931 HydrophobicContact CH2-CB 3.95Å; W866-R931 HydrophobicContact CZ2-CB 4.12Å; N883-R931 PolarHBondContact ND2-NH2 3.41Å; N883-R931 PolarHBondContact OD1-NH2 2.88Å; T925-R931 WeakPolarHBondContact CA-O 3.22Å; A926-R931 PolarHBondContact N-O 3.35Å; D929-R931 PolarHBondContact O-N 3.27Å; D929-R931 VanDerWaalsContact O-N 3.12Å; D929-R931 VanDerWaalsContact OD1-CB 3.31Å; D929-R931 WeakPolarHBondContact OD1-CB 3.19Å; D929-R931 PolarHBondContact OD1-N 2.91Å; D929-R931 IonicContact OD1-NE 2.87Å; D929-R931 IonicContact OD2-CZ 3.64Å; D929-R931 IonicContact OD2-NE 3.15Å; D929-R931 PolarHBondContact OD2-NE 2.71Å; D929-R931 IonicContact OD2-NH2 2.76Å; D929-R931 PolarHBondContact OD2-NH2 3.13Å
932	M	87.9	Confident	89.5	Confident	131 Å²	131	41.3 Å²	41.3	65%	0.645	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.6	178.2	-65.8	-174.7	66.6	0	0	110.6	C924	C924-M932 CarbonylContact O-C 3.58Å; C924-M932 WeakPolarHBondContact O-CA 3.08Å
933	Y	90	Very high	89.3	Confident	20 Å²	20	44 Å²	44	8%	0.078	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.3	170.3	171.4	-99.5	0	0	0	108.9	N865 W866 I867 I922 E923 C924 N935 H937	N865-Y933 WeakPolarHBondContact CB-OH 3.46Å; N865-Y933 PolarHBondContact OD1-OH 2.94Å; W866-Y933 HydrophobicContact CB-CD1 3.88Å; W866-Y933 HydrophobicContact CB-CD2 4.04Å; W866-Y933 HydrophobicContact CB-CE1 4.07Å; W866-Y933 HydrophobicContact CB-CE2 4.24Å; W866-Y933 HydrophobicContact CB-CG 3.85Å; W866-Y933 AromaticContact CD1-CD2 3.64Å; W866-Y933 HydrophobicContact CD2-CD1 4.43Å; W866-Y933 HydrophobicContact CD2-CD2 4.11Å; W866-Y933 AromaticContact CD2-CG 3.73Å; W866-Y933 HydrophobicContact CD2-CG 3.73Å; W866-Y933 HydrophobicContact CE3-CG 4.1Å; W866-Y933 HydrophobicContact CG-CD1 4.13Å; W866-Y933 AromaticContact CG-CD2 3.64Å; W866-Y933 HydrophobicContact CG-CD2 3.64Å; W866-Y933 HydrophobicContact CG-CE2 4.22Å; W866-Y933 AromaticContact CG-CG 3.58Å; W866-Y933 HydrophobicContact CG-CG 3.58Å; I867-Y933 HydrophobicContact CG1-CE1 4.09Å; I922-Y933 HydrophobicContact CG2-CD1 4.33Å; I922-Y933 HydrophobicContact CG2-CE1 3.86Å; E923-Y933 CarbonylContact C-O 3.47Å; E923-Y933 VanDerWaalsContact CA-O 3.3Å; E923-Y933 WeakPolarHBondContact CA-O 3.39Å; C924-Y933 HydrophobicContact CB-CD1 4.39Å; C924-Y933 PolarHBondContact N-O 3.35Å; C924-Y933 PolarHBondContact O-N 3.27Å; Y933-N935 HydrophobicContact CE1-CB 3.83Å; Y933-N935 HydrophobicContact CE2-CB 4.02Å; Y933-N935 VanDerWaalsContact CZ-CB 3.43Å; Y933-N935 VanDerWaalsContact OH-CB 3.25Å; Y933-N935 WeakPolarHBondContact OH-CB 3.34Å; Y933-N935 PolarHBondContact OH-ND2 3.36Å; Y933-N935 VanDerWaalsContact OH-ND2 3.09Å; Y933-H937 AromaticContact CZ-NE2 3.95Å; Y933-H937 PolarHBondContact OH-CE1 2.84Å; Y933-H937 PolarHBondContact OH-NE2 3.39Å
934	T	92.2	Very high	88.7	Confident	68 Å²	68	50 Å²	50	42%	0.417	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.7	173.3	-58.7	0	0	0	0	108.7	I922 E923	I922-T934 WeakPolarHBondContact O-CA 3.47Å; E923-T934 HydrophobicContact CG-CG2 3.94Å
935	N	94	Very high	87.9	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	166.5	176.4	-156.9	10.8	0	0	0	112.2	N865 I922 Y933 F1098	N865-N935 PolarHBondContact OD1-ND2 2.99Å; I922-N935 PolarHBondContact N-O 3.19Å; I922-N935 PolarHBondContact O-N 2.97Å; I922-N935 VanDerWaalsContact O-N 3.11Å; Y933-N935 HydrophobicContact CE1-CB 3.83Å; Y933-N935 HydrophobicContact CE2-CB 4.02Å; Y933-N935 VanDerWaalsContact CZ-CB 3.43Å; Y933-N935 VanDerWaalsContact OH-CB 3.25Å; Y933-N935 WeakPolarHBondContact OH-CB 3.34Å; Y933-N935 PolarHBondContact OH-ND2 3.36Å; Y933-N935 VanDerWaalsContact OH-ND2 3.09Å; N935-F1098 VanDerWaalsContact ND2-C 3.32Å; N935-F1098 PolarHBondContact ND2-O 3.44Å; N935-F1098 VanDerWaalsContact ND2-O 3.1Å
936	Y	95.3	Very high	87.4	Confident	11 Å²	11	53 Å²	53	4%	0.043	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.7	175.9	-62.3	-99.3	0	0	0	108.8	F893 K921 K1085 A1086 D1089 T1090 F1098	F893-Y936 HydrophobicContact CE1-CD1 4.07Å; F893-Y936 HydrophobicContact CZ-CD1 4.27Å; K921-Y936 HydrophobicContact CB-CD1 3.92Å; K921-Y936 HydrophobicContact CB-CE1 3.7Å; K921-Y936 HydrophobicContact CD-CE1 4.01Å; K921-Y936 WeakPolarHBondContact CD-OH 3.45Å; K921-Y936 HydrophobicContact CG-CD1 4.25Å; K921-Y936 HydrophobicContact CG-CE1 3.78Å; K921-Y936 HydrophobicContact CG-CE2 4.4Å; Y936-K1085 HydrophobicContact CE1-CG 4.2Å; Y936-A1086 HydrophobicContact CD1-CB 4.18Å; Y936-A1086 HydrophobicContact CD2-CB 4.24Å; Y936-A1086 HydrophobicContact CE1-CB 4.5Å; Y936-A1086 HydrophobicContact CG-CB 4.06Å; Y936-D1089 WeakPolarHBondContact CE1-OD2 3.18Å; Y936-D1089 WeakPolarHBondContact OH-CB 3.38Å; Y936-D1089 VanDerWaalsContact OH-CG 3.28Å; Y936-D1089 PolarHBondContact OH-OD2 2.96Å; Y936-T1090 HydrophobicContact CE2-CG2 4Å; Y936-F1098 HydrophobicContact CD2-CE1 4.45Å; Y936-F1098 HydrophobicContact CG-CE1 4.46Å
937	H	95.7	Very high	86.7	Confident	11 Å²	11	58.7 Å²	58.7	5%	0.051	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.3	-177.8	-71	-93.1	0	0	0	111.3	I867 A869 F920 Y933	I867-H937 PolarHBondContact O-CE1 2.78Å; A869-H937 HydrophobicContact CB-CB 4.08Å; F920-H937 HydrophobicContact CD2-CB 4.31Å; F920-H937 HydrophobicContact CE1-CB 4.02Å; F920-H937 HydrophobicContact CE2-CB 3.68Å; F920-H937 HydrophobicContact CZ-CB 3.52Å; F920-H937 PolarHBondContact N-O 3.11Å; F920-H937 PolarHBondContact O-N 2.98Å; Y933-H937 AromaticContact CZ-NE2 3.95Å; Y933-H937 PolarHBondContact OH-CE1 2.84Å; Y933-H937 PolarHBondContact OH-NE2 3.39Å
938	A	96.3	Very high	86.1	Confident	17 Å²	17	56.9 Å²	56.9	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136	175.1	0	0	0	0	0	109.9	D918 F919 L1079 F1082 Y1110	D918-A938 CarbonylContact O-C 3.51Å; D918-A938 WeakPolarHBondContact O-CA 3.33Å; F919-A938 HydrophobicContact CD1-CB 3.85Å; F919-A938 HydrophobicContact CE1-CB 4.06Å; A938-L1079 HydrophobicContact CB-CD1 4.32Å; A938-F1082 HydrophobicContact CB-CD2 4.02Å; A938-F1082 HydrophobicContact CB-CE2 4.11Å; A938-F1082 HydrophobicContact CB-CG 4.46Å; A938-Y1110 HydrophobicContact CB-CD2 3.99Å; A938-Y1110 HydrophobicContact CB-CE2 4.42Å
939	T	96.5	Very high	86.2	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.342	C	S	.	.			trans	-151	170.1	177	-173.4	0	0	0	0	109.7	A869 R870 K871 G872 V915 D918 F920 Y1110 D1113	A869-T939 HydrophobicContact CB-CG2 4.06Å; R870-T939 WeakPolarHBondContact CA-OG1 3.15Å; K871-T939 PolarHBondContact N-OG1 2.97Å; G872-T939 PolarHBondContact N-OG1 2.95Å; V915-T939 HydrophobicContact CG2-CG2 3.68Å; D918-T939 CarbonylContact C-O 3.48Å; D918-T939 WeakPolarHBondContact CA-O 3.29Å; D918-T939 WeakPolarHBondContact CB-O 3.3Å; D918-T939 PolarHBondContact O-N 3.09Å; D918-T939 VanDerWaalsContact O-O 3.12Å; F920-T939 HydrophobicContact CE1-CG2 4.21Å; T939-Y1110 WeakPolarHBondContact O-CE2 3.45Å; T939-D1113 VanDerWaalsContact CA-OD2 3.32Å; T939-D1113 WeakPolarHBondContact CA-OD2 3.27Å; T939-D1113 WeakPolarHBondContact CB-OD2 3.38Å; T939-D1113 PolarHBondContact OG1-OD2 3.05Å
940	I	97.2	Very high	86.5	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.338	C	S	.	.			trans	-101.5	112.5	179.5	-61.9	-70.6	0	0	0	109.8	K871 G872 L1052 H1077 Y1110 D1113 F1114 T1117 Y1118	K871-I940 CarbonylContact C-O 3.54Å; G872-I940 WeakPolarHBondContact CA-O 3.41Å; G872-I940 PolarHBondContact N-O 3.4Å; I940-L1052 HydrophobicContact CD1-CD1 4.06Å; I940-H1077 HydrophobicContact CD1-CB 4.15Å; I940-Y1110 HydrophobicContact CD1-CD2 3.85Å; I940-Y1110 HydrophobicContact CD1-CE1 4.12Å; I940-Y1110 HydrophobicContact CD1-CE2 3.31Å; I940-Y1110 HydrophobicContact CD1-CG 4.45Å; I940-Y1110 VanDerWaalsContact CD1-CZ 3.47Å; I940-Y1110 HydrophobicContact CG1-CD2 4.27Å; I940-Y1110 HydrophobicContact CG1-CE2 4.07Å; I940-D1113 HydrophobicContact CG1-CB 4.07Å; I940-D1113 PolarHBondContact N-OD2 3.29Å; I940-F1114 HydrophobicContact CD1-CB 3.96Å; I940-F1114 HydrophobicContact CD1-CD2 4.28Å; I940-F1114 HydrophobicContact CG1-CB 3.88Å; I940-F1114 HydrophobicContact CG2-CD2 4.32Å; I940-T1117 HydrophobicContact CB-CG2 4.4Å; I940-T1117 HydrophobicContact CG2-CG2 3.77Å; I940-Y1118 HydrophobicContact CG2-CE2 4.05Å
941	V	95.8	Very high	86.8	Confident	30 Å²	30	59.3 Å²	59.3	18%	0.182	32%	0.321	C	S	.	.			trans	-92.7	107.5	168.1	-179	0	0	0	0	107.8	V915 T917 D918 K943 H1077	V915-V941 HydrophobicContact CG2-CG2 3.92Å; V915-V941 WeakPolarHBondContact O-CG2 3.35Å; T917-V941 WeakPolarHBondContact O-CG2 3.38Å; D918-V941 PolarHBondContact OD1-N 2.88Å; V941-K943 WeakPolarHBondContact O-CD 3.26Å; V941-K943 WeakPolarHBondContact O-CE 3.39Å; V941-K943 PolarHBondContact O-N 2.89Å; V941-K943 PolarHBondContact O-NZ 3.37Å; V941-H1077 PolarHBondContact O-CE1 3.02Å
942	A	91.8	Very high	86.8	Confident	58 Å²	58	60.7 Å²	60.7	48%	0.479	34%	0.342	S	S	.	.			trans	-50.9	128.9	-179.4	0	0	0	0	0	111.2	T1117 Y1118	A942-T1117 HydrophobicContact CB-CG2 3.92Å; A942-Y1118 HydrophobicContact CB-CE1 4.5Å
943	K	90.4	Very high	86.9	Confident	57 Å²	57	55.1 Å²	55.1	25%	0.248	32%	0.316	C	S	.	.			trans	-93.2	127	179.7	-52.4	-57.9	177.8	-151.7	0	109.6	D918 V941 T945 V946 D1076 Y1118	D918-K943 IonicContact OD1-NZ 2.68Å; D918-K943 PolarHBondContact OD1-NZ 2.84Å; V941-K943 WeakPolarHBondContact O-CD 3.26Å; V941-K943 WeakPolarHBondContact O-CE 3.39Å; V941-K943 PolarHBondContact O-N 2.89Å; V941-K943 PolarHBondContact O-NZ 3.37Å; K943-T945 PolarHBondContact O-N 2.97Å; K943-T945 VanDerWaalsContact O-N 3.17Å; K943-V946 HydrophobicContact CB-CG2 4.19Å; K943-V946 WeakPolarHBondContact O-CB 3.38Å; K943-V946 PolarHBondContact O-N 3.38Å; K943-V946 VanDerWaalsContact O-N 3.09Å; K943-D1076 HydrophobicContact CG-CB 4.4Å; K943-Y1118 PolarHBondContact N-OH 3.05Å; K943-Y1118 VanDerWaalsContact N-OH 3.14Å
944	E	80.1	Confident	86.9	Confident	172 Å²	172	59.3 Å²	59.3	80%	0.804	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-58.7	-29.9	179.1	-65.1	-179.7	174.6	0	0	112.7	V946 N947	E944-V946 PolarHBondContact O-N 3.12Å; E944-V946 VanDerWaalsContact O-N 3.1Å; E944-N947 WeakPolarHBondContact O-CB 3.4Å; E944-N947 PolarHBondContact O-N 3.43Å; E944-N947 VanDerWaalsContact O-N 3.13Å
945	T	74	Confident	86.7	Confident	116 Å²	116	57.5 Å²	57.5	71%	0.712	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.7	178	54.8	0	0	0	0	114.3	K943	K943-T945 PolarHBondContact O-N 2.97Å; K943-T945 VanDerWaalsContact O-N 3.17Å
946	V	78.6	Confident	86.6	Confident	9 Å²	9	58 Å²	58	6%	0.055	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-87.3	-16.4	180	177.3	0	0	0	0	111.8	K943 E944 G948 A1050 D1076 Y1118 Q1122	K943-V946 HydrophobicContact CB-CG2 4.19Å; K943-V946 WeakPolarHBondContact O-CB 3.38Å; K943-V946 PolarHBondContact O-N 3.38Å; K943-V946 VanDerWaalsContact O-N 3.09Å; E944-V946 PolarHBondContact O-N 3.12Å; E944-V946 VanDerWaalsContact O-N 3.1Å; V946-G948 PolarHBondContact O-N 2.91Å; V946-A1050 HydrophobicContact CG1-CB 3.63Å; V946-D1076 HydrophobicContact CG2-CB 4.35Å; V946-Y1118 HydrophobicContact CB-CE1 3.81Å; V946-Y1118 HydrophobicContact CG1-CD1 4.02Å; V946-Y1118 HydrophobicContact CG1-CE1 3.57Å; V946-Y1118 HydrophobicContact CG2-CE1 4.22Å; V946-Q1122 HydrophobicContact CG1-CG 3.99Å; V946-Q1122 PolarHBondContact O-OE1 2.67Å
947	N	68.3	Low	86.2	Confident	119 Å²	119	66.5 Å²	66.5	64%	0.636	38%	0.375	S	S	*	.			trans	-73.8	20.6	-179.5	-65.9	-22	0	0	0	114.1	E944	E944-N947 WeakPolarHBondContact O-CB 3.4Å; E944-N947 PolarHBondContact O-N 3.43Å; E944-N947 VanDerWaalsContact O-N 3.13Å
948	G	67.5	Low	85.8	Confident	43 Å²	43	71.2 Å²	71.2	44%	0.443	39%	0.393	S	S	.	.	S	Bend	trans	-74	163.6	178.8	0	0	0	0	0	113.2	V946 V950	V946-G948 PolarHBondContact O-N 2.91Å; G948-V950 PolarHBondContact O-N 3.44Å
949	Q	76.8	Confident	85.6	Confident	182 Å²	182	71.1 Å²	71.1	85%	0.85	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-60.9	126.8	173.7	-172.9	176.1	-4.6	0	0	110
950	V	84.8	Confident	85.6	Confident	45 Å²	45	71.4 Å²	71.4	27%	0.273	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-77.1	122.4	176.8	177.2	0	0	0	0	109.1	G948 P959 P1123	G948-V950 PolarHBondContact O-N 3.44Å; V950-P959 HydrophobicContact CG1-CG 3.71Å; V950-P1123 HydrophobicContact CG1-CG 3.94Å; V950-P1123 HydrophobicContact CG2-CG 4.14Å
951	D	85.1	Confident	85.6	Confident	57 Å²	57	71.6 Å²	71.6	31%	0.305	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.7	135.8	176.5	-79.9	-6.4	0	0	0	109.8	R1046 L1047	D951-R1046 IonicContact OD2-NH1 2.97Å; D951-R1046 PolarHBondContact OD2-NH1 3.39Å; D951-L1047 HydrophobicContact CB-CB 4.37Å; D951-L1047 HydrophobicContact CB-CD2 3.59Å; D951-L1047 PolarHBondContact N-O 3.35Å
952	P	85	Confident	85.7	Confident	122 Å²	122	70.3 Å²	70.3	79%	0.792	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-66.4	140	176.9	27.3	-33.6	0	0	0	111.3
953	V	90	Very high	86.1	Confident	14 Å²	14	67.5 Å²	67.5	9%	0.085	36%	0.362	C	S	.	.			trans	-107.6	151.4	172.1	-64.7	0	0	0	0	110.7	F956 P959	V953-F956 HydrophobicContact CG2-CB 4.18Å; V953-F956 HydrophobicContact CG2-CD2 4.17Å; V953-P959 HydrophobicContact CG1-CB 4.25Å; V953-P959 HydrophobicContact CG1-CG 4.04Å; V953-P959 HydrophobicContact CG2-CB 4.05Å; V953-P959 HydrophobicContact CG2-CG 3.94Å
954	I	88.9	Confident	86.5	Confident	107 Å²	107	64.8 Å²	64.8	55%	0.549	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-81.7	131.9	-178.1	-59.6	171.3	0	0	0	109.9	L1234 N1235 F1236	I954-L1234 PolarHBondContact N-O 2.73Å; I954-N1235 WeakPolarHBondContact CB-OD1 3.34Å; I954-N1235 WeakPolarHBondContact CG2-OD1 3.45Å; I954-F1236 PolarHBondContact O-N 2.82Å
955	G	89.4	Confident	87.3	Confident	31 Å²	31	56.7 Å²	56.7	32%	0.32	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.9	-16.4	174.4	0	0	0	0	0	115.4	F1236	G955-F1236 VanDerWaalsContact CA-O 3.23Å; G955-F1236 WeakPolarHBondContact CA-O 3.41Å
956	F	91.7	Very high	88.4	Confident	17 Å²	17	51.2 Å²	51.2	8%	0.075	28%	0.279	C	S	.	.	S	Bend	trans	-125.3	146.3	179.7	-52.3	-75.8	0	0	0	110.8	V953 R958 L960 W1201 F1202 F1206 L1233 F1236	V953-F956 HydrophobicContact CG2-CB 4.18Å; V953-F956 HydrophobicContact CG2-CD2 4.17Å; F956-R958 VanDerWaalsContact CB-O 3.23Å; F956-R958 WeakPolarHBondContact CB-O 3.42Å; F956-R958 PolarHBondContact O-N 2.81Å; F956-L960 HydrophobicContact CD1-CD1 4.24Å; F956-L960 HydrophobicContact CD1-CG 4.43Å; F956-L960 HydrophobicContact CE1-CD1 3.79Å; F956-L960 HydrophobicContact CE1-CG 4.45Å; F956-L960 HydrophobicContact CZ-CD1 3.95Å; F956-W1201 AromaticContact CD1-CH2 3.99Å; F956-W1201 HydrophobicContact CD1-CH2 3.99Å; F956-W1201 HydrophobicContact CE1-CH2 4.19Å; F956-F1202 HydrophobicContact CE1-CD2 4.4Å; F956-F1202 AromaticContact CE1-CE2 3.7Å; F956-F1202 HydrophobicContact CE1-CE2 3.7Å; F956-F1202 HydrophobicContact CE1-CZ 4.43Å; F956-F1202 AromaticContact CZ-CE2 3.94Å; F956-F1202 HydrophobicContact CZ-CE2 3.94Å; F956-F1202 HydrophobicContact CZ-CZ 4.42Å; F956-F1206 HydrophobicContact CD1-CE2 4.1Å; F956-F1206 HydrophobicContact CD1-CZ 4.5Å; F956-F1206 HydrophobicContact CE1-CD2 4.4Å; F956-F1206 AromaticContact CE1-CE2 3.55Å; F956-F1206 HydrophobicContact CE1-CE2 3.55Å; F956-F1206 HydrophobicContact CE1-CZ 4.16Å; F956-F1206 HydrophobicContact CZ-CE2 4.36Å; F956-L1233 WeakPolarHBondContact CE2-O 3.48Å; F956-L1233 HydrophobicContact CZ-CD2 4.41Å; F956-F1236 HydrophobicContact CD2-CB 4.25Å; F956-F1236 HydrophobicContact CE1-CD1 4.38Å; F956-F1236 HydrophobicContact CE1-CG 4.43Å; F956-F1236 HydrophobicContact CE2-CB 3.38Å; F956-F1236 HydrophobicContact CE2-CD1 4.48Å; F956-F1236 HydrophobicContact CE2-CD2 4.29Å; F956-F1236 AromaticContact CE2-CG 3.8Å; F956-F1236 HydrophobicContact CE2-CG 3.8Å; F956-F1236 HydrophobicContact CZ-CB 3.64Å; F956-F1236 AromaticContact CZ-CD1 3.85Å; F956-F1236 HydrophobicContact CZ-CD1 3.85Å; F956-F1236 AromaticContact CZ-CD2 3.91Å; F956-F1236 HydrophobicContact CZ-CD2 3.91Å; F956-F1236 AromaticContact CZ-CG 3.49Å; F956-F1236 HydrophobicContact CZ-CG 3.49Å; F956-F1236 VanDerWaalsContact CZ-CG 3.49Å
957	E	85.8	Confident	89.2	Confident	189 Å²	189	51 Å²	51	88%	0.883	28%	0.277	S	S	*	.	S	Bend	trans	-66.8	-29.3	174.1	-72.4	163.1	-149.1	0	0	111.7
958	R	87.6	Confident	90.4	Very high	110 Å²	110	45.7 Å²	45.7	42%	0.415	25%	0.249	S	C	.	.	S	Bend	trans	-145.5	150.8	173.1	62	-176.2	-178	145.7	7.7	109.9	F956 R1120 D1163	F956-R958 VanDerWaalsContact CB-O 3.23Å; F956-R958 WeakPolarHBondContact CB-O 3.42Å; F956-R958 PolarHBondContact O-N 2.81Å; R958-R1120 PolarHBondContact NH1-O 2.95Å; R958-D1163 IonicContact CZ-OD2 2.65Å; R958-D1163 IonicContact NH1-OD2 3.04Å; R958-D1163 VanDerWaalsContact NH2-CB 3.25Å; R958-D1163 IonicContact NH2-OD2 3.89Å; R958-D1163 PolarHBondContact NH2-OD2 2.82Å
959	P	92.7	Very high	91.4	Very high	15 Å²	15	44 Å²	44	10%	0.097	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-59.2	140.6	175.6	-17.4	28.7	0	0	0	111.8	V950 V953 Y1049 P1123	V950-P959 HydrophobicContact CG1-CG 3.71Å; V953-P959 HydrophobicContact CG1-CB 4.25Å; V953-P959 HydrophobicContact CG1-CG 4.04Å; V953-P959 HydrophobicContact CG2-CB 4.05Å; V953-P959 HydrophobicContact CG2-CG 3.94Å; P959-Y1049 HydrophobicContact CB-CE2 3.71Å; P959-Y1049 WeakPolarHBondContact CB-OH 3.18Å; P959-Y1049 HydrophobicContact CG-CE2 4.44Å; P959-P1123 HydrophobicContact CB-CB 4.08Å; P959-P1123 HydrophobicContact CB-CG 4.45Å; P959-P1123 HydrophobicContact CG-CG 4.46Å
960	L	95.9	Very high	92.2	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-77	144	176.8	-72.9	175	0	0	0	110.9	F956 Y1049 V1165 P1199 W1201 F1202 L1233	F956-L960 HydrophobicContact CD1-CD1 4.24Å; F956-L960 HydrophobicContact CD1-CG 4.43Å; F956-L960 HydrophobicContact CE1-CD1 3.79Å; F956-L960 HydrophobicContact CE1-CG 4.45Å; F956-L960 HydrophobicContact CZ-CD1 3.95Å; L960-Y1049 VanDerWaalsContact O-CE1 3.3Å; L960-Y1049 WeakPolarHBondContact O-CE1 3.4Å; L960-Y1049 PolarHBondContact O-OH 3.02Å; L960-V1165 HydrophobicContact CB-CG2 4.45Å; L960-V1165 HydrophobicContact CD1-CG2 3.85Å; L960-P1199 HydrophobicContact CD2-CG 4.26Å; L960-W1201 HydrophobicContact CD2-CH2 4.06Å; L960-W1201 HydrophobicContact CD2-CZ2 3.63Å; L960-F1202 HydrophobicContact CD1-CD2 4.17Å; L960-F1202 HydrophobicContact CD1-CE2 3.88Å; L960-L1233 HydrophobicContact CD1-CD2 4.42Å
961	N	97.8	Very high	92.7	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	147.9	165.9	-59.7	-46.7	0	0	0	109.6	F1115 K1124 D1163 T1164 V1165	N961-F1115 HydrophobicContact CB-CE1 4.2Å; N961-K1124 CarbonylContact C-O 3.58Å; N961-K1124 VanDerWaalsContact CA-O 3.31Å; N961-K1124 WeakPolarHBondContact CA-O 3.47Å; N961-K1124 HydrophobicContact CB-CB 4.46Å; N961-K1124 PolarHBondContact OD1-N 2.91Å; N961-D1163 WeakPolarHBondContact CB-O 3.15Å; N961-D1163 PolarHBondContact N-O 3.32Å; N961-D1163 VanDerWaalsContact ND2-CG 3.33Å; N961-D1163 PolarHBondContact ND2-OD1 3.02Å; N961-T1164 HydrophobicContact CB-CG2 4.08Å; N961-T1164 WeakPolarHBondContact CB-OG1 3.43Å; N961-T1164 CarbonylContact O-C 3.6Å; N961-T1164 WeakPolarHBondContact O-CA 3.38Å; N961-V1165 PolarHBondContact O-N 2.87Å
962	I	98.4	Very high	93.1	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119	176.8	-61.7	165.3	0	0	0	107.2	M964 L1044 K1124 F1125 A1126 L1230 L1233	I962-M964 HydrophobicContact CG2-CG 4.24Å; I962-L1044 HydrophobicContact CD1-CD1 4.27Å; I962-L1044 HydrophobicContact CD1-CD2 4.38Å; I962-K1124 PolarHBondContact N-O 2.84Å; I962-F1125 HydrophobicContact CB-CD2 3.93Å; I962-F1125 HydrophobicContact CG2-CD2 3.83Å; I962-F1125 HydrophobicContact CG2-CE2 3.99Å; I962-F1125 WeakPolarHBondContact O-CA 3.46Å; I962-A1126 PolarHBondContact O-N 3.48Å; I962-L1230 HydrophobicContact CD1-CD2 4.25Å; I962-L1230 HydrophobicContact CG2-CD2 3.8Å; I962-L1233 HydrophobicContact CD1-CD1 3.98Å; I962-L1233 HydrophobicContact CG1-CD1 4.02Å
963	Y	98.7	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118	175	-178.5	-162.9	0	0	0	110.2	L965 V1111 A1126 Q1128 H1151 F1155 V1165 F1166 I1167	Y963-L965 HydrophobicContact CE2-CB 4.33Å; Y963-V1111 HydrophobicContact CD2-CG1 4.38Å; Y963-V1111 HydrophobicContact CE1-CG1 3.99Å; Y963-V1111 HydrophobicContact CE2-CG1 3.89Å; Y963-A1126 WeakPolarHBondContact CA-O 3.23Å; Y963-A1126 HydrophobicContact CD2-CB 3.72Å; Y963-A1126 HydrophobicContact CE2-CB 4.31Å; Y963-A1126 HydrophobicContact CG-CB 4.34Å; Y963-Q1128 HydrophobicContact CE2-CB 3.99Å; Y963-Q1128 PolarHBondContact OH-OE1 2.85Å; Y963-H1151 AromaticContact CE1-NE2 3.47Å; Y963-H1151 WeakPolarHBondContact CE1-NE2 3.27Å; Y963-H1151 AromaticContact CZ-NE2 3.56Å; Y963-H1151 PolarHBondContact OH-NE2 3.03Å; Y963-F1155 HydrophobicContact CD1-CD1 4.41Å; Y963-F1155 AromaticContact CD1-CE1 3.79Å; Y963-F1155 HydrophobicContact CD1-CE1 3.79Å; Y963-F1155 HydrophobicContact CD1-CE2 4.38Å; Y963-F1155 AromaticContact CD1-CZ 3.78Å; Y963-F1155 HydrophobicContact CD1-CZ 3.78Å; Y963-F1155 HydrophobicContact CE1-CD2 4.48Å; Y963-F1155 HydrophobicContact CE1-CE1 4.1Å; Y963-F1155 AromaticContact CE1-CE2 3.85Å; Y963-F1155 HydrophobicContact CE1-CE2 3.85Å; Y963-F1155 AromaticContact CE1-CZ 3.64Å; Y963-F1155 HydrophobicContact CE1-CZ 3.64Å; Y963-V1165 PolarHBondContact N-O 3.17Å; Y963-F1166 AromaticContact CD1-CD2 3.42Å; Y963-F1166 HydrophobicContact CD1-CD2 3.42Å; Y963-F1166 VanDerWaalsContact CD1-CD2 3.42Å; Y963-F1166 AromaticContact CD1-CE2 3.36Å; Y963-F1166 HydrophobicContact CD1-CE2 3.36Å; Y963-F1166 HydrophobicContact CE1-CD2 4.02Å; Y963-F1166 AromaticContact CE1-CE2 3.45Å; Y963-F1166 HydrophobicContact CE1-CE2 3.45Å; Y963-F1166 VanDerWaalsContact CE1-CE2 3.45Å; Y963-F1166 AromaticContact CG-CD2 3.94Å; Y963-F1166 HydrophobicContact CG-CD2 3.94Å; Y963-F1166 HydrophobicContact CG-CE2 4.07Å; Y963-F1166 CarbonylContact O-C 3.51Å; Y963-F1166 WeakPolarHBondContact O-CA 3.47Å; Y963-I1167 PolarHBondContact O-N 3.36Å
964	M	98.7	Very high	93.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.8	176.1	-53.6	-172.3	68.1	0	0	110	I962 I1012 A1126 F1127 Q1128 I1167 F1169 L1230	I962-M964 HydrophobicContact CG2-CG 4.24Å; M964-I1012 HydrophobicContact CE-CG2 3.71Å; M964-I1012 HydrophobicContact SD-CG2 4.39Å; M964-A1126 PolarHBondContact N-O 2.77Å; M964-F1127 HydrophobicContact CB-CD2 4.01Å; M964-F1127 HydrophobicContact SD-CD2 4.08Å; M964-F1127 HydrophobicContact SD-CE2 4.45Å; M964-Q1128 PolarHBondContact O-N 3.23Å; M964-I1167 CarbonylContact C-O 3.59Å; M964-I1167 WeakPolarHBondContact CA-O 3.43Å; M964-I1167 HydrophobicContact CE-CD1 4.26Å; M964-I1167 HydrophobicContact CE-CG2 4.38Å; M964-I1167 HydrophobicContact CG-CB 4.31Å; M964-I1167 HydrophobicContact CG-CD1 4.35Å; M964-F1169 HydrophobicContact CB-CD1 4.34Å; M964-F1169 HydrophobicContact CB-CE1 3.86Å; M964-F1169 HydrophobicContact CE-CD1 4.34Å; M964-F1169 HydrophobicContact CE-CE1 4.17Å; M964-L1230 HydrophobicContact SD-CD1 4.16Å
965	L	98.4	Very high	94.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.5	175.6	173	63	0	0	0	109.3	Y963 F967 Q1128 T1148 F1166 I1167 A1168 F1169	Y963-L965 HydrophobicContact CE2-CB 4.33Å; L965-F967 HydrophobicContact CD2-CE2 4.44Å; L965-F967 HydrophobicContact CG-CE2 4.19Å; L965-Q1128 HydrophobicContact CD1-CG 4.46Å; L965-T1148 HydrophobicContact CD2-CG2 3.94Å; L965-F1166 HydrophobicContact CB-CE2 4.37Å; L965-F1166 HydrophobicContact CB-CZ 3.89Å; L965-F1166 HydrophobicContact CD2-CZ 3.91Å; L965-I1167 PolarHBondContact N-O 3.44Å; L965-A1168 CarbonylContact O-C 3.54Å; L965-A1168 WeakPolarHBondContact O-CA 3.37Å; L965-F1169 WeakPolarHBondContact O-CD1 3.43Å; L965-F1169 PolarHBondContact O-N 3.22Å
966	G	97	Very high	94.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.3	-174.7	0	0	0	0	0	114.5	Q1128 F1129 H1130 F1169	G966-Q1128 PolarHBondContact N-O 3.47Å; G966-F1129 WeakPolarHBondContact O-CA 3.44Å; G966-H1130 PolarHBondContact O-N 2.92Å; G966-F1169 VanDerWaalsContact CA-CE1 3.43Å; G966-F1169 VanDerWaalsContact CA-O 3.28Å; G966-F1169 WeakPolarHBondContact CA-O 3.48Å
967	F	95.8	Very high	94.5	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.018	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.3	172.8	-62.7	-92.9	0	0	0	111.5	L965 V970 F975 L979 H1130 V1141 A1144 F1169 S1170	L965-F967 HydrophobicContact CD2-CE2 4.44Å; L965-F967 HydrophobicContact CG-CE2 4.19Å; F967-V970 HydrophobicContact CB-CB 4.45Å; F967-V970 HydrophobicContact CB-CG2 3.64Å; F967-V970 HydrophobicContact CG-CG2 4.43Å; F967-F975 HydrophobicContact CD2-CE2 4.42Å; F967-F975 HydrophobicContact CE2-CE2 4.41Å; F967-L979 HydrophobicContact CE2-CD2 4.32Å; F967-L979 HydrophobicContact CZ-CD2 4.16Å; F967-H1130 CarbonylContact C-O 3.57Å; F967-H1130 VanDerWaalsContact CA-O 3.28Å; F967-H1130 WeakPolarHBondContact CA-O 3.46Å; F967-H1130 HydrophobicContact CD1-CB 3.93Å; F967-H1130 HydrophobicContact CE1-CB 4.22Å; F967-V1141 HydrophobicContact CD1-CG2 4.31Å; F967-A1144 HydrophobicContact CE1-CB 4.04Å; F967-F1169 PolarHBondContact N-O 2.81Å; F967-S1170 WeakPolarHBondContact O-CA 3.38Å; F967-S1170 WeakPolarHBondContact O-CB 3.48Å
968	D	92.2	Very high	94.9	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.043	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	109.8	169.4	178.7	-3.3	0	0	0	110.4	T1005 F1129 H1130 S1134 H1135 D1171 H1172	D968-T1005 PolarHBondContact OD2-OG1 3.24Å; D968-F1129 HydrophobicContact CB-CE1 3.53Å; D968-F1129 HydrophobicContact CB-CZ 3.68Å; D968-H1130 PolarHBondContact N-O 3.48Å; D968-S1134 CarbonylContact O-C 3.55Å; D968-S1134 VanDerWaalsContact O-C 3.31Å; D968-S1134 VanDerWaalsContact O-CB 3.26Å; D968-S1134 WeakPolarHBondContact O-CB 3.42Å; D968-S1134 PolarHBondContact O-OG 2.93Å; D968-H1135 WeakPolarHBondContact O-CA 3.33Å; D968-H1135 PolarHBondContact O-N 2.82Å; D968-H1135 IonicContact OD1-CD2 2.74Å; D968-H1135 IonicContact OD2-CD2 3.6Å; D968-H1135 PolarHBondContact OD2-CD2 3.44Å; D968-D1171 WeakPolarHBondContact CA-OD1 3.39Å; D968-H1172 IonicContact OD1-CE1 3.79Å; D968-H1172 PolarHBondContact OD1-CE1 2.65Å
969	S	89.2	Confident	95.3	Very high	9 Å²	9	7.1 Å²	7.1	6%	0.063	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	cis	-134.6	130.1	-2.3	24.9	0	0	0	0	110.8	H1172 G1173	S969-H1172 CarbonylContact C-O 3.57Å; S969-H1172 WeakPolarHBondContact CA-O 3.24Å; S969-H1172 WeakPolarHBondContact CB-CE1 3.13Å; S969-H1172 WeakPolarHBondContact CB-ND1 3.31Å; S969-H1172 WeakPolarHBondContact CB-O 3.1Å; S969-H1172 PolarHBondContact OG-CE1 3.45Å; S969-H1172 PolarHBondContact OG-ND1 3.23Å; S969-G1173 WeakPolarHBondContact CB-O 3.13Å
970	V	93.6	Very high	95.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	6%	0.058	C	C	.	.			trans	-131	114.1	-171.1	-169.5	0	0	0	0	110.5	F967 T974 F975 L979 V1141 S1170 H1172 F1193	F967-V970 HydrophobicContact CB-CB 4.45Å; F967-V970 HydrophobicContact CB-CG2 3.64Å; F967-V970 HydrophobicContact CG-CG2 4.43Å; V970-T974 HydrophobicContact CG1-CG2 4.06Å; V970-F975 HydrophobicContact CG1-CB 3.8Å; V970-F975 HydrophobicContact CG1-CD2 4.08Å; V970-F975 HydrophobicContact CG1-CG 4.42Å; V970-L979 HydrophobicContact CG1-CD1 4.34Å; V970-V1141 HydrophobicContact CG2-CG2 4.02Å; V970-S1170 WeakPolarHBondContact O-CB 3.45Å; V970-S1170 PolarHBondContact O-OG 2.94Å; V970-H1172 CarbonylContact C-O 3.6Å; V970-H1172 PolarHBondContact N-O 3.14Å; V970-F1193 PolarHBondContact O-N 3.25Å
971	S	94.2	Very high	95.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-66	156.5	171.9	71	0	0	0	0	111.1	M973 T974 F975 E1188	S971-M973 PolarHBondContact O-N 3.48Å; S971-T974 PolarHBondContact O-N 2.86Å; S971-T974 VanDerWaalsContact O-N 3.08Å; S971-T974 VanDerWaalsContact OG-CB 3.26Å; S971-T974 WeakPolarHBondContact OG-CB 3.21Å; S971-T974 PolarHBondContact OG-N 2.92Å; S971-T974 PolarHBondContact OG-OG1 3.43Å; S971-F975 WeakPolarHBondContact O-CB 3.31Å; S971-F975 PolarHBondContact O-N 2.73Å; S971-E1188 WeakPolarHBondContact CB-O 3.39Å; S971-E1188 PolarHBondContact OG-OE2 3.12Å
972	R	95	Very high	95.5	Very high	14 Å²	14	16.7 Å²	16.7	5%	0.053	8%	0.077	C	C	.	.	H	α-helix	trans	-51.1	-43.1	172.8	179.9	179	171.8	-76.5	1.5	111.7	M976 E996 N1191 F1193	R972-M976 HydrophobicContact CG-SD 4.2Å; R972-M976 PolarHBondContact NH1-SD 3.44Å; R972-M976 VanDerWaalsContact NH1-SD 3.41Å; R972-M976 VanDerWaalsContact O-CG 3.25Å; R972-M976 WeakPolarHBondContact O-CG 3.11Å; R972-M976 PolarHBondContact O-N 3.2Å; R972-M976 VanDerWaalsContact O-N 3.1Å; R972-E996 IonicContact CZ-OE1 3.36Å; R972-E996 VanDerWaalsContact NH2-CD 3.31Å; R972-E996 IonicContact NH2-OE1 2.74Å; R972-E996 PolarHBondContact NH2-OE1 3.4Å; R972-E996 IonicContact NH2-OE2 3.95Å; R972-N1191 PolarHBondContact N-O 2.95Å; R972-F1193 HydrophobicContact CG-CD2 4.31Å
973	M	94.2	Very high	95.5	Very high	11 Å²	11	18.9 Å²	18.9	5%	0.054	9%	0.086	C	C	.	.	H	α-helix	trans	-72.2	-37.6	-179.8	-65.8	-56.5	178	0	0	112.8	Q841 I843 S971 M976 R977 E1188	Q841-M973 HydrophobicContact CB-CE 3.43Å; Q841-M973 VanDerWaalsContact CB-CE 3.43Å; Q841-M973 HydrophobicContact CB-CG 4.21Å; I843-M973 HydrophobicContact CB-SD 4.46Å; S971-M973 PolarHBondContact O-N 3.48Å; M973-M976 PolarHBondContact O-N 3.01Å; M973-M976 HydrophobicContact SD-SD 4.17Å; M973-R977 WeakPolarHBondContact O-CB 3.41Å; M973-R977 WeakPolarHBondContact O-CG 3.39Å; M973-R977 PolarHBondContact O-N 3.4Å; M973-E1188 HydrophobicContact CB-CG 4.14Å; M973-E1188 WeakPolarHBondContact CB-OE1 3.48Å; M973-E1188 HydrophobicContact CG-CG 4.29Å
974	T	93.2	Very high	95.5	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.031	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-40.4	174.6	-61.1	0	0	0	0	110.9	V970 S971 M976 R977 K978 F1138 E1188	V970-T974 HydrophobicContact CG1-CG2 4.06Å; S971-T974 PolarHBondContact O-N 2.86Å; S971-T974 VanDerWaalsContact O-N 3.08Å; S971-T974 VanDerWaalsContact OG-CB 3.26Å; S971-T974 WeakPolarHBondContact OG-CB 3.21Å; S971-T974 PolarHBondContact OG-N 2.92Å; S971-T974 PolarHBondContact OG-OG1 3.43Å; T974-M976 VanDerWaalsContact C-N 3.34Å; T974-M976 PolarHBondContact O-N 3.04Å; T974-R977 CarbonylContact O-C 3.6Å; T974-R977 PolarHBondContact O-N 3.19Å; T974-R977 VanDerWaalsContact O-N 3.07Å; T974-R977 PolarHBondContact OG1-NH2 3.21Å; T974-K978 HydrophobicContact CG2-CB 4.5Å; T974-K978 HydrophobicContact CG2-CG 4.19Å; T974-K978 WeakPolarHBondContact O-CB 3.5Å; T974-K978 PolarHBondContact O-N 2.93Å; T974-F1138 HydrophobicContact CG2-CD2 4Å; T974-E1188 PolarHBondContact OG1-OE2 3.34Å
975	F	96.3	Very high	95.4	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-57	-49.5	174.4	-162.2	-77.3	0	0	0	110.9	F967 V970 S971 R977 K978 L979 T982 Y983 I986 F1193	F967-F975 HydrophobicContact CD2-CE2 4.42Å; F967-F975 HydrophobicContact CE2-CE2 4.41Å; V970-F975 HydrophobicContact CG1-CB 3.8Å; V970-F975 HydrophobicContact CG1-CD2 4.08Å; V970-F975 HydrophobicContact CG1-CG 4.42Å; S971-F975 WeakPolarHBondContact O-CB 3.31Å; S971-F975 PolarHBondContact O-N 2.73Å; F975-R977 VanDerWaalsContact C-N 3.28Å; F975-R977 PolarHBondContact O-N 2.96Å; F975-K978 PolarHBondContact O-N 3.28Å; F975-L979 HydrophobicContact CD1-CB 4.21Å; F975-L979 HydrophobicContact CD2-CD1 4.13Å; F975-L979 HydrophobicContact CD2-CD2 4.36Å; F975-L979 HydrophobicContact CE1-CB 4.11Å; F975-L979 HydrophobicContact CE2-CD1 4.5Å; F975-L979 HydrophobicContact CE2-CD2 3.91Å; F975-L979 HydrophobicContact CG-CB 4.48Å; F975-L979 HydrophobicContact CG-CD1 4.32Å; F975-L979 HydrophobicContact CZ-CB 4.3Å; F975-L979 HydrophobicContact CZ-CD2 4.1Å; F975-L979 CarbonylContact O-C 3.6Å; F975-L979 WeakPolarHBondContact O-CA 3.38Å; F975-L979 PolarHBondContact O-N 2.76Å; F975-T982 HydrophobicContact CE1-CG2 4.18Å; F975-T982 HydrophobicContact CZ-CG2 3.89Å; F975-Y983 HydrophobicContact CD1-CD2 4.19Å; F975-Y983 HydrophobicContact CE1-CD2 4.48Å; F975-I986 HydrophobicContact CE1-CD1 4.32Å; F975-I986 HydrophobicContact CZ-CD1 4.18Å; F975-F1193 HydrophobicContact CB-CB 3.66Å; F975-F1193 HydrophobicContact CB-CD1 4.49Å; F975-F1193 HydrophobicContact CB-CD2 3.97Å; F975-F1193 HydrophobicContact CB-CG 3.78Å; F975-F1193 AromaticContact CD1-CD1 3.85Å; F975-F1193 HydrophobicContact CD1-CD1 3.85Å; F975-F1193 AromaticContact CD1-CD2 3.79Å; F975-F1193 HydrophobicContact CD1-CD2 3.79Å; F975-F1193 AromaticContact CD1-CE1 3.9Å; F975-F1193 HydrophobicContact CD1-CE1 3.9Å; F975-F1193 AromaticContact CD1-CE2 3.87Å; F975-F1193 HydrophobicContact CD1-CE2 3.87Å; F975-F1193 AromaticContact CD1-CG 3.79Å; F975-F1193 HydrophobicContact CD1-CG 3.79Å; F975-F1193 AromaticContact CD1-CZ 3.9Å; F975-F1193 HydrophobicContact CD1-CZ 3.9Å; F975-F1193 HydrophobicContact CD2-CB 3.74Å; F975-F1193 AromaticContact CD2-CD1 3.47Å; F975-F1193 HydrophobicContact CD2-CD1 3.47Å; F975-F1193 VanDerWaalsContact CD2-CD1 3.47Å; F975-F1193 HydrophobicContact CD2-CD2 4.41Å; F975-F1193 HydrophobicContact CD2-CE1 4.18Å; F975-F1193 AromaticContact CD2-CG 3.61Å; F975-F1193 HydrophobicContact CD2-CG 3.61Å; F975-F1193 AromaticContact CE1-CD1 3.86Å; F975-F1193 HydrophobicContact CE1-CD1 3.86Å; F975-F1193 HydrophobicContact CE1-CD2 4.41Å; F975-F1193 AromaticContact CE1-CE1 3.55Å; F975-F1193 HydrophobicContact CE1-CE1 3.55Å; F975-F1193 HydrophobicContact CE1-CE2 4.17Å; F975-F1193 HydrophobicContact CE1-CG 4.27Å; F975-F1193 AromaticContact CE1-CZ 3.72Å; F975-F1193 HydrophobicContact CE1-CZ 3.72Å; F975-F1193 AromaticContact CE2-CD1 3.47Å; F975-F1193 HydrophobicContact CE2-CD1 3.47Å; F975-F1193 VanDerWaalsContact CE2-CD1 3.47Å; F975-F1193 AromaticContact CE2-CE1 3.84Å; F975-F1193 HydrophobicContact CE2-CE1 3.84Å; F975-F1193 HydrophobicContact CE2-CG 4.11Å; F975-F1193 HydrophobicContact CG-CB 3.74Å; F975-F1193 AromaticContact CG-CD1 3.67Å; F975-F1193 HydrophobicContact CG-CD1 3.67Å; F975-F1193 AromaticContact CG-CD2 3.8Å; F975-F1193 HydrophobicContact CG-CD2 3.8Å; F975-F1193 HydrophobicContact CG-CE1 4.2Å; F975-F1193 HydrophobicContact CG-CE2 4.34Å; F975-F1193 AromaticContact CG-CG 3.43Å; F975-F1193 HydrophobicContact CG-CG 3.43Å; F975-F1193 VanDerWaalsContact CG-CG 3.43Å; F975-F1193 AromaticContact CZ-CD1 3.68Å; F975-F1193 HydrophobicContact CZ-CD1 3.68Å; F975-F1193 AromaticContact CZ-CE1 3.52Å; F975-F1193 HydrophobicContact CZ-CE1 3.52Å; F975-F1193 HydrophobicContact CZ-CG 4.42Å; F975-F1193 HydrophobicContact CZ-CZ 4.18Å
976	M	95.7	Very high	95.4	Very high	37 Å²	37	24.5 Å²	24.5	18%	0.182	11%	0.11	C	C	.	.	H	α-helix	trans	-63.8	-29.7	176.3	-67.5	172.4	71.3	0	0	113.5	I843 R972 M973 T974 Y983	I843-M976 HydrophobicContact CD1-CB 4.03Å; I843-M976 HydrophobicContact CD1-CE 4.25Å; R972-M976 HydrophobicContact CG-SD 4.2Å; R972-M976 PolarHBondContact NH1-SD 3.44Å; R972-M976 VanDerWaalsContact NH1-SD 3.41Å; R972-M976 VanDerWaalsContact O-CG 3.25Å; R972-M976 WeakPolarHBondContact O-CG 3.11Å; R972-M976 PolarHBondContact O-N 3.2Å; R972-M976 VanDerWaalsContact O-N 3.1Å; M973-M976 PolarHBondContact O-N 3.01Å; M973-M976 HydrophobicContact SD-SD 4.17Å; T974-M976 VanDerWaalsContact C-N 3.34Å; T974-M976 PolarHBondContact O-N 3.04Å; M976-Y983 HydrophobicContact CE-CE1 4.1Å; M976-Y983 HydrophobicContact CG-CD1 4.31Å; M976-Y983 HydrophobicContact CG-CD2 3.81Å; M976-Y983 HydrophobicContact CG-CE1 4.2Å; M976-Y983 HydrophobicContact CG-CE2 3.67Å; M976-Y983 HydrophobicContact CG-CG 4.13Å; M976-Y983 HydrophobicContact SD-CE2 4.28Å
977	R	94	Very high	95.4	Very high	15 Å²	15	26.1 Å²	26.1	6%	0.057	12%	0.12	C	C	.	.	H	α-helix	trans	-82.5	-35.6	179.1	-78.6	-173.5	-64.1	-100.7	-3.2	113.8	I843 M973 T974 F975 K980 E1188	I843-R977 HydrophobicContact CD1-CG 4.46Å; I843-R977 HydrophobicContact CG1-CG 3.8Å; I843-R977 WeakPolarHBondContact O-CD 3.46Å; I843-R977 PolarHBondContact O-NH1 3Å; M973-R977 WeakPolarHBondContact O-CB 3.41Å; M973-R977 WeakPolarHBondContact O-CG 3.39Å; M973-R977 PolarHBondContact O-N 3.4Å; T974-R977 CarbonylContact O-C 3.6Å; T974-R977 PolarHBondContact O-N 3.19Å; T974-R977 VanDerWaalsContact O-N 3.07Å; T974-R977 PolarHBondContact OG1-NH2 3.21Å; F975-R977 VanDerWaalsContact C-N 3.28Å; F975-R977 PolarHBondContact O-N 2.96Å; R977-K980 WeakPolarHBondContact O-CE 3.46Å; R977-K980 WeakPolarHBondContact O-CG 3.42Å; R977-E1188 IonicContact CZ-OE1 3.76Å; R977-E1188 IonicContact CZ-OE2 3.01Å; R977-E1188 IonicContact NH1-OE1 3.21Å; R977-E1188 PolarHBondContact NH1-OE1 2.65Å; R977-E1188 IonicContact NH1-OE2 3.09Å; R977-E1188 VanDerWaalsContact NH2-CD 3.29Å; R977-E1188 IonicContact NH2-OE1 3.94Å; R977-E1188 PolarHBondContact NH2-OE1 3.39Å; R977-E1188 VanDerWaalsContact NH2-OE1 3.1Å; R977-E1188 IonicContact NH2-OE2 3.95Å; R977-E1188 PolarHBondContact NH2-OE2 2.89Å
978	K	94.5	Very high	95.4	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.052	15%	0.152	C	C	.	.	H	α-helix	trans	-114.4	-24.8	-167.7	-70.6	-58.9	-150.9	165.2	0	114.4	T853 T974 F975 N1139 V1141 E1142	T853-K978 PolarHBondContact O-NZ 3.12Å; T974-K978 HydrophobicContact CG2-CB 4.5Å; T974-K978 HydrophobicContact CG2-CG 4.19Å; T974-K978 WeakPolarHBondContact O-CB 3.5Å; T974-K978 PolarHBondContact O-N 2.93Å; F975-K978 PolarHBondContact O-N 3.28Å; K978-N1139 WeakPolarHBondContact CE-OD1 3.35Å; K978-N1139 PolarHBondContact NZ-OD1 3.07Å; K978-V1141 HydrophobicContact CB-CG1 3.56Å; K978-V1141 HydrophobicContact CG-CG1 4.16Å; K978-E1142 HydrophobicContact CD-CB 4.27Å; K978-E1142 IonicContact NZ-OE2 2.66Å; K978-E1142 PolarHBondContact NZ-OE2 3.38Å
979	L	96.3	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-111.4	57.8	172.8	-61.2	89.5	0	0	0	109.1	F967 V970 F975 Y983 V1141 D1145	F967-L979 HydrophobicContact CE2-CD2 4.32Å; F967-L979 HydrophobicContact CZ-CD2 4.16Å; V970-L979 HydrophobicContact CG1-CD1 4.34Å; F975-L979 HydrophobicContact CD1-CB 4.21Å; F975-L979 HydrophobicContact CD2-CD1 4.13Å; F975-L979 HydrophobicContact CD2-CD2 4.36Å; F975-L979 HydrophobicContact CE1-CB 4.11Å; F975-L979 HydrophobicContact CE2-CD1 4.5Å; F975-L979 HydrophobicContact CE2-CD2 3.91Å; F975-L979 HydrophobicContact CG-CB 4.48Å; F975-L979 HydrophobicContact CG-CD1 4.32Å; F975-L979 HydrophobicContact CZ-CB 4.3Å; F975-L979 HydrophobicContact CZ-CD2 4.1Å; F975-L979 CarbonylContact O-C 3.6Å; F975-L979 WeakPolarHBondContact O-CA 3.38Å; F975-L979 PolarHBondContact O-N 2.76Å; L979-Y983 VanDerWaalsContact O-CB 3.28Å; L979-Y983 WeakPolarHBondContact O-CB 3.31Å; L979-Y983 PolarHBondContact O-N 3.02Å; L979-V1141 HydrophobicContact CD1-CB 4.38Å; L979-V1141 HydrophobicContact CD1-CG1 3.75Å; L979-V1141 HydrophobicContact CD1-CG2 3.77Å; L979-V1141 HydrophobicContact CG-CG2 4.46Å; L979-D1145 VanDerWaalsContact CA-CG 3.42Å; L979-D1145 VanDerWaalsContact CA-OD1 3.28Å; L979-D1145 WeakPolarHBondContact CA-OD1 3.5Å
980	K	95.5	Very high	95.9	Very high	130 Å²	130	37.8 Å²	37.8	57%	0.565	18%	0.177	S	C	*	.	H	α-helix	trans	-67.3	-46.6	-168.4	-66.7	-178.5	-173.4	176	0	111.3	R977 Y983 K984 D1145	R977-K980 WeakPolarHBondContact O-CE 3.46Å; R977-K980 WeakPolarHBondContact O-CG 3.42Å; K980-Y983 PolarHBondContact O-N 3.5Å; K980-K984 VanDerWaalsContact O-CB 3.3Å; K980-K984 WeakPolarHBondContact O-CB 3.39Å; K980-K984 PolarHBondContact O-N 2.8Å; K980-D1145 PolarHBondContact N-OD2 2.79Å
981	E	97.6	Very high	96	Very high	97 Å²	97	43.8 Å²	43.8	45%	0.453	21%	0.21	S	C	.	.	H	α-helix	trans	-72.7	-35.9	-178.9	-65.8	-52	123.3	0	0	110.6	K984 H985 D1145 V1149	E981-K984 PolarHBondContact O-N 2.83Å; E981-K984 IonicContact OE1-NZ 2.83Å; E981-K984 IonicContact OE2-NZ 3.78Å; E981-K984 PolarHBondContact OE2-NZ 3.43Å; E981-H985 VanDerWaalsContact O-CB 3.29Å; E981-H985 WeakPolarHBondContact O-CB 3.35Å; E981-H985 PolarHBondContact O-N 3.33Å; E981-D1145 PolarHBondContact N-OD1 3.47Å; E981-D1145 PolarHBondContact N-OD2 2.86Å; E981-V1149 HydrophobicContact CB-CG2 3.96Å
982	T	98.1	Very high	96.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-51.1	171.5	-56.1	0	0	0	0	111.2	F975 K984 H985 I986 D1145 T1148 L1152	F975-T982 HydrophobicContact CE1-CG2 4.18Å; F975-T982 HydrophobicContact CZ-CG2 3.89Å; T982-K984 VanDerWaalsContact C-N 3.33Å; T982-K984 PolarHBondContact O-N 2.68Å; T982-H985 PolarHBondContact O-N 2.6Å; T982-I986 HydrophobicContact CG2-CD1 3.84Å; T982-I986 HydrophobicContact CG2-CG1 4.42Å; T982-I986 WeakPolarHBondContact O-CG1 3.3Å; T982-I986 PolarHBondContact O-N 3.35Å; T982-D1145 VanDerWaalsContact CB-OD1 3.28Å; T982-D1145 WeakPolarHBondContact CB-OD1 3.3Å; T982-D1145 PolarHBondContact N-OD1 3.1Å; T982-D1145 PolarHBondContact OG1-O 3.27Å; T982-D1145 PolarHBondContact OG1-OD1 3.47Å; T982-T1148 HydrophobicContact CG2-CG2 3.68Å; T982-L1152 HydrophobicContact CG2-CD1 4.17Å
983	Y	98.1	Very high	96.2	Very high	47 Å²	47	44.2 Å²	44.2	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-59.4	-43.9	178.9	178.8	-98.6	0	0	0	111.8	F975 M976 L979 K980 T987 V994 F1193	F975-Y983 HydrophobicContact CD1-CD2 4.19Å; F975-Y983 HydrophobicContact CE1-CD2 4.48Å; M976-Y983 HydrophobicContact CE-CE1 4.1Å; M976-Y983 HydrophobicContact CG-CD1 4.31Å; M976-Y983 HydrophobicContact CG-CD2 3.81Å; M976-Y983 HydrophobicContact CG-CE1 4.2Å; M976-Y983 HydrophobicContact CG-CE2 3.67Å; M976-Y983 HydrophobicContact CG-CG 4.13Å; M976-Y983 HydrophobicContact SD-CE2 4.28Å; L979-Y983 VanDerWaalsContact O-CB 3.28Å; L979-Y983 WeakPolarHBondContact O-CB 3.31Å; L979-Y983 PolarHBondContact O-N 3.02Å; K980-Y983 PolarHBondContact O-N 3.5Å; Y983-T987 HydrophobicContact CD2-CG2 4.28Å; Y983-T987 HydrophobicContact CE1-CG2 4.15Å; Y983-T987 HydrophobicContact CE2-CG2 3.87Å; Y983-T987 WeakPolarHBondContact O-CB 3.5Å; Y983-T987 WeakPolarHBondContact O-CG2 3.4Å; Y983-T987 PolarHBondContact O-N 3.46Å; Y983-T987 PolarHBondContact O-OG1 3.2Å; Y983-V994 HydrophobicContact CE2-CG2 4.12Å; Y983-F1193 AromaticContact CD2-CE2 3.61Å; Y983-F1193 HydrophobicContact CD2-CE2 3.61Å; Y983-F1193 HydrophobicContact CD2-CZ 4.05Å; Y983-F1193 AromaticContact CE2-CE2 3.73Å; Y983-F1193 HydrophobicContact CE2-CE2 3.73Å; Y983-F1193 HydrophobicContact CE2-CZ 4.43Å
984	K	97.4	Very high	96.4	Very high	95 Å²	95	44.3 Å²	44.3	41%	0.413	22%	0.217	S	C	.	.	H	α-helix	trans	-62.9	-42.1	175.9	177.8	-176.3	161.8	-160.1	0	111.7	K980 E981 T982 K988	K980-K984 VanDerWaalsContact O-CB 3.3Å; K980-K984 WeakPolarHBondContact O-CB 3.39Å; K980-K984 PolarHBondContact O-N 2.8Å; E981-K984 PolarHBondContact O-N 2.83Å; E981-K984 IonicContact OE1-NZ 2.83Å; E981-K984 IonicContact OE2-NZ 3.78Å; E981-K984 PolarHBondContact OE2-NZ 3.43Å; T982-K984 VanDerWaalsContact C-N 3.33Å; T982-K984 PolarHBondContact O-N 2.68Å; K984-K988 HydrophobicContact CG-CD 4.06Å; K984-K988 HydrophobicContact CG-CG 4.47Å; K984-K988 VanDerWaalsContact O-CB 3.26Å; K984-K988 WeakPolarHBondContact O-CB 3.3Å; K984-K988 PolarHBondContact O-N 3.43Å
985	H	98	Very high	96.6	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.111	22%	0.216	C	C	.	.	I	π-helix	trans	-64.6	-48.8	177.6	-166.7	82.5	0	0	0	111.2	E981 T982 T987 V989 L990	E981-H985 VanDerWaalsContact O-CB 3.29Å; E981-H985 WeakPolarHBondContact O-CB 3.35Å; E981-H985 PolarHBondContact O-N 3.33Å; T982-H985 PolarHBondContact O-N 2.6Å; H985-T987 PolarHBondContact O-N 3.25Å; H985-V989 WeakPolarHBondContact O-CA 3.38Å; H985-V989 VanDerWaalsContact O-CB 3.27Å; H985-V989 WeakPolarHBondContact O-CB 3.3Å; H985-V989 PolarHBondContact O-N 2.68Å; H985-L990 PolarHBondContact O-N 2.79Å
986	I	98	Very high	96.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.226	C	C	.	.	I	π-helix	trans	-55.5	-50.3	176.3	-70.2	171.9	0	0	0	111	F975 T982 L990 N991 G992 L1152 A1168 F1193 S1195 I1197	F975-I986 HydrophobicContact CE1-CD1 4.32Å; F975-I986 HydrophobicContact CZ-CD1 4.18Å; T982-I986 HydrophobicContact CG2-CD1 3.84Å; T982-I986 HydrophobicContact CG2-CG1 4.42Å; T982-I986 WeakPolarHBondContact O-CG1 3.3Å; T982-I986 PolarHBondContact O-N 3.35Å; I986-L990 CarbonylContact O-C 3.45Å; I986-N991 PolarHBondContact O-N 3.05Å; I986-G992 PolarHBondContact O-N 3.19Å; I986-L1152 HydrophobicContact CD1-CD1 4.43Å; I986-L1152 HydrophobicContact CG1-CD1 3.91Å; I986-A1168 HydrophobicContact CD1-CB 3.93Å; I986-F1193 HydrophobicContact CD1-CE1 4.27Å; I986-F1193 HydrophobicContact CD1-CZ 4.41Å; I986-S1195 WeakPolarHBondContact CG2-OG 3.42Å; I986-I1197 HydrophobicContact CG1-CD1 4.24Å; I986-I1197 HydrophobicContact CG2-CD1 4.11Å; I986-I1197 HydrophobicContact CG2-CG1 4.37Å
987	T	96.8	Very high	96.3	Very high	35 Å²	35	45.5 Å²	45.5	22%	0.215	22%	0.222	C	C	.	.	I	π-helix	trans	-81.6	-38.7	-171.1	53.8	0	0	0	0	114	Y983 H985 V994	Y983-T987 HydrophobicContact CD2-CG2 4.28Å; Y983-T987 HydrophobicContact CE1-CG2 4.15Å; Y983-T987 HydrophobicContact CE2-CG2 3.87Å; Y983-T987 WeakPolarHBondContact O-CB 3.5Å; Y983-T987 WeakPolarHBondContact O-CG2 3.4Å; Y983-T987 PolarHBondContact O-N 3.46Å; Y983-T987 PolarHBondContact O-OG1 3.2Å; H985-T987 PolarHBondContact O-N 3.25Å; T987-V994 HydrophobicContact CG2-CG2 3.81Å
988	K	96	Very high	96.4	Very high	158 Å²	158	44.9 Å²	44.9	69%	0.687	22%	0.22	S	C	*	.	I	π-helix	trans	-99.6	-29.6	-173	-57.1	-168.3	-179.2	-176.4	0	114.3	K984	K984-K988 HydrophobicContact CG-CD 4.06Å; K984-K988 HydrophobicContact CG-CG 4.47Å; K984-K988 VanDerWaalsContact O-CB 3.26Å; K984-K988 WeakPolarHBondContact O-CB 3.3Å; K984-K988 PolarHBondContact O-N 3.43Å
989	V	95.8	Very high	96.4	Very high	84 Å²	84	44.4 Å²	44.4	51%	0.509	22%	0.218	S	C	.	.	I	π-helix	trans	-97.5	-48.4	-177.7	-175.9	0	0	0	0	110	H985	H985-V989 WeakPolarHBondContact O-CA 3.38Å; H985-V989 VanDerWaalsContact O-CB 3.27Å; H985-V989 WeakPolarHBondContact O-CB 3.3Å; H985-V989 PolarHBondContact O-N 2.68Å
990	L	96.2	Very high	96.2	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.12	22%	0.219	C	C	.	.	S	Bend	trans	-92.9	-3	-176.7	-57.5	179.9	0	0	0	113.8	H985 I986 G992 L1152 L1161 I1197	H985-L990 PolarHBondContact O-N 2.79Å; I986-L990 CarbonylContact O-C 3.45Å; L990-G992 PolarHBondContact O-N 3.24Å; L990-L1152 HydrophobicContact CD1-CB 4.43Å; L990-L1152 HydrophobicContact CD1-CD2 4.34Å; L990-L1161 HydrophobicContact CD1-CD1 4.1Å; L990-L1161 HydrophobicContact CD2-CD1 3.74Å; L990-I1197 HydrophobicContact CB-CD1 4.01Å; L990-I1197 HydrophobicContact CB-CG2 3.99Å; L990-I1197 HydrophobicContact CD1-CD1 3.72Å
991	N	94.8	Very high	95.9	Very high	128 Å²	128	39.4 Å²	39.4	68%	0.684	20%	0.197	S	C	*	.			trans	52.2	37.2	-178.8	-67.4	-31.2	0	0	0	114	I986	I986-N991 PolarHBondContact O-N 3.05Å
992	G	96.6	Very high	95.1	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.3	136.7	177.8	0	0	0	0	0	112.7	I986 L990 I1196	I986-G992 PolarHBondContact O-N 3.19Å; L990-G992 PolarHBondContact O-N 3.24Å; G992-I1196 CarbonylContact C-O 3.44Å; G992-I1196 WeakPolarHBondContact CA-O 3.44Å
993	T	98.1	Very high	94.2	Very high	14 Å²	14	37.5 Å²	37.5	9%	0.086	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	121.7	172.9	-52.8	0	0	0	0	109.2	S1195 I1196 L1213 M1214	T993-S1195 CarbonylContact O-C 3.58Å; T993-S1195 WeakPolarHBondContact O-CA 3.39Å; T993-S1195 PolarHBondContact O-OG 2.66Å; T993-I1196 PolarHBondContact N-O 3.31Å; T993-I1196 PolarHBondContact O-N 2.97Å; T993-L1213 HydrophobicContact CG2-CD1 4.33Å; T993-L1213 HydrophobicContact CG2-CG 4.05Å; T993-M1214 HydrophobicContact CG2-SD 3.9Å; T993-M1214 PolarHBondContact OG1-SD 3.45Å
994	V	97.9	Very high	93.4	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.085	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.3	175.2	-178.8	0	0	0	0	109.3	Y983 T987 E996 F1193 V1194 G1217	Y983-V994 HydrophobicContact CE2-CG2 4.12Å; T987-V994 HydrophobicContact CG2-CG2 3.81Å; V994-E996 HydrophobicContact CB-CG 4.44Å; V994-E996 HydrophobicContact CG1-CG 4.21Å; V994-E996 PolarHBondContact O-N 2.72Å; V994-F1193 HydrophobicContact CG1-CE2 4.08Å; V994-F1193 HydrophobicContact CG2-CE2 4.21Å; V994-F1193 HydrophobicContact CG2-CZ 4.47Å; V994-V1194 WeakPolarHBondContact CA-O 3.36Å; V994-G1217 WeakPolarHBondContact O-CA 3.25Å
995	L	97.2	Very high	93.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.169	C	C	.	.			trans	-85	90	173.3	-55.3	-175.3	0	0	0	109.3	M997 Y998 V1194 L1213 L1226 L1251	L995-M997 VanDerWaalsContact C-N 3.25Å; L995-M997 PolarHBondContact O-N 2.72Å; L995-Y998 HydrophobicContact CB-CD2 4.43Å; L995-Y998 HydrophobicContact CD1-CD2 3.86Å; L995-Y998 HydrophobicContact CD1-CE2 4.45Å; L995-Y998 WeakPolarHBondContact O-CB 3.39Å; L995-Y998 PolarHBondContact O-N 3.5Å; L995-V1194 HydrophobicContact CB-CB 4.26Å; L995-V1194 HydrophobicContact CD1-CB 4.23Å; L995-V1194 HydrophobicContact CD1-CG1 3.76Å; L995-V1194 HydrophobicContact CG-CB 4.41Å; L995-V1194 HydrophobicContact CG-CG1 4.23Å; L995-V1194 PolarHBondContact N-O 3.41Å; L995-L1213 HydrophobicContact CD2-CD1 4.38Å; L995-L1226 HydrophobicContact CD1-CD2 4.42Å; L995-L1251 HydrophobicContact CD1-CD1 3.66Å; L995-L1251 HydrophobicContact CD1-CD2 4.31Å; L995-L1251 HydrophobicContact CD2-CD1 4.35Å; L995-L1251 HydrophobicContact CD2-CD2 4.35Å
996	E	92.9	Very high	92.7	Very high	47 Å²	47	30.9 Å²	30.9	22%	0.22	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.5	-169.1	-52.1	-151.5	142.1	0	0	114.6	R838 R972 V994 G1217	R838-E996 IonicContact CZ-OE2 3.78Å; R838-E996 IonicContact NH1-OE2 3.9Å; R838-E996 PolarHBondContact NH1-OE2 2.9Å; R838-E996 IonicContact NH2-OE2 2.83Å; R838-E996 PolarHBondContact NH2-OE2 2.88Å; R972-E996 IonicContact CZ-OE1 3.36Å; R972-E996 VanDerWaalsContact NH2-CD 3.31Å; R972-E996 IonicContact NH2-OE1 2.74Å; R972-E996 PolarHBondContact NH2-OE1 3.4Å; R972-E996 IonicContact NH2-OE2 3.95Å; V994-E996 HydrophobicContact CB-CG 4.44Å; V994-E996 HydrophobicContact CG1-CG 4.21Å; V994-E996 PolarHBondContact O-N 2.72Å; E996-G1217 WeakPolarHBondContact CB-O 3.44Å; E996-G1217 PolarHBondContact N-O 3.4Å
997	M	91.8	Very high	92.3	Very high	19 Å²	19	32.1 Å²	32.1	9%	0.094	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	23.3	178.8	-72	-175	68.1	0	0	111.9	C836 R838 L995 N1218 R1219 T1221	C836-M997 HydrophobicContact CB-CE 4.01Å; C836-M997 WeakPolarHBondContact SG-CE 3.41Å; R838-M997 HydrophobicContact CB-CE 4Å; R838-M997 HydrophobicContact CB-CG 3.98Å; R838-M997 HydrophobicContact CB-SD 3.78Å; R838-M997 HydrophobicContact CG-CG 3.86Å; R838-M997 HydrophobicContact CG-SD 4.33Å; L995-M997 VanDerWaalsContact C-N 3.25Å; L995-M997 PolarHBondContact O-N 2.72Å; M997-N1218 VanDerWaalsContact SD-C 3.59Å; M997-R1219 VanDerWaalsContact CB-O 3.23Å; M997-R1219 WeakPolarHBondContact CB-O 3.43Å; M997-T1221 PolarHBondContact O-N 3.36Å
998	Y	96.5	Very high	92.1	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.012	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-64.9	133.3	174.1	-168.4	-91.3	0	0	0	110.9	L995 N1191 P1192 V1194 T1221 T1222 P1223 L1226	L995-Y998 HydrophobicContact CB-CD2 4.43Å; L995-Y998 HydrophobicContact CD1-CD2 3.86Å; L995-Y998 HydrophobicContact CD1-CE2 4.45Å; L995-Y998 WeakPolarHBondContact O-CB 3.39Å; L995-Y998 PolarHBondContact O-N 3.5Å; Y998-N1191 PolarHBondContact O-ND2 3.41Å; Y998-N1191 VanDerWaalsContact O-ND2 3.12Å; Y998-P1192 HydrophobicContact CD1-CG 3.72Å; Y998-P1192 HydrophobicContact CE1-CG 3.89Å; Y998-V1194 HydrophobicContact CD1-CG2 3.52Å; Y998-V1194 HydrophobicContact CD2-CB 4.33Å; Y998-V1194 HydrophobicContact CD2-CG2 3.87Å; Y998-V1194 HydrophobicContact CE1-CG2 3.64Å; Y998-V1194 HydrophobicContact CE2-CG2 3.99Å; Y998-V1194 HydrophobicContact CG-CB 4.27Å; Y998-V1194 HydrophobicContact CG-CG2 3.61Å; Y998-T1221 CarbonylContact C-O 3.55Å; Y998-T1221 WeakPolarHBondContact CA-O 3.45Å; Y998-T1221 WeakPolarHBondContact CA-OG1 3.35Å; Y998-T1222 VanDerWaalsContact CE2-C 3.4Å; Y998-T1222 WeakPolarHBondContact CE2-O 3.29Å; Y998-P1223 HydrophobicContact CE1-CG 4.44Å; Y998-P1223 VanDerWaalsContact OH-CA 3.25Å; Y998-P1223 WeakPolarHBondContact OH-CA 3.48Å; Y998-P1223 WeakPolarHBondContact OH-CD 3.29Å; Y998-P1223 VanDerWaalsContact OH-CG 3.31Å; Y998-P1223 WeakPolarHBondContact OH-CG 3.35Å; Y998-L1226 HydrophobicContact CE2-CD1 3.82Å; Y998-L1226 HydrophobicContact CE2-CG 4Å; Y998-L1226 VanDerWaalsContact OH-CD1 3.28Å; Y998-L1226 WeakPolarHBondContact OH-CD1 3.18Å
999	N	94.6	Very high	92.2	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	14%	0.138	C	C	.	.			trans	-130.5	134	-172.5	-161.1	108	0	0	0	111	R1190 L1220 T1221 P1223 I1266 W1270 S1272	N999-R1190 WeakPolarHBondContact CA-O 3.41Å; N999-L1220 HydrophobicContact CB-CD1 3.8Å; N999-T1221 PolarHBondContact N-O 3.48Å; N999-P1223 WeakPolarHBondContact O-CD 3.5Å; N999-I1266 HydrophobicContact CB-CD1 4Å; N999-W1270 PolarHBondContact ND2-O 2.95Å; N999-S1272 WeakPolarHBondContact OD1-CB 3.45Å; N999-S1272 PolarHBondContact OD1-N 3.21Å; N999-S1272 PolarHBondContact OD1-OG 2.66Å
1000	I	92	Very high	92.2	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.026	11%	0.114	C	C	.	.			trans	-66.5	157.4	173	68.6	178	0	0	0	111.8	D1171 H1172 E1189 R1190 P1192 W1270	I1000-D1171 WeakPolarHBondContact CG2-O 3.4Å; I1000-H1172 HydrophobicContact CG2-CB 4.07Å; I1000-E1189 HydrophobicContact CD1-CG 4.45Å; I1000-R1190 HydrophobicContact CD1-CB 4.31Å; I1000-R1190 HydrophobicContact CD1-CG 4.1Å; I1000-R1190 HydrophobicContact CG1-CB 4.2Å; I1000-R1190 HydrophobicContact CG1-CG 4.32Å; I1000-R1190 PolarHBondContact N-O 2.77Å; I1000-R1190 VanDerWaalsContact N-O 3.13Å; I1000-P1192 HydrophobicContact CG2-CG 3.89Å; I1000-W1270 HydrophobicContact CD1-CE3 3.65Å; I1000-W1270 HydrophobicContact CD1-CZ3 3.99Å; I1000-W1270 HydrophobicContact CG1-CE3 4.18Å
1001	V	88.7	Confident	92.2	Very high	19 Å²	19	18.2 Å²	18.2	12%	0.115	11%	0.108	C	C	.	.			trans	-112.9	-7.2	-179.8	-64.9	0	0	0	0	113.5	A1007 P1011 T1222 P1223 F1224 I1266	V1001-A1007 VanDerWaalsContact CG2-O 3.24Å; V1001-A1007 WeakPolarHBondContact CG2-O 3.11Å; V1001-P1011 HydrophobicContact CG2-CB 4.47Å; V1001-P1011 HydrophobicContact CG2-CG 3.92Å; V1001-T1222 HydrophobicContact CG1-CG2 4.24Å; V1001-P1223 HydrophobicContact CG2-CB 4.45Å; V1001-P1223 HydrophobicContact CG2-CG 4.14Å; V1001-F1224 HydrophobicContact CB-CE2 4.21Å; V1001-F1224 HydrophobicContact CG1-CD2 4.1Å; V1001-F1224 HydrophobicContact CG1-CE2 3.84Å; V1001-F1224 HydrophobicContact CG2-CE2 4.19Å; V1001-I1266 HydrophobicContact CG1-CG1 4.2Å
1002	G	82.3	Confident	92.4	Very high	11 Å²	11	12.1 Å²	12.1	11%	0.113	8%	0.076	C	C	.	.	S	Bend	trans	-169.9	-176.3	-179.7	0	0	0	0	0	113.2	A1007	G1002-A1007 VanDerWaalsContact C-CB 3.49Å
1003	D	78.5	Confident	92.5	Very high	47 Å²	47	11.7 Å²	11.7	25%	0.251	7%	0.071	S	C	.	.	S	Bend	trans	-85.2	124.8	-176.7	-166.3	22.2	0	0	0	112.3	R1175 W1270	D1003-R1175 IonicContact OD1-CZ 3.11Å; D1003-R1175 IonicContact OD1-NE 3.7Å; D1003-R1175 PolarHBondContact OD1-NE 2.7Å; D1003-R1175 IonicContact OD1-NH2 2.7Å; D1003-R1175 PolarHBondContact OD1-NH2 3.17Å; D1003-R1175 IonicContact OD2-CZ 3.42Å; D1003-R1175 IonicContact OD2-NE 3.27Å; D1003-R1175 IonicContact OD2-NH2 2.79Å; D1003-R1175 PolarHBondContact OD2-NH2 3.2Å; D1003-W1270 HydrophobicContact CB-CH2 3.48Å; D1003-W1270 VanDerWaalsContact CB-CH2 3.48Å; D1003-W1270 HydrophobicContact CB-CZ2 3.53Å
1004	G	82.3	Confident	92.4	Very high	3 Å²	3	11.4 Å²	11.4	3%	0.031	7%	0.069	C	C	.	.	S	Bend	trans	81.5	173.9	171.7	0	0	0	0	0	116.1	A1007 A1008 H1172 R1175	G1004-A1007 PolarHBondContact O-N 2.81Å; G1004-A1007 VanDerWaalsContact O-N 3.14Å; G1004-A1008 PolarHBondContact O-N 3.24Å; G1004-H1172 VanDerWaalsContact CA-CD2 3.46Å; G1004-H1172 WeakPolarHBondContact CA-CD2 3.41Å; G1004-H1172 VanDerWaalsContact CA-NE2 3.29Å; G1004-H1172 WeakPolarHBondContact CA-NE2 3.38Å; G1004-R1175 VanDerWaalsContact CA-CZ 3.42Å; G1004-R1175 VanDerWaalsContact CA-NH1 3.28Å
1005	T	90.3	Very high	92.4	Very high	11 Å²	11	11.4 Å²	11.4	7%	0.067	7%	0.072	C	C	.	.	H	α-helix	trans	-55.4	-44.4	-176.1	-40.4	0	0	0	0	114.4	D968 A1007 A1008 L1009 T1062 F1129 D1171 H1172	D968-T1005 PolarHBondContact OD2-OG1 3.24Å; T1005-A1007 VanDerWaalsContact C-N 3.25Å; T1005-A1007 PolarHBondContact O-N 2.88Å; T1005-A1008 PolarHBondContact O-N 3.2Å; T1005-L1009 HydrophobicContact CG2-CD1 3.62Å; T1005-L1009 HydrophobicContact CG2-CG 3.8Å; T1005-L1009 PolarHBondContact O-N 3.43Å; T1005-T1062 HydrophobicContact CG2-CG2 4.11Å; T1005-T1062 VanDerWaalsContact CG2-OG1 3.29Å; T1005-T1062 WeakPolarHBondContact CG2-OG1 3.49Å; T1005-F1129 HydrophobicContact CG2-CE1 3.52Å; T1005-F1129 HydrophobicContact CG2-CZ 3.69Å; T1005-D1171 WeakPolarHBondContact CA-OD2 3.44Å; T1005-D1171 VanDerWaalsContact CB-OD2 3.31Å; T1005-D1171 WeakPolarHBondContact CB-OD2 3.38Å; T1005-D1171 HydrophobicContact CG2-CB 4.36Å; T1005-D1171 WeakPolarHBondContact CG2-OD2 3.45Å; T1005-D1171 PolarHBondContact OG1-OD2 3.21Å; T1005-H1172 PolarHBondContact N-NE2 2.86Å
1006	P	89.7	Confident	92.2	Very high	14 Å²	14	14.3 Å²	14.3	9%	0.091	8%	0.084	C	C	.	.	H	α-helix	trans	-60.8	-35.1	178.5	-25.2	36.6	0	0	0	113	A1008 L1010 T1062 R1066 F1067	P1006-A1008 PolarHBondContact O-N 2.91Å; P1006-L1010 HydrophobicContact CB-CD1 4.26Å; P1006-L1010 VanDerWaalsContact O-CB 3.23Å; P1006-L1010 WeakPolarHBondContact O-CB 3.16Å; P1006-L1010 WeakPolarHBondContact O-CG 3.48Å; P1006-L1010 PolarHBondContact O-N 3.34Å; P1006-T1062 HydrophobicContact CG-CG2 4.14Å; P1006-R1066 VanDerWaalsContact CB-NH2 3.31Å; P1006-F1067 HydrophobicContact CB-CE2 4.12Å; P1006-F1067 HydrophobicContact CB-CZ 4.28Å; P1006-F1067 HydrophobicContact CG-CE2 4.07Å
1007	A	89.2	Confident	92	Very high	27 Å²	27	13.4 Å²	13.4	22%	0.223	8%	0.082	C	C	.	.	H	α-helix	trans	-73.3	-14.5	178.6	0	0	0	0	0	113.3	V1001 G1002 G1004 T1005 P1011	V1001-A1007 VanDerWaalsContact CG2-O 3.24Å; V1001-A1007 WeakPolarHBondContact CG2-O 3.11Å; G1002-A1007 VanDerWaalsContact C-CB 3.49Å; G1004-A1007 PolarHBondContact O-N 2.81Å; G1004-A1007 VanDerWaalsContact O-N 3.14Å; T1005-A1007 VanDerWaalsContact C-N 3.25Å; T1005-A1007 PolarHBondContact O-N 2.88Å; A1007-P1011 WeakPolarHBondContact O-CD 3.26Å; A1007-P1011 VanDerWaalsContact O-CG 3.3Å; A1007-P1011 WeakPolarHBondContact O-CG 3.38Å
1008	A	93.9	Very high	91.7	Very high	5 Å²	5	13.2 Å²	13.2	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-93.4	-49.5	170.3	0	0	0	0	0	111.5	G1004 T1005 P1006 P1011 I1012 D1171	G1004-A1008 PolarHBondContact O-N 3.24Å; T1005-A1008 PolarHBondContact O-N 3.2Å; P1006-A1008 PolarHBondContact O-N 2.91Å; A1008-P1011 WeakPolarHBondContact O-CD 3.28Å; A1008-I1012 WeakPolarHBondContact O-CD1 3.47Å; A1008-I1012 VanDerWaalsContact O-CG1 3.3Å; A1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; A1008-I1012 PolarHBondContact O-N 2.92Å; A1008-D1171 HydrophobicContact CB-CB 3.67Å; A1008-D1171 WeakPolarHBondContact CB-O 3.24Å
1009	L	97	Very high	91	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-76.6	-37.8	-170.6	-62.1	-164.1	0	0	0	113.5	T1005 I1012 L1013 T1062 F1127 F1129 F1169	T1005-L1009 HydrophobicContact CG2-CD1 3.62Å; T1005-L1009 HydrophobicContact CG2-CG 3.8Å; T1005-L1009 PolarHBondContact O-N 3.43Å; L1009-I1012 HydrophobicContact CD2-CD1 4.36Å; L1009-I1012 PolarHBondContact O-N 3.25Å; L1009-L1013 HydrophobicContact CB-CD1 4.2Å; L1009-L1013 VanDerWaalsContact O-CB 3.3Å; L1009-L1013 WeakPolarHBondContact O-CB 3.35Å; L1009-L1013 VanDerWaalsContact O-CG 3.3Å; L1009-L1013 WeakPolarHBondContact O-CG 3.43Å; L1009-L1013 PolarHBondContact O-N 3.09Å; L1009-T1062 HydrophobicContact CD1-CG2 4.18Å; L1009-F1127 HydrophobicContact CD1-CE1 4.1Å; L1009-F1127 HydrophobicContact CD1-CZ 3.77Å; L1009-F1127 HydrophobicContact CD2-CE2 4.33Å; L1009-F1127 HydrophobicContact CD2-CZ 3.72Å; L1009-F1127 HydrophobicContact CG-CZ 4.33Å; L1009-F1129 HydrophobicContact CD1-CD1 4.43Å; L1009-F1129 HydrophobicContact CD1-CD2 4.44Å; L1009-F1129 HydrophobicContact CD1-CE1 4.29Å; L1009-F1129 HydrophobicContact CD1-CE2 4.34Å; L1009-F1129 HydrophobicContact CD1-CZ 4.26Å; L1009-F1129 HydrophobicContact CD2-CE2 4.14Å; L1009-F1169 HydrophobicContact CD2-CE2 3.74Å; L1009-F1169 HydrophobicContact CD2-CZ 4.09Å
1010	L	95.9	Very high	90.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-49.6	176.8	-70.3	170.5	0	0	0	111	P1006 I1012 L1013 T1014 K1016 E1018 L1021 Y1037 F1039 Y1063 F1067	P1006-L1010 HydrophobicContact CB-CD1 4.26Å; P1006-L1010 VanDerWaalsContact O-CB 3.23Å; P1006-L1010 WeakPolarHBondContact O-CB 3.16Å; P1006-L1010 WeakPolarHBondContact O-CG 3.48Å; P1006-L1010 PolarHBondContact O-N 3.34Å; L1010-I1012 VanDerWaalsContact C-N 3.35Å; L1010-I1012 PolarHBondContact O-N 3.05Å; L1010-L1013 PolarHBondContact O-N 3.32Å; L1010-T1014 HydrophobicContact CD2-CG2 4.38Å; L1010-T1014 WeakPolarHBondContact O-CA 3.31Å; L1010-T1014 WeakPolarHBondContact O-CB 3.47Å; L1010-T1014 PolarHBondContact O-N 2.9Å; L1010-T1014 PolarHBondContact O-OG1 2.97Å; L1010-K1016 CarbonylContact C-O 3.58Å; L1010-E1018 HydrophobicContact CD1-CB 3.92Å; L1010-E1018 HydrophobicContact CD1-CG 4.26Å; L1010-L1021 HydrophobicContact CB-CD1 4.47Å; L1010-L1021 HydrophobicContact CD1-CD1 4.3Å; L1010-L1021 HydrophobicContact CD2-CD1 3.99Å; L1010-L1021 HydrophobicContact CG-CD1 4.5Å; L1010-Y1037 HydrophobicContact CD2-CD2 3.77Å; L1010-Y1037 HydrophobicContact CD2-CE2 3.87Å; L1010-F1039 HydrophobicContact CD2-CE1 4.19Å; L1010-Y1063 HydrophobicContact CD2-CE1 3.72Å; L1010-Y1063 HydrophobicContact CG-CE1 4.25Å; L1010-F1067 HydrophobicContact CD1-CZ 4.44Å
1011	P	97	Very high	90.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-59	-39.1	174.8	-31.9	40.8	0	0	0	114.5	V1001 A1007 A1008 G1015 K1016 P1223 F1224 H1227	V1001-P1011 HydrophobicContact CG2-CB 4.47Å; V1001-P1011 HydrophobicContact CG2-CG 3.92Å; A1007-P1011 WeakPolarHBondContact O-CD 3.26Å; A1007-P1011 VanDerWaalsContact O-CG 3.3Å; A1007-P1011 WeakPolarHBondContact O-CG 3.38Å; A1008-P1011 WeakPolarHBondContact O-CD 3.28Å; P1011-G1015 WeakPolarHBondContact O-CA 3.29Å; P1011-G1015 PolarHBondContact O-N 2.86Å; P1011-K1016 WeakPolarHBondContact CA-O 3.24Å; P1011-P1223 HydrophobicContact CB-CB 3.56Å; P1011-P1223 HydrophobicContact CG-CB 4.43Å; P1011-F1224 HydrophobicContact CB-CD1 3.88Å; P1011-F1224 HydrophobicContact CB-CE1 3.63Å; P1011-F1224 HydrophobicContact CB-CG 4.46Å; P1011-F1224 HydrophobicContact CB-CZ 4.02Å; P1011-F1224 HydrophobicContact CG-CE1 4.1Å; P1011-F1224 HydrophobicContact CG-CZ 4.13Å; P1011-H1227 WeakPolarHBondContact O-CB 3.48Å
1012	I	98.1	Very high	90.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63.3	-47.6	176.2	-70	169.4	0	0	0	110.9	M964 A1008 L1009 L1010 F1169 P1223 L1226 H1227	M964-I1012 HydrophobicContact CE-CG2 3.71Å; M964-I1012 HydrophobicContact SD-CG2 4.39Å; A1008-I1012 WeakPolarHBondContact O-CD1 3.47Å; A1008-I1012 VanDerWaalsContact O-CG1 3.3Å; A1008-I1012 WeakPolarHBondContact O-CG1 3.35Å; A1008-I1012 PolarHBondContact O-N 2.92Å; L1009-I1012 HydrophobicContact CD2-CD1 4.36Å; L1009-I1012 PolarHBondContact O-N 3.25Å; L1010-I1012 VanDerWaalsContact C-N 3.35Å; L1010-I1012 PolarHBondContact O-N 3.05Å; I1012-F1169 HydrophobicContact CD1-CD2 4.29Å; I1012-F1169 HydrophobicContact CD1-CE2 4.11Å; I1012-P1223 HydrophobicContact CG1-CB 3.89Å; I1012-L1226 HydrophobicContact CD1-CD1 4.01Å; I1012-L1226 HydrophobicContact CG1-CB 4.38Å; I1012-L1226 HydrophobicContact CG1-CD1 4.14Å; I1012-H1227 WeakPolarHBondContact O-CB 3.41Å; I1012-H1227 PolarHBondContact O-ND1 2.74Å
1013	L	98.1	Very high	90.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-91.3	-18.1	-167.2	-63.7	166.7	0	0	0	113.3	L1009 L1010 F1039 I1040 W1041 Y1063 F1125 F1127	L1009-L1013 HydrophobicContact CB-CD1 4.2Å; L1009-L1013 VanDerWaalsContact O-CB 3.3Å; L1009-L1013 WeakPolarHBondContact O-CB 3.35Å; L1009-L1013 VanDerWaalsContact O-CG 3.3Å; L1009-L1013 WeakPolarHBondContact O-CG 3.43Å; L1009-L1013 PolarHBondContact O-N 3.09Å; L1010-L1013 PolarHBondContact O-N 3.32Å; L1013-F1039 HydrophobicContact CB-CD1 3.97Å; L1013-F1039 CarbonylContact O-C 3.57Å; L1013-F1039 WeakPolarHBondContact O-CA 3.28Å; L1013-I1040 HydrophobicContact CD2-CG2 4.15Å; L1013-I1040 WeakPolarHBondContact O-CB 3.39Å; L1013-I1040 PolarHBondContact O-N 2.85Å; L1013-W1041 HydrophobicContact CB-CZ3 4.18Å; L1013-W1041 HydrophobicContact CD1-CH2 4.13Å; L1013-W1041 HydrophobicContact CD1-CZ3 3.57Å; L1013-W1041 HydrophobicContact CD2-CE3 4.07Å; L1013-W1041 HydrophobicContact CD2-CZ3 3.79Å; L1013-W1041 HydrophobicContact CG-CZ3 4.04Å; L1013-Y1063 WeakPolarHBondContact CD1-OH 3.38Å; L1013-F1125 HydrophobicContact CD2-CZ 4.34Å; L1013-F1127 HydrophobicContact CD1-CE2 4.25Å; L1013-F1127 HydrophobicContact CD1-CZ 4.34Å; L1013-F1127 HydrophobicContact CD2-CD2 3.98Å; L1013-F1127 HydrophobicContact CD2-CE2 4.12Å; L1013-F1127 HydrophobicContact CG-CE2 4.47Å
1014	T	97.6	Very high	91.5	Very high	9 Å²	9	17.7 Å²	17.7	6%	0.055	10%	0.101	C	C	.	.	H	α-helix	trans	-127.6	-14.2	-176.5	72.1	0	0	0	0	113.8	L1010 K1016 F1039 H1227	L1010-T1014 HydrophobicContact CD2-CG2 4.38Å; L1010-T1014 WeakPolarHBondContact O-CA 3.31Å; L1010-T1014 WeakPolarHBondContact O-CB 3.47Å; L1010-T1014 PolarHBondContact O-N 2.9Å; L1010-T1014 PolarHBondContact O-OG1 2.97Å; T1014-K1016 PolarHBondContact O-N 3.25Å; T1014-K1016 PolarHBondContact OG1-N 3.23Å; T1014-K1016 VanDerWaalsContact OG1-N 3.16Å; T1014-K1016 PolarHBondContact OG1-O 3.43Å; T1014-F1039 HydrophobicContact CG2-CD1 3.63Å; T1014-F1039 HydrophobicContact CG2-CE1 3.97Å; T1014-F1039 HydrophobicContact CG2-CG 4.3Å; T1014-H1227 VanDerWaalsContact C-CE1 3.48Å
1015	G	96.2	Very high	91.7	Very high	13 Å²	13	18.2 Å²	18.2	13%	0.134	10%	0.102	C	C	.	.	S	Bend	trans	72.3	6.9	-172.3	0	0	0	0	0	114.2	P1011 H1227 R1247	P1011-G1015 WeakPolarHBondContact O-CA 3.29Å; P1011-G1015 PolarHBondContact O-N 2.86Å; G1015-H1227 VanDerWaalsContact CA-CD2 3.4Å; G1015-H1227 WeakPolarHBondContact CA-CD2 3.17Å; G1015-H1227 PolarHBondContact N-CE1 3.02Å; G1015-H1227 PolarHBondContact N-ND1 2.8Å; G1015-R1247 PolarHBondContact O-NH2 2.68Å
1016	K	94.3	Very high	91.4	Very high	62 Å²	62	24.2 Å²	24.2	27%	0.27	12%	0.124	S	C	.	.	S	Bend	trans	-126.8	154.1	-173.5	-65.8	-170.3	174.9	-127.4	0	113	E824 L1010 P1011 T1014 E1020 L1021	E824-K1016 IonicContact OE1-NZ 3.61Å; L1010-K1016 CarbonylContact C-O 3.58Å; P1011-K1016 WeakPolarHBondContact CA-O 3.24Å; T1014-K1016 PolarHBondContact O-N 3.25Å; T1014-K1016 PolarHBondContact OG1-N 3.23Å; T1014-K1016 VanDerWaalsContact OG1-N 3.16Å; T1014-K1016 PolarHBondContact OG1-O 3.43Å; K1016-E1020 VanDerWaalsContact CA-OE2 3.24Å; K1016-E1020 WeakPolarHBondContact CA-OE2 3.42Å; K1016-E1020 HydrophobicContact CB-CB 4.17Å; K1016-E1020 WeakPolarHBondContact CB-OE2 3.47Å; K1016-E1020 HydrophobicContact CD-CB 4.36Å; K1016-L1021 HydrophobicContact CB-CD1 4.4Å; K1016-L1021 HydrophobicContact CB-CD2 4.09Å; K1016-L1021 HydrophobicContact CB-CG 4.02Å; K1016-L1021 HydrophobicContact CD-CD2 3.88Å; K1016-L1021 HydrophobicContact CD-CG 4.49Å
1017	T	89	Confident	90.8	Very high	29 Å²	29	24.2 Å²	24.2	18%	0.178	12%	0.124	C	C	.	.			trans	-79.2	167	166.3	76.4	0	0	0	0	110.4	E1019 E1020 L1021 F1224	T1017-E1019 VanDerWaalsContact C-N 3.28Å; T1017-E1019 WeakPolarHBondContact CB-OE2 3.22Å; T1017-E1019 PolarHBondContact O-N 2.95Å; T1017-E1019 PolarHBondContact OG1-OE2 2.84Å; T1017-E1020 PolarHBondContact N-OE2 3.44Å; T1017-E1020 PolarHBondContact O-N 2.86Å; T1017-L1021 WeakPolarHBondContact O-CG 3.36Å; T1017-F1224 HydrophobicContact CG2-CE1 4.5Å; T1017-F1224 HydrophobicContact CG2-CZ 3.8Å
1018	E	85.4	Confident	90.2	Very high	15 Å²	15	25.9 Å²	25.9	7%	0.07	13%	0.127	C	C	.	.	S	Bend	trans	-62.2	-36.5	177.4	-172.8	-174.9	161.6	0	0	112.6	Y821 L1010 E1020 L1021 R1066 F1067 Y1407	Y821-E1018 HydrophobicContact CE1-CG 4.02Å; L1010-E1018 HydrophobicContact CD1-CB 3.92Å; L1010-E1018 HydrophobicContact CD1-CG 4.26Å; E1018-E1020 PolarHBondContact O-N 2.83Å; E1018-L1021 WeakPolarHBondContact O-CB 3.33Å; E1018-L1021 PolarHBondContact O-N 2.96Å; E1018-R1066 IonicContact OE1-CZ 3.82Å; E1018-R1066 IonicContact OE1-NH1 2.95Å; E1018-R1066 PolarHBondContact OE1-NH1 2.81Å; E1018-R1066 IonicContact OE1-NH2 3.77Å; E1018-R1066 IonicContact OE2-CZ 2.83Å; E1018-R1066 IonicContact OE2-NH1 3.87Å; E1018-R1066 PolarHBondContact OE2-NH1 3.28Å; E1018-R1066 IonicContact OE2-NH2 3.59Å; E1018-R1066 PolarHBondContact OE2-NH2 3.13Å; E1018-F1067 HydrophobicContact CG-CE1 4.08Å; E1018-F1067 HydrophobicContact CG-CZ 4.25Å; E1018-F1067 WeakPolarHBondContact OE1-CE1 3.23Å; E1018-Y1407 PolarHBondContact OE1-OH 3.4Å; E1018-Y1407 PolarHBondContact OE2-OH 2.9Å
1019	E	81	Confident	89.3	Confident	34 Å²	34	37 Å²	37	16%	0.159	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25.9	-178.1	-55.2	78	-168.8	0	0	112.4	K819 G822 T1017 L1021	K819-E1019 HydrophobicContact CB-CG 4.2Å; K819-E1019 HydrophobicContact CD-CG 4.16Å; G822-E1019 PolarHBondContact N-O 3.43Å; T1017-E1019 VanDerWaalsContact C-N 3.28Å; T1017-E1019 WeakPolarHBondContact CB-OE2 3.22Å; T1017-E1019 PolarHBondContact O-N 2.95Å; T1017-E1019 PolarHBondContact OG1-OE2 2.84Å; E1019-L1021 VanDerWaalsContact C-N 3.28Å
1020	E	86.9	Confident	88.6	Confident	41 Å²	41	44.4 Å²	44.4	19%	0.192	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.3	175.1	-64.5	175.1	144.6	0	0	112.9	K1016 T1017 E1018 R1247	K1016-E1020 VanDerWaalsContact CA-OE2 3.24Å; K1016-E1020 WeakPolarHBondContact CA-OE2 3.42Å; K1016-E1020 HydrophobicContact CB-CB 4.17Å; K1016-E1020 WeakPolarHBondContact CB-OE2 3.47Å; K1016-E1020 HydrophobicContact CD-CB 4.36Å; T1017-E1020 PolarHBondContact N-OE2 3.44Å; T1017-E1020 PolarHBondContact O-N 2.86Å; E1018-E1020 PolarHBondContact O-N 2.83Å; E1020-R1247 IonicContact OE1-CZ 2.87Å; E1020-R1247 IonicContact OE1-NH1 3.66Å; E1020-R1247 PolarHBondContact OE1-NH1 3.12Å; E1020-R1247 IonicContact OE1-NH2 3.64Å; E1020-R1247 PolarHBondContact OE1-NH2 3.16Å; E1020-R1247 IonicContact OE2-CZ 2.85Å; E1020-R1247 IonicContact OE2-NH1 3.72Å; E1020-R1247 PolarHBondContact OE2-NH1 3.22Å; E1020-R1247 IonicContact OE2-NH2 2.85Å; E1020-R1247 PolarHBondContact OE2-NH2 2.98Å
1021	L	90.4	Very high	88.2	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	21%	0.211	C	C	.	.	S	Bend	trans	-100.7	159.4	-178.5	-69.5	169.4	0	0	0	110.9	L1010 K1016 T1017 E1018 E1019 Y1037 P1038	L1010-L1021 HydrophobicContact CB-CD1 4.47Å; L1010-L1021 HydrophobicContact CD1-CD1 4.3Å; L1010-L1021 HydrophobicContact CD2-CD1 3.99Å; L1010-L1021 HydrophobicContact CG-CD1 4.5Å; K1016-L1021 HydrophobicContact CB-CD1 4.4Å; K1016-L1021 HydrophobicContact CB-CD2 4.09Å; K1016-L1021 HydrophobicContact CB-CG 4.02Å; K1016-L1021 HydrophobicContact CD-CD2 3.88Å; K1016-L1021 HydrophobicContact CD-CG 4.49Å; T1017-L1021 WeakPolarHBondContact O-CG 3.36Å; E1018-L1021 WeakPolarHBondContact O-CB 3.33Å; E1018-L1021 PolarHBondContact O-N 2.96Å; E1019-L1021 VanDerWaalsContact C-N 3.28Å; L1021-Y1037 HydrophobicContact CB-CD1 4.03Å; L1021-Y1037 HydrophobicContact CB-CE1 3.59Å; L1021-Y1037 HydrophobicContact CD1-CD1 4.29Å; L1021-Y1037 HydrophobicContact CD1-CD2 4.06Å; L1021-Y1037 HydrophobicContact CD1-CE1 4.29Å; L1021-Y1037 HydrophobicContact CD1-CE2 4.05Å; L1021-Y1037 HydrophobicContact CD1-CG 4.17Å; L1021-Y1037 HydrophobicContact CD2-CD1 4.1Å; L1021-Y1037 HydrophobicContact CD2-CG 4.37Å; L1021-Y1037 HydrophobicContact CG-CD1 4.38Å; L1021-Y1037 HydrophobicContact CG-CE1 4.35Å; L1021-P1038 HydrophobicContact CD2-CG 4.17Å
1022	P	89.9	Confident	88	Confident	57 Å²	57	47.3 Å²	47.3	37%	0.37	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-56.3	151	174.1	-26	34.9	0	0	0	112.9	T1024 V1036 Y1037	P1022-T1024 PolarHBondContact O-N 3.46Å; P1022-V1036 HydrophobicContact CB-CG2 3.72Å; P1022-V1036 HydrophobicContact CG-CG2 3.84Å; P1022-Y1037 HydrophobicContact CB-CE1 4.46Å; P1022-Y1037 WeakPolarHBondContact O-CE1 3.44Å; P1022-Y1037 PolarHBondContact O-OH 2.86Å; P1022-Y1037 VanDerWaalsContact O-OH 3.06Å
1023	E	88.1	Confident	87.8	Confident	45 Å²	45	51 Å²	51	21%	0.21	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66	116.4	176.6	178.2	56.4	-102.5	0	0	111.2	R1025 Q1028 A1031 S1032	E1023-R1025 VanDerWaalsContact CD-NE 3.28Å; E1023-R1025 WeakPolarHBondContact OE1-CB 3.44Å; E1023-R1025 WeakPolarHBondContact OE1-CG 3.47Å; E1023-R1025 IonicContact OE1-CZ 2.68Å; E1023-R1025 PolarHBondContact OE1-N 3.01Å; E1023-R1025 IonicContact OE1-NE 3.35Å; E1023-R1025 PolarHBondContact OE1-NE 2.82Å; E1023-R1025 IonicContact OE1-NH2 3.63Å; E1023-R1025 IonicContact OE2-CZ 3.33Å; E1023-R1025 IonicContact OE2-NE 2.68Å; E1023-R1025 PolarHBondContact OE2-NE 3.15Å; E1023-R1025 IonicContact OE2-NH2 2.6Å; E1023-R1025 PolarHBondContact OE2-NH2 3.35Å; E1023-Q1028 VanDerWaalsContact CD-CG 3.5Å; E1023-Q1028 HydrophobicContact CG-CB 3.84Å; E1023-Q1028 HydrophobicContact CG-CG 3.91Å; E1023-A1031 HydrophobicContact CG-CB 4.09Å; E1023-A1031 CarbonylContact O-C 3.6Å; E1023-A1031 VanDerWaalsContact O-CA 3.3Å; E1023-A1031 WeakPolarHBondContact O-CA 3.17Å; E1023-A1031 WeakPolarHBondContact O-CB 3.34Å; E1023-S1032 PolarHBondContact O-N 3.49Å
1024	T	91.3	Very high	87.6	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.			trans	-128.4	9.1	-178.6	64.8	0	0	0	0	113.7	P1022 S1032 V1034 V1036 Y1037 F1067 K1068	P1022-T1024 PolarHBondContact O-N 3.46Å; T1024-S1032 VanDerWaalsContact CA-O 3.22Å; T1024-S1032 WeakPolarHBondContact CA-O 3.39Å; T1024-S1032 WeakPolarHBondContact CB-O 3.42Å; T1024-S1032 WeakPolarHBondContact CG2-O 3.46Å; T1024-V1034 HydrophobicContact CG2-CG1 4.28Å; T1024-V1036 HydrophobicContact CG2-CG2 4Å; T1024-Y1037 HydrophobicContact CG2-CD1 4.34Å; T1024-Y1037 HydrophobicContact CG2-CE1 3.47Å; T1024-Y1037 VanDerWaalsContact CG2-CE1 3.47Å; T1024-Y1037 PolarHBondContact OG1-OH 3.47Å; T1024-F1067 CarbonylContact O-C 3.53Å; T1024-F1067 WeakPolarHBondContact O-CA 3.06Å; T1024-F1067 WeakPolarHBondContact OG1-CD1 3.36Å; T1024-K1068 PolarHBondContact O-N 3.1Å
1025	R	85.9	Confident	87.5	Confident	15 Å²	15	52.3 Å²	52.3	6%	0.057	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-71.9	140.3	-177.6	-60.5	173	-62.3	163.4	1.2	111.1	Y821 E1023 S1027 Q1028 A1031 R1066 F1067 Y1407	Y821-R1025 VanDerWaalsContact CE2-CZ 3.49Å; Y821-R1025 PolarHBondContact OH-NH1 3.22Å; E1023-R1025 VanDerWaalsContact CD-NE 3.28Å; E1023-R1025 WeakPolarHBondContact OE1-CB 3.44Å; E1023-R1025 WeakPolarHBondContact OE1-CG 3.47Å; E1023-R1025 IonicContact OE1-CZ 2.68Å; E1023-R1025 PolarHBondContact OE1-N 3.01Å; E1023-R1025 IonicContact OE1-NE 3.35Å; E1023-R1025 PolarHBondContact OE1-NE 2.82Å; E1023-R1025 IonicContact OE1-NH2 3.63Å; E1023-R1025 IonicContact OE2-CZ 3.33Å; E1023-R1025 IonicContact OE2-NE 2.68Å; E1023-R1025 PolarHBondContact OE2-NE 3.15Å; E1023-R1025 IonicContact OE2-NH2 2.6Å; E1023-R1025 PolarHBondContact OE2-NH2 3.35Å; R1025-S1027 PolarHBondContact O-N 2.94Å; R1025-Q1028 HydrophobicContact CB-CG 4.19Å; R1025-Q1028 PolarHBondContact O-N 3.11Å; R1025-Q1028 VanDerWaalsContact O-N 3.11Å; R1025-A1031 WeakPolarHBondContact O-CB 3.36Å; R1025-R1066 WeakPolarHBondContact CA-O 3.36Å; R1025-F1067 HydrophobicContact CG-CD1 4.23Å; R1025-F1067 HydrophobicContact CG-CE1 4.37Å; R1025-Y1407 VanDerWaalsContact CD-CE2 3.4Å
1026	R	83.9	Confident	87.5	Confident	136 Å²	136	55.1 Å²	55.1	51%	0.513	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.3	-180	-64.5	174.7	67	179.3	2.7	113.1	Q1028 R1066 F1067 K1068	R1026-Q1028 PolarHBondContact O-N 3.44Å; R1026-R1066 PolarHBondContact N-O 3.18Å; R1026-F1067 WeakPolarHBondContact CD-O 3.49Å; R1026-F1067 WeakPolarHBondContact CG-O 3.36Å; R1026-K1068 HydrophobicContact CG-CG 4.17Å
1027	S	77	Confident	87.6	Confident	15 Å²	15	52.2 Å²	52.2	11%	0.105	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.3	179.5	51	0	0	0	0	113.4	R1025 S1403	R1025-S1027 PolarHBondContact O-N 2.94Å; S1027-S1403 WeakPolarHBondContact CA-O 3.49Å
1028	Q	77.3	Confident	88	Confident	61 Å²	61	54.2 Å²	54.2	29%	0.285	27%	0.266	S	S	.	.	S	Bend	trans	-97.7	119.9	-177.9	-60	-59.5	-35.7	0	0	110.8	E1023 R1025 R1026 N1030 A1031	E1023-Q1028 VanDerWaalsContact CD-CG 3.5Å; E1023-Q1028 HydrophobicContact CG-CB 3.84Å; E1023-Q1028 HydrophobicContact CG-CG 3.91Å; R1025-Q1028 HydrophobicContact CB-CG 4.19Å; R1025-Q1028 PolarHBondContact O-N 3.11Å; R1025-Q1028 VanDerWaalsContact O-N 3.11Å; R1026-Q1028 PolarHBondContact O-N 3.44Å; Q1028-N1030 VanDerWaalsContact C-N 3.26Å; Q1028-N1030 PolarHBondContact O-N 3.26Å; Q1028-A1031 HydrophobicContact CB-CB 3.98Å; Q1028-A1031 WeakPolarHBondContact O-CB 3.49Å; Q1028-A1031 PolarHBondContact O-N 3.14Å; Q1028-A1031 VanDerWaalsContact O-N 3.13Å
1029	R	76.1	Confident	88.6	Confident	238 Å²	238	53.6 Å²	53.6	90%	0.898	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.3	-172.5	-155.9	177.8	-173.3	-179.9	1.1	113
1030	N	82.1	Confident	89.4	Confident	157 Å²	157	52.2 Å²	52.2	84%	0.84	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	17.2	-177.5	-63.1	-7.9	0	0	0	113.8	Q1028	Q1028-N1030 VanDerWaalsContact C-N 3.26Å; Q1028-N1030 PolarHBondContact O-N 3.26Å
1031	A	86.9	Confident	89.9	Confident	9 Å²	9	50.4 Å²	50.4	7%	0.074	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66.4	149	177.9	0	0	0	0	0	113.2	E1023 R1025 Q1028 K1068	E1023-A1031 HydrophobicContact CG-CB 4.09Å; E1023-A1031 CarbonylContact O-C 3.6Å; E1023-A1031 VanDerWaalsContact O-CA 3.3Å; E1023-A1031 WeakPolarHBondContact O-CA 3.17Å; E1023-A1031 WeakPolarHBondContact O-CB 3.34Å; R1025-A1031 WeakPolarHBondContact O-CB 3.36Å; Q1028-A1031 HydrophobicContact CB-CB 3.98Å; Q1028-A1031 WeakPolarHBondContact O-CB 3.49Å; Q1028-A1031 PolarHBondContact O-N 3.14Å; Q1028-A1031 VanDerWaalsContact O-N 3.13Å; A1031-K1068 HydrophobicContact CB-CD 4.1Å; A1031-K1068 WeakPolarHBondContact O-CE 3.5Å; A1031-K1068 PolarHBondContact O-NZ 3.34Å
1032	S	92.5	Very high	90.1	Very high	53 Å²	53	54.7 Å²	54.7	37%	0.371	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-86.4	169.9	169.9	-66.3	0	0	0	0	111.8	E1023 T1024	E1023-S1032 PolarHBondContact O-N 3.49Å; T1024-S1032 VanDerWaalsContact CA-O 3.22Å; T1024-S1032 WeakPolarHBondContact CA-O 3.39Å; T1024-S1032 WeakPolarHBondContact CB-O 3.42Å; T1024-S1032 WeakPolarHBondContact CG2-O 3.46Å
1033	F	94.3	Very high	90.4	Very high	79 Å²	79	54.9 Å²	54.9	35%	0.346	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-75.4	159.5	165.4	-68	-96	0	0	0	110.5	D1035 V1036 K1068 G1069 K1071	F1033-D1035 WeakPolarHBondContact CB-OD2 3.41Å; F1033-D1035 PolarHBondContact O-N 3.48Å; F1033-D1035 VanDerWaalsContact O-N 3.07Å; F1033-V1036 WeakPolarHBondContact O-CG2 3.48Å; F1033-V1036 PolarHBondContact O-N 3.41Å; F1033-K1068 HydrophobicContact CD1-CB 3.97Å; F1033-K1068 WeakPolarHBondContact CD1-O 3.46Å; F1033-K1068 HydrophobicContact CE1-CB 4.38Å; F1033-K1068 HydrophobicContact CG-CB 4.37Å; F1033-G1069 WeakPolarHBondContact CB-O 3.17Å; F1033-G1069 WeakPolarHBondContact CD1-O 2.92Å; F1033-K1071 HydrophobicContact CB-CB 4.13Å; F1033-K1071 HydrophobicContact CD1-CB 3.84Å; F1033-K1071 HydrophobicContact CD2-CB 4.05Å; F1033-K1071 HydrophobicContact CD2-CD 4.09Å; F1033-K1071 HydrophobicContact CD2-CG 4.46Å; F1033-K1071 HydrophobicContact CE1-CB 4.22Å; F1033-K1071 HydrophobicContact CE2-CB 4.41Å; F1033-K1071 HydrophobicContact CE2-CD 4.04Å; F1033-K1071 HydrophobicContact CE2-CG 4.41Å; F1033-K1071 HydrophobicContact CG-CB 3.76Å; F1033-K1071 HydrophobicContact CZ-CB 4.49Å; F1033-K1071 HydrophobicContact CZ-CG 4.48Å
1034	V	94.6	Very high	90.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-67	-9.3	-177.2	-64.5	0	0	0	0	113.5	T1024 V1036 Y1037 F1067 G1069 F1070	T1024-V1034 HydrophobicContact CG2-CG1 4.28Å; V1034-V1036 PolarHBondContact O-N 2.92Å; V1034-Y1037 HydrophobicContact CB-CD2 4.17Å; V1034-Y1037 HydrophobicContact CB-CE2 4.29Å; V1034-Y1037 HydrophobicContact CG1-CD2 4.41Å; V1034-Y1037 HydrophobicContact CG1-CE2 4.03Å; V1034-Y1037 WeakPolarHBondContact O-CB 3.32Å; V1034-Y1037 PolarHBondContact O-N 3.29Å; V1034-F1067 HydrophobicContact CG1-CB 3.79Å; V1034-F1067 HydrophobicContact CG1-CG 4.27Å; V1034-G1069 VanDerWaalsContact CG2-C 3.43Å; V1034-G1069 VanDerWaalsContact CG2-O 3.26Å; V1034-G1069 WeakPolarHBondContact CG2-O 3.47Å; V1034-G1069 PolarHBondContact N-O 2.9Å; V1034-G1069 VanDerWaalsContact N-O 3.07Å; V1034-F1070 HydrophobicContact CB-CE1 4.4Å; V1034-F1070 HydrophobicContact CG2-CB 4.43Å; V1034-F1070 HydrophobicContact CG2-CD1 3.43Å; V1034-F1070 VanDerWaalsContact CG2-CD1 3.43Å; V1034-F1070 HydrophobicContact CG2-CD2 3.84Å; V1034-F1070 HydrophobicContact CG2-CE1 3.45Å; V1034-F1070 VanDerWaalsContact CG2-CE1 3.45Å; V1034-F1070 HydrophobicContact CG2-CE2 3.84Å; V1034-F1070 HydrophobicContact CG2-CG 3.63Å; V1034-F1070 HydrophobicContact CG2-CZ 3.65Å
1035	D	95.6	Very high	90.9	Very high	37 Å²	37	57.5 Å²	57.5	20%	0.198	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-51.2	-23.1	171	-52.5	-118.1	0	0	0	113.1	F1033 Y1037 K1042 F1070 K1071 E1072	F1033-D1035 WeakPolarHBondContact CB-OD2 3.41Å; F1033-D1035 PolarHBondContact O-N 3.48Å; F1033-D1035 VanDerWaalsContact O-N 3.07Å; D1035-Y1037 VanDerWaalsContact C-N 3.27Å; D1035-Y1037 PolarHBondContact O-N 3.22Å; D1035-K1042 PolarHBondContact O-NZ 2.97Å; D1035-F1070 WeakPolarHBondContact OD2-CA 3.45Å; D1035-K1071 PolarHBondContact OD1-N 2.9Å; D1035-K1071 PolarHBondContact OD2-N 2.91Å; D1035-E1072 PolarHBondContact OD1-N 3.35Å
1036	V	95.4	Very high	91.2	Very high	71 Å²	71	64.3 Å²	64.3	43%	0.43	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-76.2	-10	177.1	-58.1	0	0	0	0	113.9	P1022 T1024 F1033 V1034	P1022-V1036 HydrophobicContact CB-CG2 3.72Å; P1022-V1036 HydrophobicContact CG-CG2 3.84Å; T1024-V1036 HydrophobicContact CG2-CG2 4Å; F1033-V1036 WeakPolarHBondContact O-CG2 3.48Å; F1033-V1036 PolarHBondContact O-N 3.41Å; V1034-V1036 PolarHBondContact O-N 2.92Å
1037	Y	96.6	Very high	91.5	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	28%	0.279	C	S	.	.	S	Bend	trans	-76	143.7	-177.8	-67.1	-6	0	0	0	112.4	L1010 L1021 P1022 T1024 V1034 D1035 F1039 K1042	L1010-Y1037 HydrophobicContact CD2-CD2 3.77Å; L1010-Y1037 HydrophobicContact CD2-CE2 3.87Å; L1021-Y1037 HydrophobicContact CB-CD1 4.03Å; L1021-Y1037 HydrophobicContact CB-CE1 3.59Å; L1021-Y1037 HydrophobicContact CD1-CD1 4.29Å; L1021-Y1037 HydrophobicContact CD1-CD2 4.06Å; L1021-Y1037 HydrophobicContact CD1-CE1 4.29Å; L1021-Y1037 HydrophobicContact CD1-CE2 4.05Å; L1021-Y1037 HydrophobicContact CD1-CG 4.17Å; L1021-Y1037 HydrophobicContact CD2-CD1 4.1Å; L1021-Y1037 HydrophobicContact CD2-CG 4.37Å; L1021-Y1037 HydrophobicContact CG-CD1 4.38Å; L1021-Y1037 HydrophobicContact CG-CE1 4.35Å; P1022-Y1037 HydrophobicContact CB-CE1 4.46Å; P1022-Y1037 WeakPolarHBondContact O-CE1 3.44Å; P1022-Y1037 PolarHBondContact O-OH 2.86Å; P1022-Y1037 VanDerWaalsContact O-OH 3.06Å; T1024-Y1037 HydrophobicContact CG2-CD1 4.34Å; T1024-Y1037 HydrophobicContact CG2-CE1 3.47Å; T1024-Y1037 VanDerWaalsContact CG2-CE1 3.47Å; T1024-Y1037 PolarHBondContact OG1-OH 3.47Å; V1034-Y1037 HydrophobicContact CB-CD2 4.17Å; V1034-Y1037 HydrophobicContact CB-CE2 4.29Å; V1034-Y1037 HydrophobicContact CG1-CD2 4.41Å; V1034-Y1037 HydrophobicContact CG1-CE2 4.03Å; V1034-Y1037 WeakPolarHBondContact O-CB 3.32Å; V1034-Y1037 PolarHBondContact O-N 3.29Å; D1035-Y1037 VanDerWaalsContact C-N 3.27Å; D1035-Y1037 PolarHBondContact O-N 3.22Å; Y1037-F1039 HydrophobicContact CD2-CE1 4.48Å; Y1037-F1039 HydrophobicContact CD2-CE2 4.17Å; Y1037-F1039 AromaticContact CD2-CZ 3.79Å; Y1037-F1039 HydrophobicContact CD2-CZ 3.79Å; Y1037-F1039 HydrophobicContact CG-CE2 4.29Å; Y1037-F1039 HydrophobicContact CG-CZ 4.32Å; Y1037-F1039 PolarHBondContact O-N 2.85Å; Y1037-K1042 PolarHBondContact O-NZ 2.99Å
1038	P	96.2	Very high	92.3	Very high	70 Å²	70	58.4 Å²	58.4	46%	0.455	28%	0.28	S	S	.	.			trans	-84.4	61.5	-178	36.1	-35.5	0	0	0	111	L1021	L1021-P1038 HydrophobicContact CD2-CG 4.17Å
1039	F	98.2	Very high	93.2	Very high	3 Å²	3	55.7 Å²	55.7	1%	0.013	27%	0.267	C	S	.	.			trans	-64.8	137.1	179	-65.1	-72.5	0	0	0	112.2	L1010 L1013 T1014 Y1037 W1041 K1042 Y1063 F1070	L1010-F1039 HydrophobicContact CD2-CE1 4.19Å; L1013-F1039 HydrophobicContact CB-CD1 3.97Å; L1013-F1039 CarbonylContact O-C 3.57Å; L1013-F1039 WeakPolarHBondContact O-CA 3.28Å; T1014-F1039 HydrophobicContact CG2-CD1 3.63Å; T1014-F1039 HydrophobicContact CG2-CE1 3.97Å; T1014-F1039 HydrophobicContact CG2-CG 4.3Å; Y1037-F1039 HydrophobicContact CD2-CE1 4.48Å; Y1037-F1039 HydrophobicContact CD2-CE2 4.17Å; Y1037-F1039 AromaticContact CD2-CZ 3.79Å; Y1037-F1039 HydrophobicContact CD2-CZ 3.79Å; Y1037-F1039 HydrophobicContact CG-CE2 4.29Å; Y1037-F1039 HydrophobicContact CG-CZ 4.32Å; Y1037-F1039 PolarHBondContact O-N 2.85Å; F1039-W1041 HydrophobicContact CB-CD2 3.52Å; F1039-W1041 HydrophobicContact CB-CE3 3.97Å; F1039-W1041 HydrophobicContact CB-CG 4.12Å; F1039-W1041 HydrophobicContact CB-CH2 3.88Å; F1039-W1041 HydrophobicContact CB-CZ2 3.4Å; F1039-W1041 VanDerWaalsContact CB-CZ2 3.4Å; F1039-W1041 HydrophobicContact CB-CZ3 4.15Å; F1039-W1041 HydrophobicContact CD1-CE3 4.43Å; F1039-W1041 AromaticContact CD1-CH2 3.18Å; F1039-W1041 HydrophobicContact CD1-CH2 3.18Å; F1039-W1041 AromaticContact CD1-CZ2 3.4Å; F1039-W1041 HydrophobicContact CD1-CZ2 3.4Å; F1039-W1041 VanDerWaalsContact CD1-CZ2 3.4Å; F1039-W1041 AromaticContact CD1-CZ3 3.77Å; F1039-W1041 HydrophobicContact CD1-CZ3 3.77Å; F1039-W1041 AromaticContact CD2-CE2 3.85Å; F1039-W1041 HydrophobicContact CD2-CH2 4Å; F1039-W1041 AromaticContact CD2-CZ2 3.31Å; F1039-W1041 HydrophobicContact CD2-CZ2 3.31Å; F1039-W1041 AromaticContact CE1-CH2 3.51Å; F1039-W1041 HydrophobicContact CE1-CH2 3.51Å; F1039-W1041 AromaticContact CE1-CZ2 3.86Å; F1039-W1041 HydrophobicContact CE1-CZ2 3.86Å; F1039-W1041 HydrophobicContact CE1-CZ3 4.37Å; F1039-W1041 HydrophobicContact CE2-CH2 4.27Å; F1039-W1041 AromaticContact CE2-CZ2 3.78Å; F1039-W1041 HydrophobicContact CE2-CZ2 3.78Å; F1039-W1041 HydrophobicContact CG-CD2 4.18Å; F1039-W1041 AromaticContact CG-CE2 3.5Å; F1039-W1041 HydrophobicContact CG-CE3 4.44Å; F1039-W1041 AromaticContact CG-CH2 3.44Å; F1039-W1041 HydrophobicContact CG-CH2 3.44Å; F1039-W1041 VanDerWaalsContact CG-CH2 3.44Å; F1039-W1041 AromaticContact CG-CZ2 3.08Å; F1039-W1041 HydrophobicContact CG-CZ2 3.08Å; F1039-W1041 HydrophobicContact CG-CZ3 4.12Å; F1039-W1041 HydrophobicContact CZ-CH2 4.04Å; F1039-W1041 HydrophobicContact CZ-CZ2 4.02Å; F1039-W1041 PolarHBondContact O-N 3Å; F1039-W1041 VanDerWaalsContact O-N 3.15Å; F1039-K1042 WeakPolarHBondContact O-CB 3.28Å; F1039-K1042 PolarHBondContact O-N 2.9Å; F1039-Y1063 HydrophobicContact CE1-CE1 4.17Å; F1039-Y1063 AromaticContact CE1-CZ 3.9Å; F1039-Y1063 HydrophobicContact CZ-CE1 4.12Å; F1039-F1070 HydrophobicContact CD2-CE1 4.27Å; F1039-F1070 AromaticContact CE2-CE1 3.57Å; F1039-F1070 HydrophobicContact CE2-CE1 3.57Å; F1039-F1070 AromaticContact CE2-CZ 3.78Å; F1039-F1070 HydrophobicContact CE2-CZ 3.78Å; F1039-F1070 HydrophobicContact CZ-CE1 4.2Å; F1039-F1070 AromaticContact CZ-CZ 3.94Å; F1039-F1070 HydrophobicContact CZ-CZ 3.94Å
1040	I	97.8	Very high	94.1	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-31.8	-176.6	-168.2	66	0	0	0	112.7	L1013 K1042 E1043 L1044 F1125 K1231	L1013-I1040 HydrophobicContact CD2-CG2 4.15Å; L1013-I1040 WeakPolarHBondContact O-CB 3.39Å; L1013-I1040 PolarHBondContact O-N 2.85Å; I1040-K1042 PolarHBondContact O-N 3.16Å; I1040-E1043 WeakPolarHBondContact O-CB 3.32Å; I1040-E1043 PolarHBondContact O-N 3.18Å; I1040-E1043 VanDerWaalsContact O-N 3.11Å; I1040-L1044 HydrophobicContact CG1-CD1 4.35Å; I1040-L1044 HydrophobicContact CG1-CG 4.47Å; I1040-L1044 WeakPolarHBondContact O-CG 3.46Å; I1040-L1044 PolarHBondContact O-N 3.41Å; I1040-F1125 HydrophobicContact CG2-CZ 4.36Å; I1040-K1231 HydrophobicContact CD1-CD 3.49Å; I1040-K1231 VanDerWaalsContact CD1-CD 3.49Å; I1040-K1231 HydrophobicContact CD1-CG 4.14Å
1041	W	97	Very high	94.9	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-23.6	177.4	58.2	76.6	0	0	0	113.4	L1013 F1039 K1045 T1051 Y1053 F1070 P1074 T1075 F1125	L1013-W1041 HydrophobicContact CB-CZ3 4.18Å; L1013-W1041 HydrophobicContact CD1-CH2 4.13Å; L1013-W1041 HydrophobicContact CD1-CZ3 3.57Å; L1013-W1041 HydrophobicContact CD2-CE3 4.07Å; L1013-W1041 HydrophobicContact CD2-CZ3 3.79Å; L1013-W1041 HydrophobicContact CG-CZ3 4.04Å; F1039-W1041 HydrophobicContact CB-CD2 3.52Å; F1039-W1041 HydrophobicContact CB-CE3 3.97Å; F1039-W1041 HydrophobicContact CB-CG 4.12Å; F1039-W1041 HydrophobicContact CB-CH2 3.88Å; F1039-W1041 HydrophobicContact CB-CZ2 3.4Å; F1039-W1041 VanDerWaalsContact CB-CZ2 3.4Å; F1039-W1041 HydrophobicContact CB-CZ3 4.15Å; F1039-W1041 HydrophobicContact CD1-CE3 4.43Å; F1039-W1041 AromaticContact CD1-CH2 3.18Å; F1039-W1041 HydrophobicContact CD1-CH2 3.18Å; F1039-W1041 AromaticContact CD1-CZ2 3.4Å; F1039-W1041 HydrophobicContact CD1-CZ2 3.4Å; F1039-W1041 VanDerWaalsContact CD1-CZ2 3.4Å; F1039-W1041 AromaticContact CD1-CZ3 3.77Å; F1039-W1041 HydrophobicContact CD1-CZ3 3.77Å; F1039-W1041 AromaticContact CD2-CE2 3.85Å; F1039-W1041 HydrophobicContact CD2-CH2 4Å; F1039-W1041 AromaticContact CD2-CZ2 3.31Å; F1039-W1041 HydrophobicContact CD2-CZ2 3.31Å; F1039-W1041 AromaticContact CE1-CH2 3.51Å; F1039-W1041 HydrophobicContact CE1-CH2 3.51Å; F1039-W1041 AromaticContact CE1-CZ2 3.86Å; F1039-W1041 HydrophobicContact CE1-CZ2 3.86Å; F1039-W1041 HydrophobicContact CE1-CZ3 4.37Å; F1039-W1041 HydrophobicContact CE2-CH2 4.27Å; F1039-W1041 AromaticContact CE2-CZ2 3.78Å; F1039-W1041 HydrophobicContact CE2-CZ2 3.78Å; F1039-W1041 HydrophobicContact CG-CD2 4.18Å; F1039-W1041 AromaticContact CG-CE2 3.5Å; F1039-W1041 HydrophobicContact CG-CE3 4.44Å; F1039-W1041 AromaticContact CG-CH2 3.44Å; F1039-W1041 HydrophobicContact CG-CH2 3.44Å; F1039-W1041 VanDerWaalsContact CG-CH2 3.44Å; F1039-W1041 AromaticContact CG-CZ2 3.08Å; F1039-W1041 HydrophobicContact CG-CZ2 3.08Å; F1039-W1041 HydrophobicContact CG-CZ3 4.12Å; F1039-W1041 HydrophobicContact CZ-CH2 4.04Å; F1039-W1041 HydrophobicContact CZ-CZ2 4.02Å; F1039-W1041 PolarHBondContact O-N 3Å; F1039-W1041 VanDerWaalsContact O-N 3.15Å; W1041-K1045 WeakPolarHBondContact O-CB 3.25Å; W1041-K1045 PolarHBondContact O-N 3.45Å; W1041-T1051 HydrophobicContact CB-CG2 4.31Å; W1041-Y1053 HydrophobicContact CH2-CD2 4.12Å; W1041-Y1053 HydrophobicContact CH2-CE2 4.19Å; W1041-Y1053 HydrophobicContact CZ3-CD2 4.04Å; W1041-Y1053 HydrophobicContact CZ3-CE2 4.24Å; W1041-F1070 HydrophobicContact CZ2-CE1 4.43Å; W1041-F1070 HydrophobicContact CZ2-CZ 4.16Å; W1041-P1074 VanDerWaalsContact CD1-O 3.31Å; W1041-P1074 HydrophobicContact CZ2-CB 4.37Å; W1041-P1074 PolarHBondContact NE1-O 2.63Å; W1041-P1074 VanDerWaalsContact NE1-O 3.16Å; W1041-T1075 HydrophobicContact CB-CG2 4.45Å; W1041-T1075 HydrophobicContact CD2-CG2 4.34Å; W1041-T1075 HydrophobicContact CG-CG2 4.08Å; W1041-F1125 HydrophobicContact CB-CD1 3.9Å; W1041-F1125 HydrophobicContact CB-CE1 3.81Å; W1041-F1125 HydrophobicContact CE3-CE1 4.08Å; W1041-F1125 HydrophobicContact CE3-CZ 4.47Å
1042	K	96.3	Very high	95.4	Very high	93 Å²	93	36.5 Å²	36.5	40%	0.404	18%	0.181	S	C	.	.	H	α-helix	trans	-67.9	-40.9	173.6	-65.2	178.8	172.5	177.1	0	111.2	D1035 Y1037 F1039 I1040 R1046	D1035-K1042 PolarHBondContact O-NZ 2.97Å; Y1037-K1042 PolarHBondContact O-NZ 2.99Å; F1039-K1042 WeakPolarHBondContact O-CB 3.28Å; F1039-K1042 PolarHBondContact O-N 2.9Å; I1040-K1042 PolarHBondContact O-N 3.16Å; K1042-R1046 PolarHBondContact O-N 3.5Å
1043	E	94.9	Very high	95.7	Very high	62 Å²	62	34 Å²	34	29%	0.29	16%	0.164	S	C	.	.	H	α-helix	trans	-68.3	-42.7	175.3	-173.5	176.3	-177.3	0	0	111	I1040 R1046 L1047 K1231 L1234	I1040-E1043 WeakPolarHBondContact O-CB 3.32Å; I1040-E1043 PolarHBondContact O-N 3.18Å; I1040-E1043 VanDerWaalsContact O-N 3.11Å; E1043-R1046 WeakPolarHBondContact O-CB 3.35Å; E1043-R1046 PolarHBondContact O-N 3.33Å; E1043-L1047 WeakPolarHBondContact O-CG 3.41Å; E1043-L1047 PolarHBondContact O-N 3.42Å; E1043-L1047 VanDerWaalsContact O-N 3.13Å; E1043-K1231 IonicContact OE1-NZ 3.44Å; E1043-K1231 PolarHBondContact OE1-NZ 3.46Å; E1043-K1231 IonicContact OE2-NZ 3.26Å; E1043-K1231 PolarHBondContact OE2-NZ 3.15Å; E1043-L1234 HydrophobicContact CG-CD1 4.26Å
1044	L	95.6	Very high	95.9	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-62.7	-44.3	175.3	-65.6	172.6	0	0	0	111.9	I962 I1040 R1046 L1047 G1048 Y1049 F1125 L1234	I962-L1044 HydrophobicContact CD1-CD1 4.27Å; I962-L1044 HydrophobicContact CD1-CD2 4.38Å; I1040-L1044 HydrophobicContact CG1-CD1 4.35Å; I1040-L1044 HydrophobicContact CG1-CG 4.47Å; I1040-L1044 WeakPolarHBondContact O-CG 3.46Å; I1040-L1044 PolarHBondContact O-N 3.41Å; L1044-R1046 VanDerWaalsContact C-N 3.28Å; L1044-R1046 PolarHBondContact O-N 3.37Å; L1044-L1047 CarbonylContact O-C 3.58Å; L1044-L1047 WeakPolarHBondContact O-CA 3.46Å; L1044-L1047 WeakPolarHBondContact O-CB 3.25Å; L1044-L1047 PolarHBondContact O-N 3.2Å; L1044-G1048 PolarHBondContact O-N 2.65Å; L1044-Y1049 HydrophobicContact CB-CD1 4.39Å; L1044-Y1049 HydrophobicContact CB-CD2 4.08Å; L1044-Y1049 HydrophobicContact CB-CG 3.9Å; L1044-Y1049 HydrophobicContact CD2-CD1 4.42Å; L1044-Y1049 HydrophobicContact CD2-CD2 4.12Å; L1044-Y1049 HydrophobicContact CD2-CE1 4.26Å; L1044-Y1049 HydrophobicContact CD2-CE2 3.93Å; L1044-Y1049 HydrophobicContact CD2-CG 4.37Å; L1044-Y1049 WeakPolarHBondContact O-CB 3.25Å; L1044-Y1049 WeakPolarHBondContact O-CD2 3.36Å; L1044-Y1049 PolarHBondContact O-N 3.45Å; L1044-F1125 HydrophobicContact CD1-CB 3.91Å; L1044-F1125 HydrophobicContact CD1-CD1 4.43Å; L1044-F1125 HydrophobicContact CD1-CD2 3.36Å; L1044-F1125 HydrophobicContact CD1-CE2 3.99Å; L1044-F1125 HydrophobicContact CD1-CG 3.64Å; L1044-L1234 HydrophobicContact CD2-CD2 3.74Å
1045	K	94	Very high	96	Very high	96 Å²	96	30.6 Å²	30.6	42%	0.417	15%	0.149	S	C	.	.	H	α-helix	trans	-59.7	-39.5	175.5	-179.7	162.7	177.1	159.7	0	111.6	W1041 L1047 G1048 T1051 D1076	W1041-K1045 WeakPolarHBondContact O-CB 3.25Å; W1041-K1045 PolarHBondContact O-N 3.45Å; K1045-L1047 VanDerWaalsContact C-N 3.26Å; K1045-L1047 PolarHBondContact O-N 2.7Å; K1045-G1048 PolarHBondContact O-N 2.8Å; K1045-T1051 HydrophobicContact CB-CG2 4.04Å; K1045-D1076 WeakPolarHBondContact CE-OD1 3.46Å; K1045-D1076 IonicContact NZ-OD1 3.83Å; K1045-D1076 PolarHBondContact NZ-OD1 3.49Å
1046	R	92.3	Very high	95.9	Very high	158 Å²	158	28.9 Å²	28.9	60%	0.596	14%	0.14	S	C	*	.	H	α-helix	trans	-61.1	-34.4	173.6	-168.9	-171	63.7	69.9	0.9	112.3	D951 K1042 E1043 L1044 G1048	D951-R1046 IonicContact OD2-NH1 2.97Å; D951-R1046 PolarHBondContact OD2-NH1 3.39Å; K1042-R1046 PolarHBondContact O-N 3.5Å; E1043-R1046 WeakPolarHBondContact O-CB 3.35Å; E1043-R1046 PolarHBondContact O-N 3.33Å; L1044-R1046 VanDerWaalsContact C-N 3.28Å; L1044-R1046 PolarHBondContact O-N 3.37Å; R1046-G1048 PolarHBondContact O-N 3.48Å
1047	L	91.9	Very high	95.6	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.073	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	6.1	174.6	-64.1	172	0	0	0	113.4	D951 E1043 L1044 K1045 Y1049 L1234	D951-L1047 HydrophobicContact CB-CB 4.37Å; D951-L1047 HydrophobicContact CB-CD2 3.59Å; D951-L1047 PolarHBondContact N-O 3.35Å; E1043-L1047 WeakPolarHBondContact O-CG 3.41Å; E1043-L1047 PolarHBondContact O-N 3.42Å; E1043-L1047 VanDerWaalsContact O-N 3.13Å; L1044-L1047 CarbonylContact O-C 3.58Å; L1044-L1047 WeakPolarHBondContact O-CA 3.46Å; L1044-L1047 WeakPolarHBondContact O-CB 3.25Å; L1044-L1047 PolarHBondContact O-N 3.2Å; K1045-L1047 VanDerWaalsContact C-N 3.26Å; K1045-L1047 PolarHBondContact O-N 2.7Å; L1047-Y1049 HydrophobicContact CB-CD2 4.29Å; L1047-L1234 HydrophobicContact CD1-CD1 4.13Å; L1047-L1234 HydrophobicContact CD1-CD2 3.76Å; L1047-L1234 HydrophobicContact CD1-CG 4.42Å
1048	G	92.7	Very high	95.3	Very high	13 Å²	13	27.1 Å²	27.1	13%	0.134	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	22.4	178.8	0	0	0	0	0	114.4	L1044 K1045 R1046 Q1122	L1044-G1048 PolarHBondContact O-N 2.65Å; K1045-G1048 PolarHBondContact O-N 2.8Å; R1046-G1048 PolarHBondContact O-N 3.48Å; G1048-Q1122 PolarHBondContact O-NE2 3.44Å
1049	Y	95.5	Very high	94.7	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.02	12%	0.124	C	C	.	.			trans	-75.1	140	171.7	-80.2	-117.4	0	0	0	112.2	P959 L960 L1044 L1047 P1123 F1125	P959-Y1049 HydrophobicContact CB-CE2 3.71Å; P959-Y1049 WeakPolarHBondContact CB-OH 3.18Å; P959-Y1049 HydrophobicContact CG-CE2 4.44Å; L960-Y1049 VanDerWaalsContact O-CE1 3.3Å; L960-Y1049 WeakPolarHBondContact O-CE1 3.4Å; L960-Y1049 PolarHBondContact O-OH 3.02Å; L1044-Y1049 HydrophobicContact CB-CD1 4.39Å; L1044-Y1049 HydrophobicContact CB-CD2 4.08Å; L1044-Y1049 HydrophobicContact CB-CG 3.9Å; L1044-Y1049 HydrophobicContact CD2-CD1 4.42Å; L1044-Y1049 HydrophobicContact CD2-CD2 4.12Å; L1044-Y1049 HydrophobicContact CD2-CE1 4.26Å; L1044-Y1049 HydrophobicContact CD2-CE2 3.93Å; L1044-Y1049 HydrophobicContact CD2-CG 4.37Å; L1044-Y1049 WeakPolarHBondContact O-CB 3.25Å; L1044-Y1049 WeakPolarHBondContact O-CD2 3.36Å; L1044-Y1049 PolarHBondContact O-N 3.45Å; L1047-Y1049 HydrophobicContact CB-CD2 4.29Å; Y1049-P1123 CarbonylContact C-O 3.55Å; Y1049-P1123 WeakPolarHBondContact CA-O 3.47Å; Y1049-P1123 HydrophobicContact CD1-CB 3.84Å; Y1049-P1123 HydrophobicContact CD2-CB 3.98Å; Y1049-P1123 HydrophobicContact CD2-CG 3.93Å; Y1049-P1123 HydrophobicContact CE1-CB 3.73Å; Y1049-P1123 HydrophobicContact CE2-CB 3.89Å; Y1049-P1123 HydrophobicContact CE2-CG 4.12Å; Y1049-P1123 HydrophobicContact CG-CB 3.96Å; Y1049-P1123 HydrophobicContact CG-CG 4.13Å; Y1049-F1125 HydrophobicContact CD1-CB 4.02Å
1050	A	96.8	Very high	94	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.8	159.2	0	0	0	0	0	108.6	V946 F1114 Y1118 Q1122 P1123 K1124 F1125	V946-A1050 HydrophobicContact CG1-CB 3.63Å; A1050-F1114 HydrophobicContact CB-CE2 3.86Å; A1050-F1114 HydrophobicContact CB-CZ 3.7Å; A1050-Y1118 HydrophobicContact CB-CD1 4.38Å; A1050-Y1118 HydrophobicContact CB-CD2 4.21Å; A1050-Y1118 HydrophobicContact CB-CE1 4.38Å; A1050-Y1118 HydrophobicContact CB-CE2 4.22Å; A1050-Y1118 HydrophobicContact CB-CG 4.3Å; A1050-Q1122 HydrophobicContact CB-CG 4.24Å; A1050-P1123 PolarHBondContact N-O 3.14Å; A1050-K1124 HydrophobicContact CB-CG 4.46Å; A1050-F1125 PolarHBondContact O-N 3.37Å
1051	T	97.9	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.6	-172.6	61.1	0	0	0	0	113.2	W1041 K1045 T1075 D1076 H1077 F1125	W1041-T1051 HydrophobicContact CB-CG2 4.31Å; K1045-T1051 HydrophobicContact CB-CG2 4.04Å; T1051-T1075 WeakPolarHBondContact OG1-CA 3.34Å; T1051-T1075 WeakPolarHBondContact OG1-CB 3.47Å; T1051-D1076 PolarHBondContact N-OD2 3.01Å; T1051-D1076 WeakPolarHBondContact O-CB 3.48Å; T1051-D1076 PolarHBondContact O-N 2.61Å; T1051-D1076 VanDerWaalsContact O-N 3.09Å; T1051-D1076 PolarHBondContact OG1-N 2.78Å; T1051-D1076 PolarHBondContact OG1-OD2 3.09Å; T1051-H1077 PolarHBondContact O-N 3.22Å; T1051-F1125 CarbonylContact C-O 3.46Å; T1051-F1125 WeakPolarHBondContact CA-O 3.39Å; T1051-F1125 HydrophobicContact CG2-CB 4.45Å
1052	L	98.5	Very high	93.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.3	177.9	-177.6	153.5	0	0	0	111.4	I940 A1054 H1077 Y1110 V1111 F1114 F1125 A1126 F1127	I940-L1052 HydrophobicContact CD1-CD1 4.06Å; L1052-A1054 HydrophobicContact CD2-CB 3.93Å; L1052-H1077 WeakPolarHBondContact CA-O 3.22Å; L1052-H1077 HydrophobicContact CB-CB 4.05Å; L1052-H1077 HydrophobicContact CD1-CB 3.96Å; L1052-H1077 HydrophobicContact CG-CB 3.9Å; L1052-Y1110 HydrophobicContact CD1-CD1 3.88Å; L1052-Y1110 HydrophobicContact CD1-CE1 3.68Å; L1052-Y1110 HydrophobicContact CG-CE1 4.1Å; L1052-V1111 HydrophobicContact CD2-CG2 4Å; L1052-F1114 HydrophobicContact CB-CD1 4.21Å; L1052-F1114 HydrophobicContact CB-CD2 4.46Å; L1052-F1114 HydrophobicContact CB-CE1 4.03Å; L1052-F1114 HydrophobicContact CB-CE2 4.32Å; L1052-F1114 HydrophobicContact CB-CG 4.42Å; L1052-F1114 HydrophobicContact CB-CZ 4.1Å; L1052-F1114 HydrophobicContact CD1-CB 3.69Å; L1052-F1114 HydrophobicContact CD1-CD1 3.98Å; L1052-F1114 HydrophobicContact CD1-CD2 4.02Å; L1052-F1114 HydrophobicContact CD1-CG 3.64Å; L1052-F1125 PolarHBondContact N-O 3.48Å; L1052-A1126 HydrophobicContact CB-CB 4.48Å; L1052-A1126 HydrophobicContact CD2-CB 4.44Å; L1052-F1127 PolarHBondContact O-N 3.26Å
1053	Y	98.2	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122.5	170.4	-173.1	-71.6	0	0	0	109.8	W1041 E1055 Y1063 T1075 H1077 Y1078 L1079 F1127	W1041-Y1053 HydrophobicContact CH2-CD2 4.12Å; W1041-Y1053 HydrophobicContact CH2-CE2 4.19Å; W1041-Y1053 HydrophobicContact CZ3-CD2 4.04Å; W1041-Y1053 HydrophobicContact CZ3-CE2 4.24Å; Y1053-E1055 HydrophobicContact CD1-CB 4.44Å; Y1053-E1055 HydrophobicContact CE1-CB 3.64Å; Y1053-E1055 PolarHBondContact OH-OE2 3.11Å; Y1053-Y1063 HydrophobicContact CE2-CE2 4.03Å; Y1053-Y1063 AromaticContact CZ-CE2 3.92Å; Y1053-Y1063 WeakPolarHBondContact OH-CE2 3.42Å; Y1053-T1075 WeakPolarHBondContact CB-OG1 3.49Å; Y1053-T1075 PolarHBondContact N-OG1 3.35Å; Y1053-H1077 PolarHBondContact N-O 3.05Å; Y1053-Y1078 AromaticContact CD1-CD2 3.82Å; Y1053-Y1078 HydrophobicContact CD1-CD2 3.82Å; Y1053-Y1078 AromaticContact CD1-CE2 3.49Å; Y1053-Y1078 HydrophobicContact CD1-CE2 3.49Å; Y1053-Y1078 VanDerWaalsContact CD1-CE2 3.49Å; Y1053-Y1078 HydrophobicContact CE1-CE2 4.04Å; Y1053-Y1078 HydrophobicContact CG-CD2 4.3Å; Y1053-Y1078 HydrophobicContact CG-CE2 4.26Å; Y1053-Y1078 WeakPolarHBondContact O-CA 3.22Å; Y1053-Y1078 WeakPolarHBondContact O-CD2 3.45Å; Y1053-L1079 PolarHBondContact O-N 3.15Å; Y1053-L1079 VanDerWaalsContact O-N 3.1Å; Y1053-F1127 CarbonylContact C-O 3Å; Y1053-F1127 WeakPolarHBondContact CA-O 3.47Å; Y1053-F1127 HydrophobicContact CD2-CB 4.34Å; Y1053-F1127 AromaticContact CD2-CD1 3.73Å; Y1053-F1127 HydrophobicContact CD2-CD1 3.73Å; Y1053-F1127 HydrophobicContact CD2-CE1 4.46Å; Y1053-F1127 HydrophobicContact CD2-CG 4.3Å; Y1053-F1127 AromaticContact CE2-CD1 3.48Å; Y1053-F1127 HydrophobicContact CE2-CD1 3.48Å; Y1053-F1127 VanDerWaalsContact CE2-CD1 3.48Å; Y1053-F1127 AromaticContact CE2-CE1 3.77Å; Y1053-F1127 HydrophobicContact CE2-CE1 3.77Å; Y1053-F1127 HydrophobicContact CE2-CG 4.34Å; Y1053-F1127 HydrophobicContact CG-CD1 4.43Å
1054	A	98	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	120.8	179.5	0	0	0	0	0	111	L1052 L1079 F1127 Q1128 F1129	L1052-A1054 HydrophobicContact CD2-CB 3.93Å; A1054-L1079 HydrophobicContact CB-CB 3.8Å; A1054-L1079 HydrophobicContact CB-CD2 3.81Å; A1054-L1079 HydrophobicContact CB-CG 4.45Å; A1054-F1127 PolarHBondContact N-O 3.43Å; A1054-Q1128 HydrophobicContact CB-CG 4.25Å; A1054-Q1128 CarbonylContact O-C 3.52Å; A1054-Q1128 WeakPolarHBondContact O-CA 3.48Å; A1054-F1129 PolarHBondContact O-N 2.98Å
1055	E	95.9	Very high	92.6	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.7	176.8	-175.1	-175.7	-160	0	0	108.2	Y1053 T1062 F1129	Y1053-E1055 HydrophobicContact CD1-CB 4.44Å; Y1053-E1055 HydrophobicContact CE1-CB 3.64Å; Y1053-E1055 PolarHBondContact OH-OE2 3.11Å; E1055-T1062 VanDerWaalsContact OE1-CB 3.29Å; E1055-T1062 WeakPolarHBondContact OE1-CB 3.34Å; E1055-T1062 PolarHBondContact OE1-N 3.48Å; E1055-T1062 PolarHBondContact OE1-OG1 2.84Å; E1055-T1062 PolarHBondContact OE2-N 2.77Å; E1055-F1129 WeakPolarHBondContact CA-O 3.43Å; E1055-F1129 HydrophobicContact CG-CB 4.49Å; E1055-F1129 HydrophobicContact CG-CD1 4.33Å
1056	D	94	Very high	92.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.119	C	C	.	.			trans	-92.1	-167.7	174.4	64	0.9	0	0	0	112.3	Q1058 Y1083 Q1103 S1131 M1132	D1056-Q1058 PolarHBondContact O-N 3.22Å; D1056-Y1083 HydrophobicContact CB-CD2 4.27Å; D1056-Y1083 HydrophobicContact CB-CE2 3.69Å; D1056-Q1103 PolarHBondContact OD2-NE2 2.94Å; D1056-S1131 VanDerWaalsContact CG-N 3.31Å; D1056-S1131 WeakPolarHBondContact OD1-CA 3.37Å; D1056-S1131 VanDerWaalsContact OD1-CB 3.23Å; D1056-S1131 WeakPolarHBondContact OD1-CB 3.2Å; D1056-S1131 PolarHBondContact OD1-N 2.85Å; D1056-S1131 PolarHBondContact OD1-OG 3.39Å; D1056-S1131 PolarHBondContact OD2-N 3.18Å; D1056-S1131 VanDerWaalsContact OD2-N 3.16Å; D1056-M1132 WeakPolarHBondContact OD2-CB 3.2Å; D1056-M1132 PolarHBondContact OD2-N 3.16Å
1057	M	90.3	Very high	92	Very high	3 Å²	3	18 Å²	18	2%	0.015	9%	0.091	C	C	.	.			trans	48.1	53.2	179.2	-64.8	-165.2	75.1	0	0	114.1	S1059 I1060 G1061 Q1094 M1132 H1135	M1057-S1059 PolarHBondContact O-N 3.09Å; M1057-I1060 HydrophobicContact CB-CD1 4.39Å; M1057-I1060 HydrophobicContact CB-CG1 3.89Å; M1057-I1060 HydrophobicContact CE-CD1 3.45Å; M1057-I1060 VanDerWaalsContact CE-CD1 3.45Å; M1057-I1060 HydrophobicContact CE-CG1 3.99Å; M1057-I1060 PolarHBondContact O-N 2.7Å; M1057-I1060 HydrophobicContact SD-CD1 3.95Å; M1057-I1060 HydrophobicContact SD-CG1 4.47Å; M1057-G1061 PolarHBondContact O-N 2.73Å; M1057-Q1094 HydrophobicContact CE-CG 4.28Å; M1057-Q1094 VanDerWaalsContact CE-NE2 3.29Å; M1057-M1132 HydrophobicContact CG-CB 4.25Å; M1057-M1132 HydrophobicContact CG-CE 3.89Å; M1057-M1132 HydrophobicContact CG-SD 4.05Å; M1057-M1132 HydrophobicContact SD-SD 4.48Å; M1057-H1135 HydrophobicContact SD-CB 4.26Å
1058	Q	89	Confident	92	Very high	34 Å²	34	19.8 Å²	19.8	16%	0.159	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-50.7	-26.2	-171.8	66.8	79.8	26.4	0	0	115.6	D1056 I1060 R1080 Q1084 E1087	D1056-Q1058 PolarHBondContact O-N 3.22Å; Q1058-I1060 VanDerWaalsContact C-N 3.32Å; Q1058-I1060 PolarHBondContact O-N 2.97Å; Q1058-R1080 HydrophobicContact CB-CG 4.14Å; Q1058-Q1084 HydrophobicContact CG-CB 4.46Å; Q1058-E1087 WeakPolarHBondContact CG-OE2 3.45Å; Q1058-E1087 PolarHBondContact NE2-OE2 2.85Å
1059	S	83.3	Confident	92	Very high	55 Å²	55	19.2 Å²	19.2	39%	0.385	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-69.4	-25.1	178.9	56.7	0	0	0	0	114.2	M1057	M1057-S1059 PolarHBondContact O-N 3.09Å
1060	I	85.4	Confident	92	Very high	60 Å²	60	19.1 Å²	19.1	31%	0.308	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-122.9	18	178.1	61.4	167.1	0	0	0	112.7	M1057 Q1058 Y1065	M1057-I1060 HydrophobicContact CB-CD1 4.39Å; M1057-I1060 HydrophobicContact CB-CG1 3.89Å; M1057-I1060 HydrophobicContact CE-CD1 3.45Å; M1057-I1060 VanDerWaalsContact CE-CD1 3.45Å; M1057-I1060 HydrophobicContact CE-CG1 3.99Å; M1057-I1060 PolarHBondContact O-N 2.7Å; M1057-I1060 HydrophobicContact SD-CD1 3.95Å; M1057-I1060 HydrophobicContact SD-CG1 4.47Å; Q1058-I1060 VanDerWaalsContact C-N 3.32Å; Q1058-I1060 PolarHBondContact O-N 2.97Å; I1060-Y1065 HydrophobicContact CG2-CD2 4.29Å; I1060-Y1065 HydrophobicContact CG2-CE2 4.45Å
1061	G	89.2	Confident	91.9	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.021	12%	0.118	C	C	.	.			trans	-54	146.8	-177.3	0	0	0	0	0	113.9	M1057 Y1063 T1064 Y1065	M1057-G1061 PolarHBondContact O-N 2.73Å; G1061-Y1063 VanDerWaalsContact C-N 3.27Å; G1061-Y1063 PolarHBondContact O-N 2.83Å; G1061-Y1063 VanDerWaalsContact O-N 3.13Å; G1061-T1064 PolarHBondContact O-N 3.31Å; G1061-T1064 VanDerWaalsContact O-N 3.08Å; G1061-T1064 PolarHBondContact O-OG1 3.16Å; G1061-Y1065 PolarHBondContact O-N 2.9Å
1062	T	91.3	Very high	91.8	Very high	10 Å²	10	32 Å²	32	6%	0.061	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-44.7	-168.6	-62.7	0	0	0	0	112.8	T1005 P1006 L1009 E1055 F1067	T1005-T1062 HydrophobicContact CG2-CG2 4.11Å; T1005-T1062 VanDerWaalsContact CG2-OG1 3.29Å; T1005-T1062 WeakPolarHBondContact CG2-OG1 3.49Å; P1006-T1062 HydrophobicContact CG-CG2 4.14Å; L1009-T1062 HydrophobicContact CD1-CG2 4.18Å; E1055-T1062 VanDerWaalsContact OE1-CB 3.29Å; E1055-T1062 WeakPolarHBondContact OE1-CB 3.34Å; E1055-T1062 PolarHBondContact OE1-N 3.48Å; E1055-T1062 PolarHBondContact OE1-OG1 2.84Å; E1055-T1062 PolarHBondContact OE2-N 2.77Å; T1062-F1067 WeakPolarHBondContact O-CD2 3.5Å; T1062-F1067 WeakPolarHBondContact O-CE2 3.27Å
1063	Y	93.5	Very high	91.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	3.8	-175.1	-53.4	-64.1	0	0	0	114.3	L1010 L1013 F1039 Y1053 G1061 F1067 G1069 F1070	L1010-Y1063 HydrophobicContact CD2-CE1 3.72Å; L1010-Y1063 HydrophobicContact CG-CE1 4.25Å; L1013-Y1063 WeakPolarHBondContact CD1-OH 3.38Å; F1039-Y1063 HydrophobicContact CE1-CE1 4.17Å; F1039-Y1063 AromaticContact CE1-CZ 3.9Å; F1039-Y1063 HydrophobicContact CZ-CE1 4.12Å; Y1053-Y1063 HydrophobicContact CE2-CE2 4.03Å; Y1053-Y1063 AromaticContact CZ-CE2 3.92Å; Y1053-Y1063 WeakPolarHBondContact OH-CE2 3.42Å; G1061-Y1063 VanDerWaalsContact C-N 3.27Å; G1061-Y1063 PolarHBondContact O-N 2.83Å; G1061-Y1063 VanDerWaalsContact O-N 3.13Å; Y1063-F1067 WeakPolarHBondContact O-CB 3.3Å; Y1063-G1069 VanDerWaalsContact O-CA 3.22Å; Y1063-G1069 WeakPolarHBondContact O-CA 3.3Å; Y1063-G1069 PolarHBondContact O-N 2.74Å; Y1063-F1070 AromaticContact CD2-CE2 3.74Å; Y1063-F1070 HydrophobicContact CD2-CE2 3.74Å; Y1063-F1070 HydrophobicContact CD2-CZ 4.05Å; Y1063-F1070 HydrophobicContact CG-CE2 4.05Å; Y1063-F1070 HydrophobicContact CG-CZ 4.33Å
1064	T	90.6	Very high	91.5	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-20.8	-175.7	53.1	0	0	0	0	113.9	D898 G1061	D898-T1064 HydrophobicContact CB-CG2 3.81Å; D898-T1064 VanDerWaalsContact CG-CG2 3.41Å; D898-T1064 WeakPolarHBondContact OD2-CG2 3.48Å; G1061-T1064 PolarHBondContact O-N 3.31Å; G1061-T1064 VanDerWaalsContact O-N 3.08Å; G1061-T1064 PolarHBondContact O-OG1 3.16Å
1065	Y	86.3	Confident	91.4	Very high	120 Å²	120	36.7 Å²	36.7	47%	0.471	17%	0.173	S	C	.	.	S	Bend	trans	-64	-59.4	179.9	-178.5	-119.2	0	0	0	111.8	I1060 G1061 M1402	I1060-Y1065 HydrophobicContact CG2-CD2 4.29Å; I1060-Y1065 HydrophobicContact CG2-CE2 4.45Å; G1061-Y1065 PolarHBondContact O-N 2.9Å; Y1065-M1402 HydrophobicContact CE1-CE 4.42Å
1066	R	85.6	Confident	91.5	Very high	47 Å²	47	36.7 Å²	36.7	18%	0.177	17%	0.173	C	C	.	.	S	Bend	trans	-111	-14.1	-177.9	65.8	-173.4	179.4	91.4	-11.8	114.9	P1006 E1018 R1025 R1026 Y1407	P1006-R1066 VanDerWaalsContact CB-NH2 3.31Å; E1018-R1066 IonicContact OE1-CZ 3.82Å; E1018-R1066 IonicContact OE1-NH1 2.95Å; E1018-R1066 PolarHBondContact OE1-NH1 2.81Å; E1018-R1066 IonicContact OE1-NH2 3.77Å; E1018-R1066 IonicContact OE2-CZ 2.83Å; E1018-R1066 IonicContact OE2-NH1 3.87Å; E1018-R1066 PolarHBondContact OE2-NH1 3.28Å; E1018-R1066 IonicContact OE2-NH2 3.59Å; E1018-R1066 PolarHBondContact OE2-NH2 3.13Å; R1025-R1066 WeakPolarHBondContact CA-O 3.36Å; R1026-R1066 PolarHBondContact N-O 3.18Å; R1066-Y1407 PolarHBondContact NH1-OH 3.46Å; R1066-Y1407 VanDerWaalsContact NH1-OH 3.07Å
1067	F	89.4	Confident	91.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-99.8	161	178.2	-53.4	-80.5	0	0	0	111.3	P1006 L1010 E1018 T1024 R1025 R1026 V1034 T1062 Y1063 G1069	P1006-F1067 HydrophobicContact CB-CE2 4.12Å; P1006-F1067 HydrophobicContact CB-CZ 4.28Å; P1006-F1067 HydrophobicContact CG-CE2 4.07Å; L1010-F1067 HydrophobicContact CD1-CZ 4.44Å; E1018-F1067 HydrophobicContact CG-CE1 4.08Å; E1018-F1067 HydrophobicContact CG-CZ 4.25Å; E1018-F1067 WeakPolarHBondContact OE1-CE1 3.23Å; T1024-F1067 CarbonylContact O-C 3.53Å; T1024-F1067 WeakPolarHBondContact O-CA 3.06Å; T1024-F1067 WeakPolarHBondContact OG1-CD1 3.36Å; R1025-F1067 HydrophobicContact CG-CD1 4.23Å; R1025-F1067 HydrophobicContact CG-CE1 4.37Å; R1026-F1067 WeakPolarHBondContact CD-O 3.49Å; R1026-F1067 WeakPolarHBondContact CG-O 3.36Å; V1034-F1067 HydrophobicContact CG1-CB 3.79Å; V1034-F1067 HydrophobicContact CG1-CG 4.27Å; T1062-F1067 WeakPolarHBondContact O-CD2 3.5Å; T1062-F1067 WeakPolarHBondContact O-CE2 3.27Å; Y1063-F1067 WeakPolarHBondContact O-CB 3.3Å; F1067-G1069 PolarHBondContact O-N 2.74Å
1068	K	90.5	Very high	92	Very high	51 Å²	51	36.6 Å²	36.6	22%	0.222	17%	0.173	C	C	.	.			trans	-65.5	-0.9	-179.8	-79	-169.8	172.5	-177.2	0	114.4	F899 T1024 R1026 A1031 F1033	F899-K1068 WeakPolarHBondContact CE2-O 3.4Å; T1024-K1068 PolarHBondContact O-N 3.1Å; R1026-K1068 HydrophobicContact CG-CG 4.17Å; A1031-K1068 HydrophobicContact CB-CD 4.1Å; A1031-K1068 WeakPolarHBondContact O-CE 3.5Å; A1031-K1068 PolarHBondContact O-NZ 3.34Å; F1033-K1068 HydrophobicContact CD1-CB 3.97Å; F1033-K1068 WeakPolarHBondContact CD1-O 3.46Å; F1033-K1068 HydrophobicContact CE1-CB 4.38Å; F1033-K1068 HydrophobicContact CG-CB 4.37Å
1069	G	93.4	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.			trans	69.2	-176.6	-174.3	0	0	0	0	0	112.3	D898 F1033 V1034 Y1063 F1067	D898-G1069 WeakPolarHBondContact OD2-CA 3.44Å; F1033-G1069 WeakPolarHBondContact CB-O 3.17Å; F1033-G1069 WeakPolarHBondContact CD1-O 2.92Å; V1034-G1069 VanDerWaalsContact CG2-C 3.43Å; V1034-G1069 VanDerWaalsContact CG2-O 3.26Å; V1034-G1069 WeakPolarHBondContact CG2-O 3.47Å; V1034-G1069 PolarHBondContact N-O 2.9Å; V1034-G1069 VanDerWaalsContact N-O 3.07Å; Y1063-G1069 VanDerWaalsContact O-CA 3.22Å; Y1063-G1069 WeakPolarHBondContact O-CA 3.3Å; Y1063-G1069 PolarHBondContact O-N 2.74Å; F1067-G1069 PolarHBondContact O-N 2.74Å
1070	F	96	Very high	92.9	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	15%	0.148	C	C	.	.			trans	-85.2	132.2	172.3	-65.6	-80.5	0	0	0	110.3	D898 V1034 D1035 F1039 W1041 Y1063 E1072 P1074	D898-F1070 PolarHBondContact N-O 2.88Å; D898-F1070 WeakPolarHBondContact OD2-CD2 3.37Å; D898-F1070 PolarHBondContact OD2-N 3.49Å; V1034-F1070 HydrophobicContact CB-CE1 4.4Å; V1034-F1070 HydrophobicContact CG2-CB 4.43Å; V1034-F1070 HydrophobicContact CG2-CD1 3.43Å; V1034-F1070 VanDerWaalsContact CG2-CD1 3.43Å; V1034-F1070 HydrophobicContact CG2-CD2 3.84Å; V1034-F1070 HydrophobicContact CG2-CE1 3.45Å; V1034-F1070 VanDerWaalsContact CG2-CE1 3.45Å; V1034-F1070 HydrophobicContact CG2-CE2 3.84Å; V1034-F1070 HydrophobicContact CG2-CG 3.63Å; V1034-F1070 HydrophobicContact CG2-CZ 3.65Å; D1035-F1070 WeakPolarHBondContact OD2-CA 3.45Å; F1039-F1070 HydrophobicContact CD2-CE1 4.27Å; F1039-F1070 AromaticContact CE2-CE1 3.57Å; F1039-F1070 HydrophobicContact CE2-CE1 3.57Å; F1039-F1070 AromaticContact CE2-CZ 3.78Å; F1039-F1070 HydrophobicContact CE2-CZ 3.78Å; F1039-F1070 HydrophobicContact CZ-CE1 4.2Å; F1039-F1070 AromaticContact CZ-CZ 3.94Å; F1039-F1070 HydrophobicContact CZ-CZ 3.94Å; W1041-F1070 HydrophobicContact CZ2-CE1 4.43Å; W1041-F1070 HydrophobicContact CZ2-CZ 4.16Å; Y1063-F1070 AromaticContact CD2-CE2 3.74Å; Y1063-F1070 HydrophobicContact CD2-CE2 3.74Å; Y1063-F1070 HydrophobicContact CD2-CZ 4.05Å; Y1063-F1070 HydrophobicContact CG-CE2 4.05Å; Y1063-F1070 HydrophobicContact CG-CZ 4.33Å; F1070-E1072 WeakPolarHBondContact CB-O 3.41Å; F1070-P1074 HydrophobicContact CD1-CB 3.74Å; F1070-P1074 HydrophobicContact CD1-CG 4.27Å; F1070-P1074 HydrophobicContact CD2-CB 4.3Å; F1070-P1074 HydrophobicContact CD2-CG 4Å; F1070-P1074 HydrophobicContact CE1-CB 3.66Å; F1070-P1074 HydrophobicContact CE1-CG 4.38Å; F1070-P1074 HydrophobicContact CE2-CB 4.22Å; F1070-P1074 HydrophobicContact CE2-CG 4.12Å; F1070-P1074 HydrophobicContact CG-CB 4.08Å; F1070-P1074 HydrophobicContact CG-CG 4.08Å; F1070-P1074 HydrophobicContact CZ-CB 3.91Å; F1070-P1074 HydrophobicContact CZ-CG 4.32Å
1071	K	94.3	Very high	93.3	Very high	128 Å²	128	29.8 Å²	29.8	56%	0.557	13%	0.133	S	C	*	.	S	Bend	trans	-81.6	-38.7	170.8	-170.3	-178.7	178.7	-169.7	0	110.9	F1033 D1035	F1033-K1071 HydrophobicContact CB-CB 4.13Å; F1033-K1071 HydrophobicContact CD1-CB 3.84Å; F1033-K1071 HydrophobicContact CD2-CB 4.05Å; F1033-K1071 HydrophobicContact CD2-CD 4.09Å; F1033-K1071 HydrophobicContact CD2-CG 4.46Å; F1033-K1071 HydrophobicContact CE1-CB 4.22Å; F1033-K1071 HydrophobicContact CE2-CB 4.41Å; F1033-K1071 HydrophobicContact CE2-CD 4.04Å; F1033-K1071 HydrophobicContact CE2-CG 4.41Å; F1033-K1071 HydrophobicContact CG-CB 3.76Å; F1033-K1071 HydrophobicContact CZ-CB 4.49Å; F1033-K1071 HydrophobicContact CZ-CG 4.48Å; D1035-K1071 PolarHBondContact OD1-N 2.9Å; D1035-K1071 PolarHBondContact OD2-N 2.91Å
1072	E	94.7	Very high	93.6	Very high	143 Å²	143	29.7 Å²	29.7	67%	0.668	13%	0.132	S	C	*	.	S	Bend	trans	-110	155.6	175.8	-62.9	-179.8	-174.5	0	0	110.6	D1035 F1070 P1074	D1035-E1072 PolarHBondContact OD1-N 3.35Å; F1070-E1072 WeakPolarHBondContact CB-O 3.41Å; E1072-P1074 WeakPolarHBondContact O-CD 3.29Å
1073	Q	95.1	Very high	93.8	Very high	79 Å²	79	29.6 Å²	29.6	37%	0.369	13%	0.131	S	C	.	.			trans	-64.2	123.1	-179.6	-163.7	179.8	-83.6	0	0	110.3	F895 T1075 D1076 Y1078	F895-Q1073 HydrophobicContact CD1-CB 3.85Å; F895-Q1073 HydrophobicContact CD1-CG 4.29Å; F895-Q1073 HydrophobicContact CE1-CB 4.11Å; F895-Q1073 HydrophobicContact CG-CB 4.4Å; F895-Q1073 HydrophobicContact CG-CG 4.34Å; Q1073-T1075 WeakPolarHBondContact CG-O 3.21Å; Q1073-T1075 PolarHBondContact NE2-O 2.93Å; Q1073-T1075 PolarHBondContact O-N 3.23Å; Q1073-D1076 PolarHBondContact NE2-O 2.86Å; Q1073-Y1078 HydrophobicContact CG-CD1 4.36Å; Q1073-Y1078 HydrophobicContact CG-CG 4.45Å
1074	P	95.7	Very high	93.7	Very high	19 Å²	19	30.6 Å²	30.6	12%	0.123	14%	0.135	C	C	.	.	S	Bend	trans	-72.9	-26.2	-167.7	25.6	-34.9	0	0	0	114.8	W1041 F1070 E1072 Y1078	W1041-P1074 VanDerWaalsContact CD1-O 3.31Å; W1041-P1074 HydrophobicContact CZ2-CB 4.37Å; W1041-P1074 PolarHBondContact NE1-O 2.63Å; W1041-P1074 VanDerWaalsContact NE1-O 3.16Å; F1070-P1074 HydrophobicContact CD1-CB 3.74Å; F1070-P1074 HydrophobicContact CD1-CG 4.27Å; F1070-P1074 HydrophobicContact CD2-CB 4.3Å; F1070-P1074 HydrophobicContact CD2-CG 4Å; F1070-P1074 HydrophobicContact CE1-CB 3.66Å; F1070-P1074 HydrophobicContact CE1-CG 4.38Å; F1070-P1074 HydrophobicContact CE2-CB 4.22Å; F1070-P1074 HydrophobicContact CE2-CG 4.12Å; F1070-P1074 HydrophobicContact CG-CB 4.08Å; F1070-P1074 HydrophobicContact CG-CG 4.08Å; F1070-P1074 HydrophobicContact CZ-CB 3.91Å; F1070-P1074 HydrophobicContact CZ-CG 4.32Å; E1072-P1074 WeakPolarHBondContact O-CD 3.29Å; P1074-Y1078 HydrophobicContact CG-CD1 4.28Å; P1074-Y1078 HydrophobicContact CG-CD2 3.95Å; P1074-Y1078 HydrophobicContact CG-CE1 4.38Å; P1074-Y1078 HydrophobicContact CG-CE2 4.06Å; P1074-Y1078 HydrophobicContact CG-CG 4.07Å
1075	T	96.8	Very high	93.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	14%	0.138	C	C	.	.	S	Bend	trans	-138.9	166.9	-177	49.7	0	0	0	0	109.6	W1041 T1051 Y1053 Q1073 H1077	W1041-T1075 HydrophobicContact CB-CG2 4.45Å; W1041-T1075 HydrophobicContact CD2-CG2 4.34Å; W1041-T1075 HydrophobicContact CG-CG2 4.08Å; T1051-T1075 WeakPolarHBondContact OG1-CA 3.34Å; T1051-T1075 WeakPolarHBondContact OG1-CB 3.47Å; Y1053-T1075 WeakPolarHBondContact CB-OG1 3.49Å; Y1053-T1075 PolarHBondContact N-OG1 3.35Å; Q1073-T1075 WeakPolarHBondContact CG-O 3.21Å; Q1073-T1075 PolarHBondContact NE2-O 2.93Å; Q1073-T1075 PolarHBondContact O-N 3.23Å; T1075-H1077 PolarHBondContact O-N 2.69Å; T1075-H1077 PolarHBondContact OG1-O 3.41Å
1076	D	96.3	Very high	94.2	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.043	12%	0.116	C	C	.	.	S	Bend	trans	-62.6	-33.2	179.7	-53.8	-61.8	0	0	0	112.1	K943 V946 K1045 T1051 Q1073	K943-D1076 HydrophobicContact CG-CB 4.4Å; V946-D1076 HydrophobicContact CG2-CB 4.35Å; K1045-D1076 WeakPolarHBondContact CE-OD1 3.46Å; K1045-D1076 IonicContact NZ-OD1 3.83Å; K1045-D1076 PolarHBondContact NZ-OD1 3.49Å; T1051-D1076 PolarHBondContact N-OD2 3.01Å; T1051-D1076 WeakPolarHBondContact O-CB 3.48Å; T1051-D1076 PolarHBondContact O-N 2.61Å; T1051-D1076 VanDerWaalsContact O-N 3.09Å; T1051-D1076 PolarHBondContact OG1-N 2.78Å; T1051-D1076 PolarHBondContact OG1-OD2 3.09Å; Q1073-D1076 PolarHBondContact NE2-O 2.86Å
1077	H	97.7	Very high	94.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.3	177.7	-61.9	-70.4	0	0	0	109.9	D918 I940 V941 T1051 L1052 Y1053 T1075 Y1110 F1114 Y1118	D918-H1077 IonicContact OD1-ND1 3.74Å; D918-H1077 IonicContact OD2-CE1 2.91Å; D918-H1077 IonicContact OD2-CG 3.9Å; D918-H1077 IonicContact OD2-ND1 2.85Å; D918-H1077 PolarHBondContact OD2-ND1 2.86Å; I940-H1077 HydrophobicContact CD1-CB 4.15Å; V941-H1077 PolarHBondContact O-CE1 3.02Å; T1051-H1077 PolarHBondContact O-N 3.22Å; L1052-H1077 WeakPolarHBondContact CA-O 3.22Å; L1052-H1077 HydrophobicContact CB-CB 4.05Å; L1052-H1077 HydrophobicContact CD1-CB 3.96Å; L1052-H1077 HydrophobicContact CG-CB 3.9Å; Y1053-H1077 PolarHBondContact N-O 3.05Å; T1075-H1077 PolarHBondContact O-N 2.69Å; T1075-H1077 PolarHBondContact OG1-O 3.41Å; H1077-Y1110 HydrophobicContact CB-CE1 4.45Å; H1077-Y1110 WeakPolarHBondContact CB-OH 3.33Å; H1077-F1114 AromaticContact CD2-CD2 3.75Å; H1077-F1114 AromaticContact CD2-CE2 3.58Å; H1077-Y1118 AromaticContact NE2-CE2 3.31Å; H1077-Y1118 VanDerWaalsContact NE2-CE2 3.31Å; H1077-Y1118 WeakPolarHBondContact NE2-CE2 3.37Å; H1077-Y1118 AromaticContact NE2-CZ 3.49Å; H1077-Y1118 PolarHBondContact NE2-OH 3.3Å
1078	Y	97.3	Very high	94.4	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	106.6	-174.5	-175.7	-133.3	0	0	0	112.2	F895 D898 F919 Y1053 Q1073 P1074 R1080	F895-Y1078 AromaticContact CD2-CD1 3.83Å; F895-Y1078 HydrophobicContact CD2-CD1 3.83Å; F895-Y1078 HydrophobicContact CD2-CE1 4.03Å; F895-Y1078 AromaticContact CE2-CD1 3.99Å; F895-Y1078 HydrophobicContact CE2-CD1 3.99Å; F895-Y1078 AromaticContact CE2-CE1 3.79Å; F895-Y1078 HydrophobicContact CE2-CE1 3.79Å; D898-Y1078 WeakPolarHBondContact OD1-CE1 3.16Å; D898-Y1078 PolarHBondContact OD1-OH 2.75Å; F919-Y1078 VanDerWaalsContact CE2-O 3.31Å; F919-Y1078 WeakPolarHBondContact CE2-O 3.46Å; F919-Y1078 VanDerWaalsContact CZ-O 3.29Å; F919-Y1078 WeakPolarHBondContact CZ-O 3.38Å; Y1053-Y1078 AromaticContact CD1-CD2 3.82Å; Y1053-Y1078 HydrophobicContact CD1-CD2 3.82Å; Y1053-Y1078 AromaticContact CD1-CE2 3.49Å; Y1053-Y1078 HydrophobicContact CD1-CE2 3.49Å; Y1053-Y1078 VanDerWaalsContact CD1-CE2 3.49Å; Y1053-Y1078 HydrophobicContact CE1-CE2 4.04Å; Y1053-Y1078 HydrophobicContact CG-CD2 4.3Å; Y1053-Y1078 HydrophobicContact CG-CE2 4.26Å; Y1053-Y1078 WeakPolarHBondContact O-CA 3.22Å; Y1053-Y1078 WeakPolarHBondContact O-CD2 3.45Å; Q1073-Y1078 HydrophobicContact CG-CD1 4.36Å; Q1073-Y1078 HydrophobicContact CG-CG 4.45Å; P1074-Y1078 HydrophobicContact CG-CD1 4.28Å; P1074-Y1078 HydrophobicContact CG-CD2 3.95Å; P1074-Y1078 HydrophobicContact CG-CE1 4.38Å; P1074-Y1078 HydrophobicContact CG-CE2 4.06Å; P1074-Y1078 HydrophobicContact CG-CG 4.07Å; Y1078-R1080 VanDerWaalsContact C-N 3.32Å; Y1078-R1080 HydrophobicContact CD1-CB 4.23Å; Y1078-R1080 HydrophobicContact CE1-CB 3.61Å; Y1078-R1080 HydrophobicContact CE2-CB 3.95Å; Y1078-R1080 VanDerWaalsContact CZ-CB 3.46Å; Y1078-R1080 PolarHBondContact O-N 3.39Å; Y1078-R1080 WeakPolarHBondContact OH-CD 3.4Å
1079	L	96.6	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21	-167.5	-169.6	66.6	0	0	0	114.2	F919 A938 Y1053 A1054 S1081 F1082 Y1083 Q1107 Y1110	F919-L1079 HydrophobicContact CE1-CD1 3.89Å; F919-L1079 HydrophobicContact CZ-CD1 4.39Å; A938-L1079 HydrophobicContact CB-CD1 4.32Å; Y1053-L1079 PolarHBondContact O-N 3.15Å; Y1053-L1079 VanDerWaalsContact O-N 3.1Å; A1054-L1079 HydrophobicContact CB-CB 3.8Å; A1054-L1079 HydrophobicContact CB-CD2 3.81Å; A1054-L1079 HydrophobicContact CB-CG 4.45Å; L1079-S1081 VanDerWaalsContact C-N 3.26Å; L1079-S1081 PolarHBondContact O-N 3.34Å; L1079-S1081 VanDerWaalsContact O-N 3.09Å; L1079-F1082 HydrophobicContact CD1-CB 4.07Å; L1079-F1082 HydrophobicContact CD1-CD1 4.45Å; L1079-F1082 HydrophobicContact CD1-CG 4.38Å; L1079-F1082 HydrophobicContact CG-CB 4.5Å; L1079-F1082 WeakPolarHBondContact O-CB 3.44Å; L1079-F1082 PolarHBondContact O-N 2.95Å; L1079-Y1083 HydrophobicContact CD2-CD2 4.47Å; L1079-Y1083 HydrophobicContact CD2-CE2 3.62Å; L1079-Y1083 HydrophobicContact CG-CD2 4.42Å; L1079-Y1083 HydrophobicContact CG-CE2 4.01Å; L1079-Q1107 HydrophobicContact CD2-CB 4.16Å; L1079-Q1107 HydrophobicContact CD2-CG 3.68Å; L1079-Y1110 HydrophobicContact CB-CD1 4.38Å; L1079-Y1110 HydrophobicContact CB-CE1 4.14Å; L1079-Y1110 HydrophobicContact CD1-CD1 3.81Å; L1079-Y1110 HydrophobicContact CD1-CD2 4.38Å; L1079-Y1110 HydrophobicContact CD1-CE1 3.99Å; L1079-Y1110 HydrophobicContact CD1-CG 4.02Å; L1079-Y1110 HydrophobicContact CG-CD1 4.48Å
1080	R	94.5	Very high	94	Very high	6 Å²	6	35.3 Å²	35.3	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-55.5	-38	-168.8	-169.3	-179.6	165.7	-73.6	-4.2	114.2	D898 Q1058 Y1078 F1082 Y1083 Q1084	D898-R1080 PolarHBondContact O-NH1 3.22Å; D898-R1080 PolarHBondContact O-NH2 3.45Å; D898-R1080 WeakPolarHBondContact OD1-CD 3.21Å; D898-R1080 IonicContact OD1-CZ 2.64Å; D898-R1080 IonicContact OD1-NE 3.77Å; D898-R1080 IonicContact OD1-NH1 2.69Å; D898-R1080 PolarHBondContact OD1-NH1 3.1Å; Q1058-R1080 HydrophobicContact CB-CG 4.14Å; Y1078-R1080 VanDerWaalsContact C-N 3.32Å; Y1078-R1080 HydrophobicContact CD1-CB 4.23Å; Y1078-R1080 HydrophobicContact CE1-CB 3.61Å; Y1078-R1080 HydrophobicContact CE2-CB 3.95Å; Y1078-R1080 VanDerWaalsContact CZ-CB 3.46Å; Y1078-R1080 PolarHBondContact O-N 3.39Å; Y1078-R1080 WeakPolarHBondContact OH-CD 3.4Å; R1080-F1082 PolarHBondContact O-N 3.21Å; R1080-Y1083 PolarHBondContact O-N 3.02Å; R1080-Q1084 PolarHBondContact O-N 3.29Å
1081	S	94.2	Very high	93.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-32	178.7	-59.8	0	0	0	0	113	F895 L1079 K1085	F895-S1081 WeakPolarHBondContact CA-OG 3.25Å; F895-S1081 WeakPolarHBondContact CB-OG 3.24Å; L1079-S1081 VanDerWaalsContact C-N 3.26Å; L1079-S1081 PolarHBondContact O-N 3.34Å; L1079-S1081 VanDerWaalsContact O-N 3.09Å; S1081-K1085 PolarHBondContact O-N 2.98Å; S1081-K1085 VanDerWaalsContact O-N 3.1Å
1082	F	96.1	Very high	92.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-57	176.1	177.5	-100.9	0	0	0	111.3	F893 F919 A938 L1079 R1080 Q1084 K1085 A1086 F1098 V1106	F893-F1082 HydrophobicContact CZ-CD2 4.38Å; F919-F1082 HydrophobicContact CB-CD2 4.37Å; F919-F1082 HydrophobicContact CD1-CB 3.83Å; F919-F1082 HydrophobicContact CD1-CD2 4.03Å; F919-F1082 HydrophobicContact CD1-CG 4.31Å; F919-F1082 HydrophobicContact CE1-CB 4.08Å; F919-F1082 HydrophobicContact CG-CB 4.08Å; F919-F1082 HydrophobicContact CG-CD2 4.42Å; A938-F1082 HydrophobicContact CB-CD2 4.02Å; A938-F1082 HydrophobicContact CB-CE2 4.11Å; A938-F1082 HydrophobicContact CB-CG 4.46Å; L1079-F1082 HydrophobicContact CD1-CB 4.07Å; L1079-F1082 HydrophobicContact CD1-CD1 4.45Å; L1079-F1082 HydrophobicContact CD1-CG 4.38Å; L1079-F1082 HydrophobicContact CG-CB 4.5Å; L1079-F1082 WeakPolarHBondContact O-CB 3.44Å; L1079-F1082 PolarHBondContact O-N 2.95Å; R1080-F1082 PolarHBondContact O-N 3.21Å; F1082-Q1084 VanDerWaalsContact C-N 3.35Å; F1082-Q1084 PolarHBondContact O-N 3.04Å; F1082-K1085 PolarHBondContact O-N 3.42Å; F1082-A1086 WeakPolarHBondContact O-CB 3.44Å; F1082-A1086 PolarHBondContact O-N 3Å; F1082-F1098 HydrophobicContact CD1-CZ 4.47Å; F1082-F1098 HydrophobicContact CE1-CD1 4.37Å; F1082-F1098 HydrophobicContact CE1-CD2 4.41Å; F1082-F1098 AromaticContact CE1-CE1 3.78Å; F1082-F1098 HydrophobicContact CE1-CE1 3.78Å; F1082-F1098 AromaticContact CE1-CE2 3.84Å; F1082-F1098 HydrophobicContact CE1-CE2 3.84Å; F1082-F1098 AromaticContact CE1-CZ 3.49Å; F1082-F1098 HydrophobicContact CE1-CZ 3.49Å; F1082-F1098 VanDerWaalsContact CE1-CZ 3.49Å; F1082-F1098 AromaticContact CZ-CD1 3.9Å; F1082-F1098 HydrophobicContact CZ-CD1 3.9Å; F1082-F1098 AromaticContact CZ-CE1 3.63Å; F1082-F1098 HydrophobicContact CZ-CE1 3.63Å; F1082-F1098 HydrophobicContact CZ-CE2 4.3Å; F1082-F1098 HydrophobicContact CZ-CG 4.35Å; F1082-F1098 AromaticContact CZ-CZ 3.86Å; F1082-F1098 HydrophobicContact CZ-CZ 3.86Å; F1082-V1106 HydrophobicContact CE1-CG1 4.09Å; F1082-V1106 HydrophobicContact CZ-CG1 4.11Å
1083	Y	94.7	Very high	91.4	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.027	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-37.3	-179.9	-65.6	-55.8	0	0	0	112.2	D1056 L1079 R1080 K1085 A1086 E1087 F1098 Q1103 Q1107	D1056-Y1083 HydrophobicContact CB-CD2 4.27Å; D1056-Y1083 HydrophobicContact CB-CE2 3.69Å; L1079-Y1083 HydrophobicContact CD2-CD2 4.47Å; L1079-Y1083 HydrophobicContact CD2-CE2 3.62Å; L1079-Y1083 HydrophobicContact CG-CD2 4.42Å; L1079-Y1083 HydrophobicContact CG-CE2 4.01Å; R1080-Y1083 PolarHBondContact O-N 3.02Å; Y1083-K1085 PolarHBondContact O-N 3.34Å; Y1083-A1086 PolarHBondContact O-N 2.78Å; Y1083-E1087 WeakPolarHBondContact O-CB 3.42Å; Y1083-E1087 WeakPolarHBondContact O-CG 3.11Å; Y1083-E1087 PolarHBondContact O-N 2.93Å; Y1083-F1098 HydrophobicContact CD1-CE2 4.45Å; Y1083-F1098 HydrophobicContact CD1-CZ 4.23Å; Y1083-F1098 HydrophobicContact CE1-CE2 4.03Å; Y1083-F1098 HydrophobicContact CE1-CZ 4.25Å; Y1083-Q1103 HydrophobicContact CE1-CG 3.48Å; Y1083-Q1103 VanDerWaalsContact CE1-CG 3.48Å; Y1083-Q1103 WeakPolarHBondContact OH-CG 3.47Å; Y1083-Q1103 PolarHBondContact OH-NE2 3.37Å; Y1083-Q1107 PolarHBondContact OH-OE1 2.78Å
1084	Q	92.3	Very high	90.3	Very high	23 Å²	23	43.8 Å²	43.8	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-43.6	178.5	-171.8	-179	3.7	0	0	112.5	F899 V901 Q1058 R1080 F1082 R1088	F899-Q1084 PolarHBondContact O-NE2 3.25Å; V901-Q1084 HydrophobicContact CG2-CB 4.12Å; V901-Q1084 HydrophobicContact CG2-CG 4.09Å; Q1058-Q1084 HydrophobicContact CG-CB 4.46Å; R1080-Q1084 PolarHBondContact O-N 3.29Å; F1082-Q1084 VanDerWaalsContact C-N 3.35Å; F1082-Q1084 PolarHBondContact O-N 3.04Å; Q1084-R1088 WeakPolarHBondContact O-CB 3.39Å; Q1084-R1088 PolarHBondContact O-N 2.87Å
1085	K	93.3	Very high	89.6	Confident	18 Å²	18	44.4 Å²	44.4	8%	0.078	20%	0.198	C	C	.	.	H	α-helix	trans	-69.6	-47.7	176.8	-172.7	66.2	159.8	83.7	0	111.3	E891 F893 V901 T903 Y936 S1081 F1082 Y1083 R1088 D1089	E891-K1085 WeakPolarHBondContact OE1-CE 3.23Å; E891-K1085 IonicContact OE1-NZ 2.67Å; E891-K1085 PolarHBondContact OE1-NZ 2.94Å; F893-K1085 HydrophobicContact CD1-CG 3.97Å; F893-K1085 HydrophobicContact CD2-CB 3.92Å; F893-K1085 HydrophobicContact CD2-CG 4.06Å; F893-K1085 HydrophobicContact CE1-CB 4.32Å; F893-K1085 HydrophobicContact CE1-CG 3.93Å; F893-K1085 HydrophobicContact CE2-CB 3.6Å; F893-K1085 HydrophobicContact CE2-CG 4.02Å; F893-K1085 HydrophobicContact CG-CB 4.41Å; F893-K1085 HydrophobicContact CG-CG 4.03Å; F893-K1085 HydrophobicContact CZ-CB 3.82Å; F893-K1085 HydrophobicContact CZ-CG 3.95Å; V901-K1085 HydrophobicContact CG1-CB 4.32Å; V901-K1085 HydrophobicContact CG1-CD 4.22Å; T903-K1085 WeakPolarHBondContact OG1-CE 3.4Å; Y936-K1085 HydrophobicContact CE1-CG 4.2Å; S1081-K1085 PolarHBondContact O-N 2.98Å; S1081-K1085 VanDerWaalsContact O-N 3.1Å; F1082-K1085 PolarHBondContact O-N 3.42Å; Y1083-K1085 PolarHBondContact O-N 3.34Å; K1085-R1088 PolarHBondContact O-N 2.9Å; K1085-D1089 IonicContact NZ-OD1 3.85Å; K1085-D1089 PolarHBondContact NZ-OD1 2.8Å; K1085-D1089 IonicContact NZ-OD2 3.53Å; K1085-D1089 PolarHBondContact NZ-OD2 3.41Å; K1085-D1089 WeakPolarHBondContact O-CB 3.29Å; K1085-D1089 VanDerWaalsContact O-CG 3.28Å; K1085-D1089 PolarHBondContact O-N 2.81Å
1086	A	92.6	Very high	89	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-48.9	-178	0	0	0	0	0	112.3	Y936 F1082 Y1083 R1088 T1090 F1098	Y936-A1086 HydrophobicContact CD1-CB 4.18Å; Y936-A1086 HydrophobicContact CD2-CB 4.24Å; Y936-A1086 HydrophobicContact CE1-CB 4.5Å; Y936-A1086 HydrophobicContact CG-CB 4.06Å; F1082-A1086 WeakPolarHBondContact O-CB 3.44Å; F1082-A1086 PolarHBondContact O-N 3Å; Y1083-A1086 PolarHBondContact O-N 2.78Å; A1086-R1088 PolarHBondContact O-N 2.93Å; A1086-T1090 WeakPolarHBondContact O-CB 3.3Å; A1086-T1090 VanDerWaalsContact O-CG2 3.26Å; A1086-T1090 WeakPolarHBondContact O-CG2 3.47Å; A1086-T1090 PolarHBondContact O-N 2.82Å; A1086-T1090 PolarHBondContact O-OG1 2.78Å; A1086-F1098 HydrophobicContact CB-CE1 3.77Å; A1086-F1098 HydrophobicContact CB-CZ 4.05Å
1087	E	91.1	Very high	88.9	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.047	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-38.7	179.3	-68.5	-171.4	158.8	0	0	112.1	Q1058 Y1083 R1091 Q1094	Q1058-E1087 WeakPolarHBondContact CG-OE2 3.45Å; Q1058-E1087 PolarHBondContact NE2-OE2 2.85Å; Y1083-E1087 WeakPolarHBondContact O-CB 3.42Å; Y1083-E1087 WeakPolarHBondContact O-CG 3.11Å; Y1083-E1087 PolarHBondContact O-N 2.93Å; E1087-R1091 WeakPolarHBondContact O-CA 3.18Å; E1087-R1091 PolarHBondContact O-N 3.26Å; E1087-Q1094 PolarHBondContact OE1-N 2.88Å; E1087-Q1094 VanDerWaalsContact OE1-N 3.13Å
1088	R	89.2	Confident	88.6	Confident	187 Å²	187	47.7 Å²	47.7	71%	0.706	22%	0.219	S	C	*	.	H	α-helix	trans	-64.8	-45.2	178.7	-179.6	-178.2	177.6	-171	-0.7	111.9	Q1084 K1085 A1086	Q1084-R1088 WeakPolarHBondContact O-CB 3.39Å; Q1084-R1088 PolarHBondContact O-N 2.87Å; K1085-R1088 PolarHBondContact O-N 2.9Å; A1086-R1088 PolarHBondContact O-N 2.93Å
1089	D	89.8	Confident	88.4	Confident	58 Å²	58	48.5 Å²	48.5	31%	0.31	23%	0.228	S	C	.	.	H	α-helix	trans	-73.6	-43.8	-176.6	-71.9	-8.1	0	0	0	111.8	Y936 K1085 R1091	Y936-D1089 WeakPolarHBondContact CE1-OD2 3.18Å; Y936-D1089 WeakPolarHBondContact OH-CB 3.38Å; Y936-D1089 VanDerWaalsContact OH-CG 3.28Å; Y936-D1089 PolarHBondContact OH-OD2 2.96Å; K1085-D1089 IonicContact NZ-OD1 3.85Å; K1085-D1089 PolarHBondContact NZ-OD1 2.8Å; K1085-D1089 IonicContact NZ-OD2 3.53Å; K1085-D1089 PolarHBondContact NZ-OD2 3.41Å; K1085-D1089 WeakPolarHBondContact O-CB 3.29Å; K1085-D1089 VanDerWaalsContact O-CG 3.28Å; K1085-D1089 PolarHBondContact O-N 2.81Å; D1089-R1091 VanDerWaalsContact C-N 3.32Å
1090	T	86	Confident	88.1	Confident	48 Å²	48	50.5 Å²	50.5	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-78.4	-19.3	-177.9	63.2	0	0	0	0	112.7	Y936 A1086 V1092	Y936-T1090 HydrophobicContact CE2-CG2 4Å; A1086-T1090 WeakPolarHBondContact O-CB 3.3Å; A1086-T1090 VanDerWaalsContact O-CG2 3.26Å; A1086-T1090 WeakPolarHBondContact O-CG2 3.47Å; A1086-T1090 PolarHBondContact O-N 2.82Å; A1086-T1090 PolarHBondContact O-OG1 2.78Å; T1090-V1092 PolarHBondContact O-N 2.78Å; T1090-V1092 VanDerWaalsContact O-N 3.14Å; T1090-V1092 PolarHBondContact OG1-N 2.73Å
1091	R	81.6	Confident	88.1	Confident	215 Å²	215	53.1 Å²	53.1	81%	0.811	25%	0.254	S	S	*	.			trans	56.5	18	-168.6	-52.1	-179.2	-179.6	-176.6	0.3	113	E1087 D1089	E1087-R1091 WeakPolarHBondContact O-CA 3.18Å; E1087-R1091 PolarHBondContact O-N 3.26Å; D1089-R1091 VanDerWaalsContact C-N 3.32Å
1092	V	78.2	Confident	88.1	Confident	74 Å²	74	54.3 Å²	54.3	45%	0.448	26%	0.263	S	S	.	.			trans	-95.5	104.3	173.9	-178.7	0	0	0	0	107.3	T1090 Q1095	T1090-V1092 PolarHBondContact O-N 2.78Å; T1090-V1092 VanDerWaalsContact O-N 3.14Å; T1090-V1092 PolarHBondContact OG1-N 2.73Å; V1092-Q1095 HydrophobicContact CG1-CB 4.15Å
1093	F	70.4	Confident	87.9	Confident	161 Å²	161	54.3 Å²	54.3	71%	0.706	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	137.1	169.1	-65.6	-77.3	0	0	0	109.2
1094	Q	72.8	Confident	87.9	Confident	81 Å²	81	54 Å²	54	38%	0.379	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	47.8	176.8	-62.5	174.4	-2.3	0	0	113.5	M1057 E1087 T1096 M1132	M1057-Q1094 HydrophobicContact CE-CG 4.28Å; M1057-Q1094 VanDerWaalsContact CE-NE2 3.29Å; E1087-Q1094 PolarHBondContact OE1-N 2.88Å; E1087-Q1094 VanDerWaalsContact OE1-N 3.13Å; Q1094-T1096 PolarHBondContact O-N 3.27Å; Q1094-T1096 VanDerWaalsContact O-N 3.15Å; Q1094-M1132 HydrophobicContact CB-CE 3.85Å; Q1094-M1132 HydrophobicContact CB-SD 3.6Å; Q1094-M1132 VanDerWaalsContact CB-SD 3.6Å; Q1094-M1132 HydrophobicContact CG-CE 4.16Å; Q1094-M1132 HydrophobicContact CG-SD 3.88Å
1095	Q	79.4	Confident	88	Confident	33 Å²	33	56.3 Å²	56.3	15%	0.154	27%	0.27	C	S	.	.			trans	-61.5	114.1	179.5	-177.3	172.7	0	0	0	111.9	V1092 C1097 F1098	V1092-Q1095 HydrophobicContact CG1-CB 4.15Å; Q1095-C1097 WeakPolarHBondContact CG-O 3.34Å; Q1095-C1097 PolarHBondContact NE2-O 2.8Å; Q1095-F1098 HydrophobicContact CG-CZ 4.37Å
1096	T	85.8	Confident	88.1	Confident	50 Å²	50	56.1 Å²	56.1	31%	0.307	27%	0.27	S	S	.	.			trans	-90.2	-13.8	-175.1	56.7	0	0	0	0	114.8	Q1094 Q1103 Y1133	Q1094-T1096 PolarHBondContact O-N 3.27Å; Q1094-T1096 VanDerWaalsContact O-N 3.15Å; T1096-Q1103 WeakPolarHBondContact O-CB 3.19Å; T1096-Q1103 PolarHBondContact O-N 3.23Å; T1096-Y1133 PolarHBondContact O-OH 2.88Å
1097	C	92.3	Very high	88.3	Confident	25 Å²	25	56 Å²	56	17%	0.169	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.9	-176.9	-64.2	0	0	0	0	111.7	C860 Q1095 E1101	C860-C1097 WeakPolarHBondContact CA-SG 3.46Å; C860-C1097 HydrophobicContact CB-CB 3.76Å; C860-C1097 WeakPolarHBondContact CB-SG 3.42Å; C860-C1097 WeakPolarHBondContact SG-CB 3.28Å; C860-C1097 CovalentContact SG-SG 2.05Å; C860-C1097 PolarHBondContact SG-SG 2.95Å; Q1095-C1097 WeakPolarHBondContact CG-O 3.34Å; Q1095-C1097 PolarHBondContact NE2-O 2.8Å; C1097-E1101 WeakPolarHBondContact CA-O 3.26Å
1098	F	93.3	Very high	88.6	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	82.8	171.4	-71.6	-87.3	0	0	0	108.7	N865 N935 Y936 F1082 Y1083 A1086 Q1095 S1100 E1101 Q1103 V1106	N865-F1098 PolarHBondContact ND2-O 2.99Å; N865-F1098 PolarHBondContact OD1-O 3.13Å; N935-F1098 VanDerWaalsContact ND2-C 3.32Å; N935-F1098 PolarHBondContact ND2-O 3.44Å; N935-F1098 VanDerWaalsContact ND2-O 3.1Å; Y936-F1098 HydrophobicContact CD2-CE1 4.45Å; Y936-F1098 HydrophobicContact CG-CE1 4.46Å; F1082-F1098 HydrophobicContact CD1-CZ 4.47Å; F1082-F1098 HydrophobicContact CE1-CD1 4.37Å; F1082-F1098 HydrophobicContact CE1-CD2 4.41Å; F1082-F1098 AromaticContact CE1-CE1 3.78Å; F1082-F1098 HydrophobicContact CE1-CE1 3.78Å; F1082-F1098 AromaticContact CE1-CE2 3.84Å; F1082-F1098 HydrophobicContact CE1-CE2 3.84Å; F1082-F1098 AromaticContact CE1-CZ 3.49Å; F1082-F1098 HydrophobicContact CE1-CZ 3.49Å; F1082-F1098 VanDerWaalsContact CE1-CZ 3.49Å; F1082-F1098 AromaticContact CZ-CD1 3.9Å; F1082-F1098 HydrophobicContact CZ-CD1 3.9Å; F1082-F1098 AromaticContact CZ-CE1 3.63Å; F1082-F1098 HydrophobicContact CZ-CE1 3.63Å; F1082-F1098 HydrophobicContact CZ-CE2 4.3Å; F1082-F1098 HydrophobicContact CZ-CG 4.35Å; F1082-F1098 AromaticContact CZ-CZ 3.86Å; F1082-F1098 HydrophobicContact CZ-CZ 3.86Å; Y1083-F1098 HydrophobicContact CD1-CE2 4.45Å; Y1083-F1098 HydrophobicContact CD1-CZ 4.23Å; Y1083-F1098 HydrophobicContact CE1-CE2 4.03Å; Y1083-F1098 HydrophobicContact CE1-CZ 4.25Å; A1086-F1098 HydrophobicContact CB-CE1 3.77Å; A1086-F1098 HydrophobicContact CB-CZ 4.05Å; Q1095-F1098 HydrophobicContact CG-CZ 4.37Å; F1098-S1100 PolarHBondContact O-N 2.73Å; F1098-E1101 PolarHBondContact N-O 3.18Å; F1098-E1101 PolarHBondContact O-N 2.91Å; F1098-Q1103 HydrophobicContact CD2-CB 4.34Å; F1098-Q1103 HydrophobicContact CE2-CB 4.17Å; F1098-Q1103 HydrophobicContact CE2-CG 4Å; F1098-V1106 HydrophobicContact CB-CG2 4.09Å; F1098-V1106 HydrophobicContact CD2-CG2 4.16Å; F1098-V1106 HydrophobicContact CG-CG2 4.42Å
1099	G	91.4	Very high	89	Confident	20 Å²	20	47.5 Å²	47.5	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-120.6	-169.3	0	0	0	0	0	111.1	C860 V861 N865	C860-G1099 WeakPolarHBondContact CB-O 3.34Å; V861-G1099 WeakPolarHBondContact CB-O 3.4Å; V861-G1099 PolarHBondContact N-O 2.87Å; V861-G1099 VanDerWaalsContact N-O 3.1Å; N865-G1099 WeakPolarHBondContact OD1-CA 3.02Å
1100	S	91.9	Very high	89.4	Confident	42 Å²	42	44.8 Å²	44.8	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.4	-179.8	59.5	0	0	0	0	115.1	V861 E863 N865 F1098	V861-S1100 WeakPolarHBondContact O-CA 3.41Å; V861-S1100 VanDerWaalsContact O-CB 3.3Å; V861-S1100 WeakPolarHBondContact O-CB 3.39Å; E863-S1100 WeakPolarHBondContact O-CB 3.43Å; N865-S1100 PolarHBondContact N-OG 3.47Å; N865-S1100 VanDerWaalsContact N-OG 3.1Å; F1098-S1100 PolarHBondContact O-N 2.73Å
1101	E	93	Very high	90	Very high	60 Å²	60	42.5 Å²	42.5	28%	0.28	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	141.9	-176.8	-65.9	-172.7	131.2	0	0	111.5	C1097 F1098 V1106	C1097-E1101 WeakPolarHBondContact CA-O 3.26Å; F1098-E1101 PolarHBondContact N-O 3.18Å; F1098-E1101 PolarHBondContact O-N 2.91Å; E1101-V1106 HydrophobicContact CB-CG2 4Å
1102	S	93.9	Very high	90.8	Very high	25 Å²	25	32.5 Å²	32.5	18%	0.175	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.7	169	66	0	0	0	0	110.3	L1104 R1105 V1106	S1102-L1104 PolarHBondContact O-N 2.84Å; S1102-R1105 WeakPolarHBondContact O-CB 3.36Å; S1102-R1105 PolarHBondContact O-N 3.33Å; S1102-R1105 WeakPolarHBondContact OG-CB 3.45Å; S1102-R1105 PolarHBondContact OG-N 3.01Å; S1102-V1106 PolarHBondContact O-N 3.24Å
1103	Q	93.7	Very high	91.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-53.9	-38.7	173.8	-177.9	-121.9	-46.2	0	0	111.6	D1056 Y1083 T1096 F1098 R1105 V1106 Q1107 M1132	D1056-Q1103 PolarHBondContact OD2-NE2 2.94Å; Y1083-Q1103 HydrophobicContact CE1-CG 3.48Å; Y1083-Q1103 VanDerWaalsContact CE1-CG 3.48Å; Y1083-Q1103 WeakPolarHBondContact OH-CG 3.47Å; Y1083-Q1103 PolarHBondContact OH-NE2 3.37Å; T1096-Q1103 WeakPolarHBondContact O-CB 3.19Å; T1096-Q1103 PolarHBondContact O-N 3.23Å; F1098-Q1103 HydrophobicContact CD2-CB 4.34Å; F1098-Q1103 HydrophobicContact CE2-CB 4.17Å; F1098-Q1103 HydrophobicContact CE2-CG 4Å; Q1103-R1105 PolarHBondContact O-N 3.24Å; Q1103-V1106 PolarHBondContact O-N 2.96Å; Q1103-Q1107 PolarHBondContact O-N 2.92Å; Q1103-M1132 VanDerWaalsContact OE1-CB 3.28Å; Q1103-M1132 VanDerWaalsContact OE1-CE 3.24Å
1104	L	94	Very high	93	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-54.4	-50.1	171.2	-176	73.8	0	0	0	112.3	S1102 Q1107 L1108 Y1133 A1144 P1147	S1102-L1104 PolarHBondContact O-N 2.84Å; L1104-Q1107 PolarHBondContact O-N 2.8Å; L1104-L1108 HydrophobicContact CG-CD1 4.02Å; L1104-L1108 WeakPolarHBondContact O-CG 3.45Å; L1104-L1108 PolarHBondContact O-N 2.74Å; L1104-Y1133 HydrophobicContact CB-CD2 4.19Å; L1104-Y1133 HydrophobicContact CB-CE2 3.54Å; L1104-Y1133 HydrophobicContact CD1-CD2 4.24Å; L1104-Y1133 HydrophobicContact CD1-CE2 4.39Å; L1104-Y1133 HydrophobicContact CG-CE2 4.49Å; L1104-Y1133 PolarHBondContact N-OH 3.49Å; L1104-A1144 HydrophobicContact CD1-CB 4.3Å; L1104-A1144 HydrophobicContact CD2-CB 3.71Å; L1104-P1147 HydrophobicContact CD2-CB 3.74Å; L1104-P1147 HydrophobicContact CD2-CG 3.93Å
1105	R	94.5	Very high	94.2	Very high	71 Å²	71	17.7 Å²	17.7	27%	0.268	10%	0.101	S	C	.	.	H	α-helix	trans	-64.4	-42.4	-179.4	177.5	64.8	-166.2	127	-11	111.3	S1102 Q1103 Q1107 L1108 S1109 E1112	S1102-R1105 WeakPolarHBondContact O-CB 3.36Å; S1102-R1105 PolarHBondContact O-N 3.33Å; S1102-R1105 WeakPolarHBondContact OG-CB 3.45Å; S1102-R1105 PolarHBondContact OG-N 3.01Å; Q1103-R1105 PolarHBondContact O-N 3.24Å; R1105-Q1107 VanDerWaalsContact C-N 3.32Å; R1105-Q1107 PolarHBondContact O-N 3.13Å; R1105-L1108 PolarHBondContact O-N 2.76Å; R1105-S1109 PolarHBondContact NE-OG 2.94Å; R1105-S1109 PolarHBondContact NH1-OG 3.25Å; R1105-S1109 PolarHBondContact NH2-OG 3.21Å; R1105-S1109 WeakPolarHBondContact O-CB 3.37Å; R1105-S1109 PolarHBondContact O-N 3.17Å; R1105-S1109 PolarHBondContact O-OG 3.19Å; R1105-E1112 IonicContact CZ-OE1 3Å; R1105-E1112 IonicContact CZ-OE2 3.99Å; R1105-E1112 IonicContact NH1-OE1 3.42Å; R1105-E1112 PolarHBondContact NH1-OE1 3.41Å; R1105-E1112 IonicContact NH1-OE2 3.83Å; R1105-E1112 PolarHBondContact NH1-OE2 3.02Å; R1105-E1112 VanDerWaalsContact NH1-OE2 3.11Å; R1105-E1112 IonicContact NH2-OE1 2.78Å; R1105-E1112 IonicContact NH2-OE2 2.71Å; R1105-E1112 PolarHBondContact NH2-OE2 2.89Å
1106	V	95.4	Very high	95	Very high	13 Å²	13	18 Å²	18	8%	0.079	10%	0.103	C	C	.	.	H	α-helix	trans	-56.5	-47.2	176.9	172.7	0	0	0	0	110.6	F1082 F1098 E1101 S1102 Q1103 S1109 Y1110	F1082-V1106 HydrophobicContact CE1-CG1 4.09Å; F1082-V1106 HydrophobicContact CZ-CG1 4.11Å; F1098-V1106 HydrophobicContact CB-CG2 4.09Å; F1098-V1106 HydrophobicContact CD2-CG2 4.16Å; F1098-V1106 HydrophobicContact CG-CG2 4.42Å; E1101-V1106 HydrophobicContact CB-CG2 4Å; S1102-V1106 PolarHBondContact O-N 3.24Å; Q1103-V1106 PolarHBondContact O-N 2.96Å; V1106-S1109 PolarHBondContact O-N 3.27Å; V1106-Y1110 PolarHBondContact O-N 2.78Å; V1106-Y1110 VanDerWaalsContact O-N 3.08Å
1107	Q	96.7	Very high	95.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-42.1	178.8	-179	160.6	-26.9	0	0	112.7	L1079 Y1083 Q1103 L1104 R1105 Y1110 Q1128 F1129	L1079-Q1107 HydrophobicContact CD2-CB 4.16Å; L1079-Q1107 HydrophobicContact CD2-CG 3.68Å; Y1083-Q1107 PolarHBondContact OH-OE1 2.78Å; Q1103-Q1107 PolarHBondContact O-N 2.92Å; L1104-Q1107 PolarHBondContact O-N 2.8Å; R1105-Q1107 VanDerWaalsContact C-N 3.32Å; R1105-Q1107 PolarHBondContact O-N 3.13Å; Q1107-Y1110 WeakPolarHBondContact O-CB 3.48Å; Q1107-Y1110 PolarHBondContact O-N 3.11Å; Q1107-Q1128 VanDerWaalsContact C-NE2 3.26Å; Q1107-Q1128 HydrophobicContact CG-CG 4.08Å; Q1107-Q1128 PolarHBondContact O-NE2 2.6Å; Q1107-F1129 PolarHBondContact NE2-O 3.07Å
1108	L	97.8	Very high	95.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-59.2	-45.6	173.6	-70.7	169.6	0	0	0	111.5	L1104 R1105 Y1110 V1111 E1112 P1147 H1151	L1104-L1108 HydrophobicContact CG-CD1 4.02Å; L1104-L1108 WeakPolarHBondContact O-CG 3.45Å; L1104-L1108 PolarHBondContact O-N 2.74Å; R1105-L1108 PolarHBondContact O-N 2.76Å; L1108-Y1110 VanDerWaalsContact C-N 3.26Å; L1108-Y1110 PolarHBondContact O-N 3.41Å; L1108-V1111 PolarHBondContact O-N 2.94Å; L1108-E1112 PolarHBondContact O-N 3.27Å; L1108-E1112 VanDerWaalsContact O-N 3.16Å; L1108-P1147 HydrophobicContact CD1-CB 4.03Å; L1108-H1151 HydrophobicContact CD1-CB 4.36Å; L1108-H1151 HydrophobicContact CD2-CB 4.14Å; L1108-H1151 PolarHBondContact O-CE1 2.99Å; L1108-H1151 VanDerWaalsContact O-CE1 3.32Å
1109	S	97.2	Very high	95.5	Very high	17 Å²	17	19.7 Å²	19.7	12%	0.119	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-34.7	176.6	-68.4	0	0	0	0	112.6	R1105 V1106 V1111 E1112 D1113	R1105-S1109 PolarHBondContact NE-OG 2.94Å; R1105-S1109 PolarHBondContact NH1-OG 3.25Å; R1105-S1109 PolarHBondContact NH2-OG 3.21Å; R1105-S1109 WeakPolarHBondContact O-CB 3.37Å; R1105-S1109 PolarHBondContact O-N 3.17Å; R1105-S1109 PolarHBondContact O-OG 3.19Å; V1106-S1109 PolarHBondContact O-N 3.27Å; S1109-V1111 VanDerWaalsContact C-N 3.29Å; S1109-V1111 PolarHBondContact O-N 3.08Å; S1109-E1112 WeakPolarHBondContact O-CB 3.48Å; S1109-E1112 PolarHBondContact O-N 3.03Å; S1109-D1113 WeakPolarHBondContact O-CB 3.46Å; S1109-D1113 PolarHBondContact O-N 2.88Å
1110	Y	98.1	Very high	95.4	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-37.9	178.7	-172.5	-119.6	0	0	0	112.2	D918 F919 A938 T939 I940 L1052 H1077 L1079 V1106 Q1107 L1108 F1114	D918-Y1110 PolarHBondContact OD2-OH 3.48Å; F919-Y1110 AromaticContact CE1-CE2 3.8Å; F919-Y1110 HydrophobicContact CE1-CE2 3.8Å; F919-Y1110 AromaticContact CE1-CZ 3.86Å; F919-Y1110 HydrophobicContact CZ-CE2 4.4Å; A938-Y1110 HydrophobicContact CB-CD2 3.99Å; A938-Y1110 HydrophobicContact CB-CE2 4.42Å; T939-Y1110 WeakPolarHBondContact O-CE2 3.45Å; I940-Y1110 HydrophobicContact CD1-CD2 3.85Å; I940-Y1110 HydrophobicContact CD1-CE1 4.12Å; I940-Y1110 HydrophobicContact CD1-CE2 3.31Å; I940-Y1110 HydrophobicContact CD1-CG 4.45Å; I940-Y1110 VanDerWaalsContact CD1-CZ 3.47Å; I940-Y1110 HydrophobicContact CG1-CD2 4.27Å; I940-Y1110 HydrophobicContact CG1-CE2 4.07Å; L1052-Y1110 HydrophobicContact CD1-CD1 3.88Å; L1052-Y1110 HydrophobicContact CD1-CE1 3.68Å; L1052-Y1110 HydrophobicContact CG-CE1 4.1Å; H1077-Y1110 HydrophobicContact CB-CE1 4.45Å; H1077-Y1110 WeakPolarHBondContact CB-OH 3.33Å; L1079-Y1110 HydrophobicContact CB-CD1 4.38Å; L1079-Y1110 HydrophobicContact CB-CE1 4.14Å; L1079-Y1110 HydrophobicContact CD1-CD1 3.81Å; L1079-Y1110 HydrophobicContact CD1-CD2 4.38Å; L1079-Y1110 HydrophobicContact CD1-CE1 3.99Å; L1079-Y1110 HydrophobicContact CD1-CG 4.02Å; L1079-Y1110 HydrophobicContact CG-CD1 4.48Å; V1106-Y1110 PolarHBondContact O-N 2.78Å; V1106-Y1110 VanDerWaalsContact O-N 3.08Å; Q1107-Y1110 WeakPolarHBondContact O-CB 3.48Å; Q1107-Y1110 PolarHBondContact O-N 3.11Å; L1108-Y1110 VanDerWaalsContact C-N 3.26Å; L1108-Y1110 PolarHBondContact O-N 3.41Å; Y1110-F1114 PolarHBondContact O-N 3.01Å; Y1110-F1114 VanDerWaalsContact O-N 3.15Å
1111	V	98.3	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-77.2	-34.9	175.9	-177.2	0	0	0	0	111.5	Y963 L1052 L1108 S1109 D1113 F1114 F1115 A1126 Q1128 F1155	Y963-V1111 HydrophobicContact CD2-CG1 4.38Å; Y963-V1111 HydrophobicContact CE1-CG1 3.99Å; Y963-V1111 HydrophobicContact CE2-CG1 3.89Å; L1052-V1111 HydrophobicContact CD2-CG2 4Å; L1108-V1111 PolarHBondContact O-N 2.94Å; S1109-V1111 VanDerWaalsContact C-N 3.29Å; S1109-V1111 PolarHBondContact O-N 3.08Å; V1111-D1113 VanDerWaalsContact C-N 3.35Å; V1111-F1114 WeakPolarHBondContact O-CB 3.28Å; V1111-F1114 PolarHBondContact O-N 2.82Å; V1111-F1115 HydrophobicContact CG1-CD2 3.97Å; V1111-F1115 HydrophobicContact CG1-CE2 3.97Å; V1111-F1115 WeakPolarHBondContact O-CD2 3.26Å; V1111-F1115 PolarHBondContact O-N 2.73Å; V1111-F1115 VanDerWaalsContact O-N 3.11Å; V1111-A1126 HydrophobicContact CG1-CB 4.15Å; V1111-Q1128 HydrophobicContact CG2-CB 4.23Å; V1111-Q1128 HydrophobicContact CG2-CG 4.29Å; V1111-Q1128 VanDerWaalsContact CG2-NE2 3.3Å; V1111-F1155 HydrophobicContact CG1-CZ 4.16Å
1112	E	98.3	Very high	95.3	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-59	-47.9	172.1	-65.2	168	-164.1	0	0	111.1	R870 R1105 L1108 S1109 F1114 F1115 E1116 H1151 F1154 F1155	R870-E1112 IonicContact NH1-OE2 2.99Å; R1105-E1112 IonicContact CZ-OE1 3Å; R1105-E1112 IonicContact CZ-OE2 3.99Å; R1105-E1112 IonicContact NH1-OE1 3.42Å; R1105-E1112 PolarHBondContact NH1-OE1 3.41Å; R1105-E1112 IonicContact NH1-OE2 3.83Å; R1105-E1112 PolarHBondContact NH1-OE2 3.02Å; R1105-E1112 VanDerWaalsContact NH1-OE2 3.11Å; R1105-E1112 IonicContact NH2-OE1 2.78Å; R1105-E1112 IonicContact NH2-OE2 2.71Å; R1105-E1112 PolarHBondContact NH2-OE2 2.89Å; L1108-E1112 PolarHBondContact O-N 3.27Å; L1108-E1112 VanDerWaalsContact O-N 3.16Å; S1109-E1112 WeakPolarHBondContact O-CB 3.48Å; S1109-E1112 PolarHBondContact O-N 3.03Å; E1112-F1114 PolarHBondContact O-N 2.69Å; E1112-F1115 PolarHBondContact O-N 3.11Å; E1112-E1116 WeakPolarHBondContact O-CG 3.47Å; E1112-E1116 PolarHBondContact O-N 2.93Å; E1112-H1151 IonicContact OE1-CE1 3.43Å; E1112-H1151 IonicContact OE1-CG 3.09Å; E1112-H1151 IonicContact OE1-ND1 3.33Å; E1112-H1151 PolarHBondContact OE1-ND1 3.06Å; E1112-F1154 HydrophobicContact CB-CD1 4.26Å; E1112-F1154 HydrophobicContact CB-CE1 3.65Å; E1112-F1154 HydrophobicContact CB-CZ 3.85Å; E1112-F1154 HydrophobicContact CG-CD1 3.68Å; E1112-F1154 HydrophobicContact CG-CE1 3.59Å; E1112-F1154 HydrophobicContact CG-CG 4.31Å; E1112-F1154 HydrophobicContact CG-CZ 4.14Å; E1112-F1155 HydrophobicContact CG-CE2 4.4Å
1113	D	97.7	Very high	95.3	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-62	-34.1	177.9	-161.6	31.4	0	0	0	111.3	K871 T939 I940 S1109 V1111 E1116 T1117	K871-D1113 PolarHBondContact N-OD1 3.17Å; K871-D1113 PolarHBondContact N-OD2 2.63Å; T939-D1113 VanDerWaalsContact CA-OD2 3.32Å; T939-D1113 WeakPolarHBondContact CA-OD2 3.27Å; T939-D1113 WeakPolarHBondContact CB-OD2 3.38Å; T939-D1113 PolarHBondContact OG1-OD2 3.05Å; I940-D1113 HydrophobicContact CG1-CB 4.07Å; I940-D1113 PolarHBondContact N-OD2 3.29Å; S1109-D1113 WeakPolarHBondContact O-CB 3.46Å; S1109-D1113 PolarHBondContact O-N 2.88Å; V1111-D1113 VanDerWaalsContact C-N 3.35Å; D1113-E1116 PolarHBondContact O-N 3.11Å; D1113-T1117 WeakPolarHBondContact O-CB 3.13Å; D1113-T1117 PolarHBondContact O-N 3.09Å; D1113-T1117 PolarHBondContact O-OG1 2.64Å
1114	F	98	Very high	95.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-65.2	-44.9	176.9	175	-115	0	0	0	112.3	I940 A1050 L1052 H1077 Y1110 V1111 E1112 E1116 Y1118 K1124 A1126	I940-F1114 HydrophobicContact CD1-CB 3.96Å; I940-F1114 HydrophobicContact CD1-CD2 4.28Å; I940-F1114 HydrophobicContact CG1-CB 3.88Å; I940-F1114 HydrophobicContact CG2-CD2 4.32Å; A1050-F1114 HydrophobicContact CB-CE2 3.86Å; A1050-F1114 HydrophobicContact CB-CZ 3.7Å; L1052-F1114 HydrophobicContact CB-CD1 4.21Å; L1052-F1114 HydrophobicContact CB-CD2 4.46Å; L1052-F1114 HydrophobicContact CB-CE1 4.03Å; L1052-F1114 HydrophobicContact CB-CE2 4.32Å; L1052-F1114 HydrophobicContact CB-CG 4.42Å; L1052-F1114 HydrophobicContact CB-CZ 4.1Å; L1052-F1114 HydrophobicContact CD1-CB 3.69Å; L1052-F1114 HydrophobicContact CD1-CD1 3.98Å; L1052-F1114 HydrophobicContact CD1-CD2 4.02Å; L1052-F1114 HydrophobicContact CD1-CG 3.64Å; H1077-F1114 AromaticContact CD2-CD2 3.75Å; H1077-F1114 AromaticContact CD2-CE2 3.58Å; Y1110-F1114 PolarHBondContact O-N 3.01Å; Y1110-F1114 VanDerWaalsContact O-N 3.15Å; V1111-F1114 WeakPolarHBondContact O-CB 3.28Å; V1111-F1114 PolarHBondContact O-N 2.82Å; E1112-F1114 PolarHBondContact O-N 2.69Å; F1114-E1116 VanDerWaalsContact C-N 3.33Å; F1114-Y1118 AromaticContact CD2-CD2 3.69Å; F1114-Y1118 HydrophobicContact CD2-CD2 3.69Å; F1114-Y1118 AromaticContact CD2-CE2 3.67Å; F1114-Y1118 HydrophobicContact CD2-CE2 3.67Å; F1114-Y1118 AromaticContact CE2-CD2 3.57Å; F1114-Y1118 HydrophobicContact CE2-CD2 3.57Å; F1114-Y1118 AromaticContact CE2-CE2 3.45Å; F1114-Y1118 HydrophobicContact CE2-CE2 3.45Å; F1114-Y1118 VanDerWaalsContact CE2-CE2 3.45Å; F1114-Y1118 HydrophobicContact CZ-CD2 4.48Å; F1114-Y1118 PolarHBondContact O-N 2.98Å; F1114-K1124 HydrophobicContact CE1-CB 3.81Å; F1114-K1124 HydrophobicContact CE1-CD 4.35Å; F1114-K1124 HydrophobicContact CE1-CG 4.07Å; F1114-K1124 HydrophobicContact CZ-CB 4.18Å; F1114-K1124 HydrophobicContact CZ-CG 4.17Å; F1114-A1126 HydrophobicContact CD1-CB 4.4Å; F1114-A1126 HydrophobicContact CE1-CB 4.26Å
1115	F	97.5	Very high	95.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-70.4	-28.3	176	-85.2	-100.3	0	0	0	113.1	N961 V1111 E1112 K1124 A1126 F1155 F1160	N961-F1115 HydrophobicContact CB-CE1 4.2Å; V1111-F1115 HydrophobicContact CG1-CD2 3.97Å; V1111-F1115 HydrophobicContact CG1-CE2 3.97Å; V1111-F1115 WeakPolarHBondContact O-CD2 3.26Å; V1111-F1115 PolarHBondContact O-N 2.73Å; V1111-F1115 VanDerWaalsContact O-N 3.11Å; E1112-F1115 PolarHBondContact O-N 3.11Å; F1115-K1124 HydrophobicContact CD1-CD 3.67Å; F1115-K1124 HydrophobicContact CD2-CD 4.43Å; F1115-K1124 HydrophobicContact CE1-CB 4.31Å; F1115-K1124 HydrophobicContact CE1-CD 3.89Å; F1115-K1124 HydrophobicContact CG-CD 3.97Å; F1115-K1124 HydrophobicContact CZ-CB 4.2Å; F1115-K1124 HydrophobicContact CZ-CD 4.37Å; F1115-A1126 HydrophobicContact CE2-CB 4.13Å; F1115-F1155 HydrophobicContact CB-CE1 4.48Å; F1115-F1155 HydrophobicContact CB-CZ 4.43Å; F1115-F1155 AromaticContact CD1-CE1 3.86Å; F1115-F1155 HydrophobicContact CD1-CE1 3.86Å; F1115-F1155 HydrophobicContact CD1-CZ 4.48Å; F1115-F1155 AromaticContact CD2-CE1 3.76Å; F1115-F1155 HydrophobicContact CD2-CE1 3.76Å; F1115-F1155 AromaticContact CD2-CZ 3.63Å; F1115-F1155 HydrophobicContact CD2-CZ 3.63Å; F1115-F1155 AromaticContact CE1-CE1 3.94Å; F1115-F1155 HydrophobicContact CE1-CE1 3.94Å; F1115-F1155 AromaticContact CE2-CE1 3.84Å; F1115-F1155 HydrophobicContact CE2-CE1 3.84Å; F1115-F1155 AromaticContact CE2-CZ 3.92Å; F1115-F1155 HydrophobicContact CE2-CZ 3.92Å; F1115-F1155 AromaticContact CG-CE1 3.77Å; F1115-F1155 HydrophobicContact CG-CE1 3.77Å; F1115-F1155 AromaticContact CG-CZ 3.94Å; F1115-F1155 HydrophobicContact CG-CZ 3.94Å; F1115-F1155 AromaticContact CZ-CE1 3.93Å; F1115-F1155 HydrophobicContact CZ-CE1 3.93Å; F1115-F1155 HydrophobicContact CZ-CZ 4.47Å; F1115-F1160 HydrophobicContact CB-CD1 4.18Å; F1115-F1160 HydrophobicContact CB-CD2 4.31Å; F1115-F1160 HydrophobicContact CB-CE1 4.03Å; F1115-F1160 HydrophobicContact CB-CE2 4.15Å; F1115-F1160 HydrophobicContact CB-CG 4.35Å; F1115-F1160 HydrophobicContact CB-CZ 4.02Å; F1115-F1160 HydrophobicContact CD1-CB 4.33Å; F1115-F1160 AromaticContact CD1-CD1 3.99Å; F1115-F1160 HydrophobicContact CD1-CD1 3.99Å; F1115-F1160 HydrophobicContact CD1-CG 4.18Å; F1115-F1160 WeakPolarHBondContact O-CE1 3.47Å
1116	E	96.5	Very high	95.9	Very high	40 Å²	40	20.8 Å²	20.8	19%	0.187	11%	0.105	C	C	.	.	H	α-helix	trans	-83.9	-23.2	176.6	-73	-166.9	136.2	0	0	114.6	R870 K871 E1112 D1113 F1114 F1154 K1158 F1160	R870-E1116 IonicContact NH1-OE2 2.65Å; K871-E1116 VanDerWaalsContact CE-O 3.28Å; K871-E1116 WeakPolarHBondContact CE-O 3.42Å; K871-E1116 PolarHBondContact NZ-O 3.35Å; E1112-E1116 WeakPolarHBondContact O-CG 3.47Å; E1112-E1116 PolarHBondContact O-N 2.93Å; D1113-E1116 PolarHBondContact O-N 3.11Å; F1114-E1116 VanDerWaalsContact C-N 3.33Å; E1116-F1154 HydrophobicContact CG-CZ 3.96Å; E1116-K1158 IonicContact OE1-NZ 2.8Å; E1116-K1158 PolarHBondContact OE1-NZ 2.89Å; E1116-F1160 HydrophobicContact CG-CE2 4.18Å; E1116-F1160 HydrophobicContact CG-CZ 3.92Å
1117	T	95.3	Very high	96	Very high	29 Å²	29	20.1 Å²	20.1	18%	0.178	10%	0.101	C	C	.	.	H	α-helix	trans	-81.8	-44.3	-177.3	-64.1	0	0	0	0	112	I940 A942 D1113	I940-T1117 HydrophobicContact CB-CG2 4.4Å; I940-T1117 HydrophobicContact CG2-CG2 3.77Å; A942-T1117 HydrophobicContact CB-CG2 3.92Å; D1113-T1117 WeakPolarHBondContact O-CB 3.13Å; D1113-T1117 PolarHBondContact O-N 3.09Å; D1113-T1117 PolarHBondContact O-OG1 2.64Å
1118	Y	94.5	Very high	96.1	Very high	8 Å²	8	20.1 Å²	20.1	3%	0.031	10%	0.101	C	C	.	.	S	Bend	trans	-85.2	142.5	179.4	-75	-78.2	0	0	0	111.8	I940 A942 K943 V946 A1050 H1077 F1114 Q1122	I940-Y1118 HydrophobicContact CG2-CE2 4.05Å; A942-Y1118 HydrophobicContact CB-CE1 4.5Å; K943-Y1118 PolarHBondContact N-OH 3.05Å; K943-Y1118 VanDerWaalsContact N-OH 3.14Å; V946-Y1118 HydrophobicContact CB-CE1 3.81Å; V946-Y1118 HydrophobicContact CG1-CD1 4.02Å; V946-Y1118 HydrophobicContact CG1-CE1 3.57Å; V946-Y1118 HydrophobicContact CG2-CE1 4.22Å; A1050-Y1118 HydrophobicContact CB-CD1 4.38Å; A1050-Y1118 HydrophobicContact CB-CD2 4.21Å; A1050-Y1118 HydrophobicContact CB-CE1 4.38Å; A1050-Y1118 HydrophobicContact CB-CE2 4.22Å; A1050-Y1118 HydrophobicContact CB-CG 4.3Å; H1077-Y1118 AromaticContact NE2-CE2 3.31Å; H1077-Y1118 VanDerWaalsContact NE2-CE2 3.31Å; H1077-Y1118 WeakPolarHBondContact NE2-CE2 3.37Å; H1077-Y1118 AromaticContact NE2-CZ 3.49Å; H1077-Y1118 PolarHBondContact NE2-OH 3.3Å; F1114-Y1118 AromaticContact CD2-CD2 3.69Å; F1114-Y1118 HydrophobicContact CD2-CD2 3.69Å; F1114-Y1118 AromaticContact CD2-CE2 3.67Å; F1114-Y1118 HydrophobicContact CD2-CE2 3.67Å; F1114-Y1118 AromaticContact CE2-CD2 3.57Å; F1114-Y1118 HydrophobicContact CE2-CD2 3.57Å; F1114-Y1118 AromaticContact CE2-CE2 3.45Å; F1114-Y1118 HydrophobicContact CE2-CE2 3.45Å; F1114-Y1118 VanDerWaalsContact CE2-CE2 3.45Å; F1114-Y1118 HydrophobicContact CZ-CD2 4.48Å; F1114-Y1118 PolarHBondContact O-N 2.98Å; Y1118-Q1122 HydrophobicContact CD1-CG 4.03Å; Y1118-Q1122 HydrophobicContact CG-CG 4.38Å
1119	P	91.9	Very high	96.1	Very high	74 Å²	74	20.1 Å²	20.1	48%	0.481	10%	0.101	S	C	.	.			trans	-55.6	161.9	177.7	-24.8	33.9	0	0	0	113.8	E1121 Q1122 K1124	P1119-E1121 WeakPolarHBondContact CB-OE2 3.42Å; P1119-E1121 PolarHBondContact O-N 3.23Å; P1119-Q1122 WeakPolarHBondContact O-CB 3.38Å; P1119-Q1122 PolarHBondContact O-N 3.12Å; P1119-K1124 PolarHBondContact O-NZ 2.92Å
1120	R	90.3	Very high	96	Very high	82 Å²	82	19.4 Å²	19.4	31%	0.309	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.3	-179.5	-75.8	-60.3	-158.9	143	2.6	113.2	R958 Q1122 K1158 G1159 F1160 D1163	R958-R1120 PolarHBondContact NH1-O 2.95Å; R1120-Q1122 VanDerWaalsContact C-N 3.31Å; R1120-K1158 PolarHBondContact NH2-O 2.7Å; R1120-G1159 PolarHBondContact NH1-O 3.24Å; R1120-G1159 VanDerWaalsContact NH2-C 3.35Å; R1120-G1159 PolarHBondContact NH2-O 3.11Å; R1120-F1160 VanDerWaalsContact NH1-CD1 3.31Å; R1120-D1163 IonicContact NH1-OD1 2.65Å; R1120-D1163 IonicContact NH1-OD2 3.33Å
1121	E	88.5	Confident	95.8	Very high	141 Å²	141	19.5 Å²	19.5	66%	0.659	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.9	-179.6	-60.4	68.2	-147	0	0	111.4	P1119 P1123	P1119-E1121 WeakPolarHBondContact CB-OE2 3.42Å; P1119-E1121 PolarHBondContact O-N 3.23Å; E1121-P1123 WeakPolarHBondContact O-CD 3.34Å
1122	Q	92.4	Very high	95.4	Very high	16 Å²	16	20.5 Å²	20.5	8%	0.075	10%	0.102	C	C	.	.	S	Bend	trans	-79.1	115	178.8	-177	59.2	54.4	0	0	110.4	V946 G1048 A1050 Y1118 P1119 R1120 K1124	V946-Q1122 HydrophobicContact CG1-CG 3.99Å; V946-Q1122 PolarHBondContact O-OE1 2.67Å; G1048-Q1122 PolarHBondContact O-NE2 3.44Å; A1050-Q1122 HydrophobicContact CB-CG 4.24Å; Y1118-Q1122 HydrophobicContact CD1-CG 4.03Å; Y1118-Q1122 HydrophobicContact CG-CG 4.38Å; P1119-Q1122 WeakPolarHBondContact O-CB 3.38Å; P1119-Q1122 PolarHBondContact O-N 3.12Å; R1120-Q1122 VanDerWaalsContact C-N 3.31Å; Q1122-K1124 PolarHBondContact O-NZ 3.15Å
1123	P	95.4	Very high	95	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.019	10%	0.102	C	C	.	.			trans	-69.2	143.6	177.2	27.8	-33.6	0	0	0	111.4	V950 P959 Y1049 A1050 E1121	V950-P1123 HydrophobicContact CG1-CG 3.94Å; V950-P1123 HydrophobicContact CG2-CG 4.14Å; P959-P1123 HydrophobicContact CB-CB 4.08Å; P959-P1123 HydrophobicContact CB-CG 4.45Å; P959-P1123 HydrophobicContact CG-CG 4.46Å; Y1049-P1123 CarbonylContact C-O 3.55Å; Y1049-P1123 WeakPolarHBondContact CA-O 3.47Å; Y1049-P1123 HydrophobicContact CD1-CB 3.84Å; Y1049-P1123 HydrophobicContact CD2-CB 3.98Å; Y1049-P1123 HydrophobicContact CD2-CG 3.93Å; Y1049-P1123 HydrophobicContact CE1-CB 3.73Å; Y1049-P1123 HydrophobicContact CE2-CB 3.89Å; Y1049-P1123 HydrophobicContact CE2-CG 4.12Å; Y1049-P1123 HydrophobicContact CG-CB 3.96Å; Y1049-P1123 HydrophobicContact CG-CG 4.13Å; A1050-P1123 PolarHBondContact N-O 3.14Å; E1121-P1123 WeakPolarHBondContact O-CD 3.34Å
1124	K	97.2	Very high	94.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.8	-171.5	-64.5	169	-166	70.3	0	111.3	N961 I962 A1050 F1114 F1115 P1119 Q1122	N961-K1124 CarbonylContact C-O 3.58Å; N961-K1124 VanDerWaalsContact CA-O 3.31Å; N961-K1124 WeakPolarHBondContact CA-O 3.47Å; N961-K1124 HydrophobicContact CB-CB 4.46Å; N961-K1124 PolarHBondContact OD1-N 2.91Å; I962-K1124 PolarHBondContact N-O 2.84Å; A1050-K1124 HydrophobicContact CB-CG 4.46Å; F1114-K1124 HydrophobicContact CE1-CB 3.81Å; F1114-K1124 HydrophobicContact CE1-CD 4.35Å; F1114-K1124 HydrophobicContact CE1-CG 4.07Å; F1114-K1124 HydrophobicContact CZ-CB 4.18Å; F1114-K1124 HydrophobicContact CZ-CG 4.17Å; F1115-K1124 HydrophobicContact CD1-CD 3.67Å; F1115-K1124 HydrophobicContact CD2-CD 4.43Å; F1115-K1124 HydrophobicContact CE1-CB 4.31Å; F1115-K1124 HydrophobicContact CE1-CD 3.89Å; F1115-K1124 HydrophobicContact CG-CD 3.97Å; F1115-K1124 HydrophobicContact CZ-CB 4.2Å; F1115-K1124 HydrophobicContact CZ-CD 4.37Å; P1119-K1124 PolarHBondContact O-NZ 2.92Å; Q1122-K1124 PolarHBondContact O-NZ 3.15Å
1125	F	98.3	Very high	93.6	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.4	168.4	173.8	-96.1	0	0	0	108.9	I962 L1013 I1040 W1041 L1044 Y1049 A1050 T1051 L1052 F1127	I962-F1125 HydrophobicContact CB-CD2 3.93Å; I962-F1125 HydrophobicContact CG2-CD2 3.83Å; I962-F1125 HydrophobicContact CG2-CE2 3.99Å; I962-F1125 WeakPolarHBondContact O-CA 3.46Å; L1013-F1125 HydrophobicContact CD2-CZ 4.34Å; I1040-F1125 HydrophobicContact CG2-CZ 4.36Å; W1041-F1125 HydrophobicContact CB-CD1 3.9Å; W1041-F1125 HydrophobicContact CB-CE1 3.81Å; W1041-F1125 HydrophobicContact CE3-CE1 4.08Å; W1041-F1125 HydrophobicContact CE3-CZ 4.47Å; L1044-F1125 HydrophobicContact CD1-CB 3.91Å; L1044-F1125 HydrophobicContact CD1-CD1 4.43Å; L1044-F1125 HydrophobicContact CD1-CD2 3.36Å; L1044-F1125 HydrophobicContact CD1-CE2 3.99Å; L1044-F1125 HydrophobicContact CD1-CG 3.64Å; Y1049-F1125 HydrophobicContact CD1-CB 4.02Å; A1050-F1125 PolarHBondContact O-N 3.37Å; T1051-F1125 CarbonylContact C-O 3.46Å; T1051-F1125 WeakPolarHBondContact CA-O 3.39Å; T1051-F1125 HydrophobicContact CG2-CB 4.45Å; L1052-F1125 PolarHBondContact N-O 3.48Å; F1125-F1127 HydrophobicContact CE1-CB 4.05Å; F1125-F1127 HydrophobicContact CZ-CB 4.12Å
1126	A	98.7	Very high	92.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.8	176.7	0	0	0	0	0	110.3	I962 Y963 M964 L1052 V1111 F1114 F1115	I962-A1126 PolarHBondContact O-N 3.48Å; Y963-A1126 WeakPolarHBondContact CA-O 3.23Å; Y963-A1126 HydrophobicContact CD2-CB 3.72Å; Y963-A1126 HydrophobicContact CE2-CB 4.31Å; Y963-A1126 HydrophobicContact CG-CB 4.34Å; M964-A1126 PolarHBondContact N-O 2.77Å; L1052-A1126 HydrophobicContact CB-CB 4.48Å; L1052-A1126 HydrophobicContact CD2-CB 4.44Å; V1111-A1126 HydrophobicContact CG1-CB 4.15Å; F1114-A1126 HydrophobicContact CD1-CB 4.4Å; F1114-A1126 HydrophobicContact CE1-CB 4.26Å; F1115-A1126 HydrophobicContact CE2-CB 4.13Å
1127	F	98.6	Very high	92	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111	169.9	-174.2	-86.5	0	0	0	108.6	M964 L1009 L1013 L1052 Y1053 A1054 F1125 F1129 F1169	M964-F1127 HydrophobicContact CB-CD2 4.01Å; M964-F1127 HydrophobicContact SD-CD2 4.08Å; M964-F1127 HydrophobicContact SD-CE2 4.45Å; L1009-F1127 HydrophobicContact CD1-CE1 4.1Å; L1009-F1127 HydrophobicContact CD1-CZ 3.77Å; L1009-F1127 HydrophobicContact CD2-CE2 4.33Å; L1009-F1127 HydrophobicContact CD2-CZ 3.72Å; L1009-F1127 HydrophobicContact CG-CZ 4.33Å; L1013-F1127 HydrophobicContact CD1-CE2 4.25Å; L1013-F1127 HydrophobicContact CD1-CZ 4.34Å; L1013-F1127 HydrophobicContact CD2-CD2 3.98Å; L1013-F1127 HydrophobicContact CD2-CE2 4.12Å; L1013-F1127 HydrophobicContact CG-CE2 4.47Å; L1052-F1127 PolarHBondContact O-N 3.26Å; Y1053-F1127 CarbonylContact C-O 3Å; Y1053-F1127 WeakPolarHBondContact CA-O 3.47Å; Y1053-F1127 HydrophobicContact CD2-CB 4.34Å; Y1053-F1127 AromaticContact CD2-CD1 3.73Å; Y1053-F1127 HydrophobicContact CD2-CD1 3.73Å; Y1053-F1127 HydrophobicContact CD2-CE1 4.46Å; Y1053-F1127 HydrophobicContact CD2-CG 4.3Å; Y1053-F1127 AromaticContact CE2-CD1 3.48Å; Y1053-F1127 HydrophobicContact CE2-CD1 3.48Å; Y1053-F1127 VanDerWaalsContact CE2-CD1 3.48Å; Y1053-F1127 AromaticContact CE2-CE1 3.77Å; Y1053-F1127 HydrophobicContact CE2-CE1 3.77Å; Y1053-F1127 HydrophobicContact CE2-CG 4.34Å; Y1053-F1127 HydrophobicContact CG-CD1 4.43Å; A1054-F1127 PolarHBondContact N-O 3.43Å; F1125-F1127 HydrophobicContact CE1-CB 4.05Å; F1125-F1127 HydrophobicContact CZ-CB 4.12Å; F1127-F1129 HydrophobicContact CD1-CB 4.49Å; F1127-F1129 HydrophobicContact CE1-CB 3.82Å; F1127-F1129 HydrophobicContact CE1-CD2 4.27Å; F1127-F1129 HydrophobicContact CE1-CG 4.22Å; F1127-F1129 HydrophobicContact CZ-CD2 4.15Å; F1127-F1169 HydrophobicContact CE2-CE1 4.15Å; F1127-F1169 AromaticContact CE2-CZ 3.61Å; F1127-F1169 HydrophobicContact CE2-CZ 3.61Å; F1127-F1169 AromaticContact CZ-CZ 3.73Å; F1127-F1169 HydrophobicContact CZ-CZ 3.73Å
1128	Q	98.1	Very high	91.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.3	179.5	-172.2	-175	66.4	0	0	109.9	Y963 M964 L965 G966 A1054 Q1107 V1111 H1130	Y963-Q1128 HydrophobicContact CE2-CB 3.99Å; Y963-Q1128 PolarHBondContact OH-OE1 2.85Å; M964-Q1128 PolarHBondContact O-N 3.23Å; L965-Q1128 HydrophobicContact CD1-CG 4.46Å; G966-Q1128 PolarHBondContact N-O 3.47Å; A1054-Q1128 HydrophobicContact CB-CG 4.25Å; A1054-Q1128 CarbonylContact O-C 3.52Å; A1054-Q1128 WeakPolarHBondContact O-CA 3.48Å; Q1107-Q1128 VanDerWaalsContact C-NE2 3.26Å; Q1107-Q1128 HydrophobicContact CG-CG 4.08Å; Q1107-Q1128 PolarHBondContact O-NE2 2.6Å; V1111-Q1128 HydrophobicContact CG2-CB 4.23Å; V1111-Q1128 HydrophobicContact CG2-CG 4.29Å; V1111-Q1128 VanDerWaalsContact CG2-NE2 3.3Å; Q1128-H1130 VanDerWaalsContact CD-NE2 3.28Å; Q1128-H1130 PolarHBondContact OE1-NE2 3.32Å
1129	F	97.3	Very high	91.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	123.5	-173.4	-157.2	-109.8	0	0	0	110.7	G966 D968 T1005 L1009 A1054 E1055 Q1107 F1127 F1169 D1171	G966-F1129 WeakPolarHBondContact O-CA 3.44Å; D968-F1129 HydrophobicContact CB-CE1 3.53Å; D968-F1129 HydrophobicContact CB-CZ 3.68Å; T1005-F1129 HydrophobicContact CG2-CE1 3.52Å; T1005-F1129 HydrophobicContact CG2-CZ 3.69Å; L1009-F1129 HydrophobicContact CD1-CD1 4.43Å; L1009-F1129 HydrophobicContact CD1-CD2 4.44Å; L1009-F1129 HydrophobicContact CD1-CE1 4.29Å; L1009-F1129 HydrophobicContact CD1-CE2 4.34Å; L1009-F1129 HydrophobicContact CD1-CZ 4.26Å; L1009-F1129 HydrophobicContact CD2-CE2 4.14Å; A1054-F1129 PolarHBondContact O-N 2.98Å; E1055-F1129 WeakPolarHBondContact CA-O 3.43Å; E1055-F1129 HydrophobicContact CG-CB 4.49Å; E1055-F1129 HydrophobicContact CG-CD1 4.33Å; Q1107-F1129 PolarHBondContact NE2-O 3.07Å; F1127-F1129 HydrophobicContact CD1-CB 4.49Å; F1127-F1129 HydrophobicContact CE1-CB 3.82Å; F1127-F1129 HydrophobicContact CE1-CD2 4.27Å; F1127-F1129 HydrophobicContact CE1-CG 4.22Å; F1127-F1129 HydrophobicContact CZ-CD2 4.15Å; F1129-F1169 HydrophobicContact CD2-CE2 4.4Å; F1129-F1169 AromaticContact CD2-CZ 3.92Å; F1129-F1169 HydrophobicContact CD2-CZ 3.92Å; F1129-F1169 HydrophobicContact CE2-CE2 4.03Å; F1129-F1169 HydrophobicContact CE2-CZ 4.03Å; F1129-D1171 HydrophobicContact CE2-CB 4.32Å; F1129-D1171 HydrophobicContact CZ-CB 3.88Å
1130	H	96	Very high	91.3	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.1	-176.5	-64.7	-87.9	0	0	0	111	G966 F967 D968 Q1128	G966-H1130 PolarHBondContact O-N 2.92Å; F967-H1130 CarbonylContact C-O 3.57Å; F967-H1130 VanDerWaalsContact CA-O 3.28Å; F967-H1130 WeakPolarHBondContact CA-O 3.46Å; F967-H1130 HydrophobicContact CD1-CB 3.93Å; F967-H1130 HydrophobicContact CE1-CB 4.22Å; D968-H1130 PolarHBondContact N-O 3.48Å; Q1128-H1130 VanDerWaalsContact CD-NE2 3.28Å; Q1128-H1130 PolarHBondContact OE1-NE2 3.32Å
1131	S	92.7	Very high	91.5	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	11%	0.108	C	C	.	.			trans	-121.4	-29.4	-178.3	-40.7	0	0	0	0	111.6	D1056 Y1133 S1134 H1135	D1056-S1131 VanDerWaalsContact CG-N 3.31Å; D1056-S1131 WeakPolarHBondContact OD1-CA 3.37Å; D1056-S1131 VanDerWaalsContact OD1-CB 3.23Å; D1056-S1131 WeakPolarHBondContact OD1-CB 3.2Å; D1056-S1131 PolarHBondContact OD1-N 2.85Å; D1056-S1131 PolarHBondContact OD1-OG 3.39Å; D1056-S1131 PolarHBondContact OD2-N 3.18Å; D1056-S1131 VanDerWaalsContact OD2-N 3.16Å; S1131-Y1133 VanDerWaalsContact C-N 3.29Å; S1131-Y1133 PolarHBondContact O-N 3.35Å; S1131-S1134 PolarHBondContact O-N 2.98Å; S1131-H1135 WeakPolarHBondContact O-CB 3.45Å; S1131-H1135 PolarHBondContact O-N 3.01Å
1132	M	90.3	Very high	91.7	Very high	21 Å²	21	18 Å²	18	10%	0.103	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-42.5	-171.8	-171.8	68.9	72.1	0	0	113.5	D1056 M1057 Q1094 Q1103	D1056-M1132 WeakPolarHBondContact OD2-CB 3.2Å; D1056-M1132 PolarHBondContact OD2-N 3.16Å; M1057-M1132 HydrophobicContact CG-CB 4.25Å; M1057-M1132 HydrophobicContact CG-CE 3.89Å; M1057-M1132 HydrophobicContact CG-SD 4.05Å; M1057-M1132 HydrophobicContact SD-SD 4.48Å; Q1094-M1132 HydrophobicContact CB-CE 3.85Å; Q1094-M1132 HydrophobicContact CB-SD 3.6Å; Q1094-M1132 VanDerWaalsContact CB-SD 3.6Å; Q1094-M1132 HydrophobicContact CG-CE 4.16Å; Q1094-M1132 HydrophobicContact CG-SD 3.88Å; Q1103-M1132 VanDerWaalsContact OE1-CB 3.28Å; Q1103-M1132 VanDerWaalsContact OE1-CE 3.24Å
1133	Y	89.4	Confident	91.8	Very high	6 Å²	6	18.7 Å²	18.7	2%	0.024	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.4	-171.9	-61.9	-89.3	0	0	0	113.2	L858 T1096 L1104 S1131 M1140 V1141 L1143	L858-Y1133 HydrophobicContact CD2-CE1 4.3Å; T1096-Y1133 PolarHBondContact O-OH 2.88Å; L1104-Y1133 HydrophobicContact CB-CD2 4.19Å; L1104-Y1133 HydrophobicContact CB-CE2 3.54Å; L1104-Y1133 HydrophobicContact CD1-CD2 4.24Å; L1104-Y1133 HydrophobicContact CD1-CE2 4.39Å; L1104-Y1133 HydrophobicContact CG-CE2 4.49Å; L1104-Y1133 PolarHBondContact N-OH 3.49Å; S1131-Y1133 VanDerWaalsContact C-N 3.29Å; S1131-Y1133 PolarHBondContact O-N 3.35Å; Y1133-M1140 CarbonylContact O-C 3.55Å; Y1133-M1140 WeakPolarHBondContact O-CB 3.31Å; Y1133-V1141 VanDerWaalsContact O-CA 3.31Å; Y1133-V1141 WeakPolarHBondContact O-CA 3.26Å; Y1133-V1141 PolarHBondContact O-N 3.47Å; Y1133-L1143 HydrophobicContact CD1-CB 4.28Å; Y1133-L1143 HydrophobicContact CD1-CD1 4.22Å; Y1133-L1143 HydrophobicContact CE1-CD1 4.41Å
1134	S	86.2	Confident	91.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-26.3	-173.8	41	0	0	0	0	114.9	D968 S1131	D968-S1134 CarbonylContact O-C 3.55Å; D968-S1134 VanDerWaalsContact O-C 3.31Å; D968-S1134 VanDerWaalsContact O-CB 3.26Å; D968-S1134 WeakPolarHBondContact O-CB 3.42Å; D968-S1134 PolarHBondContact O-OG 2.93Å; S1131-S1134 PolarHBondContact O-N 2.98Å
1135	H	80.2	Confident	91.8	Very high	37 Å²	37	19.6 Å²	19.6	17%	0.171	10%	0.099	C	C	.	.	S	Bend	trans	-68.8	-45.8	-170.5	178.8	-85.5	0	0	0	113	D968 M1057 S1131 F1176	D968-H1135 WeakPolarHBondContact O-CA 3.33Å; D968-H1135 PolarHBondContact O-N 2.82Å; D968-H1135 IonicContact OD1-CD2 2.74Å; D968-H1135 IonicContact OD2-CD2 3.6Å; D968-H1135 PolarHBondContact OD2-CD2 3.44Å; M1057-H1135 HydrophobicContact SD-CB 4.26Å; S1131-H1135 WeakPolarHBondContact O-CB 3.45Å; S1131-H1135 PolarHBondContact O-N 3.01Å; H1135-F1176 AromaticContact CE1-CZ 3.69Å
1136	N	79.5	Confident	91.6	Very high	86 Å²	86	21.3 Å²	21.3	46%	0.46	12%	0.118	S	C	.	.	S	Bend	trans	-88.3	-38.4	-174.6	-65.8	-27	0	0	0	113.2
1137	D	82.1	Confident	91.5	Very high	63 Å²	63	23.3 Å²	23.3	34%	0.337	13%	0.13	S	C	.	.			trans	-136.6	117.1	175.3	-177.7	-0.1	0	0	0	109.3	N1139 M1140	D1137-N1139 PolarHBondContact O-N 3.37Å; D1137-N1139 WeakPolarHBondContact OD1-CB 3.45Å; D1137-N1139 PolarHBondContact OD1-N 2.81Å; D1137-N1139 PolarHBondContact OD1-ND2 3.09Å; D1137-M1140 HydrophobicContact CB-CG 3.95Å; D1137-M1140 WeakPolarHBondContact O-CB 3.38Å; D1137-M1140 PolarHBondContact O-N 2.83Å
1138	F	85.2	Confident	91.4	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.039	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.8	-179.6	78	-85.6	0	0	0	112.9	L851 V852 T974 V1141 V1179	L851-F1138 HydrophobicContact CB-CE1 4.41Å; L851-F1138 HydrophobicContact CB-CZ 4.14Å; L851-F1138 VanDerWaalsContact O-CZ 3.3Å; L851-F1138 WeakPolarHBondContact O-CZ 3.34Å; V852-F1138 HydrophobicContact CG2-CE2 4.03Å; V852-F1138 HydrophobicContact CG2-CZ 4.34Å; T974-F1138 HydrophobicContact CG2-CD2 4Å; F1138-V1141 VanDerWaalsContact O-CG1 3.25Å; F1138-V1141 WeakPolarHBondContact O-CG1 3.46Å; F1138-V1179 HydrophobicContact CD1-CG1 4.29Å; F1138-V1179 HydrophobicContact CE1-CB 4.37Å; F1138-V1179 HydrophobicContact CE1-CG1 4.42Å
1139	N	90.2	Very high	91.4	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.032	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-29.9	177.1	-71	-65.7	0	0	0	112.6	L851 V852 T853 V855 K978 D1137 V1141 E1142	L851-N1139 PolarHBondContact O-ND2 2.92Å; L851-N1139 VanDerWaalsContact O-ND2 3.14Å; V852-N1139 WeakPolarHBondContact CA-OD1 3.25Å; T853-N1139 PolarHBondContact N-OD1 3.35Å; T853-N1139 PolarHBondContact O-OD1 2.93Å; T853-N1139 VanDerWaalsContact O-OD1 3.11Å; T853-N1139 PolarHBondContact OG1-ND2 2.82Å; V855-N1139 HydrophobicContact CG2-CB 3.78Å; V855-N1139 WeakPolarHBondContact CG2-O 3.27Å; K978-N1139 WeakPolarHBondContact CE-OD1 3.35Å; K978-N1139 PolarHBondContact NZ-OD1 3.07Å; D1137-N1139 PolarHBondContact O-N 3.37Å; D1137-N1139 WeakPolarHBondContact OD1-CB 3.45Å; D1137-N1139 PolarHBondContact OD1-N 2.81Å; D1137-N1139 PolarHBondContact OD1-ND2 3.09Å; N1139-V1141 PolarHBondContact O-N 3.19Å; N1139-V1141 VanDerWaalsContact O-N 3.1Å; N1139-E1142 WeakPolarHBondContact O-CB 3.44Å; N1139-E1142 PolarHBondContact O-N 2.96Å
1140	M	90.9	Very high	91.4	Very high	60 Å²	60	28.3 Å²	28.3	30%	0.296	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-62.1	-19.7	-177.8	-72.1	-70.1	-69.4	0	0	113	V855 Y1133 D1137 E1142 L1143	V855-M1140 HydrophobicContact CG1-SD 3.51Å; V855-M1140 VanDerWaalsContact CG1-SD 3.51Å; V855-M1140 HydrophobicContact CG2-SD 4.3Å; Y1133-M1140 CarbonylContact O-C 3.55Å; Y1133-M1140 WeakPolarHBondContact O-CB 3.31Å; D1137-M1140 HydrophobicContact CB-CG 3.95Å; D1137-M1140 WeakPolarHBondContact O-CB 3.38Å; D1137-M1140 PolarHBondContact O-N 2.83Å; M1140-E1142 PolarHBondContact O-N 3.36Å; M1140-E1142 VanDerWaalsContact O-N 3.15Å; M1140-L1143 HydrophobicContact CE-CD1 3.73Å; M1140-L1143 WeakPolarHBondContact O-CB 3.5Å; M1140-L1143 WeakPolarHBondContact O-CG 3.34Å; M1140-L1143 PolarHBondContact O-N 3.3Å; M1140-L1143 HydrophobicContact SD-CD1 4.28Å
1141	V	93.6	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-67.1	-17	-179.5	82.1	0	0	0	0	112.3	F967 V970 K978 L979 Y1133 F1138 N1139 L1143 A1144	F967-V1141 HydrophobicContact CD1-CG2 4.31Å; V970-V1141 HydrophobicContact CG2-CG2 4.02Å; K978-V1141 HydrophobicContact CB-CG1 3.56Å; K978-V1141 HydrophobicContact CG-CG1 4.16Å; L979-V1141 HydrophobicContact CD1-CB 4.38Å; L979-V1141 HydrophobicContact CD1-CG1 3.75Å; L979-V1141 HydrophobicContact CD1-CG2 3.77Å; L979-V1141 HydrophobicContact CG-CG2 4.46Å; Y1133-V1141 VanDerWaalsContact O-CA 3.31Å; Y1133-V1141 WeakPolarHBondContact O-CA 3.26Å; Y1133-V1141 PolarHBondContact O-N 3.47Å; F1138-V1141 VanDerWaalsContact O-CG1 3.25Å; F1138-V1141 WeakPolarHBondContact O-CG1 3.46Å; N1139-V1141 PolarHBondContact O-N 3.19Å; N1139-V1141 VanDerWaalsContact O-N 3.1Å; V1141-L1143 PolarHBondContact O-N 3.39Å; V1141-A1144 WeakPolarHBondContact O-CB 3.38Å; V1141-A1144 PolarHBondContact O-N 3.3Å
1142	E	94.2	Very high	91.8	Very high	61 Å²	61	28.1 Å²	28.1	29%	0.285	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-55.7	-32.1	170.9	-173.9	170.2	-165.7	0	0	112.1	S854 V855 K978 N1139 M1140 A1144 D1145	S854-E1142 WeakPolarHBondContact CA-OE2 3.4Å; S854-E1142 PolarHBondContact OG-OE1 3.29Å; V855-E1142 PolarHBondContact N-OE2 2.85Å; V855-E1142 VanDerWaalsContact N-OE2 3.1Å; K978-E1142 HydrophobicContact CD-CB 4.27Å; K978-E1142 IonicContact NZ-OE2 2.66Å; K978-E1142 PolarHBondContact NZ-OE2 3.38Å; N1139-E1142 WeakPolarHBondContact O-CB 3.44Å; N1139-E1142 PolarHBondContact O-N 2.96Å; M1140-E1142 PolarHBondContact O-N 3.36Å; M1140-E1142 VanDerWaalsContact O-N 3.15Å; E1142-A1144 PolarHBondContact O-N 3.19Å; E1142-D1145 PolarHBondContact O-N 3.37Å
1143	L	94	Very high	92.2	Very high	31 Å²	31	30.8 Å²	30.8	16%	0.162	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-67	-16.8	176.7	-60.8	177.2	0	0	0	113	V855 L858 Y1133 M1140 V1141 P1147	V855-L1143 HydrophobicContact CG1-CD1 3.99Å; V855-L1143 HydrophobicContact CG1-CD2 4.17Å; V855-L1143 HydrophobicContact CG1-CG 4.05Å; L858-L1143 HydrophobicContact CB-CD1 4.3Å; Y1133-L1143 HydrophobicContact CD1-CB 4.28Å; Y1133-L1143 HydrophobicContact CD1-CD1 4.22Å; Y1133-L1143 HydrophobicContact CE1-CD1 4.41Å; M1140-L1143 HydrophobicContact CE-CD1 3.73Å; M1140-L1143 WeakPolarHBondContact O-CB 3.5Å; M1140-L1143 WeakPolarHBondContact O-CG 3.34Å; M1140-L1143 PolarHBondContact O-N 3.3Å; M1140-L1143 HydrophobicContact SD-CD1 4.28Å; V1141-L1143 PolarHBondContact O-N 3.39Å; L1143-P1147 WeakPolarHBondContact O-CD 3.28Å
1144	A	95.2	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-89.3	-13.4	178.4	0	0	0	0	0	114.1	F967 L1104 V1141 E1142 T1148	F967-A1144 HydrophobicContact CE1-CB 4.04Å; L1104-A1144 HydrophobicContact CD1-CB 4.3Å; L1104-A1144 HydrophobicContact CD2-CB 3.71Å; V1141-A1144 WeakPolarHBondContact O-CB 3.38Å; V1141-A1144 PolarHBondContact O-N 3.3Å; E1142-A1144 PolarHBondContact O-N 3.19Å; A1144-T1148 WeakPolarHBondContact O-CB 3.28Å; A1144-T1148 PolarHBondContact O-N 3.47Å; A1144-T1148 PolarHBondContact O-OG1 2.66Å
1145	D	96.3	Very high	93.1	Very high	21 Å²	21	32 Å²	32	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-55.6	-172.4	-162.8	17.9	0	0	0	112	L979 K980 E981 T982 E1142 T1148 V1149	L979-D1145 VanDerWaalsContact CA-CG 3.42Å; L979-D1145 VanDerWaalsContact CA-OD1 3.28Å; L979-D1145 WeakPolarHBondContact CA-OD1 3.5Å; K980-D1145 PolarHBondContact N-OD2 2.79Å; E981-D1145 PolarHBondContact N-OD1 3.47Å; E981-D1145 PolarHBondContact N-OD2 2.86Å; T982-D1145 VanDerWaalsContact CB-OD1 3.28Å; T982-D1145 WeakPolarHBondContact CB-OD1 3.3Å; T982-D1145 PolarHBondContact N-OD1 3.1Å; T982-D1145 PolarHBondContact OG1-O 3.27Å; T982-D1145 PolarHBondContact OG1-OD1 3.47Å; E1142-D1145 PolarHBondContact O-N 3.37Å; D1145-T1148 PolarHBondContact O-N 3.43Å; D1145-V1149 WeakPolarHBondContact O-CG2 3.01Å; D1145-V1149 PolarHBondContact O-N 3.03Å
1146	G	95.2	Very high	93.9	Very high	38 Å²	38	33.9 Å²	33.9	39%	0.392	18%	0.184	S	C	.	.	H	α-helix	trans	-59.4	-56.4	178.6	0	0	0	0	0	113.4	T1148 V1149 D1150	G1146-T1148 VanDerWaalsContact C-N 3.26Å; G1146-T1148 PolarHBondContact O-N 2.71Å; G1146-V1149 WeakPolarHBondContact O-CB 3.12Å; G1146-V1149 PolarHBondContact O-N 2.91Å; G1146-V1149 VanDerWaalsContact O-N 3.11Å; G1146-D1150 PolarHBondContact O-N 3.15Å
1147	P	95.8	Very high	94.8	Very high	41 Å²	41	37 Å²	37	27%	0.266	20%	0.196	S	C	.	.	H	α-helix	trans	-58.4	-34.6	179.3	-28.1	36.9	0	0	0	114	L1104 L1108 L1143 D1150 H1151	L1104-P1147 HydrophobicContact CD2-CB 3.74Å; L1104-P1147 HydrophobicContact CD2-CG 3.93Å; L1108-P1147 HydrophobicContact CD1-CB 4.03Å; L1143-P1147 WeakPolarHBondContact O-CD 3.28Å; P1147-D1150 PolarHBondContact O-N 3.02Å; P1147-H1151 WeakPolarHBondContact O-CB 3.26Å; P1147-H1151 PolarHBondContact O-N 3.44Å
1148	T	97.2	Very high	95.4	Very high	3 Å²	3	39 Å²	39	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-69.5	-40.2	176.6	-56.4	0	0	0	0	111.4	L965 T982 A1144 D1145 G1146 D1150 H1151 L1152	L965-T1148 HydrophobicContact CD2-CG2 3.94Å; T982-T1148 HydrophobicContact CG2-CG2 3.68Å; A1144-T1148 WeakPolarHBondContact O-CB 3.28Å; A1144-T1148 PolarHBondContact O-N 3.47Å; A1144-T1148 PolarHBondContact O-OG1 2.66Å; D1145-T1148 PolarHBondContact O-N 3.43Å; G1146-T1148 VanDerWaalsContact C-N 3.26Å; G1146-T1148 PolarHBondContact O-N 2.71Å; T1148-D1150 VanDerWaalsContact C-N 3.34Å; T1148-D1150 PolarHBondContact O-N 3.31Å; T1148-H1151 WeakPolarHBondContact O-CB 3.22Å; T1148-H1151 PolarHBondContact O-N 3.18Å; T1148-L1152 WeakPolarHBondContact O-CG 3.27Å; T1148-L1152 PolarHBondContact O-N 3.45Å
1149	V	97.9	Very high	96	Very high	15 Å²	15	39.2 Å²	39.2	9%	0.091	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-45.6	173.8	169.2	0	0	0	0	111.1	E981 D1145 G1146 H1151 L1152 K1153	E981-V1149 HydrophobicContact CB-CG2 3.96Å; D1145-V1149 WeakPolarHBondContact O-CG2 3.01Å; D1145-V1149 PolarHBondContact O-N 3.03Å; G1146-V1149 WeakPolarHBondContact O-CB 3.12Å; G1146-V1149 PolarHBondContact O-N 2.91Å; G1146-V1149 VanDerWaalsContact O-N 3.11Å; V1149-H1151 VanDerWaalsContact C-N 3.31Å; V1149-H1151 PolarHBondContact O-N 2.88Å; V1149-L1152 PolarHBondContact O-N 2.77Å; V1149-K1153 HydrophobicContact CG1-CD 4.37Å; V1149-K1153 WeakPolarHBondContact O-CG 3.47Å; V1149-K1153 PolarHBondContact O-N 2.77Å
1150	D	97.9	Very high	96.3	Very high	88 Å²	88	39.4 Å²	39.4	47%	0.471	21%	0.207	S	C	.	.	H	α-helix	trans	-67	-35	-179.5	-66.9	-23.8	0	0	0	111.9	G1146 P1147 T1148 K1153 F1154	G1146-D1150 PolarHBondContact O-N 3.15Å; P1147-D1150 PolarHBondContact O-N 3.02Å; T1148-D1150 VanDerWaalsContact C-N 3.34Å; T1148-D1150 PolarHBondContact O-N 3.31Å; D1150-K1153 PolarHBondContact O-N 3.16Å; D1150-K1153 IonicContact OD1-NZ 3.2Å; D1150-K1153 PolarHBondContact OD1-NZ 2.65Å; D1150-F1154 PolarHBondContact O-N 2.83Å
1151	H	98.2	Very high	96.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-44.7	170.9	-171.4	73	0	0	0	112.3	Y963 L1108 E1112 P1147 T1148 V1149 K1153 F1154 F1155	Y963-H1151 AromaticContact CE1-NE2 3.47Å; Y963-H1151 WeakPolarHBondContact CE1-NE2 3.27Å; Y963-H1151 AromaticContact CZ-NE2 3.56Å; Y963-H1151 PolarHBondContact OH-NE2 3.03Å; L1108-H1151 HydrophobicContact CD1-CB 4.36Å; L1108-H1151 HydrophobicContact CD2-CB 4.14Å; L1108-H1151 PolarHBondContact O-CE1 2.99Å; L1108-H1151 VanDerWaalsContact O-CE1 3.32Å; E1112-H1151 IonicContact OE1-CE1 3.43Å; E1112-H1151 IonicContact OE1-CG 3.09Å; E1112-H1151 IonicContact OE1-ND1 3.33Å; E1112-H1151 PolarHBondContact OE1-ND1 3.06Å; P1147-H1151 WeakPolarHBondContact O-CB 3.26Å; P1147-H1151 PolarHBondContact O-N 3.44Å; T1148-H1151 WeakPolarHBondContact O-CB 3.22Å; T1148-H1151 PolarHBondContact O-N 3.18Å; V1149-H1151 VanDerWaalsContact C-N 3.31Å; V1149-H1151 PolarHBondContact O-N 2.88Å; H1151-K1153 PolarHBondContact O-N 3.1Å; H1151-F1154 WeakPolarHBondContact O-CB 3.33Å; H1151-F1154 PolarHBondContact O-N 2.81Å; H1151-F1155 AromaticContact CE1-CE2 3.43Å; H1151-F1155 VanDerWaalsContact CE1-CE2 3.43Å; H1151-F1155 WeakPolarHBondContact CE1-CE2 3.38Å; H1151-F1155 AromaticContact NE2-CD2 3.91Å; H1151-F1155 AromaticContact NE2-CE2 3.42Å; H1151-F1155 WeakPolarHBondContact NE2-CE2 3.24Å; H1151-F1155 WeakPolarHBondContact O-CD2 3.3Å; H1151-F1155 PolarHBondContact O-N 2.88Å; H1151-F1155 VanDerWaalsContact O-N 3.1Å
1152	L	98.1	Very high	96.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-40	176.3	-69.8	174.6	0	0	0	112.2	T982 I986 L990 T1148 V1149 F1155 N1156 F1166	T982-L1152 HydrophobicContact CG2-CD1 4.17Å; I986-L1152 HydrophobicContact CD1-CD1 4.43Å; I986-L1152 HydrophobicContact CG1-CD1 3.91Å; L990-L1152 HydrophobicContact CD1-CB 4.43Å; L990-L1152 HydrophobicContact CD1-CD2 4.34Å; T1148-L1152 WeakPolarHBondContact O-CG 3.27Å; T1148-L1152 PolarHBondContact O-N 3.45Å; V1149-L1152 PolarHBondContact O-N 2.77Å; L1152-F1155 PolarHBondContact O-N 2.85Å; L1152-N1156 PolarHBondContact O-N 3.26Å; L1152-F1166 HydrophobicContact CD2-CD1 4.49Å; L1152-F1166 HydrophobicContact CD2-CE1 3.7Å; L1152-F1166 HydrophobicContact CD2-CE2 3.97Å; L1152-F1166 HydrophobicContact CD2-CZ 3.42Å; L1152-F1166 VanDerWaalsContact CD2-CZ 3.42Å
1153	K	98.1	Very high	96.7	Very high	77 Å²	77	38.6 Å²	38.6	34%	0.335	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-46.7	174	-72	175.1	-168.3	153.2	0	111.3	V1149 D1150 H1151 F1155 N1156 E1157	V1149-K1153 HydrophobicContact CG1-CD 4.37Å; V1149-K1153 WeakPolarHBondContact O-CG 3.47Å; V1149-K1153 PolarHBondContact O-N 2.77Å; D1150-K1153 PolarHBondContact O-N 3.16Å; D1150-K1153 IonicContact OD1-NZ 3.2Å; D1150-K1153 PolarHBondContact OD1-NZ 2.65Å; H1151-K1153 PolarHBondContact O-N 3.1Å; K1153-F1155 VanDerWaalsContact C-N 3.3Å; K1153-F1155 PolarHBondContact O-N 3.02Å; K1153-N1156 PolarHBondContact O-N 2.86Å; K1153-N1156 VanDerWaalsContact O-N 3.08Å; K1153-E1157 WeakPolarHBondContact O-CB 3.43Å; K1153-E1157 VanDerWaalsContact O-CG 3.32Å; K1153-E1157 WeakPolarHBondContact O-CG 3.32Å; K1153-E1157 PolarHBondContact O-N 2.82Å
1154	F	98.2	Very high	96.9	Very high	33 Å²	33	37.1 Å²	37.1	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-54	-47.7	175.9	170.4	-88.6	0	0	0	111.5	E1112 E1116 D1150 H1151 N1156 K1158 F1160	E1112-F1154 HydrophobicContact CB-CD1 4.26Å; E1112-F1154 HydrophobicContact CB-CE1 3.65Å; E1112-F1154 HydrophobicContact CB-CZ 3.85Å; E1112-F1154 HydrophobicContact CG-CD1 3.68Å; E1112-F1154 HydrophobicContact CG-CE1 3.59Å; E1112-F1154 HydrophobicContact CG-CG 4.31Å; E1112-F1154 HydrophobicContact CG-CZ 4.14Å; E1116-F1154 HydrophobicContact CG-CZ 3.96Å; D1150-F1154 PolarHBondContact O-N 2.83Å; H1151-F1154 WeakPolarHBondContact O-CB 3.33Å; H1151-F1154 PolarHBondContact O-N 2.81Å; F1154-N1156 VanDerWaalsContact C-N 3.31Å; F1154-N1156 PolarHBondContact O-N 2.82Å; F1154-K1158 HydrophobicContact CD2-CG 4.02Å; F1154-K1158 HydrophobicContact CE1-CG 4.33Å; F1154-K1158 HydrophobicContact CE2-CD 4.34Å; F1154-K1158 HydrophobicContact CE2-CG 3.81Å; F1154-K1158 HydrophobicContact CG-CG 4.39Å; F1154-K1158 HydrophobicContact CZ-CG 3.97Å; F1154-K1158 VanDerWaalsContact O-CB 3.24Å; F1154-K1158 WeakPolarHBondContact O-CB 3.41Å; F1154-K1158 VanDerWaalsContact O-CG 3.28Å; F1154-K1158 WeakPolarHBondContact O-CG 3.37Å; F1154-K1158 PolarHBondContact O-N 3.5Å; F1154-F1160 HydrophobicContact CD1-CD2 4.47Å; F1154-F1160 AromaticContact CE1-CD2 3.94Å; F1154-F1160 HydrophobicContact CE1-CD2 3.94Å; F1154-F1160 AromaticContact CE1-CE2 3.63Å; F1154-F1160 HydrophobicContact CE1-CE2 3.63Å; F1154-F1160 AromaticContact CZ-CE2 3.91Å; F1154-F1160 HydrophobicContact CZ-CE2 3.91Å
1155	F	97.9	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-37.2	177.9	-92.8	-97	0	0	0	113.1	Y963 V1111 E1112 F1115 H1151 L1152 K1153 G1159 F1160 L1161	Y963-F1155 HydrophobicContact CD1-CD1 4.41Å; Y963-F1155 AromaticContact CD1-CE1 3.79Å; Y963-F1155 HydrophobicContact CD1-CE1 3.79Å; Y963-F1155 HydrophobicContact CD1-CE2 4.38Å; Y963-F1155 AromaticContact CD1-CZ 3.78Å; Y963-F1155 HydrophobicContact CD1-CZ 3.78Å; Y963-F1155 HydrophobicContact CE1-CD2 4.48Å; Y963-F1155 HydrophobicContact CE1-CE1 4.1Å; Y963-F1155 AromaticContact CE1-CE2 3.85Å; Y963-F1155 HydrophobicContact CE1-CE2 3.85Å; Y963-F1155 AromaticContact CE1-CZ 3.64Å; Y963-F1155 HydrophobicContact CE1-CZ 3.64Å; V1111-F1155 HydrophobicContact CG1-CZ 4.16Å; E1112-F1155 HydrophobicContact CG-CE2 4.4Å; F1115-F1155 HydrophobicContact CB-CE1 4.48Å; F1115-F1155 HydrophobicContact CB-CZ 4.43Å; F1115-F1155 AromaticContact CD1-CE1 3.86Å; F1115-F1155 HydrophobicContact CD1-CE1 3.86Å; F1115-F1155 HydrophobicContact CD1-CZ 4.48Å; F1115-F1155 AromaticContact CD2-CE1 3.76Å; F1115-F1155 HydrophobicContact CD2-CE1 3.76Å; F1115-F1155 AromaticContact CD2-CZ 3.63Å; F1115-F1155 HydrophobicContact CD2-CZ 3.63Å; F1115-F1155 AromaticContact CE1-CE1 3.94Å; F1115-F1155 HydrophobicContact CE1-CE1 3.94Å; F1115-F1155 AromaticContact CE2-CE1 3.84Å; F1115-F1155 HydrophobicContact CE2-CE1 3.84Å; F1115-F1155 AromaticContact CE2-CZ 3.92Å; F1115-F1155 HydrophobicContact CE2-CZ 3.92Å; F1115-F1155 AromaticContact CG-CE1 3.77Å; F1115-F1155 HydrophobicContact CG-CE1 3.77Å; F1115-F1155 AromaticContact CG-CZ 3.94Å; F1115-F1155 HydrophobicContact CG-CZ 3.94Å; F1115-F1155 AromaticContact CZ-CE1 3.93Å; F1115-F1155 HydrophobicContact CZ-CE1 3.93Å; F1115-F1155 HydrophobicContact CZ-CZ 4.47Å; H1151-F1155 AromaticContact CE1-CE2 3.43Å; H1151-F1155 VanDerWaalsContact CE1-CE2 3.43Å; H1151-F1155 WeakPolarHBondContact CE1-CE2 3.38Å; H1151-F1155 AromaticContact NE2-CD2 3.91Å; H1151-F1155 AromaticContact NE2-CE2 3.42Å; H1151-F1155 WeakPolarHBondContact NE2-CE2 3.24Å; H1151-F1155 WeakPolarHBondContact O-CD2 3.3Å; H1151-F1155 PolarHBondContact O-N 2.88Å; H1151-F1155 VanDerWaalsContact O-N 3.1Å; L1152-F1155 PolarHBondContact O-N 2.85Å; K1153-F1155 VanDerWaalsContact C-N 3.3Å; K1153-F1155 PolarHBondContact O-N 3.02Å; F1155-G1159 PolarHBondContact O-N 3.49Å; F1155-F1160 HydrophobicContact CB-CB 4.46Å; F1155-F1160 HydrophobicContact CD1-CB 3.48Å; F1155-F1160 VanDerWaalsContact CD1-CB 3.48Å; F1155-F1160 HydrophobicContact CD1-CD2 4.28Å; F1155-F1160 HydrophobicContact CD1-CG 4.26Å; F1155-F1160 HydrophobicContact CE1-CB 4.01Å; F1155-F1160 HydrophobicContact CE1-CG 4.48Å; F1155-F1160 HydrophobicContact CG-CB 4.26Å; F1155-F1160 WeakPolarHBondContact O-CA 3.35Å; F1155-F1160 WeakPolarHBondContact O-CB 3.11Å; F1155-F1160 PolarHBondContact O-N 3.2Å; F1155-L1161 HydrophobicContact CB-CD2 4.07Å; F1155-L1161 HydrophobicContact CB-CG 4.06Å; F1155-L1161 HydrophobicContact CD1-CD2 4.44Å; F1155-L1161 PolarHBondContact O-N 2.04Å
1156	N	96.5	Very high	97.2	Very high	78 Å²	78	36.3 Å²	36.3	42%	0.417	19%	0.194	S	C	.	.	H	α-helix	trans	-72.4	-50.5	177.7	-171.9	54.9	0	0	0	112.1	L1152 K1153 F1154 K1158 G1159 L1161	L1152-N1156 PolarHBondContact O-N 3.26Å; K1153-N1156 PolarHBondContact O-N 2.86Å; K1153-N1156 VanDerWaalsContact O-N 3.08Å; F1154-N1156 VanDerWaalsContact C-N 3.31Å; F1154-N1156 PolarHBondContact O-N 2.82Å; N1156-K1158 PolarHBondContact O-N 3.17Å; N1156-G1159 WeakPolarHBondContact O-CA 3.35Å; N1156-G1159 PolarHBondContact O-N 2.82Å; N1156-L1161 HydrophobicContact CB-CD1 3.92Å
1157	E	97.1	Very high	97.3	Very high	150 Å²	150	34.7 Å²	34.7	70%	0.701	18%	0.176	S	C	*	.	H	α-helix	trans	-66.1	-38.6	-176.6	-71.1	170.6	-171.7	0	0	112.4	K1153 G1159	K1153-E1157 WeakPolarHBondContact O-CB 3.43Å; K1153-E1157 VanDerWaalsContact O-CG 3.32Å; K1153-E1157 WeakPolarHBondContact O-CG 3.32Å; K1153-E1157 PolarHBondContact O-N 2.82Å; E1157-G1159 PolarHBondContact O-N 2.88Å
1158	K	96.8	Very high	97.5	Very high	105 Å²	105	32.9 Å²	32.9	46%	0.457	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.3	172.2	-66.7	-73.2	-173.6	155.6	0	112.5	E1116 R1120 F1154 N1156 F1160	E1116-K1158 IonicContact OE1-NZ 2.8Å; E1116-K1158 PolarHBondContact OE1-NZ 2.89Å; R1120-K1158 PolarHBondContact NH2-O 2.7Å; F1154-K1158 HydrophobicContact CD2-CG 4.02Å; F1154-K1158 HydrophobicContact CE1-CG 4.33Å; F1154-K1158 HydrophobicContact CE2-CD 4.34Å; F1154-K1158 HydrophobicContact CE2-CG 3.81Å; F1154-K1158 HydrophobicContact CG-CG 4.39Å; F1154-K1158 HydrophobicContact CZ-CG 3.97Å; F1154-K1158 VanDerWaalsContact O-CB 3.24Å; F1154-K1158 WeakPolarHBondContact O-CB 3.41Å; F1154-K1158 VanDerWaalsContact O-CG 3.28Å; F1154-K1158 WeakPolarHBondContact O-CG 3.37Å; F1154-K1158 PolarHBondContact O-N 3.5Å; N1156-K1158 PolarHBondContact O-N 3.17Å; K1158-F1160 VanDerWaalsContact C-N 3.34Å; K1158-F1160 HydrophobicContact CB-CD2 3.47Å; K1158-F1160 VanDerWaalsContact CB-CD2 3.47Å; K1158-F1160 HydrophobicContact CB-CE2 3.4Å; K1158-F1160 HydrophobicContact CB-CG 4.26Å; K1158-F1160 HydrophobicContact CB-CZ 4.13Å; K1158-F1160 HydrophobicContact CG-CD2 4.28Å; K1158-F1160 HydrophobicContact CG-CE2 3.87Å
1159	G	96.4	Very high	97.5	Very high	14 Å²	14	32.7 Å²	32.7	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	23	-178.2	0	0	0	0	0	113.9	R1120 F1155 N1156 E1157 L1161	R1120-G1159 PolarHBondContact NH1-O 3.24Å; R1120-G1159 VanDerWaalsContact NH2-C 3.35Å; R1120-G1159 PolarHBondContact NH2-O 3.11Å; F1155-G1159 PolarHBondContact O-N 3.49Å; N1156-G1159 WeakPolarHBondContact O-CA 3.35Å; N1156-G1159 PolarHBondContact O-N 2.82Å; E1157-G1159 PolarHBondContact O-N 2.88Å; G1159-L1161 VanDerWaalsContact C-N 3.31Å
1160	F	97.4	Very high	97.4	Very high	11 Å²	11	32 Å²	32	5%	0.048	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-71.3	-25	174.5	-66.3	-54	0	0	0	112.4	F1115 E1116 R1120 F1154 F1155 K1158 N1162 T1164	F1115-F1160 HydrophobicContact CB-CD1 4.18Å; F1115-F1160 HydrophobicContact CB-CD2 4.31Å; F1115-F1160 HydrophobicContact CB-CE1 4.03Å; F1115-F1160 HydrophobicContact CB-CE2 4.15Å; F1115-F1160 HydrophobicContact CB-CG 4.35Å; F1115-F1160 HydrophobicContact CB-CZ 4.02Å; F1115-F1160 HydrophobicContact CD1-CB 4.33Å; F1115-F1160 AromaticContact CD1-CD1 3.99Å; F1115-F1160 HydrophobicContact CD1-CD1 3.99Å; F1115-F1160 HydrophobicContact CD1-CG 4.18Å; F1115-F1160 WeakPolarHBondContact O-CE1 3.47Å; E1116-F1160 HydrophobicContact CG-CE2 4.18Å; E1116-F1160 HydrophobicContact CG-CZ 3.92Å; R1120-F1160 VanDerWaalsContact NH1-CD1 3.31Å; F1154-F1160 HydrophobicContact CD1-CD2 4.47Å; F1154-F1160 AromaticContact CE1-CD2 3.94Å; F1154-F1160 HydrophobicContact CE1-CD2 3.94Å; F1154-F1160 AromaticContact CE1-CE2 3.63Å; F1154-F1160 HydrophobicContact CE1-CE2 3.63Å; F1154-F1160 AromaticContact CZ-CE2 3.91Å; F1154-F1160 HydrophobicContact CZ-CE2 3.91Å; F1155-F1160 HydrophobicContact CB-CB 4.46Å; F1155-F1160 HydrophobicContact CD1-CB 3.48Å; F1155-F1160 VanDerWaalsContact CD1-CB 3.48Å; F1155-F1160 HydrophobicContact CD1-CD2 4.28Å; F1155-F1160 HydrophobicContact CD1-CG 4.26Å; F1155-F1160 HydrophobicContact CE1-CB 4.01Å; F1155-F1160 HydrophobicContact CE1-CG 4.48Å; F1155-F1160 HydrophobicContact CG-CB 4.26Å; F1155-F1160 WeakPolarHBondContact O-CA 3.35Å; F1155-F1160 WeakPolarHBondContact O-CB 3.11Å; F1155-F1160 PolarHBondContact O-N 3.2Å; K1158-F1160 VanDerWaalsContact C-N 3.34Å; K1158-F1160 HydrophobicContact CB-CD2 3.47Å; K1158-F1160 VanDerWaalsContact CB-CD2 3.47Å; K1158-F1160 HydrophobicContact CB-CE2 3.4Å; K1158-F1160 HydrophobicContact CB-CG 4.26Å; K1158-F1160 HydrophobicContact CB-CZ 4.13Å; K1158-F1160 HydrophobicContact CG-CD2 4.28Å; K1158-F1160 HydrophobicContact CG-CE2 3.87Å; F1160-N1162 PolarHBondContact O-N 2.62Å; F1160-T1164 WeakPolarHBondContact O-CB 3.36Å; F1160-T1164 PolarHBondContact O-OG1 3.03Å
1161	L	97.1	Very high	97.2	Very high	10 Å²	10	28 Å²	28	5%	0.052	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-72.6	-11.4	175.4	-62	-177.4	0	0	0	114.1	L990 F1155 N1156 G1159 D1163 F1166	L990-L1161 HydrophobicContact CD1-CD1 4.1Å; L990-L1161 HydrophobicContact CD2-CD1 3.74Å; F1155-L1161 HydrophobicContact CB-CD2 4.07Å; F1155-L1161 HydrophobicContact CB-CG 4.06Å; F1155-L1161 HydrophobicContact CD1-CD2 4.44Å; F1155-L1161 PolarHBondContact O-N 2.04Å; N1156-L1161 HydrophobicContact CB-CD1 3.92Å; G1159-L1161 VanDerWaalsContact C-N 3.31Å; L1161-D1163 PolarHBondContact O-N 2.94Å; L1161-F1166 HydrophobicContact CD2-CB 4.23Å
1162	N	95.5	Very high	96.9	Very high	87 Å²	87	28.1 Å²	28.1	47%	0.465	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-71.4	-14.2	-179.6	-76.6	-25.3	0	0	0	114	F1160 W1201	F1160-N1162 PolarHBondContact O-N 2.62Å; N1162-W1201 PolarHBondContact O-NE1 2.87Å
1163	D	95.2	Very high	96.5	Very high	6 Å²	6	28 Å²	28	3%	0.032	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-138.6	18.3	-179.6	54.3	12.4	0	0	0	112.9	R958 N961 R1120 L1161	R958-D1163 IonicContact CZ-OD2 2.65Å; R958-D1163 IonicContact NH1-OD2 3.04Å; R958-D1163 VanDerWaalsContact NH2-CB 3.25Å; R958-D1163 IonicContact NH2-OD2 3.89Å; R958-D1163 PolarHBondContact NH2-OD2 2.82Å; N961-D1163 WeakPolarHBondContact CB-O 3.15Å; N961-D1163 PolarHBondContact N-O 3.32Å; N961-D1163 VanDerWaalsContact ND2-CG 3.33Å; N961-D1163 PolarHBondContact ND2-OD1 3.02Å; R1120-D1163 IonicContact NH1-OD1 2.65Å; R1120-D1163 IonicContact NH1-OD2 3.33Å; L1161-D1163 PolarHBondContact O-N 2.94Å
1164	T	97.9	Very high	95.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	-176.3	-56.5	0	0	0	0	111.9	N961 F1160 F1166 P1199	N961-T1164 HydrophobicContact CB-CG2 4.08Å; N961-T1164 WeakPolarHBondContact CB-OG1 3.43Å; N961-T1164 CarbonylContact O-C 3.6Å; N961-T1164 WeakPolarHBondContact O-CA 3.38Å; F1160-T1164 WeakPolarHBondContact O-CB 3.36Å; F1160-T1164 PolarHBondContact O-OG1 3.03Å; T1164-F1166 HydrophobicContact CG2-CB 4.4Å; T1164-P1199 WeakPolarHBondContact O-CD 3.26Å
1165	V	98.2	Very high	94.2	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.7	158.6	178.9	0	0	0	0	107.2	L960 N961 Y963 I1167 I1196 L1198 L1233	L960-V1165 HydrophobicContact CB-CG2 4.45Å; L960-V1165 HydrophobicContact CD1-CG2 3.85Å; N961-V1165 PolarHBondContact O-N 2.87Å; Y963-V1165 PolarHBondContact N-O 3.17Å; V1165-I1167 HydrophobicContact CG1-CG1 4.28Å; V1165-I1196 HydrophobicContact CG1-CG2 4.34Å; V1165-L1198 HydrophobicContact CG1-CD2 4.28Å; V1165-L1198 HydrophobicContact CG2-CD2 4.35Å; V1165-L1233 HydrophobicContact CB-CD1 4.4Å; V1165-L1233 HydrophobicContact CG2-CD1 4.1Å; V1165-L1233 HydrophobicContact CG2-CD2 4.3Å
1166	F	98.6	Very high	92.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.5	-178.1	-179.8	-80.3	0	0	0	110.1	Y963 L965 L1152 L1161 T1164 A1168 I1197	Y963-F1166 AromaticContact CD1-CD2 3.42Å; Y963-F1166 HydrophobicContact CD1-CD2 3.42Å; Y963-F1166 VanDerWaalsContact CD1-CD2 3.42Å; Y963-F1166 AromaticContact CD1-CE2 3.36Å; Y963-F1166 HydrophobicContact CD1-CE2 3.36Å; Y963-F1166 HydrophobicContact CE1-CD2 4.02Å; Y963-F1166 AromaticContact CE1-CE2 3.45Å; Y963-F1166 HydrophobicContact CE1-CE2 3.45Å; Y963-F1166 VanDerWaalsContact CE1-CE2 3.45Å; Y963-F1166 AromaticContact CG-CD2 3.94Å; Y963-F1166 HydrophobicContact CG-CD2 3.94Å; Y963-F1166 HydrophobicContact CG-CE2 4.07Å; Y963-F1166 CarbonylContact O-C 3.51Å; Y963-F1166 WeakPolarHBondContact O-CA 3.47Å; L965-F1166 HydrophobicContact CB-CE2 4.37Å; L965-F1166 HydrophobicContact CB-CZ 3.89Å; L965-F1166 HydrophobicContact CD2-CZ 3.91Å; L1152-F1166 HydrophobicContact CD2-CD1 4.49Å; L1152-F1166 HydrophobicContact CD2-CE1 3.7Å; L1152-F1166 HydrophobicContact CD2-CE2 3.97Å; L1152-F1166 HydrophobicContact CD2-CZ 3.42Å; L1152-F1166 VanDerWaalsContact CD2-CZ 3.42Å; L1161-F1166 HydrophobicContact CD2-CB 4.23Å; T1164-F1166 HydrophobicContact CG2-CB 4.4Å; F1166-A1168 HydrophobicContact CE1-CB 3.94Å; F1166-I1197 HydrophobicContact CB-CB 4.17Å; F1166-I1197 HydrophobicContact CD1-CB 4.42Å; F1166-I1197 HydrophobicContact CD1-CD1 3.63Å; F1166-I1197 HydrophobicContact CD1-CG1 4.2Å; F1166-I1197 HydrophobicContact CE1-CD1 4.14Å; F1166-I1197 PolarHBondContact N-O 3.01Å; F1166-I1197 PolarHBondContact O-N 2.95Å
1167	I	98.6	Very high	91.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	107.5	-178	-53.4	178.6	0	0	0	108.5	Y963 M964 L965 V1165 F1169 V1194 S1195 I1196 L1230	Y963-I1167 PolarHBondContact O-N 3.36Å; M964-I1167 CarbonylContact C-O 3.59Å; M964-I1167 WeakPolarHBondContact CA-O 3.43Å; M964-I1167 HydrophobicContact CE-CD1 4.26Å; M964-I1167 HydrophobicContact CE-CG2 4.38Å; M964-I1167 HydrophobicContact CG-CB 4.31Å; M964-I1167 HydrophobicContact CG-CD1 4.35Å; L965-I1167 PolarHBondContact N-O 3.44Å; V1165-I1167 HydrophobicContact CG1-CG1 4.28Å; I1167-F1169 HydrophobicContact CG2-CB 4.29Å; I1167-V1194 HydrophobicContact CG2-CG1 4.48Å; I1167-S1195 WeakPolarHBondContact CA-O 3.46Å; I1167-I1196 HydrophobicContact CG1-CG1 4.46Å; I1167-L1230 HydrophobicContact CD1-CD2 4.21Å
1168	A	98.2	Very high	89.8	Confident	3 Å²	3	22.3 Å²	22.3	3%	0.025	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.6	167.2	0	0	0	0	0	108.7	L965 I986 F1166 F1193 V1194 S1195	L965-A1168 CarbonylContact O-C 3.54Å; L965-A1168 WeakPolarHBondContact O-CA 3.37Å; I986-A1168 HydrophobicContact CD1-CB 3.93Å; F1166-A1168 HydrophobicContact CE1-CB 3.94Å; A1168-F1193 HydrophobicContact CB-CE1 4.04Å; A1168-V1194 CarbonylContact O-C 3.59Å; A1168-V1194 WeakPolarHBondContact O-CA 3.29Å; A1168-S1195 PolarHBondContact N-O 2.79Å; A1168-S1195 PolarHBondContact O-N 3.03Å
1169	F	97.9	Very high	88.6	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	174.9	-175.1	79.9	-73	0	0	0	113.9	M964 L965 G966 F967 L1009 I1012 F1127 F1129 I1167 F1193 V1194	M964-F1169 HydrophobicContact CB-CD1 4.34Å; M964-F1169 HydrophobicContact CB-CE1 3.86Å; M964-F1169 HydrophobicContact CE-CD1 4.34Å; M964-F1169 HydrophobicContact CE-CE1 4.17Å; L965-F1169 WeakPolarHBondContact O-CD1 3.43Å; L965-F1169 PolarHBondContact O-N 3.22Å; G966-F1169 VanDerWaalsContact CA-CE1 3.43Å; G966-F1169 VanDerWaalsContact CA-O 3.28Å; G966-F1169 WeakPolarHBondContact CA-O 3.48Å; F967-F1169 PolarHBondContact N-O 2.81Å; L1009-F1169 HydrophobicContact CD2-CE2 3.74Å; L1009-F1169 HydrophobicContact CD2-CZ 4.09Å; I1012-F1169 HydrophobicContact CD1-CD2 4.29Å; I1012-F1169 HydrophobicContact CD1-CE2 4.11Å; F1127-F1169 HydrophobicContact CE2-CE1 4.15Å; F1127-F1169 AromaticContact CE2-CZ 3.61Å; F1127-F1169 HydrophobicContact CE2-CZ 3.61Å; F1127-F1169 AromaticContact CZ-CZ 3.73Å; F1127-F1169 HydrophobicContact CZ-CZ 3.73Å; F1129-F1169 HydrophobicContact CD2-CE2 4.4Å; F1129-F1169 AromaticContact CD2-CZ 3.92Å; F1129-F1169 HydrophobicContact CD2-CZ 3.92Å; F1129-F1169 HydrophobicContact CE2-CE2 4.03Å; F1129-F1169 HydrophobicContact CE2-CZ 4.03Å; I1167-F1169 HydrophobicContact CG2-CB 4.29Å; F1169-F1193 CarbonylContact C-O 3.6Å; F1169-F1193 VanDerWaalsContact C-O 3.31Å; F1169-F1193 WeakPolarHBondContact CA-O 3.3Å; F1169-V1194 HydrophobicContact CB-CG1 4.28Å; F1169-V1194 HydrophobicContact CB-CG2 4.16Å
1170	S	96.9	Very high	87.6	Confident	1 Å²	1	17 Å²	17	1%	0.007	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.3	169.2	-50.6	0	0	0	0	108.4	F967 V970 P1192 F1193	F967-S1170 WeakPolarHBondContact O-CA 3.38Å; F967-S1170 WeakPolarHBondContact O-CB 3.48Å; V970-S1170 WeakPolarHBondContact O-CB 3.45Å; V970-S1170 PolarHBondContact O-OG 2.94Å; S1170-P1192 WeakPolarHBondContact O-CB 3.41Å; S1170-F1193 PolarHBondContact N-O 3.31Å
1171	D	93.6	Very high	86.2	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.011	12%	0.119	C	C	.	.	S	Bend	trans	-75.7	-46.6	-177.3	57.7	-15	0	0	0	112.6	D968 I1000 T1005 A1008 F1129	D968-D1171 WeakPolarHBondContact CA-OD1 3.39Å; I1000-D1171 WeakPolarHBondContact CG2-O 3.4Å; T1005-D1171 WeakPolarHBondContact CA-OD2 3.44Å; T1005-D1171 VanDerWaalsContact CB-OD2 3.31Å; T1005-D1171 WeakPolarHBondContact CB-OD2 3.38Å; T1005-D1171 HydrophobicContact CG2-CB 4.36Å; T1005-D1171 WeakPolarHBondContact CG2-OD2 3.45Å; T1005-D1171 PolarHBondContact OG1-OD2 3.21Å; A1008-D1171 HydrophobicContact CB-CB 3.67Å; A1008-D1171 WeakPolarHBondContact CB-O 3.24Å; F1129-D1171 HydrophobicContact CE2-CB 4.32Å; F1129-D1171 HydrophobicContact CZ-CB 3.88Å
1172	H	91.6	Very high	85.1	Confident	4 Å²	4	24.4 Å²	24.4	2%	0.019	12%	0.12	C	C	.	.			trans	-155.8	176.3	175.1	47.8	70.2	0	0	0	110.1	D968 S969 V970 I1000 G1004 T1005 R1175	D968-H1172 IonicContact OD1-CE1 3.79Å; D968-H1172 PolarHBondContact OD1-CE1 2.65Å; S969-H1172 CarbonylContact C-O 3.57Å; S969-H1172 WeakPolarHBondContact CA-O 3.24Å; S969-H1172 WeakPolarHBondContact CB-CE1 3.13Å; S969-H1172 WeakPolarHBondContact CB-ND1 3.31Å; S969-H1172 WeakPolarHBondContact CB-O 3.1Å; S969-H1172 PolarHBondContact OG-CE1 3.45Å; S969-H1172 PolarHBondContact OG-ND1 3.23Å; V970-H1172 CarbonylContact C-O 3.6Å; V970-H1172 PolarHBondContact N-O 3.14Å; I1000-H1172 HydrophobicContact CG2-CB 4.07Å; G1004-H1172 VanDerWaalsContact CA-CD2 3.46Å; G1004-H1172 WeakPolarHBondContact CA-CD2 3.41Å; G1004-H1172 VanDerWaalsContact CA-NE2 3.29Å; G1004-H1172 WeakPolarHBondContact CA-NE2 3.38Å; T1005-H1172 PolarHBondContact N-NE2 2.86Å; H1172-R1175 WeakPolarHBondContact CE1-CD 3.5Å; H1172-R1175 WeakPolarHBondContact NE2-CD 3.47Å
1173	G	89.8	Confident	83.9	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-84.4	-168.7	163	0	0	0	0	0	111.8	S969 R1175 E1189	S969-G1173 WeakPolarHBondContact CB-O 3.13Å; G1173-R1175 PolarHBondContact O-N 3.09Å; G1173-E1189 PolarHBondContact N-O 3.13Å
1174	A	81.3	Confident	83.1	Confident	15 Å²	15	23.2 Å²	23.2	12%	0.124	11%	0.11	C	C	.	.			trans	-68	130.2	-174.8	0	0	0	0	0	113	S1177 V1179 R1180	A1174-S1177 WeakPolarHBondContact CB-OG 3.18Å; A1174-V1179 HydrophobicContact CB-CG1 3.74Å; A1174-R1180 WeakPolarHBondContact O-CB 3.31Å; A1174-R1180 WeakPolarHBondContact O-CD 3.25Å; A1174-R1180 WeakPolarHBondContact O-CG 3.38Å
1175	R	66.7	Low	82.3	Confident	55 Å²	55	23.2 Å²	23.2	21%	0.208	11%	0.111	C	C	.	.	S	Bend	trans	-94.3	-26.6	-175.5	-71.3	173.1	63.5	-154.6	2.9	115.8	D1003 G1004 H1172 G1173 R1180	D1003-R1175 IonicContact OD1-CZ 3.11Å; D1003-R1175 IonicContact OD1-NE 3.7Å; D1003-R1175 PolarHBondContact OD1-NE 2.7Å; D1003-R1175 IonicContact OD1-NH2 2.7Å; D1003-R1175 PolarHBondContact OD1-NH2 3.17Å; D1003-R1175 IonicContact OD2-CZ 3.42Å; D1003-R1175 IonicContact OD2-NE 3.27Å; D1003-R1175 IonicContact OD2-NH2 2.79Å; D1003-R1175 PolarHBondContact OD2-NH2 3.2Å; G1004-R1175 VanDerWaalsContact CA-CZ 3.42Å; G1004-R1175 VanDerWaalsContact CA-NH1 3.28Å; H1172-R1175 WeakPolarHBondContact CE1-CD 3.5Å; H1172-R1175 WeakPolarHBondContact NE2-CD 3.47Å; G1173-R1175 PolarHBondContact O-N 3.09Å; R1175-R1180 WeakPolarHBondContact O-CG 3.45Å
1176	F	63.7	Low	81.5	Confident	70 Å²	70	23.8 Å²	23.8	31%	0.307	11%	0.113	S	C	.	.	S	Bend	trans	-144.9	3.4	-176.4	45.2	-98.7	0	0	0	114.5	H1135	H1135-F1176 AromaticContact CE1-CZ 3.69Å
1177	S	66.8	Low	80.9	Confident	22 Å²	22	26 Å²	26	15%	0.154	12%	0.124	C	C	.	.	S	Bend	trans	-70.7	171	176.1	74	0	0	0	0	111.8	A1174 V1179 R1180	A1174-S1177 WeakPolarHBondContact CB-OG 3.18Å; S1177-V1179 PolarHBondContact O-N 3.11Å; S1177-V1179 WeakPolarHBondContact OG-CG1 3.4Å; S1177-V1179 PolarHBondContact OG-N 3.43Å; S1177-R1180 WeakPolarHBondContact O-CB 3.28Å; S1177-R1180 PolarHBondContact O-N 3.49Å; S1177-R1180 VanDerWaalsContact O-N 3.15Å
1178	S	67.7	Low	80.5	Confident	56 Å²	56	26 Å²	26	39%	0.392	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-35.1	175.4	51	0	0	0	0	112.3	R1180 R1181	S1178-R1180 PolarHBondContact O-N 3.38Å; S1178-R1181 WeakPolarHBondContact O-CB 3.08Å; S1178-R1181 PolarHBondContact O-N 3.39Å
1179	V	71.7	Confident	79.9	Confident	4 Å²	4	26 Å²	26	2%	0.024	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-66.8	-35.6	-179.6	74.8	0	0	0	0	112	V848 L851 F1138 A1174 S1177 R1181 T1182 G1185	V848-V1179 HydrophobicContact CB-CG2 4.14Å; V848-V1179 HydrophobicContact CG1-CG2 3.77Å; V848-V1179 HydrophobicContact CG2-CG2 3.69Å; L851-V1179 HydrophobicContact CD1-CB 4.09Å; L851-V1179 HydrophobicContact CD1-CG2 4.49Å; F1138-V1179 HydrophobicContact CD1-CG1 4.29Å; F1138-V1179 HydrophobicContact CE1-CB 4.37Å; F1138-V1179 HydrophobicContact CE1-CG1 4.42Å; A1174-V1179 HydrophobicContact CB-CG1 3.74Å; S1177-V1179 PolarHBondContact O-N 3.11Å; S1177-V1179 WeakPolarHBondContact OG-CG1 3.4Å; S1177-V1179 PolarHBondContact OG-N 3.43Å; V1179-R1181 PolarHBondContact O-N 3.35Å; V1179-T1182 WeakPolarHBondContact O-CB 3.04Å; V1179-T1182 WeakPolarHBondContact O-CG2 3.43Å; V1179-T1182 PolarHBondContact O-N 3.24Å; V1179-T1182 PolarHBondContact O-OG1 3.47Å; V1179-G1185 WeakPolarHBondContact O-CA 3.41Å
1180	R	76	Confident	79.6	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.015	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.4	-20	178.3	179.8	52.2	177.9	88.2	-12.8	114.1	A1174 R1175 S1177 S1178 T1182 E1189 E1369	A1174-R1180 WeakPolarHBondContact O-CB 3.31Å; A1174-R1180 WeakPolarHBondContact O-CD 3.25Å; A1174-R1180 WeakPolarHBondContact O-CG 3.38Å; R1175-R1180 WeakPolarHBondContact O-CG 3.45Å; S1177-R1180 WeakPolarHBondContact O-CB 3.28Å; S1177-R1180 PolarHBondContact O-N 3.49Å; S1177-R1180 VanDerWaalsContact O-N 3.15Å; S1178-R1180 PolarHBondContact O-N 3.38Å; R1180-T1182 VanDerWaalsContact C-N 3.33Å; R1180-E1189 IonicContact CZ-OE1 3.82Å; R1180-E1189 IonicContact CZ-OE2 3.37Å; R1180-E1189 IonicContact NE-OE1 3.52Å; R1180-E1189 PolarHBondContact NE-OE1 3.42Å; R1180-E1189 IonicContact NE-OE2 3.16Å; R1180-E1189 PolarHBondContact NE-OE2 3.28Å; R1180-E1189 IonicContact NH2-OE1 2.69Å; R1180-E1189 IonicContact NH2-OE2 2.77Å; R1180-E1189 PolarHBondContact NH2-OE2 2.99Å; R1180-E1369 IonicContact CZ-OE1 2.83Å; R1180-E1369 IonicContact NH1-OE1 2.6Å; R1180-E1369 IonicContact NH1-OE2 3.18Å; R1180-E1369 IonicContact NH2-OE1 3.5Å; R1180-E1369 PolarHBondContact NH2-OE1 3.16Å; R1180-E1369 IonicContact NH2-OE2 3.7Å
1181	R	68.4	Low	79.4	Confident	164 Å²	164	26.5 Å²	26.5	62%	0.619	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-79.7	-16.8	178.4	-57.4	-178.3	-174.2	168.7	4.1	112.7	S1178 V1179	S1178-R1181 WeakPolarHBondContact O-CB 3.08Å; S1178-R1181 PolarHBondContact O-N 3.39Å; V1179-R1181 PolarHBondContact O-N 3.35Å
1182	T	72.7	Confident	79.5	Confident	11 Å²	11	26.5 Å²	26.5	7%	0.067	13%	0.127	C	C	.	.	S	Bend	trans	-78.8	157.1	177	74.3	0	0	0	0	110.6	E847 L851 V1179 R1180 Q1184 G1185 K1186	E847-T1182 HydrophobicContact CB-CG2 3.77Å; E847-T1182 HydrophobicContact CG-CG2 4.21Å; E847-T1182 VanDerWaalsContact OE2-CA 3.29Å; E847-T1182 WeakPolarHBondContact OE2-CA 2.88Å; E847-T1182 WeakPolarHBondContact OE2-CB 3.34Å; L851-T1182 HydrophobicContact CD1-CG2 4.05Å; V1179-T1182 WeakPolarHBondContact O-CB 3.04Å; V1179-T1182 WeakPolarHBondContact O-CG2 3.43Å; V1179-T1182 PolarHBondContact O-N 3.24Å; V1179-T1182 PolarHBondContact O-OG1 3.47Å; R1180-T1182 VanDerWaalsContact C-N 3.33Å; T1182-Q1184 PolarHBondContact O-N 3.43Å; T1182-G1185 PolarHBondContact O-N 3.49Å; T1182-G1185 WeakPolarHBondContact OG1-CA 3.45Å; T1182-G1185 PolarHBondContact OG1-N 3.03Å; T1182-K1186 VanDerWaalsContact O-CG 3.31Å; T1182-K1186 WeakPolarHBondContact O-CG 3.45Å; T1182-K1186 PolarHBondContact O-N 3.32Å
1183	K	71.3	Confident	79.8	Confident	57 Å²	57	26.3 Å²	26.3	25%	0.248	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-48.2	177.6	175.5	112.3	151.8	-77.5	0	111.3	K643 D645 E847 G1185 K1186	K643-K1183 VanDerWaalsContact CD-NZ 3.25Å; D645-K1183 HydrophobicContact CB-CB 4.18Å; D645-K1183 VanDerWaalsContact CG-CB 3.44Å; D645-K1183 WeakPolarHBondContact OD1-CB 3.41Å; D645-K1183 WeakPolarHBondContact OD1-CD 3.4Å; D645-K1183 WeakPolarHBondContact OD1-CG 3.27Å; D645-K1183 IonicContact OD1-NZ 3.09Å; D645-K1183 PolarHBondContact OD1-NZ 3.1Å; D645-K1183 VanDerWaalsContact OD2-CG 3.29Å; D645-K1183 WeakPolarHBondContact OD2-CG 3.26Å; D645-K1183 IonicContact OD2-NZ 2.71Å; D645-K1183 PolarHBondContact OD2-NZ 2.94Å; E847-K1183 PolarHBondContact OE2-N 3.13Å; E847-K1183 VanDerWaalsContact OE2-N 3.11Å; K1183-G1185 VanDerWaalsContact C-N 3.32Å; K1183-K1186 PolarHBondContact O-N 3.47Å
1184	Q	78.5	Confident	80.2	Confident	11 Å²	11	26.3 Å²	26.3	5%	0.051	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-36.2	179.3	179.9	164.4	-68.6	0	0	111.5	N842 D845 V848 T1182 K1186 L1187 E1188	N842-Q1184 PolarHBondContact O-NE2 3Å; N842-Q1184 PolarHBondContact O-OE1 3.5Å; D845-Q1184 HydrophobicContact CB-CB 4.45Å; D845-Q1184 VanDerWaalsContact CB-CD 3.43Å; D845-Q1184 HydrophobicContact CB-CG 4.47Å; D845-Q1184 VanDerWaalsContact CB-NE2 3.27Å; D845-Q1184 WeakPolarHBondContact OD2-CB 3.42Å; D845-Q1184 PolarHBondContact OD2-OE1 3.35Å; V848-Q1184 HydrophobicContact CG2-CB 4.15Å; V848-Q1184 HydrophobicContact CG2-CG 4.34Å; T1182-Q1184 PolarHBondContact O-N 3.43Å; Q1184-K1186 PolarHBondContact O-N 2.98Å; Q1184-L1187 WeakPolarHBondContact O-CA 3.32Å; Q1184-L1187 PolarHBondContact O-N 3.38Å; Q1184-E1188 HydrophobicContact CG-CG 3.94Å; Q1184-E1188 PolarHBondContact NE2-OE1 2.83Å; Q1184-E1188 PolarHBondContact O-N 2.68Å
1185	G	80.7	Confident	81	Confident	2 Å²	2	25.6 Å²	25.6	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-55.8	-35.8	175.7	0	0	0	0	0	113.9	V1179 T1182 K1183 L1187 E1188 E1189	V1179-G1185 WeakPolarHBondContact O-CA 3.41Å; T1182-G1185 PolarHBondContact O-N 3.49Å; T1182-G1185 WeakPolarHBondContact OG1-CA 3.45Å; T1182-G1185 PolarHBondContact OG1-N 3.03Å; K1183-G1185 VanDerWaalsContact C-N 3.32Å; G1185-L1187 VanDerWaalsContact C-N 3.32Å; G1185-L1187 PolarHBondContact O-N 3.15Å; G1185-E1188 PolarHBondContact O-N 3.06Å; G1185-E1189 PolarHBondContact O-N 3.12Å
1186	K	81.5	Confident	82.5	Confident	14 Å²	14	23.1 Å²	23.1	6%	0.061	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-33.6	174.2	-46.9	-159.2	174.7	-166.8	0	113	T1182 K1183 Q1184 R1190 E1318 E1369	T1182-K1186 VanDerWaalsContact O-CG 3.31Å; T1182-K1186 WeakPolarHBondContact O-CG 3.45Å; T1182-K1186 PolarHBondContact O-N 3.32Å; K1183-K1186 PolarHBondContact O-N 3.47Å; Q1184-K1186 PolarHBondContact O-N 2.98Å; K1186-R1190 PolarHBondContact O-NH1 2.79Å; K1186-E1318 IonicContact NZ-OE2 2.78Å; K1186-E1318 PolarHBondContact NZ-OE2 3.07Å; K1186-E1369 WeakPolarHBondContact CD-OE2 3.29Å; K1186-E1369 IonicContact NZ-OE2 2.9Å; K1186-E1369 PolarHBondContact NZ-OE2 3.03Å
1187	L	85	Confident	84.1	Confident	46 Å²	46	20 Å²	20	24%	0.241	10%	0.097	C	C	.	.	H	α-helix	trans	-79.2	-40.4	174.7	-69.6	170.6	0	0	0	110.8	P839 Q841 Q1184 G1185 E1189 R1190 N1191	P839-L1187 HydrophobicContact CB-CD1 4.23Å; P839-L1187 HydrophobicContact CB-CD2 4.29Å; Q841-L1187 HydrophobicContact CG-CB 4.4Å; Q1184-L1187 WeakPolarHBondContact O-CA 3.32Å; Q1184-L1187 PolarHBondContact O-N 3.38Å; G1185-L1187 VanDerWaalsContact C-N 3.32Å; G1185-L1187 PolarHBondContact O-N 3.15Å; L1187-E1189 VanDerWaalsContact C-N 3.29Å; L1187-E1189 PolarHBondContact O-N 3.05Å; L1187-R1190 PolarHBondContact O-N 3.08Å; L1187-N1191 PolarHBondContact O-N 3.44Å; L1187-N1191 VanDerWaalsContact O-N 3.11Å; L1187-N1191 PolarHBondContact O-OD1 3.2Å
1188	E	90	Very high	85.6	Confident	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-34.2	177.1	-77.7	-163.9	-153.6	0	0	113.2	S971 M973 T974 R977 Q1184 G1185 R1190 N1191	S971-E1188 WeakPolarHBondContact CB-O 3.39Å; S971-E1188 PolarHBondContact OG-OE2 3.12Å; M973-E1188 HydrophobicContact CB-CG 4.14Å; M973-E1188 WeakPolarHBondContact CB-OE1 3.48Å; M973-E1188 HydrophobicContact CG-CG 4.29Å; T974-E1188 PolarHBondContact OG1-OE2 3.34Å; R977-E1188 IonicContact CZ-OE1 3.76Å; R977-E1188 IonicContact CZ-OE2 3.01Å; R977-E1188 IonicContact NH1-OE1 3.21Å; R977-E1188 PolarHBondContact NH1-OE1 2.65Å; R977-E1188 IonicContact NH1-OE2 3.09Å; R977-E1188 VanDerWaalsContact NH2-CD 3.29Å; R977-E1188 IonicContact NH2-OE1 3.94Å; R977-E1188 PolarHBondContact NH2-OE1 3.39Å; R977-E1188 VanDerWaalsContact NH2-OE1 3.1Å; R977-E1188 IonicContact NH2-OE2 3.95Å; R977-E1188 PolarHBondContact NH2-OE2 2.89Å; Q1184-E1188 HydrophobicContact CG-CG 3.94Å; Q1184-E1188 PolarHBondContact NE2-OE1 2.83Å; Q1184-E1188 PolarHBondContact O-N 2.68Å; G1185-E1188 PolarHBondContact O-N 3.06Å; E1188-R1190 VanDerWaalsContact C-N 3.26Å; E1188-R1190 PolarHBondContact O-N 3.36Å; E1188-N1191 PolarHBondContact O-N 3.31Å
1189	E	87.1	Confident	87	Confident	3 Å²	3	18 Å²	18	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-53.2	-45.2	168.1	175.7	-170.2	-123.5	0	0	111.8	I1000 G1173 R1180 G1185 L1187	I1000-E1189 HydrophobicContact CD1-CG 4.45Å; G1173-E1189 PolarHBondContact N-O 3.13Å; R1180-E1189 IonicContact CZ-OE1 3.82Å; R1180-E1189 IonicContact CZ-OE2 3.37Å; R1180-E1189 IonicContact NE-OE1 3.52Å; R1180-E1189 PolarHBondContact NE-OE1 3.42Å; R1180-E1189 IonicContact NE-OE2 3.16Å; R1180-E1189 PolarHBondContact NE-OE2 3.28Å; R1180-E1189 IonicContact NH2-OE1 2.69Å; R1180-E1189 IonicContact NH2-OE2 2.77Å; R1180-E1189 PolarHBondContact NH2-OE2 2.99Å; G1185-E1189 PolarHBondContact O-N 3.12Å; L1187-E1189 VanDerWaalsContact C-N 3.29Å; L1187-E1189 PolarHBondContact O-N 3.05Å
1190	R	90.5	Very high	88.1	Confident	5 Å²	5	21.6 Å²	21.6	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-83.1	-14.2	-172.9	-62.3	174.5	172.7	84.3	2.1	113.7	N999 I1000 K1186 L1187 E1188 P1192 H1269 S1272 E1369	N999-R1190 WeakPolarHBondContact CA-O 3.41Å; I1000-R1190 HydrophobicContact CD1-CB 4.31Å; I1000-R1190 HydrophobicContact CD1-CG 4.1Å; I1000-R1190 HydrophobicContact CG1-CB 4.2Å; I1000-R1190 HydrophobicContact CG1-CG 4.32Å; I1000-R1190 PolarHBondContact N-O 2.77Å; I1000-R1190 VanDerWaalsContact N-O 3.13Å; K1186-R1190 PolarHBondContact O-NH1 2.79Å; L1187-R1190 PolarHBondContact O-N 3.08Å; E1188-R1190 VanDerWaalsContact C-N 3.26Å; E1188-R1190 PolarHBondContact O-N 3.36Å; R1190-P1192 VanDerWaalsContact C-CD 3.49Å; R1190-P1192 WeakPolarHBondContact O-CD 3.28Å; R1190-H1269 PolarHBondContact NE-O 2.77Å; R1190-H1269 VanDerWaalsContact NE-O 3.1Å; R1190-H1269 PolarHBondContact NH2-O 3.16Å; R1190-S1272 WeakPolarHBondContact CB-OG 3.49Å; R1190-E1369 IonicContact NH2-OE1 2.73Å; R1190-E1369 PolarHBondContact NH2-OE1 2.98Å
1191	N	92.7	Very high	89	Confident	8 Å²	8	24.8 Å²	24.8	4%	0.043	12%	0.115	C	C	.	.			trans	-121.3	76.2	-175.9	-56.6	137	0	0	0	111.3	R972 Y998 L1187 E1188 S1272	R972-N1191 PolarHBondContact N-O 2.95Å; Y998-N1191 PolarHBondContact O-ND2 3.41Å; Y998-N1191 VanDerWaalsContact O-ND2 3.12Å; L1187-N1191 PolarHBondContact O-N 3.44Å; L1187-N1191 VanDerWaalsContact O-N 3.11Å; L1187-N1191 PolarHBondContact O-OD1 3.2Å; E1188-N1191 PolarHBondContact O-N 3.31Å; N1191-S1272 PolarHBondContact ND2-OG 2.96Å
1192	P	96	Very high	90.3	Very high	2 Å²	2	17 Å²	17	1%	0.013	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-68.3	164.4	174.9	28.3	-32.9	0	0	0	112.3	Y998 I1000 S1170 R1190	Y998-P1192 HydrophobicContact CD1-CG 3.72Å; Y998-P1192 HydrophobicContact CE1-CG 3.89Å; I1000-P1192 HydrophobicContact CG2-CG 3.89Å; S1170-P1192 WeakPolarHBondContact O-CB 3.41Å; R1190-P1192 VanDerWaalsContact C-CD 3.49Å; R1190-P1192 WeakPolarHBondContact O-CD 3.28Å
1193	F	97.2	Very high	91.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.			trans	-74.5	132.5	173.1	-176.7	-103.2	0	0	0	110.5	V970 R972 F975 Y983 I986 V994 A1168 F1169 S1170	V970-F1193 PolarHBondContact O-N 3.25Å; R972-F1193 HydrophobicContact CG-CD2 4.31Å; F975-F1193 HydrophobicContact CB-CB 3.66Å; F975-F1193 HydrophobicContact CB-CD1 4.49Å; F975-F1193 HydrophobicContact CB-CD2 3.97Å; F975-F1193 HydrophobicContact CB-CG 3.78Å; F975-F1193 AromaticContact CD1-CD1 3.85Å; F975-F1193 HydrophobicContact CD1-CD1 3.85Å; F975-F1193 AromaticContact CD1-CD2 3.79Å; F975-F1193 HydrophobicContact CD1-CD2 3.79Å; F975-F1193 AromaticContact CD1-CE1 3.9Å; F975-F1193 HydrophobicContact CD1-CE1 3.9Å; F975-F1193 AromaticContact CD1-CE2 3.87Å; F975-F1193 HydrophobicContact CD1-CE2 3.87Å; F975-F1193 AromaticContact CD1-CG 3.79Å; F975-F1193 HydrophobicContact CD1-CG 3.79Å; F975-F1193 AromaticContact CD1-CZ 3.9Å; F975-F1193 HydrophobicContact CD1-CZ 3.9Å; F975-F1193 HydrophobicContact CD2-CB 3.74Å; F975-F1193 AromaticContact CD2-CD1 3.47Å; F975-F1193 HydrophobicContact CD2-CD1 3.47Å; F975-F1193 VanDerWaalsContact CD2-CD1 3.47Å; F975-F1193 HydrophobicContact CD2-CD2 4.41Å; F975-F1193 HydrophobicContact CD2-CE1 4.18Å; F975-F1193 AromaticContact CD2-CG 3.61Å; F975-F1193 HydrophobicContact CD2-CG 3.61Å; F975-F1193 AromaticContact CE1-CD1 3.86Å; F975-F1193 HydrophobicContact CE1-CD1 3.86Å; F975-F1193 HydrophobicContact CE1-CD2 4.41Å; F975-F1193 AromaticContact CE1-CE1 3.55Å; F975-F1193 HydrophobicContact CE1-CE1 3.55Å; F975-F1193 HydrophobicContact CE1-CE2 4.17Å; F975-F1193 HydrophobicContact CE1-CG 4.27Å; F975-F1193 AromaticContact CE1-CZ 3.72Å; F975-F1193 HydrophobicContact CE1-CZ 3.72Å; F975-F1193 AromaticContact CE2-CD1 3.47Å; F975-F1193 HydrophobicContact CE2-CD1 3.47Å; F975-F1193 VanDerWaalsContact CE2-CD1 3.47Å; F975-F1193 AromaticContact CE2-CE1 3.84Å; F975-F1193 HydrophobicContact CE2-CE1 3.84Å; F975-F1193 HydrophobicContact CE2-CG 4.11Å; F975-F1193 HydrophobicContact CG-CB 3.74Å; F975-F1193 AromaticContact CG-CD1 3.67Å; F975-F1193 HydrophobicContact CG-CD1 3.67Å; F975-F1193 AromaticContact CG-CD2 3.8Å; F975-F1193 HydrophobicContact CG-CD2 3.8Å; F975-F1193 HydrophobicContact CG-CE1 4.2Å; F975-F1193 HydrophobicContact CG-CE2 4.34Å; F975-F1193 AromaticContact CG-CG 3.43Å; F975-F1193 HydrophobicContact CG-CG 3.43Å; F975-F1193 VanDerWaalsContact CG-CG 3.43Å; F975-F1193 AromaticContact CZ-CD1 3.68Å; F975-F1193 HydrophobicContact CZ-CD1 3.68Å; F975-F1193 AromaticContact CZ-CE1 3.52Å; F975-F1193 HydrophobicContact CZ-CE1 3.52Å; F975-F1193 HydrophobicContact CZ-CG 4.42Å; F975-F1193 HydrophobicContact CZ-CZ 4.18Å; Y983-F1193 AromaticContact CD2-CE2 3.61Å; Y983-F1193 HydrophobicContact CD2-CE2 3.61Å; Y983-F1193 HydrophobicContact CD2-CZ 4.05Å; Y983-F1193 AromaticContact CE2-CE2 3.73Å; Y983-F1193 HydrophobicContact CE2-CE2 3.73Å; Y983-F1193 HydrophobicContact CE2-CZ 4.43Å; I986-F1193 HydrophobicContact CD1-CE1 4.27Å; I986-F1193 HydrophobicContact CD1-CZ 4.41Å; V994-F1193 HydrophobicContact CG1-CE2 4.08Å; V994-F1193 HydrophobicContact CG2-CE2 4.21Å; V994-F1193 HydrophobicContact CG2-CZ 4.47Å; A1168-F1193 HydrophobicContact CB-CE1 4.04Å; F1169-F1193 CarbonylContact C-O 3.6Å; F1169-F1193 VanDerWaalsContact C-O 3.31Å; F1169-F1193 WeakPolarHBondContact CA-O 3.3Å; S1170-F1193 PolarHBondContact N-O 3.31Å
1194	V	98.3	Very high	92.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	130.4	168	-174.7	0	0	0	0	109.3	V994 L995 Y998 I1167 A1168 F1169 L1226	V994-V1194 WeakPolarHBondContact CA-O 3.36Å; L995-V1194 HydrophobicContact CB-CB 4.26Å; L995-V1194 HydrophobicContact CD1-CB 4.23Å; L995-V1194 HydrophobicContact CD1-CG1 3.76Å; L995-V1194 HydrophobicContact CG-CB 4.41Å; L995-V1194 HydrophobicContact CG-CG1 4.23Å; L995-V1194 PolarHBondContact N-O 3.41Å; Y998-V1194 HydrophobicContact CD1-CG2 3.52Å; Y998-V1194 HydrophobicContact CD2-CB 4.33Å; Y998-V1194 HydrophobicContact CD2-CG2 3.87Å; Y998-V1194 HydrophobicContact CE1-CG2 3.64Å; Y998-V1194 HydrophobicContact CE2-CG2 3.99Å; Y998-V1194 HydrophobicContact CG-CB 4.27Å; Y998-V1194 HydrophobicContact CG-CG2 3.61Å; I1167-V1194 HydrophobicContact CG2-CG1 4.48Å; A1168-V1194 CarbonylContact O-C 3.59Å; A1168-V1194 WeakPolarHBondContact O-CA 3.29Å; F1169-V1194 HydrophobicContact CB-CG1 4.28Å; F1169-V1194 HydrophobicContact CB-CG2 4.16Å; V1194-L1226 HydrophobicContact CG1-CD1 4.33Å; V1194-L1226 HydrophobicContact CG1-CD2 4.31Å
1195	S	98.3	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.1	173	-172.2	0	0	0	0	112	I986 T993 I1167 A1168	I986-S1195 WeakPolarHBondContact CG2-OG 3.42Å; T993-S1195 CarbonylContact O-C 3.58Å; T993-S1195 WeakPolarHBondContact O-CA 3.39Å; T993-S1195 PolarHBondContact O-OG 2.66Å; I1167-S1195 WeakPolarHBondContact CA-O 3.46Å; A1168-S1195 PolarHBondContact N-O 2.79Å; A1168-S1195 PolarHBondContact O-N 3.03Å
1196	I	98.6	Very high	94.1	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.6	179	-59	176.1	0	0	0	108.9	G992 T993 V1165 I1167 L1198 L1213 L1226 L1251	G992-I1196 CarbonylContact C-O 3.44Å; G992-I1196 WeakPolarHBondContact CA-O 3.44Å; T993-I1196 PolarHBondContact N-O 3.31Å; T993-I1196 PolarHBondContact O-N 2.97Å; V1165-I1196 HydrophobicContact CG1-CG2 4.34Å; I1167-I1196 HydrophobicContact CG1-CG1 4.46Å; I1196-L1198 HydrophobicContact CG2-CD2 3.85Å; I1196-L1198 HydrophobicContact CG2-CG 4.31Å; I1196-L1213 HydrophobicContact CB-CD2 4.45Å; I1196-L1213 HydrophobicContact CD1-CD1 4Å; I1196-L1213 HydrophobicContact CG2-CD2 4.26Å; I1196-L1226 HydrophobicContact CD1-CD2 4.29Å; I1196-L1251 HydrophobicContact CD1-CD1 3.32Å
1197	I	98.3	Very high	94.8	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.9	176.5	-52.4	175.7	0	0	0	107.2	I986 L990 F1166	I986-I1197 HydrophobicContact CG1-CD1 4.24Å; I986-I1197 HydrophobicContact CG2-CD1 4.11Å; I986-I1197 HydrophobicContact CG2-CG1 4.37Å; L990-I1197 HydrophobicContact CB-CD1 4.01Å; L990-I1197 HydrophobicContact CB-CG2 3.99Å; L990-I1197 HydrophobicContact CD1-CD1 3.72Å; F1166-I1197 HydrophobicContact CB-CB 4.17Å; F1166-I1197 HydrophobicContact CD1-CB 4.42Å; F1166-I1197 HydrophobicContact CD1-CD1 3.63Å; F1166-I1197 HydrophobicContact CD1-CG1 4.2Å; F1166-I1197 HydrophobicContact CE1-CD1 4.14Å; F1166-I1197 PolarHBondContact N-O 3.01Å; F1166-I1197 PolarHBondContact O-N 2.95Å
1198	L	98	Very high	95.4	Very high	34 Å²	34	38 Å²	38	18%	0.178	18%	0.18	C	C	.	.			trans	-109.5	154.1	-176.4	-59.8	175.8	0	0	0	110.6	V1165 I1196 F1202 V1210 L1213 F1252	V1165-L1198 HydrophobicContact CG1-CD2 4.28Å; V1165-L1198 HydrophobicContact CG2-CD2 4.35Å; I1196-L1198 HydrophobicContact CG2-CD2 3.85Å; I1196-L1198 HydrophobicContact CG2-CG 4.31Å; L1198-F1202 HydrophobicContact CB-CB 4.17Å; L1198-F1202 HydrophobicContact CB-CG 4.38Å; L1198-F1202 HydrophobicContact CD1-CD1 3.87Å; L1198-F1202 HydrophobicContact CD1-CE1 4.25Å; L1198-F1202 HydrophobicContact CD1-CG 4.41Å; L1198-V1210 HydrophobicContact CD1-CG2 3.89Å; L1198-L1213 HydrophobicContact CD1-CD2 3.77Å; L1198-L1213 HydrophobicContact CG-CD2 4.32Å; L1198-F1252 HydrophobicContact CD1-CE1 4.12Å; L1198-F1252 HydrophobicContact CD2-CE1 4.04Å; L1198-F1252 HydrophobicContact CD2-CZ 3.96Å
1199	P	96.8	Very high	95.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.013	18%	0.183	C	C	.	.			trans	-54.9	142.6	171.7	-27.1	35.7	0	0	0	112.4	L960 T1164 W1201 F1202	L960-P1199 HydrophobicContact CD2-CG 4.26Å; T1164-P1199 WeakPolarHBondContact O-CD 3.26Å; P1199-W1201 HydrophobicContact CB-CD2 4.36Å; P1199-W1201 HydrophobicContact CB-CG 4.42Å; P1199-W1201 HydrophobicContact CB-CZ2 4.26Å; P1199-W1201 HydrophobicContact CG-CZ2 4.4Å; P1199-W1201 PolarHBondContact O-N 3.12Å; P1199-F1202 HydrophobicContact CB-CB 4.44Å; P1199-F1202 WeakPolarHBondContact O-CB 3.32Å; P1199-F1202 PolarHBondContact O-N 3.4Å
1200	P	93.4	Very high	96.3	Very high	79 Å²	79	39 Å²	39	51%	0.513	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.5	-175.9	-28.7	35.4	0	0	0	115	R1204	P1200-R1204 PolarHBondContact O-NH1 3.43Å
1201	W	95.6	Very high	96.6	Very high	70 Å²	70	46.3 Å²	46.3	27%	0.265	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-20.3	177.6	61	-100.8	0	0	0	113.5	F956 L960 N1162 P1199 K1203 R1204 K1205 F1206	F956-W1201 AromaticContact CD1-CH2 3.99Å; F956-W1201 HydrophobicContact CD1-CH2 3.99Å; F956-W1201 HydrophobicContact CE1-CH2 4.19Å; L960-W1201 HydrophobicContact CD2-CH2 4.06Å; L960-W1201 HydrophobicContact CD2-CZ2 3.63Å; N1162-W1201 PolarHBondContact O-NE1 2.87Å; P1199-W1201 HydrophobicContact CB-CD2 4.36Å; P1199-W1201 HydrophobicContact CB-CG 4.42Å; P1199-W1201 HydrophobicContact CB-CZ2 4.26Å; P1199-W1201 HydrophobicContact CG-CZ2 4.4Å; P1199-W1201 PolarHBondContact O-N 3.12Å; W1201-K1203 VanDerWaalsContact C-N 3.3Å; W1201-K1203 PolarHBondContact O-N 3.1Å; W1201-R1204 WeakPolarHBondContact O-CB 2.95Å; W1201-R1204 PolarHBondContact O-N 2.89Å; W1201-K1205 HydrophobicContact CE3-CB 4.17Å; W1201-K1205 HydrophobicContact CE3-CD 4.34Å; W1201-K1205 HydrophobicContact CZ3-CB 4.32Å; W1201-K1205 HydrophobicContact CZ3-CD 3.99Å; W1201-K1205 PolarHBondContact O-N 2.67Å; W1201-K1205 VanDerWaalsContact O-N 3.16Å; W1201-F1206 HydrophobicContact CZ3-CE2 4.25Å
1202	F	96.6	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-40.8	-172.6	-161.9	-77.6	0	0	0	111.7	F956 L960 L1198 P1199 R1204 K1205 F1206 V1210 F1236 F1252	F956-F1202 HydrophobicContact CE1-CD2 4.4Å; F956-F1202 AromaticContact CE1-CE2 3.7Å; F956-F1202 HydrophobicContact CE1-CE2 3.7Å; F956-F1202 HydrophobicContact CE1-CZ 4.43Å; F956-F1202 AromaticContact CZ-CE2 3.94Å; F956-F1202 HydrophobicContact CZ-CE2 3.94Å; F956-F1202 HydrophobicContact CZ-CZ 4.42Å; L960-F1202 HydrophobicContact CD1-CD2 4.17Å; L960-F1202 HydrophobicContact CD1-CE2 3.88Å; L1198-F1202 HydrophobicContact CB-CB 4.17Å; L1198-F1202 HydrophobicContact CB-CG 4.38Å; L1198-F1202 HydrophobicContact CD1-CD1 3.87Å; L1198-F1202 HydrophobicContact CD1-CE1 4.25Å; L1198-F1202 HydrophobicContact CD1-CG 4.41Å; P1199-F1202 HydrophobicContact CB-CB 4.44Å; P1199-F1202 WeakPolarHBondContact O-CB 3.32Å; P1199-F1202 PolarHBondContact O-N 3.4Å; F1202-R1204 VanDerWaalsContact C-N 3.28Å; F1202-R1204 PolarHBondContact O-N 3.3Å; F1202-K1205 PolarHBondContact O-N 3.23Å; F1202-F1206 HydrophobicContact CD1-CB 4.23Å; F1202-F1206 HydrophobicContact CD1-CD2 4.14Å; F1202-F1206 HydrophobicContact CD2-CD2 4.31Å; F1202-F1206 HydrophobicContact CE1-CB 3.95Å; F1202-F1206 AromaticContact CE1-CD2 3.92Å; F1202-F1206 HydrophobicContact CE1-CD2 3.92Å; F1202-F1206 HydrophobicContact CE1-CG 4.35Å; F1202-F1206 HydrophobicContact CE2-CD2 4.11Å; F1202-F1206 HydrophobicContact CE2-CE2 4.47Å; F1202-F1206 HydrophobicContact CG-CD2 4.34Å; F1202-F1206 AromaticContact CZ-CD2 3.9Å; F1202-F1206 HydrophobicContact CZ-CD2 3.9Å; F1202-F1206 PolarHBondContact O-N 3.26Å; F1202-V1210 HydrophobicContact CD1-CG2 3.89Å; F1202-V1210 HydrophobicContact CE1-CG2 4.4Å; F1202-F1236 HydrophobicContact CE1-CZ 4.01Å; F1202-F1236 HydrophobicContact CZ-CE1 4.07Å; F1202-F1236 AromaticContact CZ-CE2 3.97Å; F1202-F1236 HydrophobicContact CZ-CE2 3.97Å; F1202-F1236 AromaticContact CZ-CZ 3.6Å; F1202-F1236 HydrophobicContact CZ-CZ 3.6Å; F1202-F1252 HydrophobicContact CE1-CD1 4.4Å; F1202-F1252 AromaticContact CE1-CE1 3.94Å; F1202-F1252 HydrophobicContact CE1-CE1 3.94Å; F1202-F1252 HydrophobicContact CE1-CZ 4.42Å; F1202-F1252 HydrophobicContact CZ-CE1 4.07Å; F1202-F1252 HydrophobicContact CZ-CZ 4.11Å
1203	K	93.5	Very high	97	Very high	147 Å²	147	46.2 Å²	46.2	64%	0.639	22%	0.215	S	C	*	.	H	α-helix	trans	-61.6	-33.1	176.2	-177.5	176.6	178.9	-178.8	0	113.4	W1201 P1207 V1210	W1201-K1203 VanDerWaalsContact C-N 3.3Å; W1201-K1203 PolarHBondContact O-N 3.1Å; K1203-P1207 WeakPolarHBondContact O-CA 3.43Å; K1203-V1210 HydrophobicContact CB-CG1 4.46Å; K1203-V1210 HydrophobicContact CB-CG2 4.17Å; K1203-V1210 HydrophobicContact CD-CG1 4.44Å; K1203-V1210 HydrophobicContact CG-CB 4.48Å; K1203-V1210 HydrophobicContact CG-CG1 4.14Å
1204	R	95.5	Very high	97	Very high	189 Å²	189	51.3 Å²	51.3	71%	0.713	24%	0.24	S	C	*	.	H	α-helix	trans	-74.3	-40.7	178.2	-62.7	-168.4	-63.2	-87	5.3	111.2	P1200 W1201 F1202	P1200-R1204 PolarHBondContact O-NH1 3.43Å; W1201-R1204 WeakPolarHBondContact O-CB 2.95Å; W1201-R1204 PolarHBondContact O-N 2.89Å; F1202-R1204 VanDerWaalsContact C-N 3.28Å; F1202-R1204 PolarHBondContact O-N 3.3Å
1205	K	96	Very high	96.9	Very high	94 Å²	94	55.4 Å²	55.4	41%	0.409	26%	0.258	S	S	.	.	H	α-helix	trans	-77.3	-36.7	-178.9	-166.3	170.6	-179.1	173.5	0	112.9	W1201 F1202	W1201-K1205 HydrophobicContact CE3-CB 4.17Å; W1201-K1205 HydrophobicContact CE3-CD 4.34Å; W1201-K1205 HydrophobicContact CZ3-CB 4.32Å; W1201-K1205 HydrophobicContact CZ3-CD 3.99Å; W1201-K1205 PolarHBondContact O-N 2.67Å; W1201-K1205 VanDerWaalsContact O-N 3.16Å; F1202-K1205 PolarHBondContact O-N 3.23Å
1206	F	96.9	Very high	96.8	Very high	27 Å²	27	55.4 Å²	55.4	12%	0.118	26%	0.258	C	S	.	.			trans	-130.6	63.2	-173.9	-54.8	-66.7	0	0	0	113	F956 W1201 F1202 T1208 A1209 V1210 F1236	F956-F1206 HydrophobicContact CD1-CE2 4.1Å; F956-F1206 HydrophobicContact CD1-CZ 4.5Å; F956-F1206 HydrophobicContact CE1-CD2 4.4Å; F956-F1206 AromaticContact CE1-CE2 3.55Å; F956-F1206 HydrophobicContact CE1-CE2 3.55Å; F956-F1206 HydrophobicContact CE1-CZ 4.16Å; F956-F1206 HydrophobicContact CZ-CE2 4.36Å; W1201-F1206 HydrophobicContact CZ3-CE2 4.25Å; F1202-F1206 HydrophobicContact CD1-CB 4.23Å; F1202-F1206 HydrophobicContact CD1-CD2 4.14Å; F1202-F1206 HydrophobicContact CD2-CD2 4.31Å; F1202-F1206 HydrophobicContact CE1-CB 3.95Å; F1202-F1206 AromaticContact CE1-CD2 3.92Å; F1202-F1206 HydrophobicContact CE1-CD2 3.92Å; F1202-F1206 HydrophobicContact CE1-CG 4.35Å; F1202-F1206 HydrophobicContact CE2-CD2 4.11Å; F1202-F1206 HydrophobicContact CE2-CE2 4.47Å; F1202-F1206 HydrophobicContact CG-CD2 4.34Å; F1202-F1206 AromaticContact CZ-CD2 3.9Å; F1202-F1206 HydrophobicContact CZ-CD2 3.9Å; F1202-F1206 PolarHBondContact O-N 3.26Å; F1206-T1208 VanDerWaalsContact C-N 3.33Å; F1206-T1208 PolarHBondContact O-N 3.19Å; F1206-A1209 HydrophobicContact CB-CB 4.03Å; F1206-A1209 PolarHBondContact O-N 2.97Å; F1206-V1210 PolarHBondContact O-N 2.93Å; F1206-V1210 VanDerWaalsContact O-N 3.14Å; F1206-F1236 HydrophobicContact CB-CE1 3.94Å; F1206-F1236 HydrophobicContact CB-CZ 4.43Å; F1206-F1236 AromaticContact CD1-CD1 3.94Å; F1206-F1236 HydrophobicContact CD1-CD1 3.94Å; F1206-F1236 AromaticContact CD1-CE1 3.47Å; F1206-F1236 HydrophobicContact CD1-CE1 3.47Å; F1206-F1236 VanDerWaalsContact CD1-CE1 3.47Å; F1206-F1236 HydrophobicContact CD2-CD1 4.16Å; F1206-F1236 AromaticContact CD2-CE1 3.66Å; F1206-F1236 HydrophobicContact CD2-CE1 3.66Å; F1206-F1236 HydrophobicContact CD2-CZ 4.47Å; F1206-F1236 AromaticContact CE1-CD1 3.66Å; F1206-F1236 HydrophobicContact CE1-CD1 3.66Å; F1206-F1236 AromaticContact CE1-CE1 3.72Å; F1206-F1236 HydrophobicContact CE1-CE1 3.72Å; F1206-F1236 AromaticContact CE2-CD1 3.92Å; F1206-F1236 HydrophobicContact CE2-CD1 3.92Å; F1206-F1236 AromaticContact CE2-CE1 3.92Å; F1206-F1236 HydrophobicContact CE2-CE1 3.92Å; F1206-F1236 HydrophobicContact CG-CD1 4.15Å; F1206-F1236 AromaticContact CG-CE1 3.41Å; F1206-F1236 HydrophobicContact CG-CE1 3.41Å; F1206-F1236 VanDerWaalsContact CG-CE1 3.41Å; F1206-F1236 HydrophobicContact CG-CZ 4.29Å; F1206-F1236 AromaticContact CZ-CD1 3.65Å; F1206-F1236 HydrophobicContact CZ-CD1 3.65Å; F1206-F1236 AromaticContact CZ-CE1 3.93Å; F1206-F1236 HydrophobicContact CZ-CE1 3.93Å
1207	P	96.9	Very high	96.7	Very high	69 Å²	69	55.4 Å²	55.4	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-34.7	-174.6	25.4	-34.9	0	0	0	113.5	K1203 R1211	K1203-P1207 WeakPolarHBondContact O-CA 3.43Å; P1207-R1211 WeakPolarHBondContact O-CB 3.39Å; P1207-R1211 PolarHBondContact O-N 3.06Å
1208	T	97.5	Very high	96.4	Very high	56 Å²	56	59.4 Å²	59.4	34%	0.344	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-46.9	176.7	-54.7	0	0	0	0	111.4	F1206 V1210 R1211 N1212 E1240	F1206-T1208 VanDerWaalsContact C-N 3.33Å; F1206-T1208 PolarHBondContact O-N 3.19Å; T1208-V1210 VanDerWaalsContact C-N 3.34Å; T1208-V1210 PolarHBondContact O-N 3.33Å; T1208-R1211 WeakPolarHBondContact O-CB 3.45Å; T1208-R1211 PolarHBondContact O-N 2.59Å; T1208-R1211 VanDerWaalsContact O-N 3.14Å; T1208-N1212 VanDerWaalsContact O-CG 3.3Å; T1208-N1212 PolarHBondContact O-N 2.83Å; T1208-E1240 HydrophobicContact CG2-CG 4.3Å
1209	A	97.6	Very high	96.2	Very high	8 Å²	8	61.5 Å²	61.5	7%	0.066	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-41.7	177.3	0	0	0	0	0	112.5	F1206 N1212 L1213 F1236 F1252	F1206-A1209 HydrophobicContact CB-CB 4.03Å; F1206-A1209 PolarHBondContact O-N 2.97Å; A1209-N1212 PolarHBondContact O-N 2.88Å; A1209-L1213 PolarHBondContact O-N 3.37Å; A1209-F1236 HydrophobicContact CB-CE1 4.4Å; A1209-F1236 HydrophobicContact CB-CZ 3.75Å; A1209-F1252 HydrophobicContact CB-CB 3.95Å; A1209-F1252 HydrophobicContact CB-CD1 3.99Å; A1209-F1252 HydrophobicContact CB-CG 4.31Å
1210	V	97.4	Very high	96.1	Very high	20 Å²	20	61.7 Å²	61.7	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-38.5	175.7	175.6	0	0	0	0	111.5	L1198 F1202 K1203 F1206 T1208 N1212 L1213 M1214	L1198-V1210 HydrophobicContact CD1-CG2 3.89Å; F1202-V1210 HydrophobicContact CD1-CG2 3.89Å; F1202-V1210 HydrophobicContact CE1-CG2 4.4Å; K1203-V1210 HydrophobicContact CB-CG1 4.46Å; K1203-V1210 HydrophobicContact CB-CG2 4.17Å; K1203-V1210 HydrophobicContact CD-CG1 4.44Å; K1203-V1210 HydrophobicContact CG-CB 4.48Å; K1203-V1210 HydrophobicContact CG-CG1 4.14Å; F1206-V1210 PolarHBondContact O-N 2.93Å; F1206-V1210 VanDerWaalsContact O-N 3.14Å; T1208-V1210 VanDerWaalsContact C-N 3.34Å; T1208-V1210 PolarHBondContact O-N 3.33Å; V1210-N1212 VanDerWaalsContact C-N 3.33Å; V1210-N1212 PolarHBondContact O-N 2.87Å; V1210-L1213 PolarHBondContact O-N 3.3Å; V1210-M1214 VanDerWaalsContact O-CG 3.27Å; V1210-M1214 WeakPolarHBondContact O-CG 3.41Å; V1210-M1214 PolarHBondContact O-N 3.18Å
1211	R	97.6	Very high	96.3	Very high	159 Å²	159	58 Å²	58	60%	0.6	26%	0.262	S	S	*	.	H	α-helix	trans	-62.2	-42.2	174	-169.7	-170.4	-50.8	-120.8	1.7	111.4	P1207 T1208 M1214 K1215	P1207-R1211 WeakPolarHBondContact O-CB 3.39Å; P1207-R1211 PolarHBondContact O-N 3.06Å; T1208-R1211 WeakPolarHBondContact O-CB 3.45Å; T1208-R1211 PolarHBondContact O-N 2.59Å; T1208-R1211 VanDerWaalsContact O-N 3.14Å; R1211-M1214 PolarHBondContact O-N 2.8Å; R1211-K1215 WeakPolarHBondContact O-CG 3.38Å; R1211-K1215 PolarHBondContact O-N 3.3Å
1212	N	98.4	Very high	96.4	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-46.1	176.5	-71.2	-8.5	0	0	0	111.2	T1208 A1209 V1210 M1214 K1215 N1216 E1240 F1252 E1254	T1208-N1212 VanDerWaalsContact O-CG 3.3Å; T1208-N1212 PolarHBondContact O-N 2.83Å; A1209-N1212 PolarHBondContact O-N 2.88Å; V1210-N1212 VanDerWaalsContact C-N 3.33Å; V1210-N1212 PolarHBondContact O-N 2.87Å; N1212-M1214 VanDerWaalsContact C-N 3.31Å; N1212-M1214 PolarHBondContact O-N 2.58Å; N1212-K1215 WeakPolarHBondContact O-CB 3.48Å; N1212-K1215 PolarHBondContact O-N 2.96Å; N1212-K1215 VanDerWaalsContact O-N 3.13Å; N1212-N1216 VanDerWaalsContact O-CB 3.29Å; N1212-N1216 WeakPolarHBondContact O-CB 3.44Å; N1212-N1216 PolarHBondContact O-N 3.45Å; N1212-N1216 PolarHBondContact O-ND2 2.77Å; N1212-E1240 PolarHBondContact ND2-O 2.83Å; N1212-E1240 VanDerWaalsContact ND2-O 3.08Å; N1212-F1252 VanDerWaalsContact CB-O 3.27Å; N1212-F1252 WeakPolarHBondContact CB-O 3.12Å; N1212-F1252 PolarHBondContact ND2-O 3.18Å; N1212-E1254 PolarHBondContact ND2-N 3.25Å
1213	L	98.4	Very high	96.4	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-55.5	-45.7	173.6	175.8	61.1	0	0	0	111.8	T993 L995 I1196 L1198 A1209 V1210 K1215 N1216 G1217 L1251 F1252	T993-L1213 HydrophobicContact CG2-CD1 4.33Å; T993-L1213 HydrophobicContact CG2-CG 4.05Å; L995-L1213 HydrophobicContact CD2-CD1 4.38Å; I1196-L1213 HydrophobicContact CB-CD2 4.45Å; I1196-L1213 HydrophobicContact CD1-CD1 4Å; I1196-L1213 HydrophobicContact CG2-CD2 4.26Å; L1198-L1213 HydrophobicContact CD1-CD2 3.77Å; L1198-L1213 HydrophobicContact CG-CD2 4.32Å; A1209-L1213 PolarHBondContact O-N 3.37Å; V1210-L1213 PolarHBondContact O-N 3.3Å; L1213-K1215 PolarHBondContact O-N 2.96Å; L1213-N1216 PolarHBondContact O-N 2.76Å; L1213-G1217 PolarHBondContact O-N 2.93Å; L1213-L1251 VanDerWaalsContact CA-O 3.24Å; L1213-L1251 WeakPolarHBondContact CA-O 3.41Å; L1213-L1251 HydrophobicContact CD1-CB 3.93Å; L1213-L1251 PolarHBondContact N-O 3.39Å; L1213-F1252 HydrophobicContact CD2-CE1 4.44Å
1214	M	96.9	Very high	96.6	Very high	108 Å²	108	48 Å²	48	53%	0.532	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-39.1	177.4	-68.8	-63.4	-64.8	0	0	112.8	T993 V1210 R1211 N1212	T993-M1214 HydrophobicContact CG2-SD 3.9Å; T993-M1214 PolarHBondContact OG1-SD 3.45Å; V1210-M1214 VanDerWaalsContact O-CG 3.27Å; V1210-M1214 WeakPolarHBondContact O-CG 3.41Å; V1210-M1214 PolarHBondContact O-N 3.18Å; R1211-M1214 PolarHBondContact O-N 2.8Å; N1212-M1214 VanDerWaalsContact C-N 3.31Å; N1212-M1214 PolarHBondContact O-N 2.58Å
1215	K	96.4	Very high	96.8	Very high	86 Å²	86	39 Å²	39	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-64.3	-46.2	172.5	-73	-180	176.8	-173.5	0	111	R1211 N1212 L1213 G1217 N1218 E1254	R1211-K1215 WeakPolarHBondContact O-CG 3.38Å; R1211-K1215 PolarHBondContact O-N 3.3Å; N1212-K1215 WeakPolarHBondContact O-CB 3.48Å; N1212-K1215 PolarHBondContact O-N 2.96Å; N1212-K1215 VanDerWaalsContact O-N 3.13Å; L1213-K1215 PolarHBondContact O-N 2.96Å; K1215-G1217 PolarHBondContact O-N 3.23Å; K1215-N1218 PolarHBondContact O-N 3.1Å; K1215-E1254 HydrophobicContact CD-CG 4.24Å; K1215-E1254 WeakPolarHBondContact CD-OE1 3.24Å; K1215-E1254 IonicContact NZ-OE1 2.77Å; K1215-E1254 PolarHBondContact NZ-OE1 3.03Å; K1215-E1254 IonicContact NZ-OE2 3.37Å; K1215-E1254 PolarHBondContact NZ-OE2 3.08Å
1216	N	97.7	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-23.1	-178.4	-67.9	-20.3	0	0	0	112.9	N1212 L1213 N1218 R1219 L1251 S1253 I1255	N1212-N1216 VanDerWaalsContact O-CB 3.29Å; N1212-N1216 WeakPolarHBondContact O-CB 3.44Å; N1212-N1216 PolarHBondContact O-N 3.45Å; N1212-N1216 PolarHBondContact O-ND2 2.77Å; L1213-N1216 PolarHBondContact O-N 2.76Å; N1216-N1218 PolarHBondContact O-N 3.21Å; N1216-R1219 PolarHBondContact O-N 3.49Å; N1216-L1251 HydrophobicContact CB-CD2 4.31Å; N1216-L1251 PolarHBondContact ND2-O 3.16Å; N1216-S1253 PolarHBondContact ND2-O 3.21Å; N1216-I1255 HydrophobicContact CB-CD1 4.21Å; N1216-I1255 WeakPolarHBondContact OD1-CB 3.4Å; N1216-I1255 PolarHBondContact OD1-N 2.96Å
1217	G	94.5	Very high	97	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.021	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.1	168.7	0	0	0	0	0	113.5	V994 E996 L1213 K1215	V994-G1217 WeakPolarHBondContact O-CA 3.25Å; E996-G1217 WeakPolarHBondContact CB-O 3.44Å; E996-G1217 PolarHBondContact N-O 3.4Å; L1213-G1217 PolarHBondContact O-N 2.93Å; K1215-G1217 PolarHBondContact O-N 3.23Å
1218	N	92.9	Very high	97	Very high	90 Å²	90	32.5 Å²	32.5	48%	0.481	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	24.7	175.6	-63	-75.4	0	0	0	113.2	M997 K1215 N1216	M997-N1218 VanDerWaalsContact SD-C 3.59Å; K1215-N1218 PolarHBondContact O-N 3.1Å; N1216-N1218 PolarHBondContact O-N 3.21Å
1219	R	93.6	Very high	97.1	Very high	78 Å²	78	30.1 Å²	30.1	29%	0.294	14%	0.141	S	C	.	.	S	Bend	trans	-122.2	156.5	178	-61.4	-65.9	-169.6	-169.6	-0.1	111	M997 N1216 T1221 I1255 A1257	M997-R1219 VanDerWaalsContact CB-O 3.23Å; M997-R1219 WeakPolarHBondContact CB-O 3.43Å; N1216-R1219 PolarHBondContact O-N 3.49Å; R1219-T1221 PolarHBondContact O-N 3.05Å; R1219-T1221 VanDerWaalsContact O-N 3.12Å; R1219-I1255 HydrophobicContact CB-CB 4.33Å; R1219-I1255 HydrophobicContact CB-CG2 4.28Å; R1219-A1257 VanDerWaalsContact CZ-CB 3.44Å; R1219-A1257 VanDerWaalsContact NH1-CA 3.26Å
1220	L	94.8	Very high	97.1	Very high	6 Å²	6	30 Å²	30	3%	0.031	14%	0.139	C	C	.	.			trans	-58.5	117.1	173.5	179.4	63.1	0	0	0	109.8	C836 N999 R1259 D1260 A1264 I1266	C836-L1220 HydrophobicContact CB-CB 3.88Å; C836-L1220 HydrophobicContact CB-CD2 4.03Å; C836-L1220 HydrophobicContact CB-CG 4.44Å; N999-L1220 HydrophobicContact CB-CD1 3.8Å; L1220-R1259 PolarHBondContact O-NH1 3.03Å; L1220-D1260 VanDerWaalsContact CD2-C 3.44Å; L1220-D1260 WeakPolarHBondContact CD2-O 3.45Å; L1220-A1264 HydrophobicContact CD2-CB 3.91Å; L1220-A1264 HydrophobicContact CG-CB 4.4Å; L1220-I1266 HydrophobicContact CD1-CD1 3.88Å; L1220-I1266 HydrophobicContact CD2-CD1 4.1Å; L1220-I1266 HydrophobicContact CG-CD1 4.27Å
1221	T	97.4	Very high	97.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-132	156.8	-179.7	48.1	0	0	0	0	110.3	M997 Y998 N999 R1219 D1225 L1251 I1255	M997-T1221 PolarHBondContact O-N 3.36Å; Y998-T1221 CarbonylContact C-O 3.55Å; Y998-T1221 WeakPolarHBondContact CA-O 3.45Å; Y998-T1221 WeakPolarHBondContact CA-OG1 3.35Å; N999-T1221 PolarHBondContact N-O 3.48Å; R1219-T1221 PolarHBondContact O-N 3.05Å; R1219-T1221 VanDerWaalsContact O-N 3.12Å; T1221-D1225 VanDerWaalsContact CA-OD2 3.23Å; T1221-D1225 WeakPolarHBondContact CA-OD2 3.34Å; T1221-L1251 HydrophobicContact CG2-CD2 3.41Å; T1221-L1251 VanDerWaalsContact CG2-CD2 3.41Å; T1221-I1255 HydrophobicContact CG2-CD1 3.54Å
1222	T	97.1	Very high	97	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.			trans	-144.7	167.4	-168.5	63.7	0	0	0	0	111.5	Y998 V1001 F1224 D1225 L1226 A1264 I1266	Y998-T1222 VanDerWaalsContact CE2-C 3.4Å; Y998-T1222 WeakPolarHBondContact CE2-O 3.29Å; V1001-T1222 HydrophobicContact CG1-CG2 4.24Å; T1222-F1224 PolarHBondContact O-N 3.18Å; T1222-F1224 PolarHBondContact OG1-N 2.97Å; T1222-D1225 PolarHBondContact N-OD2 2.98Å; T1222-D1225 WeakPolarHBondContact O-CB 3.2Å; T1222-D1225 PolarHBondContact O-N 3.32Å; T1222-D1225 PolarHBondContact OG1-N 2.93Å; T1222-D1225 PolarHBondContact OG1-OD2 3.08Å; T1222-L1226 PolarHBondContact O-N 3Å; T1222-A1264 HydrophobicContact CG2-CB 3.98Å; T1222-I1266 HydrophobicContact CG2-CD1 3.68Å; T1222-I1266 HydrophobicContact CG2-CG1 3.94Å
1223	P	98.1	Very high	96.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-45.8	-38	165.4	-36.2	40.7	0	0	0	115.4	Y998 N999 V1001 P1011 I1012 D1225 L1226 H1227	Y998-P1223 HydrophobicContact CE1-CG 4.44Å; Y998-P1223 VanDerWaalsContact OH-CA 3.25Å; Y998-P1223 WeakPolarHBondContact OH-CA 3.48Å; Y998-P1223 WeakPolarHBondContact OH-CD 3.29Å; Y998-P1223 VanDerWaalsContact OH-CG 3.31Å; Y998-P1223 WeakPolarHBondContact OH-CG 3.35Å; N999-P1223 WeakPolarHBondContact O-CD 3.5Å; V1001-P1223 HydrophobicContact CG2-CB 4.45Å; V1001-P1223 HydrophobicContact CG2-CG 4.14Å; P1011-P1223 HydrophobicContact CB-CB 3.56Å; P1011-P1223 HydrophobicContact CG-CB 4.43Å; I1012-P1223 HydrophobicContact CG1-CB 3.89Å; P1223-D1225 VanDerWaalsContact C-N 3.31Å; P1223-D1225 PolarHBondContact O-N 3.04Å; P1223-L1226 PolarHBondContact O-N 3.42Å; P1223-H1227 PolarHBondContact O-N 2.81Å; P1223-H1227 VanDerWaalsContact O-N 3.14Å
1224	F	98.1	Very high	96.7	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-30.5	178.1	-60.4	-67.4	0	0	0	113.1	V1001 P1011 T1017 T1222 H1227 A1228 R1247	V1001-F1224 HydrophobicContact CB-CE2 4.21Å; V1001-F1224 HydrophobicContact CG1-CD2 4.1Å; V1001-F1224 HydrophobicContact CG1-CE2 3.84Å; V1001-F1224 HydrophobicContact CG2-CE2 4.19Å; P1011-F1224 HydrophobicContact CB-CD1 3.88Å; P1011-F1224 HydrophobicContact CB-CE1 3.63Å; P1011-F1224 HydrophobicContact CB-CG 4.46Å; P1011-F1224 HydrophobicContact CB-CZ 4.02Å; P1011-F1224 HydrophobicContact CG-CE1 4.1Å; P1011-F1224 HydrophobicContact CG-CZ 4.13Å; T1017-F1224 HydrophobicContact CG2-CE1 4.5Å; T1017-F1224 HydrophobicContact CG2-CZ 3.8Å; T1222-F1224 PolarHBondContact O-N 3.18Å; T1222-F1224 PolarHBondContact OG1-N 2.97Å; F1224-H1227 PolarHBondContact O-N 3.28Å; F1224-A1228 WeakPolarHBondContact O-CB 3.33Å; F1224-A1228 PolarHBondContact O-N 3.48Å; F1224-R1247 HydrophobicContact CB-CG 4.29Å; F1224-R1247 HydrophobicContact CD1-CG 4.36Å; F1224-R1247 HydrophobicContact CD2-CG 4.36Å; F1224-R1247 VanDerWaalsContact CE1-NE 3.34Å; F1224-R1247 HydrophobicContact CG-CG 4.1Å
1225	D	98.5	Very high	96.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72	-36.1	176.5	-57.7	-53.2	0	0	0	111.4	T1221 T1222 P1223 H1227 A1228 T1229 G1248 I1249 L1251 R1259	T1221-D1225 VanDerWaalsContact CA-OD2 3.23Å; T1221-D1225 WeakPolarHBondContact CA-OD2 3.34Å; T1222-D1225 PolarHBondContact N-OD2 2.98Å; T1222-D1225 WeakPolarHBondContact O-CB 3.2Å; T1222-D1225 PolarHBondContact O-N 3.32Å; T1222-D1225 PolarHBondContact OG1-N 2.93Å; T1222-D1225 PolarHBondContact OG1-OD2 3.08Å; P1223-D1225 VanDerWaalsContact C-N 3.31Å; P1223-D1225 PolarHBondContact O-N 3.04Å; D1225-H1227 VanDerWaalsContact C-N 3.35Å; D1225-A1228 PolarHBondContact O-N 3.03Å; D1225-T1229 WeakPolarHBondContact O-CB 3.47Å; D1225-T1229 PolarHBondContact O-N 2.76Å; D1225-T1229 PolarHBondContact O-OG1 3.16Å; D1225-G1248 WeakPolarHBondContact OD1-CA 3.33Å; D1225-I1249 WeakPolarHBondContact CA-O 3.38Å; D1225-I1249 VanDerWaalsContact CB-O 3.3Å; D1225-I1249 WeakPolarHBondContact CB-O 3.42Å; D1225-I1249 PolarHBondContact OD1-N 3.32Å; D1225-L1251 HydrophobicContact CB-CD2 4.23Å; D1225-L1251 HydrophobicContact CB-CG 4.43Å; D1225-R1259 VanDerWaalsContact CG-NH2 3.31Å; D1225-R1259 IonicContact OD1-CZ 2.93Å; D1225-R1259 IonicContact OD1-NH1 2.64Å; D1225-R1259 PolarHBondContact OD1-NH1 3.28Å; D1225-R1259 IonicContact OD1-NH2 3.2Å; D1225-R1259 PolarHBondContact OD1-NH2 3.43Å; D1225-R1259 IonicContact OD2-CZ 3.39Å; D1225-R1259 IonicContact OD2-NH1 3Å; D1225-R1259 PolarHBondContact OD2-NH1 2.9Å; D1225-R1259 IonicContact OD2-NH2 3.92Å; D1225-R1259 PolarHBondContact OD2-NH2 3.49Å
1226	L	98.3	Very high	96.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-62	-44.9	171.2	-69.1	178.3	0	0	0	110.6	L995 Y998 I1012 V1194 I1196 T1222 P1223 A1228 T1229 L1230 L1251	L995-L1226 HydrophobicContact CD1-CD2 4.42Å; Y998-L1226 HydrophobicContact CE2-CD1 3.82Å; Y998-L1226 HydrophobicContact CE2-CG 4Å; Y998-L1226 VanDerWaalsContact OH-CD1 3.28Å; Y998-L1226 WeakPolarHBondContact OH-CD1 3.18Å; I1012-L1226 HydrophobicContact CD1-CD1 4.01Å; I1012-L1226 HydrophobicContact CG1-CB 4.38Å; I1012-L1226 HydrophobicContact CG1-CD1 4.14Å; V1194-L1226 HydrophobicContact CG1-CD1 4.33Å; V1194-L1226 HydrophobicContact CG1-CD2 4.31Å; I1196-L1226 HydrophobicContact CD1-CD2 4.29Å; T1222-L1226 PolarHBondContact O-N 3Å; P1223-L1226 PolarHBondContact O-N 3.42Å; L1226-A1228 PolarHBondContact O-N 3.31Å; L1226-T1229 WeakPolarHBondContact O-CB 3.24Å; L1226-T1229 PolarHBondContact O-N 3.45Å; L1226-T1229 VanDerWaalsContact O-N 3.15Å; L1226-L1230 WeakPolarHBondContact O-CG 3.17Å; L1226-L1230 PolarHBondContact O-N 2.71Å; L1226-L1251 HydrophobicContact CD2-CD1 3.79Å
1227	H	98.6	Very high	96.4	Very high	31 Å²	31	26.7 Å²	26.7	14%	0.144	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-47.6	175.7	-173.1	76.6	0	0	0	112.4	P1011 I1012 T1014 G1015 P1223 F1224 D1225 T1229 L1230 K1231	P1011-H1227 WeakPolarHBondContact O-CB 3.48Å; I1012-H1227 WeakPolarHBondContact O-CB 3.41Å; I1012-H1227 PolarHBondContact O-ND1 2.74Å; T1014-H1227 VanDerWaalsContact C-CE1 3.48Å; G1015-H1227 VanDerWaalsContact CA-CD2 3.4Å; G1015-H1227 WeakPolarHBondContact CA-CD2 3.17Å; G1015-H1227 PolarHBondContact N-CE1 3.02Å; G1015-H1227 PolarHBondContact N-ND1 2.8Å; P1223-H1227 PolarHBondContact O-N 2.81Å; P1223-H1227 VanDerWaalsContact O-N 3.14Å; F1224-H1227 PolarHBondContact O-N 3.28Å; D1225-H1227 VanDerWaalsContact C-N 3.35Å; H1227-T1229 PolarHBondContact O-N 2.76Å; H1227-L1230 PolarHBondContact O-N 3.15Å; H1227-K1231 PolarHBondContact O-N 2.67Å
1228	A	98.1	Very high	96.4	Very high	22 Å²	22	27.6 Å²	27.6	18%	0.182	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-34.8	176	0	0	0	0	0	112.2	F1224 D1225 L1226 S1232	F1224-A1228 WeakPolarHBondContact O-CB 3.33Å; F1224-A1228 PolarHBondContact O-N 3.48Å; D1225-A1228 PolarHBondContact O-N 3.03Å; L1226-A1228 PolarHBondContact O-N 3.31Å; A1228-S1232 WeakPolarHBondContact O-CB 3.1Å; A1228-S1232 PolarHBondContact O-N 2.79Å
1229	T	98.4	Very high	96.6	Very high	6 Å²	6	28 Å²	28	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-47.7	175	-55.2	0	0	0	0	111.2	D1225 L1226 H1227 K1231 S1232 L1233 L1251 F1252	D1225-T1229 WeakPolarHBondContact O-CB 3.47Å; D1225-T1229 PolarHBondContact O-N 2.76Å; D1225-T1229 PolarHBondContact O-OG1 3.16Å; L1226-T1229 WeakPolarHBondContact O-CB 3.24Å; L1226-T1229 PolarHBondContact O-N 3.45Å; L1226-T1229 VanDerWaalsContact O-N 3.15Å; H1227-T1229 PolarHBondContact O-N 2.76Å; T1229-K1231 VanDerWaalsContact C-N 3.34Å; T1229-K1231 PolarHBondContact O-N 3.36Å; T1229-S1232 PolarHBondContact O-N 3.41Å; T1229-S1232 VanDerWaalsContact O-N 3.14Å; T1229-S1232 PolarHBondContact O-OG 3.18Å; T1229-L1233 PolarHBondContact O-N 3.02Å; T1229-L1251 HydrophobicContact CG2-CB 4.29Å; T1229-L1251 WeakPolarHBondContact OG1-CB 3.47Å; T1229-L1251 VanDerWaalsContact OG1-CG 3.31Å; T1229-L1251 WeakPolarHBondContact OG1-CG 3.48Å; T1229-L1251 PolarHBondContact OG1-N 2.82Å; T1229-F1252 HydrophobicContact CG2-CD2 3.78Å; T1229-F1252 HydrophobicContact CG2-CE2 3.45Å; T1229-F1252 VanDerWaalsContact CG2-CE2 3.45Å; T1229-F1252 HydrophobicContact CG2-CZ 4.2Å
1230	L	98.1	Very high	96.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-45	175.9	-66.4	175.4	0	0	0	111.3	I962 M964 I1167 L1226 H1227 S1232 L1233	I962-L1230 HydrophobicContact CD1-CD2 4.25Å; I962-L1230 HydrophobicContact CG2-CD2 3.8Å; M964-L1230 HydrophobicContact SD-CD1 4.16Å; I1167-L1230 HydrophobicContact CD1-CD2 4.21Å; L1226-L1230 WeakPolarHBondContact O-CG 3.17Å; L1226-L1230 PolarHBondContact O-N 2.71Å; H1227-L1230 PolarHBondContact O-N 3.15Å; L1230-S1232 VanDerWaalsContact C-N 3.31Å; L1230-S1232 PolarHBondContact O-N 2.66Å; L1230-L1233 WeakPolarHBondContact O-CB 3.44Å; L1230-L1233 PolarHBondContact O-N 3.14Å; L1230-L1233 VanDerWaalsContact O-N 3.16Å
1231	K	96.7	Very high	96.5	Very high	82 Å²	82	34.5 Å²	34.5	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-38.1	175.2	-73.8	-70.7	-67.5	-177.9	0	112.4	I1040 E1043 H1227 T1229 L1233 L1234	I1040-K1231 HydrophobicContact CD1-CD 3.49Å; I1040-K1231 VanDerWaalsContact CD1-CD 3.49Å; I1040-K1231 HydrophobicContact CD1-CG 4.14Å; E1043-K1231 IonicContact OE1-NZ 3.44Å; E1043-K1231 PolarHBondContact OE1-NZ 3.46Å; E1043-K1231 IonicContact OE2-NZ 3.26Å; E1043-K1231 PolarHBondContact OE2-NZ 3.15Å; H1227-K1231 PolarHBondContact O-N 2.67Å; T1229-K1231 VanDerWaalsContact C-N 3.34Å; T1229-K1231 PolarHBondContact O-N 3.36Å; K1231-L1233 PolarHBondContact O-N 2.7Å; K1231-L1234 WeakPolarHBondContact O-CB 3.49Å; K1231-L1234 PolarHBondContact O-N 3.4Å; K1231-L1234 VanDerWaalsContact O-N 3.14Å
1232	S	96.8	Very high	96.3	Very high	12 Å²	12	35 Å²	35	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-18.4	177.8	71.4	0	0	0	0	114.1	A1228 T1229 L1230 L1234 N1235 S1250	A1228-S1232 WeakPolarHBondContact O-CB 3.1Å; A1228-S1232 PolarHBondContact O-N 2.79Å; T1229-S1232 PolarHBondContact O-N 3.41Å; T1229-S1232 VanDerWaalsContact O-N 3.14Å; T1229-S1232 PolarHBondContact O-OG 3.18Å; L1230-S1232 VanDerWaalsContact C-N 3.31Å; L1230-S1232 PolarHBondContact O-N 2.66Å; S1232-L1234 PolarHBondContact O-N 3.42Å; S1232-N1235 CarbonylContact O-C 3.57Å; S1232-N1235 PolarHBondContact O-N 2.99Å; S1232-S1250 PolarHBondContact OG-OG 2.98Å
1233	L	96.5	Very high	95.9	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.9	173.2	-63.8	175.9	0	0	0	112.8	F956 L960 I962 V1165 T1229 L1230 K1231 F1252	F956-L1233 WeakPolarHBondContact CE2-O 3.48Å; F956-L1233 HydrophobicContact CZ-CD2 4.41Å; L960-L1233 HydrophobicContact CD1-CD2 4.42Å; I962-L1233 HydrophobicContact CD1-CD1 3.98Å; I962-L1233 HydrophobicContact CG1-CD1 4.02Å; V1165-L1233 HydrophobicContact CB-CD1 4.4Å; V1165-L1233 HydrophobicContact CG2-CD1 4.1Å; V1165-L1233 HydrophobicContact CG2-CD2 4.3Å; T1229-L1233 PolarHBondContact O-N 3.02Å; L1230-L1233 WeakPolarHBondContact O-CB 3.44Å; L1230-L1233 PolarHBondContact O-N 3.14Å; L1230-L1233 VanDerWaalsContact O-N 3.16Å; K1231-L1233 PolarHBondContact O-N 2.7Å; L1233-F1252 HydrophobicContact CD2-CE2 3.84Å; L1233-F1252 HydrophobicContact CD2-CZ 4.34Å
1234	L	93.7	Very high	95.5	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.115	22%	0.223	C	C	.	.	S	Bend	trans	-83.9	-22.4	177.3	-49.6	-176.7	0	0	0	112.2	I954 E1043 L1044 L1047 K1231 S1232	I954-L1234 PolarHBondContact N-O 2.73Å; E1043-L1234 HydrophobicContact CG-CD1 4.26Å; L1044-L1234 HydrophobicContact CD2-CD2 3.74Å; L1047-L1234 HydrophobicContact CD1-CD1 4.13Å; L1047-L1234 HydrophobicContact CD1-CD2 3.76Å; L1047-L1234 HydrophobicContact CD1-CG 4.42Å; K1231-L1234 WeakPolarHBondContact O-CB 3.49Å; K1231-L1234 PolarHBondContact O-N 3.4Å; K1231-L1234 VanDerWaalsContact O-N 3.14Å; S1232-L1234 PolarHBondContact O-N 3.42Å
1235	N	93.5	Very high	94.9	Very high	96 Å²	96	41.4 Å²	41.4	51%	0.513	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-146.1	97.9	176.5	-176.6	11.6	0	0	0	110.1	I954 S1232	I954-N1235 WeakPolarHBondContact CB-OD1 3.34Å; I954-N1235 WeakPolarHBondContact CG2-OD1 3.45Å; S1232-N1235 CarbonylContact O-C 3.57Å; S1232-N1235 PolarHBondContact O-N 2.99Å
1236	F	96.3	Very high	94.5	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.018	26%	0.258	C	S	.	.			trans	-121.2	142	-169.2	-159.6	-85.8	0	0	0	111.9	I954 G955 F956 F1202 F1206 A1209 P1238 F1252	I954-F1236 PolarHBondContact O-N 2.82Å; G955-F1236 VanDerWaalsContact CA-O 3.23Å; G955-F1236 WeakPolarHBondContact CA-O 3.41Å; F956-F1236 HydrophobicContact CD2-CB 4.25Å; F956-F1236 HydrophobicContact CE1-CD1 4.38Å; F956-F1236 HydrophobicContact CE1-CG 4.43Å; F956-F1236 HydrophobicContact CE2-CB 3.38Å; F956-F1236 HydrophobicContact CE2-CD1 4.48Å; F956-F1236 HydrophobicContact CE2-CD2 4.29Å; F956-F1236 AromaticContact CE2-CG 3.8Å; F956-F1236 HydrophobicContact CE2-CG 3.8Å; F956-F1236 HydrophobicContact CZ-CB 3.64Å; F956-F1236 AromaticContact CZ-CD1 3.85Å; F956-F1236 HydrophobicContact CZ-CD1 3.85Å; F956-F1236 AromaticContact CZ-CD2 3.91Å; F956-F1236 HydrophobicContact CZ-CD2 3.91Å; F956-F1236 AromaticContact CZ-CG 3.49Å; F956-F1236 HydrophobicContact CZ-CG 3.49Å; F956-F1236 VanDerWaalsContact CZ-CG 3.49Å; F1202-F1236 HydrophobicContact CE1-CZ 4.01Å; F1202-F1236 HydrophobicContact CZ-CE1 4.07Å; F1202-F1236 AromaticContact CZ-CE2 3.97Å; F1202-F1236 HydrophobicContact CZ-CE2 3.97Å; F1202-F1236 AromaticContact CZ-CZ 3.6Å; F1202-F1236 HydrophobicContact CZ-CZ 3.6Å; F1206-F1236 HydrophobicContact CB-CE1 3.94Å; F1206-F1236 HydrophobicContact CB-CZ 4.43Å; F1206-F1236 AromaticContact CD1-CD1 3.94Å; F1206-F1236 HydrophobicContact CD1-CD1 3.94Å; F1206-F1236 AromaticContact CD1-CE1 3.47Å; F1206-F1236 HydrophobicContact CD1-CE1 3.47Å; F1206-F1236 VanDerWaalsContact CD1-CE1 3.47Å; F1206-F1236 HydrophobicContact CD2-CD1 4.16Å; F1206-F1236 AromaticContact CD2-CE1 3.66Å; F1206-F1236 HydrophobicContact CD2-CE1 3.66Å; F1206-F1236 HydrophobicContact CD2-CZ 4.47Å; F1206-F1236 AromaticContact CE1-CD1 3.66Å; F1206-F1236 HydrophobicContact CE1-CD1 3.66Å; F1206-F1236 AromaticContact CE1-CE1 3.72Å; F1206-F1236 HydrophobicContact CE1-CE1 3.72Å; F1206-F1236 AromaticContact CE2-CD1 3.92Å; F1206-F1236 HydrophobicContact CE2-CD1 3.92Å; F1206-F1236 AromaticContact CE2-CE1 3.92Å; F1206-F1236 HydrophobicContact CE2-CE1 3.92Å; F1206-F1236 HydrophobicContact CG-CD1 4.15Å; F1206-F1236 AromaticContact CG-CE1 3.41Å; F1206-F1236 HydrophobicContact CG-CE1 3.41Å; F1206-F1236 VanDerWaalsContact CG-CE1 3.41Å; F1206-F1236 HydrophobicContact CG-CZ 4.29Å; F1206-F1236 AromaticContact CZ-CD1 3.65Å; F1206-F1236 HydrophobicContact CZ-CD1 3.65Å; F1206-F1236 AromaticContact CZ-CE1 3.93Å; F1206-F1236 HydrophobicContact CZ-CE1 3.93Å; A1209-F1236 HydrophobicContact CB-CE1 4.4Å; A1209-F1236 HydrophobicContact CB-CZ 3.75Å; F1236-P1238 HydrophobicContact CE2-CG 4.44Å; F1236-F1252 HydrophobicContact CD2-CD2 4.48Å; F1236-F1252 HydrophobicContact CE2-CB 4.08Å; F1236-F1252 HydrophobicContact CE2-CD1 4.4Å; F1236-F1252 AromaticContact CE2-CD2 3.55Å; F1236-F1252 HydrophobicContact CE2-CD2 3.55Å; F1236-F1252 AromaticContact CE2-CE2 4Å; F1236-F1252 HydrophobicContact CE2-CE2 4Å; F1236-F1252 AromaticContact CE2-CG 3.76Å; F1236-F1252 HydrophobicContact CE2-CG 3.76Å; F1236-F1252 HydrophobicContact CZ-CB 4.31Å; F1236-F1252 HydrophobicContact CZ-CD1 4.46Å; F1236-F1252 HydrophobicContact CZ-CD2 4.36Å; F1236-F1252 HydrophobicContact CZ-CG 4.14Å
1237	P	94	Very high	94.2	Very high	90 Å²	90	47.1 Å²	47.1	58%	0.584	27%	0.265	S	S	*	.	S	Bend	cis	-83.6	151.3	2.6	33.7	-34.9	0	0	0	114
1238	P	96.3	Very high	94	Very high	21 Å²	21	46.6 Å²	46.6	14%	0.136	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-69.9	168.4	167.2	31.8	-34.2	0	0	0	111.1	F1236 F1252	F1236-P1238 HydrophobicContact CE2-CG 4.44Å; P1238-F1252 HydrophobicContact CG-CB 3.72Å
1239	P	95.1	Very high	94	Very high	98 Å²	98	45.9 Å²	45.9	64%	0.636	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-51.9	145.5	174.7	-26.7	35.1	0	0	0	112.6	V1241 S1253	P1239-V1241 VanDerWaalsContact C-N 3.28Å; P1239-V1241 PolarHBondContact O-N 3.27Å; P1239-S1253 WeakPolarHBondContact O-CA 3.26Å; P1239-S1253 WeakPolarHBondContact O-CB 3.28Å; P1239-S1253 PolarHBondContact O-OG 3.03Å
1240	E	94.2	Very high	94	Very high	128 Å²	128	46 Å²	46	60%	0.598	26%	0.262	S	S	*	.	S	Bend	trans	-66.1	-29.1	-176.4	-66.4	-165.5	162.5	0	0	113.7	T1208 N1212 E1254	T1208-E1240 HydrophobicContact CG2-CG 4.3Å; N1212-E1240 PolarHBondContact ND2-O 2.83Å; N1212-E1240 VanDerWaalsContact ND2-O 3.08Å; E1240-E1254 PolarHBondContact O-N 3.38Å
1241	V	93.4	Very high	94	Very high	94 Å²	94	45.9 Å²	45.9	57%	0.57	26%	0.261	S	S	*	.	B	Isolated β-bridge	trans	-121.6	134.3	179.3	-177.8	0	0	0	0	109.4	P1239 P1256	P1239-V1241 VanDerWaalsContact C-N 3.28Å; P1239-V1241 PolarHBondContact O-N 3.27Å; V1241-P1256 HydrophobicContact CG1-CG 4.43Å
1242	G	92.5	Very high	94.1	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	25%	0.245	C	C	.	.			trans	-77.6	147.9	176.9	0	0	0	0	0	113.7	E1254 P1256	G1242-E1254 PolarHBondContact N-O 3.4Å; G1242-P1256 WeakPolarHBondContact O-CG 3.36Å
1243	D	89.2	Confident	94.2	Very high	80 Å²	80	41.8 Å²	41.8	43%	0.428	24%	0.242	S	C	.	.			trans	-91.2	123.9	174.9	179.8	4.6	0	0	0	111.2	S1245 N1246	D1243-S1245 PolarHBondContact O-N 2.91Å; D1243-S1245 WeakPolarHBondContact OD1-CB 3.44Å; D1243-S1245 PolarHBondContact OD1-N 2.97Å; D1243-S1245 PolarHBondContact OD1-OG 3.49Å; D1243-S1245 PolarHBondContact OD2-OG 3.23Å; D1243-N1246 WeakPolarHBondContact O-CB 3.49Å; D1243-N1246 PolarHBondContact O-N 2.66Å; D1243-N1246 VanDerWaalsContact O-N 3.07Å
1244	L	89.2	Confident	94.3	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.089	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12.5	177.6	-67.6	-179	0	0	0	114	N1246 P1256 R1259 N1263	L1244-N1246 PolarHBondContact O-N 3.05Å; L1244-P1256 HydrophobicContact CD1-CB 4.22Å; L1244-P1256 HydrophobicContact CD2-CB 4Å; L1244-P1256 HydrophobicContact CD2-CG 3.93Å; L1244-P1256 HydrophobicContact CG-CB 4.14Å; L1244-P1256 HydrophobicContact CG-CG 3.97Å; L1244-R1259 HydrophobicContact CD2-CB 3.69Å; L1244-R1259 HydrophobicContact CD2-CG 3.88Å; L1244-N1263 HydrophobicContact CD2-CB 4.31Å
1245	S	85.5	Confident	94.4	Very high	44 Å²	44	42.8 Å²	42.8	31%	0.308	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.4	170	86.3	0	0	0	0	112.1	K829 D1243	K829-S1245 WeakPolarHBondContact CD-O 3.34Å; D1243-S1245 PolarHBondContact O-N 2.91Å; D1243-S1245 WeakPolarHBondContact OD1-CB 3.44Å; D1243-S1245 PolarHBondContact OD1-N 2.97Å; D1243-S1245 PolarHBondContact OD1-OG 3.49Å; D1243-S1245 PolarHBondContact OD2-OG 3.23Å
1246	N	91.4	Very high	94.3	Very high	84 Å²	84	39.5 Å²	39.5	45%	0.449	23%	0.23	S	C	.	.	S	Bend	trans	-92	127.4	178.9	-67	-44.8	0	0	0	110.9	D1243 L1244 G1248	D1243-N1246 WeakPolarHBondContact O-CB 3.49Å; D1243-N1246 PolarHBondContact O-N 2.66Å; D1243-N1246 VanDerWaalsContact O-N 3.07Å; L1244-N1246 PolarHBondContact O-N 3.05Å; N1246-G1248 VanDerWaalsContact C-N 3.26Å; N1246-G1248 PolarHBondContact O-N 3.25Å
1247	R	91	Very high	93.7	Very high	38 Å²	38	42 Å²	42	14%	0.143	25%	0.252	C	S	.	.	S	Bend	trans	-67.2	-28.9	176.7	69.1	174.1	175.6	-156	-1.2	112.9	G1015 E1020 F1224 R1259 D1265	G1015-R1247 PolarHBondContact O-NH2 2.68Å; E1020-R1247 IonicContact OE1-CZ 2.87Å; E1020-R1247 IonicContact OE1-NH1 3.66Å; E1020-R1247 PolarHBondContact OE1-NH1 3.12Å; E1020-R1247 IonicContact OE1-NH2 3.64Å; E1020-R1247 PolarHBondContact OE1-NH2 3.16Å; E1020-R1247 IonicContact OE2-CZ 2.85Å; E1020-R1247 IonicContact OE2-NH1 3.72Å; E1020-R1247 PolarHBondContact OE2-NH1 3.22Å; E1020-R1247 IonicContact OE2-NH2 2.85Å; E1020-R1247 PolarHBondContact OE2-NH2 2.98Å; F1224-R1247 HydrophobicContact CB-CG 4.29Å; F1224-R1247 HydrophobicContact CD1-CG 4.36Å; F1224-R1247 HydrophobicContact CD2-CG 4.36Å; F1224-R1247 VanDerWaalsContact CE1-NE 3.34Å; F1224-R1247 HydrophobicContact CG-CG 4.1Å; R1247-R1259 PolarHBondContact O-NH2 3.2Å; R1247-D1265 HydrophobicContact CB-CB 3.77Å; R1247-D1265 WeakPolarHBondContact CD-OD2 3.5Å; R1247-D1265 IonicContact NH1-OD2 3.11Å; R1247-D1265 PolarHBondContact NH1-OD2 3.14Å; R1247-D1265 VanDerWaalsContact NH1-OD2 3.16Å
1248	G	95.1	Very high	93.2	Very high	20 Å²	20	40 Å²	40	21%	0.206	24%	0.24	C	C	.	.			trans	-114.3	123.7	176.6	0	0	0	0	0	110.2	D1225 N1246	D1225-G1248 WeakPolarHBondContact OD1-CA 3.33Å; N1246-G1248 VanDerWaalsContact C-N 3.26Å; N1246-G1248 PolarHBondContact O-N 3.25Å
1249	I	97.8	Very high	92.9	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	23%	0.234	C	C	.	.			trans	-119.1	131.9	176.8	-63.3	171.4	0	0	0	107.1	D1225 L1251 I1255	D1225-I1249 WeakPolarHBondContact CA-O 3.38Å; D1225-I1249 VanDerWaalsContact CB-O 3.3Å; D1225-I1249 WeakPolarHBondContact CB-O 3.42Å; D1225-I1249 PolarHBondContact OD1-N 3.32Å; I1249-L1251 PolarHBondContact O-N 3.33Å; I1249-I1255 HydrophobicContact CB-CG1 4.09Å; I1249-I1255 HydrophobicContact CG2-CG1 3.72Å
1250	S	98.3	Very high	92.4	Very high	9 Å²	9	36 Å²	36	6%	0.063	21%	0.211	C	C	.	.			trans	-58.1	135.8	175.3	177.6	0	0	0	0	110.1	S1232 F1252 S1253	S1232-S1250 PolarHBondContact OG-OG 2.98Å; S1250-F1252 PolarHBondContact O-N 3.02Å; S1250-F1252 VanDerWaalsContact O-N 3.1Å; S1250-F1252 PolarHBondContact OG-N 3.07Å; S1250-S1253 WeakPolarHBondContact O-CB 3.46Å; S1250-S1253 PolarHBondContact O-N 3.42Å
1251	L	98.4	Very high	92	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.1	178.3	-64.7	170.5	0	0	0	112.7	L995 I1196 L1213 N1216 T1221 D1225 L1226 T1229 I1249 I1255	L995-L1251 HydrophobicContact CD1-CD1 3.66Å; L995-L1251 HydrophobicContact CD1-CD2 4.31Å; L995-L1251 HydrophobicContact CD2-CD1 4.35Å; L995-L1251 HydrophobicContact CD2-CD2 4.35Å; I1196-L1251 HydrophobicContact CD1-CD1 3.32Å; L1213-L1251 VanDerWaalsContact CA-O 3.24Å; L1213-L1251 WeakPolarHBondContact CA-O 3.41Å; L1213-L1251 HydrophobicContact CD1-CB 3.93Å; L1213-L1251 PolarHBondContact N-O 3.39Å; N1216-L1251 HydrophobicContact CB-CD2 4.31Å; N1216-L1251 PolarHBondContact ND2-O 3.16Å; T1221-L1251 HydrophobicContact CG2-CD2 3.41Å; T1221-L1251 VanDerWaalsContact CG2-CD2 3.41Å; D1225-L1251 HydrophobicContact CB-CD2 4.23Å; D1225-L1251 HydrophobicContact CB-CG 4.43Å; L1226-L1251 HydrophobicContact CD2-CD1 3.79Å; T1229-L1251 HydrophobicContact CG2-CB 4.29Å; T1229-L1251 WeakPolarHBondContact OG1-CB 3.47Å; T1229-L1251 VanDerWaalsContact OG1-CG 3.31Å; T1229-L1251 WeakPolarHBondContact OG1-CG 3.48Å; T1229-L1251 PolarHBondContact OG1-N 2.82Å; I1249-L1251 PolarHBondContact O-N 3.33Å; L1251-I1255 HydrophobicContact CD2-CD1 4.03Å
1252	F	98.4	Very high	91.4	Very high	4 Å²	4	29 Å²	29	2%	0.018	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-12	170.8	-59.5	-60	0	0	0	113.4	L1198 F1202 A1209 N1212 L1213 T1229 L1233 F1236 P1238 S1250	L1198-F1252 HydrophobicContact CD1-CE1 4.12Å; L1198-F1252 HydrophobicContact CD2-CE1 4.04Å; L1198-F1252 HydrophobicContact CD2-CZ 3.96Å; F1202-F1252 HydrophobicContact CE1-CD1 4.4Å; F1202-F1252 AromaticContact CE1-CE1 3.94Å; F1202-F1252 HydrophobicContact CE1-CE1 3.94Å; F1202-F1252 HydrophobicContact CE1-CZ 4.42Å; F1202-F1252 HydrophobicContact CZ-CE1 4.07Å; F1202-F1252 HydrophobicContact CZ-CZ 4.11Å; A1209-F1252 HydrophobicContact CB-CB 3.95Å; A1209-F1252 HydrophobicContact CB-CD1 3.99Å; A1209-F1252 HydrophobicContact CB-CG 4.31Å; N1212-F1252 VanDerWaalsContact CB-O 3.27Å; N1212-F1252 WeakPolarHBondContact CB-O 3.12Å; N1212-F1252 PolarHBondContact ND2-O 3.18Å; L1213-F1252 HydrophobicContact CD2-CE1 4.44Å; T1229-F1252 HydrophobicContact CG2-CD2 3.78Å; T1229-F1252 HydrophobicContact CG2-CE2 3.45Å; T1229-F1252 VanDerWaalsContact CG2-CE2 3.45Å; T1229-F1252 HydrophobicContact CG2-CZ 4.2Å; L1233-F1252 HydrophobicContact CD2-CE2 3.84Å; L1233-F1252 HydrophobicContact CD2-CZ 4.34Å; F1236-F1252 HydrophobicContact CD2-CD2 4.48Å; F1236-F1252 HydrophobicContact CE2-CB 4.08Å; F1236-F1252 HydrophobicContact CE2-CD1 4.4Å; F1236-F1252 AromaticContact CE2-CD2 3.55Å; F1236-F1252 HydrophobicContact CE2-CD2 3.55Å; F1236-F1252 AromaticContact CE2-CE2 4Å; F1236-F1252 HydrophobicContact CE2-CE2 4Å; F1236-F1252 AromaticContact CE2-CG 3.76Å; F1236-F1252 HydrophobicContact CE2-CG 3.76Å; F1236-F1252 HydrophobicContact CZ-CB 4.31Å; F1236-F1252 HydrophobicContact CZ-CD1 4.46Å; F1236-F1252 HydrophobicContact CZ-CD2 4.36Å; F1236-F1252 HydrophobicContact CZ-CG 4.14Å; P1238-F1252 HydrophobicContact CG-CB 3.72Å; S1250-F1252 PolarHBondContact O-N 3.02Å; S1250-F1252 VanDerWaalsContact O-N 3.1Å; S1250-F1252 PolarHBondContact OG-N 3.07Å
1253	S	98.4	Very high	91.1	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.035	18%	0.181	C	C	.	.	S	Bend	trans	-95.1	139	169.5	-56.1	0	0	0	0	109.7	N1216 P1239 S1250 I1255	N1216-S1253 PolarHBondContact ND2-O 3.21Å; P1239-S1253 WeakPolarHBondContact O-CA 3.26Å; P1239-S1253 WeakPolarHBondContact O-CB 3.28Å; P1239-S1253 PolarHBondContact O-OG 3.03Å; S1250-S1253 WeakPolarHBondContact O-CB 3.46Å; S1250-S1253 PolarHBondContact O-N 3.42Å; S1253-I1255 PolarHBondContact O-N 3.32Å; S1253-I1255 VanDerWaalsContact O-N 3.12Å
1254	E	97.9	Very high	91.2	Very high	49 Å²	49	24.9 Å²	24.9	23%	0.229	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-63.4	117.1	175.5	-177.7	163.5	-173.5	0	0	110.2	N1212 K1215 E1240 G1242 P1256	N1212-E1254 PolarHBondContact ND2-N 3.25Å; K1215-E1254 HydrophobicContact CD-CG 4.24Å; K1215-E1254 WeakPolarHBondContact CD-OE1 3.24Å; K1215-E1254 IonicContact NZ-OE1 2.77Å; K1215-E1254 PolarHBondContact NZ-OE1 3.03Å; K1215-E1254 IonicContact NZ-OE2 3.37Å; K1215-E1254 PolarHBondContact NZ-OE2 3.08Å; E1240-E1254 PolarHBondContact O-N 3.38Å; G1242-E1254 PolarHBondContact N-O 3.4Å; E1254-P1256 WeakPolarHBondContact O-CD 3.21Å
1255	I	97.1	Very high	91	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-75	123.1	174.6	-67.1	170	0	0	0	108	N1216 R1219 T1221 I1249 L1251 S1253 A1257 R1259	N1216-I1255 HydrophobicContact CB-CD1 4.21Å; N1216-I1255 WeakPolarHBondContact OD1-CB 3.4Å; N1216-I1255 PolarHBondContact OD1-N 2.96Å; R1219-I1255 HydrophobicContact CB-CB 4.33Å; R1219-I1255 HydrophobicContact CB-CG2 4.28Å; T1221-I1255 HydrophobicContact CG2-CD1 3.54Å; I1249-I1255 HydrophobicContact CB-CG1 4.09Å; I1249-I1255 HydrophobicContact CG2-CG1 3.72Å; L1251-I1255 HydrophobicContact CD2-CD1 4.03Å; S1253-I1255 PolarHBondContact O-N 3.32Å; S1253-I1255 VanDerWaalsContact O-N 3.12Å; I1255-A1257 PolarHBondContact O-N 3Å; I1255-R1259 HydrophobicContact CG2-CB 4.05Å; I1255-R1259 VanDerWaalsContact CG2-CD 3.45Å; I1255-R1259 HydrophobicContact CG2-CG 4.4Å
1256	P	90.9	Very high	90.9	Very high	26 Å²	26	25 Å²	25	17%	0.169	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-56.7	139.5	-178.1	-27.7	36.4	0	0	0	112.7	V1241 G1242 L1244 E1254 S1258 R1259	V1241-P1256 HydrophobicContact CG1-CG 4.43Å; G1242-P1256 WeakPolarHBondContact O-CG 3.36Å; L1244-P1256 HydrophobicContact CD1-CB 4.22Å; L1244-P1256 HydrophobicContact CD2-CB 4Å; L1244-P1256 HydrophobicContact CD2-CG 3.93Å; L1244-P1256 HydrophobicContact CG-CB 4.14Å; L1244-P1256 HydrophobicContact CG-CG 3.97Å; E1254-P1256 WeakPolarHBondContact O-CD 3.21Å; P1256-S1258 PolarHBondContact O-N 2.92Å; P1256-S1258 VanDerWaalsContact O-N 3.13Å; P1256-R1259 WeakPolarHBondContact O-CB 3.49Å; P1256-R1259 PolarHBondContact O-N 2.8Å
1257	A	84.5	Confident	90.2	Very high	57 Å²	57	22.5 Å²	22.5	47%	0.471	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28	179.2	0	0	0	0	0	113.9	R1219 I1255 R1259	R1219-A1257 VanDerWaalsContact CZ-CB 3.44Å; R1219-A1257 VanDerWaalsContact NH1-CA 3.26Å; I1255-A1257 PolarHBondContact O-N 3Å; A1257-R1259 VanDerWaalsContact C-N 3.27Å; A1257-R1259 PolarHBondContact O-N 3.18Å
1258	S	83.7	Confident	89.5	Confident	49 Å²	49	22.8 Å²	22.8	34%	0.343	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.3	178.3	45.8	0	0	0	0	113.7	G833 A834 G835 P1256 D1260	G833-S1258 CarbonylContact C-O 3.53Å; G833-S1258 WeakPolarHBondContact CA-O 3.47Å; G833-S1258 WeakPolarHBondContact O-CB 3.4Å; A834-S1258 PolarHBondContact N-O 2.97Å; G835-S1258 WeakPolarHBondContact CA-O 3.22Å; G835-S1258 PolarHBondContact N-O 3.16Å; P1256-S1258 PolarHBondContact O-N 2.92Å; P1256-S1258 VanDerWaalsContact O-N 3.13Å; S1258-D1260 PolarHBondContact O-N 3.21Å
1259	R	90	Very high	88.8	Confident	5 Å²	5	22 Å²	22	2%	0.019	15%	0.146	C	C	.	.			trans	-59.9	124.2	178.6	-168.6	178.7	-176.1	-167.7	12.1	111.4	G835 C836 L1220 D1225 L1244 R1247 I1255 P1256 A1257 N1263	G835-R1259 CarbonylContact C-O 3.58Å; G835-R1259 WeakPolarHBondContact CA-O 3.46Å; C836-R1259 PolarHBondContact N-O 3.31Å; C836-R1259 VanDerWaalsContact N-O 3.1Å; L1220-R1259 PolarHBondContact O-NH1 3.03Å; D1225-R1259 VanDerWaalsContact CG-NH2 3.31Å; D1225-R1259 IonicContact OD1-CZ 2.93Å; D1225-R1259 IonicContact OD1-NH1 2.64Å; D1225-R1259 PolarHBondContact OD1-NH1 3.28Å; D1225-R1259 IonicContact OD1-NH2 3.2Å; D1225-R1259 PolarHBondContact OD1-NH2 3.43Å; D1225-R1259 IonicContact OD2-CZ 3.39Å; D1225-R1259 IonicContact OD2-NH1 3Å; D1225-R1259 PolarHBondContact OD2-NH1 2.9Å; D1225-R1259 IonicContact OD2-NH2 3.92Å; D1225-R1259 PolarHBondContact OD2-NH2 3.49Å; L1244-R1259 HydrophobicContact CD2-CB 3.69Å; L1244-R1259 HydrophobicContact CD2-CG 3.88Å; R1247-R1259 PolarHBondContact O-NH2 3.2Å; I1255-R1259 HydrophobicContact CG2-CB 4.05Å; I1255-R1259 VanDerWaalsContact CG2-CD 3.45Å; I1255-R1259 HydrophobicContact CG2-CG 4.4Å; P1256-R1259 WeakPolarHBondContact O-CB 3.49Å; P1256-R1259 PolarHBondContact O-N 2.8Å; A1257-R1259 VanDerWaalsContact C-N 3.27Å; A1257-R1259 PolarHBondContact O-N 3.18Å; R1259-N1263 WeakPolarHBondContact CA-OD1 3.5Å; R1259-N1263 HydrophobicContact CG-CB 4.07Å
1260	D	84.3	Confident	88.1	Confident	29 Å²	29	22.2 Å²	22.2	16%	0.155	15%	0.146	C	C	.	.			trans	-114.4	-179.9	172.5	65.7	32.2	0	0	0	112	G833 A834 L1220 S1258 A1262 N1263 A1264	G833-D1260 VanDerWaalsContact CA-OD2 3.26Å; G833-D1260 WeakPolarHBondContact CA-OD2 3.37Å; A834-D1260 PolarHBondContact N-OD2 3.04Å; L1220-D1260 VanDerWaalsContact CD2-C 3.44Å; L1220-D1260 WeakPolarHBondContact CD2-O 3.45Å; S1258-D1260 PolarHBondContact O-N 3.21Å; D1260-A1262 PolarHBondContact O-N 3.46Å; D1260-A1262 WeakPolarHBondContact OD1-CA 3.43Å; D1260-A1262 WeakPolarHBondContact OD1-CB 3.36Å; D1260-A1262 PolarHBondContact OD1-N 3.49Å; D1260-N1263 PolarHBondContact N-OD1 3.31Å; D1260-N1263 PolarHBondContact O-N 3.13Å; D1260-N1263 PolarHBondContact OD1-N 2.79Å; D1260-N1263 PolarHBondContact OD1-OD1 3.4Å; D1260-N1263 VanDerWaalsContact OD1-OD1 3.14Å; D1260-A1264 WeakPolarHBondContact O-CB 3.18Å; D1260-A1264 PolarHBondContact O-N 3.45Å
1261	C	86	Confident	87.5	Confident	11 Å²	11	22 Å²	22	7%	0.074	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.7	179.8	-74.9	0	0	0	0	113.4	A1264 D1265 I1266 C1271 C1273	C1261-A1264 CarbonylContact O-C 3.59Å; C1261-A1264 PolarHBondContact O-N 3.27Å; C1261-D1265 PolarHBondContact O-N 2.8Å; C1261-D1265 VanDerWaalsContact O-N 3.14Å; C1261-I1266 HydrophobicContact CB-CB 3.98Å; C1261-I1266 HydrophobicContact CB-CD1 4.45Å; C1261-I1266 PolarHBondContact O-N 3.48Å; C1261-C1271 HydrophobicContact CB-CB 3.71Å; C1261-C1271 WeakPolarHBondContact CB-SG 3.48Å; C1261-C1271 WeakPolarHBondContact SG-CB 3.29Å; C1261-C1271 CovalentContact SG-SG 2.01Å; C1261-C1271 PolarHBondContact SG-SG 3.4Å; C1261-C1273 PolarHBondContact SG-SG 3.21Å
1262	A	80.8	Confident	86.8	Confident	65 Å²	65	22.3 Å²	22.3	54%	0.537	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-41.4	178.3	0	0	0	0	0	111	D1260 A1264 D1265	D1260-A1262 PolarHBondContact O-N 3.46Å; D1260-A1262 WeakPolarHBondContact OD1-CA 3.43Å; D1260-A1262 WeakPolarHBondContact OD1-CB 3.36Å; D1260-A1262 PolarHBondContact OD1-N 3.49Å; A1262-A1264 VanDerWaalsContact C-N 3.25Å; A1262-A1264 PolarHBondContact O-N 3.05Å; A1262-D1265 PolarHBondContact O-N 3.27Å
1263	N	85.6	Confident	85.9	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.021	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.6	172.7	-47.7	130.2	0	0	0	111.5	S830 G833 L1244 R1259 D1260 D1265	S830-N1263 PolarHBondContact O-ND2 3Å; G833-N1263 WeakPolarHBondContact CA-OD1 3.5Å; L1244-N1263 HydrophobicContact CD2-CB 4.31Å; R1259-N1263 WeakPolarHBondContact CA-OD1 3.5Å; R1259-N1263 HydrophobicContact CG-CB 4.07Å; D1260-N1263 PolarHBondContact N-OD1 3.31Å; D1260-N1263 PolarHBondContact O-N 3.13Å; D1260-N1263 PolarHBondContact OD1-N 2.79Å; D1260-N1263 PolarHBondContact OD1-OD1 3.4Å; D1260-N1263 VanDerWaalsContact OD1-OD1 3.14Å; N1263-D1265 PolarHBondContact O-N 3.42Å
1264	A	90.4	Very high	84.4	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.1	179	0	0	0	0	0	114.3	L1220 T1222 D1260 C1261 A1262 I1266	L1220-A1264 HydrophobicContact CD2-CB 3.91Å; L1220-A1264 HydrophobicContact CG-CB 4.4Å; T1222-A1264 HydrophobicContact CG2-CB 3.98Å; D1260-A1264 WeakPolarHBondContact O-CB 3.18Å; D1260-A1264 PolarHBondContact O-N 3.45Å; C1261-A1264 CarbonylContact O-C 3.59Å; C1261-A1264 PolarHBondContact O-N 3.27Å; A1262-A1264 VanDerWaalsContact C-N 3.25Å; A1262-A1264 PolarHBondContact O-N 3.05Å; A1264-I1266 VanDerWaalsContact C-N 3.27Å; A1264-I1266 HydrophobicContact CB-CD1 3.77Å; A1264-I1266 HydrophobicContact CB-CG1 3.84Å; A1264-I1266 PolarHBondContact O-N 3.08Å
1265	D	85.1	Confident	82.9	Confident	56 Å²	56	28.1 Å²	28.1	30%	0.299	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	35.4	-178.9	-156.8	21.8	0	0	0	113.6	R1247 C1261 A1262 N1263	R1247-D1265 HydrophobicContact CB-CB 3.77Å; R1247-D1265 WeakPolarHBondContact CD-OD2 3.5Å; R1247-D1265 IonicContact NH1-OD2 3.11Å; R1247-D1265 PolarHBondContact NH1-OD2 3.14Å; R1247-D1265 VanDerWaalsContact NH1-OD2 3.16Å; C1261-D1265 PolarHBondContact O-N 2.8Å; C1261-D1265 VanDerWaalsContact O-N 3.14Å; A1262-D1265 PolarHBondContact O-N 3.27Å; N1263-D1265 PolarHBondContact O-N 3.42Å
1266	I	84.7	Confident	81.7	Confident	8 Å²	8	30.6 Å²	30.6	4%	0.041	20%	0.198	C	C	.	.			trans	-97.9	118.7	178.1	-51	170.6	0	0	0	108.7	N999 V1001 L1220 T1222 C1261 A1264 W1270 C1271	N999-I1266 HydrophobicContact CB-CD1 4Å; V1001-I1266 HydrophobicContact CG1-CG1 4.2Å; L1220-I1266 HydrophobicContact CD1-CD1 3.88Å; L1220-I1266 HydrophobicContact CD2-CD1 4.1Å; L1220-I1266 HydrophobicContact CG-CD1 4.27Å; T1222-I1266 HydrophobicContact CG2-CD1 3.68Å; T1222-I1266 HydrophobicContact CG2-CG1 3.94Å; C1261-I1266 HydrophobicContact CB-CB 3.98Å; C1261-I1266 HydrophobicContact CB-CD1 4.45Å; C1261-I1266 PolarHBondContact O-N 3.48Å; A1264-I1266 VanDerWaalsContact C-N 3.27Å; A1264-I1266 HydrophobicContact CB-CD1 3.77Å; A1264-I1266 HydrophobicContact CB-CG1 3.84Å; A1264-I1266 PolarHBondContact O-N 3.08Å; I1266-W1270 HydrophobicContact CG2-CB 3.85Å; I1266-C1271 HydrophobicContact CG2-CB 4.14Å
1267	A	75.8	Confident	81	Confident	30 Å²	30	34 Å²	34	25%	0.248	21%	0.21	C	C	.	.			trans	-60.1	147	175.6	0	0	0	0	0	111.2	H1269 W1270 C1271	A1267-H1269 PolarHBondContact O-N 3.1Å; A1267-W1270 PolarHBondContact O-N 2.92Å; A1267-C1271 PolarHBondContact O-N 3.36Å; A1267-C1271 VanDerWaalsContact O-N 3.08Å
1268	P	76.1	Confident	80.9	Confident	45 Å²	45	35.5 Å²	35.5	29%	0.292	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.8	179.8	-31.3	38.2	0	0	0	114.6	W1270 L1274 T1371 L1373	P1268-W1270 VanDerWaalsContact C-N 3.3Å; P1268-W1270 PolarHBondContact O-N 3.47Å; P1268-L1274 HydrophobicContact CB-CD1 4.08Å; P1268-L1274 WeakPolarHBondContact O-CD1 3.29Å; P1268-T1371 HydrophobicContact CB-CG2 4.32Å; P1268-L1373 HydrophobicContact CB-CD2 4.29Å; P1268-L1373 HydrophobicContact CG-CD1 4.23Å; P1268-L1373 HydrophobicContact CG-CD2 4Å; P1268-L1373 HydrophobicContact CG-CG 4.49Å
1269	H	80.3	Confident	80.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.009	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.1	175.1	-168.7	78.3	0	0	0	113.7	R1190 A1267 E1369 T1371 S1387 S1389	R1190-H1269 PolarHBondContact NE-O 2.77Å; R1190-H1269 VanDerWaalsContact NE-O 3.1Å; R1190-H1269 PolarHBondContact NH2-O 3.16Å; A1267-H1269 PolarHBondContact O-N 3.1Å; H1269-E1369 PolarHBondContact CE1-O 3.36Å; H1269-T1371 WeakPolarHBondContact ND1-CB 3.47Å; H1269-T1371 PolarHBondContact ND1-OG1 3.38Å; H1269-S1387 PolarHBondContact CD2-O 2.83Å; H1269-S1387 PolarHBondContact CE1-O 2.69Å; H1269-S1387 PolarHBondContact ND1-O 3.48Å; H1269-S1387 PolarHBondContact NE2-O 2.9Å; H1269-S1389 PolarHBondContact NE2-OG 3.42Å
1270	W	83	Confident	80.4	Confident	12 Å²	12	36.8 Å²	36.8	5%	0.045	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-12.3	-176.6	-56.3	118.9	0	0	0	113.1	N999 I1000 D1003 I1266 A1267 P1268 S1272 S1389	N999-W1270 PolarHBondContact ND2-O 2.95Å; I1000-W1270 HydrophobicContact CD1-CE3 3.65Å; I1000-W1270 HydrophobicContact CD1-CZ3 3.99Å; I1000-W1270 HydrophobicContact CG1-CE3 4.18Å; D1003-W1270 HydrophobicContact CB-CH2 3.48Å; D1003-W1270 VanDerWaalsContact CB-CH2 3.48Å; D1003-W1270 HydrophobicContact CB-CZ2 3.53Å; I1266-W1270 HydrophobicContact CG2-CB 3.85Å; A1267-W1270 PolarHBondContact O-N 2.92Å; P1268-W1270 VanDerWaalsContact C-N 3.3Å; P1268-W1270 PolarHBondContact O-N 3.47Å; W1270-S1272 PolarHBondContact O-N 3.49Å; W1270-S1389 WeakPolarHBondContact CH2-OG 3.46Å
1271	C	85.8	Confident	80.3	Confident	4 Å²	4	38 Å²	38	3%	0.027	22%	0.221	C	C	.	.			trans	-71.6	111.7	-176.4	-179.5	0	0	0	0	112.9	C1261 I1266 A1267 C1273 L1274	C1261-C1271 HydrophobicContact CB-CB 3.71Å; C1261-C1271 WeakPolarHBondContact CB-SG 3.48Å; C1261-C1271 WeakPolarHBondContact SG-CB 3.29Å; C1261-C1271 CovalentContact SG-SG 2.01Å; C1261-C1271 PolarHBondContact SG-SG 3.4Å; I1266-C1271 HydrophobicContact CG2-CB 4.14Å; A1267-C1271 PolarHBondContact O-N 3.36Å; A1267-C1271 VanDerWaalsContact O-N 3.08Å; C1271-C1273 VanDerWaalsContact C-N 3.25Å; C1271-C1273 PolarHBondContact O-N 2.95Å; C1271-L1274 HydrophobicContact CB-CD1 4.1Å; C1271-L1274 HydrophobicContact CB-CG 4.06Å
1272	S	84.2	Confident	80.1	Confident	7 Å²	7	43 Å²	43	5%	0.049	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.4	174.8	-50.3	0	0	0	0	113.7	N999 R1190 N1191 W1270 L1274	N999-S1272 WeakPolarHBondContact OD1-CB 3.45Å; N999-S1272 PolarHBondContact OD1-N 3.21Å; N999-S1272 PolarHBondContact OD1-OG 2.66Å; R1190-S1272 WeakPolarHBondContact CB-OG 3.49Å; N1191-S1272 PolarHBondContact ND2-OG 2.96Å; W1270-S1272 PolarHBondContact O-N 3.49Å; S1272-L1274 VanDerWaalsContact C-N 3.26Å; S1272-L1274 PolarHBondContact O-N 2.7Å
1273	C	78.5	Confident	80.1	Confident	28 Å²	28	41.1 Å²	41.1	19%	0.189	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.9	179.3	-48.1	0	0	0	0	113.1	C836 C1261 C1271	C836-C1273 HydrophobicContact CB-CB 3.88Å; C836-C1273 WeakPolarHBondContact CB-SG 3.26Å; C836-C1273 WeakPolarHBondContact SG-CB 3.3Å; C836-C1273 CovalentContact SG-SG 2.02Å; C836-C1273 PolarHBondContact SG-SG 3.14Å; C1261-C1273 PolarHBondContact SG-SG 3.21Å; C1271-C1273 VanDerWaalsContact C-N 3.25Å; C1271-C1273 PolarHBondContact O-N 2.95Å
1274	L	68.8	Low	80	Confident	55 Å²	55	43.7 Å²	43.7	29%	0.288	25%	0.245	S	C	.	.			trans	-78.8	137	-176.6	-66	179.7	0	0	0	112.2	P1268 C1271 S1272 W1276	P1268-L1274 HydrophobicContact CB-CD1 4.08Å; P1268-L1274 WeakPolarHBondContact O-CD1 3.29Å; C1271-L1274 HydrophobicContact CB-CD1 4.1Å; C1271-L1274 HydrophobicContact CB-CG 4.06Å; S1272-L1274 VanDerWaalsContact C-N 3.26Å; S1272-L1274 PolarHBondContact O-N 2.7Å; L1274-W1276 HydrophobicContact CB-CZ2 4.18Å; L1274-W1276 HydrophobicContact CD1-CH2 4.18Å; L1274-W1276 HydrophobicContact CD1-CZ2 3.61Å
1275	S	66.3	Low	79.8	Confident	98 Å²	98	46 Å²	46	69%	0.685	26%	0.256	S	S	*	.			trans	-94.7	120.1	171.2	-172.2	0	0	0	0	110.1	S1322	S1275-S1322 WeakPolarHBondContact O-CA 3.4Å; S1275-S1322 VanDerWaalsContact O-CB 3.29Å; S1275-S1322 WeakPolarHBondContact O-CB 3.29Å; S1275-S1322 PolarHBondContact O-OG 2.74Å
1276	W	71.9	Confident	80.1	Confident	52 Å²	52	43.3 Å²	43.3	20%	0.197	24%	0.242	C	C	.	.			trans	-105.1	129.5	-175.1	-62.9	94.5	0	0	0	111.8	L1274 Y1320 S1354 R1356 T1371	L1274-W1276 HydrophobicContact CB-CZ2 4.18Å; L1274-W1276 HydrophobicContact CD1-CH2 4.18Å; L1274-W1276 HydrophobicContact CD1-CZ2 3.61Å; W1276-Y1320 HydrophobicContact CB-CD1 4.11Å; W1276-Y1320 HydrophobicContact CB-CG 4.4Å; W1276-S1354 WeakPolarHBondContact CZ3-O 3.13Å; W1276-R1356 HydrophobicContact CE3-CB 3.86Å; W1276-R1356 HydrophobicContact CH2-CB 3.94Å; W1276-R1356 HydrophobicContact CZ3-CB 3.53Å; W1276-T1371 HydrophobicContact CH2-CG2 3.74Å
1277	K	75.9	Confident	80.4	Confident	96 Å²	96	44 Å²	44	42%	0.417	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.1	175.9	179	-177.7	176.6	-176	0	111	L1279 Y1320 V1321	K1277-L1279 PolarHBondContact O-N 3.14Å; K1277-Y1320 CarbonylContact O-C 3.52Å; K1277-Y1320 WeakPolarHBondContact O-CA 3.37Å; K1277-V1321 HydrophobicContact CB-CG1 4.13Å; K1277-V1321 PolarHBondContact N-O 2.97Å; K1277-V1321 PolarHBondContact O-N 2.91Å
1278	K	82.2	Confident	81.1	Confident	89 Å²	89	43.2 Å²	43.2	39%	0.387	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	123	-179.5	-167.8	173.6	176.9	179.9	0	111.9	K595 D644 A1319 Y1320	K595-K1278 WeakPolarHBondContact CE-O 3.42Å; K595-K1278 PolarHBondContact NZ-O 3Å; D644-K1278 IonicContact OD2-NZ 3.37Å; D644-K1278 PolarHBondContact OD2-NZ 2.64Å; K1278-A1319 CarbonylContact C-O 3.59Å; K1278-A1319 WeakPolarHBondContact CA-O 3.23Å; K1278-Y1320 HydrophobicContact CB-CD1 3.93Å; K1278-Y1320 HydrophobicContact CB-CE1 3.65Å; K1278-Y1320 HydrophobicContact CD-CE1 4.44Å; K1278-Y1320 HydrophobicContact CG-CD1 4.46Å; K1278-Y1320 HydrophobicContact CG-CE1 3.96Å
1279	L	80.8	Confident	82	Confident	30 Å²	30	41 Å²	41	16%	0.157	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	150.2	172.2	-65.2	178.1	0	0	0	110.6	K1277 I1285 A1319 V1321 Y1355	K1277-L1279 PolarHBondContact O-N 3.14Å; L1279-I1285 HydrophobicContact CD1-CG2 4.29Å; L1279-A1319 HydrophobicContact CB-CB 3.88Å; L1279-A1319 PolarHBondContact N-O 2.86Å; L1279-V1321 HydrophobicContact CD1-CB 4.01Å; L1279-V1321 HydrophobicContact CD1-CG1 4.24Å; L1279-V1321 HydrophobicContact CD2-CG1 3.88Å; L1279-V1321 HydrophobicContact CG-CB 4.32Å; L1279-V1321 HydrophobicContact CG-CG1 4.07Å; L1279-Y1355 HydrophobicContact CD1-CD1 3.73Å; L1279-Y1355 HydrophobicContact CD1-CE1 3.85Å
1280	P	81.3	Confident	82.7	Confident	51 Å²	51	41 Å²	41	33%	0.331	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-58.6	141.6	166	-16.9	31.3	0	0	0	110.6	D1282 A1283 S1286	P1280-D1282 VanDerWaalsContact C-N 3.26Å; P1280-D1282 WeakPolarHBondContact CB-OD1 3.36Å; P1280-D1282 PolarHBondContact O-N 2.69Å; P1280-A1283 HydrophobicContact CB-CB 4.17Å; P1280-A1283 HydrophobicContact CG-CB 4.37Å; P1280-A1283 WeakPolarHBondContact O-CB 3.19Å; P1280-A1283 PolarHBondContact O-N 3.4Å; P1280-S1286 PolarHBondContact O-OG 2.92Å
1281	T	83.5	Confident	83.1	Confident	56 Å²	56	41.5 Å²	41.5	34%	0.344	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.5	179.1	51.6	0	0	0	0	111.7	Q1287 I1316	T1281-Q1287 PolarHBondContact O-NE2 3.21Å; T1281-I1316 WeakPolarHBondContact CB-O 3.25Å; T1281-I1316 HydrophobicContact CG2-CB 4.35Å; T1281-I1316 HydrophobicContact CG2-CG2 3.95Å; T1281-I1316 VanDerWaalsContact CG2-O 3.31Å; T1281-I1316 WeakPolarHBondContact CG2-O 3.24Å; T1281-I1316 WeakPolarHBondContact O-CD1 3.45Å
1282	D	80.7	Confident	83.5	Confident	115 Å²	115	42.9 Å²	42.9	62%	0.615	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.3	174.5	66	-24.7	0	0	0	114	P1280 L1284	P1280-D1282 VanDerWaalsContact C-N 3.26Å; P1280-D1282 WeakPolarHBondContact CB-OD1 3.36Å; P1280-D1282 PolarHBondContact O-N 2.69Å; D1282-L1284 PolarHBondContact O-N 3.11Å
1283	A	82.2	Confident	84	Confident	25 Å²	25	42.6 Å²	42.6	21%	0.207	23%	0.229	C	C	.	.	S	Bend	trans	-60.5	139.3	177.5	0	0	0	0	0	110.9	P1280 I1285 S1286 Q1287	P1280-A1283 HydrophobicContact CB-CB 4.17Å; P1280-A1283 HydrophobicContact CG-CB 4.37Å; P1280-A1283 WeakPolarHBondContact O-CB 3.19Å; P1280-A1283 PolarHBondContact O-N 3.4Å; A1283-I1285 HydrophobicContact CB-CG2 4.47Å; A1283-I1285 PolarHBondContact O-N 3.45Å; A1283-I1285 VanDerWaalsContact O-N 3.13Å; A1283-S1286 WeakPolarHBondContact O-CA 3.35Å; A1283-S1286 WeakPolarHBondContact O-CB 3.23Å; A1283-S1286 PolarHBondContact O-N 2.74Å; A1283-Q1287 PolarHBondContact O-N 3.28Å
1284	L	82.3	Confident	84.8	Confident	59 Å²	59	41.8 Å²	41.8	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-51.7	-41.8	-176.7	-175.3	70.6	0	0	0	112.8	Q803 L804 L807 D1282 Q1287 F1288	Q803-L1284 HydrophobicContact CB-CD1 4.42Å; L804-L1284 HydrophobicContact CD2-CD1 3.79Å; L804-L1284 HydrophobicContact CD2-CG 4.36Å; L804-L1284 HydrophobicContact CG-CD1 3.71Å; L807-L1284 HydrophobicContact CD1-CD2 3.5Å; L807-L1284 VanDerWaalsContact CD1-CD2 3.5Å; D1282-L1284 PolarHBondContact O-N 3.11Å; L1284-Q1287 PolarHBondContact O-N 2.96Å; L1284-F1288 WeakPolarHBondContact O-CB 3.45Å; L1284-F1288 PolarHBondContact O-N 3.15Å
1285	I	87.2	Confident	86	Confident	47 Å²	47	44.3 Å²	44.3	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-68.6	-37.2	177.6	-169.7	60.3	0	0	0	112.6	L1279 A1283 F1288 I1289 Y1355	L1279-I1285 HydrophobicContact CD1-CG2 4.29Å; A1283-I1285 HydrophobicContact CB-CG2 4.47Å; A1283-I1285 PolarHBondContact O-N 3.45Å; A1283-I1285 VanDerWaalsContact O-N 3.13Å; I1285-F1288 HydrophobicContact CD1-CD1 4.07Å; I1285-F1288 PolarHBondContact O-N 2.98Å; I1285-I1289 HydrophobicContact CD1-CD1 4.07Å; I1285-I1289 HydrophobicContact CD1-CG1 4.23Å; I1285-I1289 HydrophobicContact CG1-CD1 3.82Å; I1285-I1289 HydrophobicContact CG1-CG1 4.39Å; I1285-I1289 WeakPolarHBondContact O-CB 3.12Å; I1285-I1289 VanDerWaalsContact O-CG1 3.22Å; I1285-I1289 WeakPolarHBondContact O-CG1 3.34Å; I1285-I1289 PolarHBondContact O-N 3.05Å; I1285-Y1355 HydrophobicContact CG1-CD1 4.5Å; I1285-Y1355 HydrophobicContact CG1-CE1 3.94Å; I1285-Y1355 HydrophobicContact CG2-CE1 4.4Å
1286	S	91.2	Very high	87.3	Confident	1 Å²	1	40 Å²	40	1%	0.007	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-44.8	175.8	-55.9	0	0	0	0	110.3	P1280 A1283 A1290 I1316 A1319 L1357	P1280-S1286 PolarHBondContact O-OG 2.92Å; A1283-S1286 WeakPolarHBondContact O-CA 3.35Å; A1283-S1286 WeakPolarHBondContact O-CB 3.23Å; A1283-S1286 PolarHBondContact O-N 2.74Å; S1286-A1290 VanDerWaalsContact O-CB 3.28Å; S1286-A1290 WeakPolarHBondContact O-CB 3.47Å; S1286-A1290 PolarHBondContact O-N 3.02Å; S1286-I1316 WeakPolarHBondContact O-CD1 3.31Å; S1286-A1319 WeakPolarHBondContact OG-CB 3.42Å; S1286-L1357 WeakPolarHBondContact O-CD2 3.09Å
1287	Q	91	Very high	88.4	Confident	23 Å²	23	37.5 Å²	37.5	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-47	176.5	-66.9	-67.9	-33.9	0	0	111.5	A800 L804 T1281 A1283 L1284 I1289 A1290 D1291 I1316	A800-Q1287 HydrophobicContact CB-CG 4.18Å; L804-Q1287 HydrophobicContact CD1-CB 4.1Å; T1281-Q1287 PolarHBondContact O-NE2 3.21Å; A1283-Q1287 PolarHBondContact O-N 3.28Å; L1284-Q1287 PolarHBondContact O-N 2.96Å; Q1287-I1289 PolarHBondContact O-N 3.46Å; Q1287-A1290 PolarHBondContact O-N 2.86Å; Q1287-D1291 WeakPolarHBondContact O-CB 3.38Å; Q1287-D1291 PolarHBondContact O-N 2.65Å; Q1287-I1316 HydrophobicContact CG-CD1 4.44Å
1288	F	90.7	Very high	89.3	Confident	12 Å²	12	35.2 Å²	35.2	5%	0.053	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-53	174.5	175.7	-112.5	0	0	0	111.9	L804 L811 P812 V814 L1284 I1285 A1290 D1291 E1292 L1381	L804-F1288 HydrophobicContact CD2-CB 3.74Å; L804-F1288 HydrophobicContact CD2-CD2 4.1Å; L804-F1288 HydrophobicContact CD2-CG 4.36Å; L811-F1288 HydrophobicContact CB-CE2 4.04Å; L811-F1288 HydrophobicContact CB-CZ 4.16Å; L811-F1288 HydrophobicContact CD1-CD2 3.68Å; L811-F1288 HydrophobicContact CD1-CE2 3.83Å; L811-F1288 HydrophobicContact CD1-CG 4.44Å; L811-F1288 HydrophobicContact CD2-CD2 4.25Å; L811-F1288 HydrophobicContact CD2-CG 4.24Å; L811-F1288 HydrophobicContact CG-CD2 4.37Å; L811-F1288 HydrophobicContact CG-CE2 4.36Å; P812-F1288 HydrophobicContact CG-CE1 3.62Å; P812-F1288 HydrophobicContact CG-CZ 4.1Å; V814-F1288 HydrophobicContact CG2-CZ 3.86Å; L1284-F1288 WeakPolarHBondContact O-CB 3.45Å; L1284-F1288 PolarHBondContact O-N 3.15Å; I1285-F1288 HydrophobicContact CD1-CD1 4.07Å; I1285-F1288 PolarHBondContact O-N 2.98Å; F1288-A1290 VanDerWaalsContact C-N 3.34Å; F1288-A1290 PolarHBondContact O-N 2.65Å; F1288-D1291 PolarHBondContact O-N 3.13Å; F1288-E1292 HydrophobicContact CD2-CG 3.99Å; F1288-E1292 HydrophobicContact CE1-CG 4.28Å; F1288-E1292 HydrophobicContact CE2-CG 3.62Å; F1288-E1292 HydrophobicContact CG-CG 4.5Å; F1288-E1292 HydrophobicContact CZ-CG 3.79Å; F1288-E1292 VanDerWaalsContact O-CG 3.31Å; F1288-E1292 WeakPolarHBondContact O-CG 3.2Å; F1288-E1292 PolarHBondContact O-N 2.89Å; F1288-L1381 HydrophobicContact CE1-CD2 3.94Å
1289	I	93.6	Very high	89.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-41	-178.8	-66.8	167.8	0	0	0	110.9	I1285 Q1287 E1292 L1293 Y1355 L1357 V1372 L1381	I1285-I1289 HydrophobicContact CD1-CD1 4.07Å; I1285-I1289 HydrophobicContact CD1-CG1 4.23Å; I1285-I1289 HydrophobicContact CG1-CD1 3.82Å; I1285-I1289 HydrophobicContact CG1-CG1 4.39Å; I1285-I1289 WeakPolarHBondContact O-CB 3.12Å; I1285-I1289 VanDerWaalsContact O-CG1 3.22Å; I1285-I1289 WeakPolarHBondContact O-CG1 3.34Å; I1285-I1289 PolarHBondContact O-N 3.05Å; Q1287-I1289 PolarHBondContact O-N 3.46Å; I1289-E1292 PolarHBondContact O-N 3.45Å; I1289-L1293 HydrophobicContact CG2-CD1 3.84Å; I1289-L1293 HydrophobicContact CG2-CG 4.14Å; I1289-L1293 VanDerWaalsContact O-CB 3.31Å; I1289-L1293 WeakPolarHBondContact O-CB 3.2Å; I1289-L1293 VanDerWaalsContact O-CG 3.23Å; I1289-L1293 WeakPolarHBondContact O-CG 3.26Å; I1289-L1293 PolarHBondContact O-N 2.99Å; I1289-Y1355 HydrophobicContact CD1-CD1 3.8Å; I1289-Y1355 HydrophobicContact CD1-CD2 3.87Å; I1289-Y1355 HydrophobicContact CD1-CE1 4.44Å; I1289-Y1355 HydrophobicContact CD1-CE2 4.5Å; I1289-Y1355 HydrophobicContact CD1-CG 3.48Å; I1289-Y1355 VanDerWaalsContact CD1-CG 3.48Å; I1289-L1357 HydrophobicContact CB-CD1 4.21Å; I1289-L1357 HydrophobicContact CB-CD2 4.01Å; I1289-L1357 HydrophobicContact CD1-CD1 4.35Å; I1289-L1357 HydrophobicContact CG2-CD1 3.65Å; I1289-L1357 HydrophobicContact CG2-CD2 3.85Å; I1289-L1357 HydrophobicContact CG2-CG 4.36Å; I1289-V1372 HydrophobicContact CD1-CG2 4Å; I1289-V1372 HydrophobicContact CG1-CG2 4.28Å; I1289-V1372 HydrophobicContact CG2-CG1 4.19Å; I1289-V1372 HydrophobicContact CG2-CG2 3.63Å; I1289-L1381 HydrophobicContact CD1-CD1 4.49Å; I1289-L1381 HydrophobicContact CG1-CD1 4.31Å; I1289-L1381 HydrophobicContact CG1-CD2 4.09Å
1290	A	94.6	Very high	90	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-42.4	178.1	0	0	0	0	0	112.4	S1286 Q1287 F1288 L1293 V1294 L1313 I1316 L1357 I1359	S1286-A1290 VanDerWaalsContact O-CB 3.28Å; S1286-A1290 WeakPolarHBondContact O-CB 3.47Å; S1286-A1290 PolarHBondContact O-N 3.02Å; Q1287-A1290 PolarHBondContact O-N 2.86Å; F1288-A1290 VanDerWaalsContact C-N 3.34Å; F1288-A1290 PolarHBondContact O-N 2.65Å; A1290-L1293 PolarHBondContact O-N 3.2Å; A1290-V1294 WeakPolarHBondContact O-CG2 3.37Å; A1290-V1294 PolarHBondContact O-N 3.29Å; A1290-L1313 HydrophobicContact CB-CD1 4.04Å; A1290-L1313 HydrophobicContact CB-CD2 3.62Å; A1290-I1316 HydrophobicContact CB-CD1 3.38Å; A1290-I1316 HydrophobicContact CB-CG1 3.65Å; A1290-L1357 HydrophobicContact CB-CD2 3.96Å; A1290-I1359 HydrophobicContact CB-CG2 4.06Å
1291	D	93.1	Very high	90.5	Very high	24 Å²	24	30.9 Å²	30.9	13%	0.128	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-44.1	175.1	-79.6	-18.7	0	0	0	111.2	Y797 Q1287 F1288 V1294 K1295	Y797-D1291 PolarHBondContact OH-OD1 3.26Å; Q1287-D1291 WeakPolarHBondContact O-CB 3.38Å; Q1287-D1291 PolarHBondContact O-N 2.65Å; F1288-D1291 PolarHBondContact O-N 3.13Å; D1291-V1294 PolarHBondContact O-N 3.13Å; D1291-K1295 WeakPolarHBondContact O-CB 3.26Å; D1291-K1295 VanDerWaalsContact O-CG 3.24Å; D1291-K1295 WeakPolarHBondContact O-CG 3.45Å; D1291-K1295 PolarHBondContact O-N 3.17Å
1292	E	94.1	Very high	90.8	Very high	32 Å²	32	35 Å²	35	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-34.1	177.7	-65.1	-55	136.4	0	0	112.6	V814 F1288 I1289 K1295 A1296 I1383	V814-E1292 HydrophobicContact CG2-CB 4.38Å; V814-E1292 HydrophobicContact CG2-CG 3.82Å; F1288-E1292 HydrophobicContact CD2-CG 3.99Å; F1288-E1292 HydrophobicContact CE1-CG 4.28Å; F1288-E1292 HydrophobicContact CE2-CG 3.62Å; F1288-E1292 HydrophobicContact CG-CG 4.5Å; F1288-E1292 HydrophobicContact CZ-CG 3.79Å; F1288-E1292 VanDerWaalsContact O-CG 3.31Å; F1288-E1292 WeakPolarHBondContact O-CG 3.2Å; F1288-E1292 PolarHBondContact O-N 2.89Å; I1289-E1292 PolarHBondContact O-N 3.45Å; E1292-K1295 PolarHBondContact O-N 2.87Å; E1292-K1295 IonicContact OE1-NZ 3.56Å; E1292-K1295 PolarHBondContact OE1-NZ 2.87Å; E1292-A1296 WeakPolarHBondContact O-CB 3.4Å; E1292-A1296 PolarHBondContact O-N 3.43Å; E1292-I1383 HydrophobicContact CB-CD1 4.01Å
1293	L	94.9	Very high	91	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-49.7	171.3	-79.6	169.6	0	0	0	111.2	I1289 A1290 K1295 A1296 F1297 L1357 I1359 A1370 V1372 I1383	I1289-L1293 HydrophobicContact CG2-CD1 3.84Å; I1289-L1293 HydrophobicContact CG2-CG 4.14Å; I1289-L1293 VanDerWaalsContact O-CB 3.31Å; I1289-L1293 WeakPolarHBondContact O-CB 3.2Å; I1289-L1293 VanDerWaalsContact O-CG 3.23Å; I1289-L1293 WeakPolarHBondContact O-CG 3.26Å; I1289-L1293 PolarHBondContact O-N 2.99Å; A1290-L1293 PolarHBondContact O-N 3.2Å; L1293-K1295 VanDerWaalsContact C-N 3.3Å; L1293-K1295 PolarHBondContact O-N 3.41Å; L1293-A1296 WeakPolarHBondContact O-CB 3.36Å; L1293-A1296 PolarHBondContact O-N 3.49Å; L1293-A1296 VanDerWaalsContact O-N 3.15Å; L1293-F1297 HydrophobicContact CB-CE1 4.39Å; L1293-F1297 HydrophobicContact CB-CZ 4.18Å; L1293-F1297 HydrophobicContact CD2-CE1 4.13Å; L1293-F1297 HydrophobicContact CD2-CZ 4.28Å; L1293-F1297 WeakPolarHBondContact O-CD1 3.42Å; L1293-F1297 WeakPolarHBondContact O-CG 3.39Å; L1293-F1297 PolarHBondContact O-N 3.47Å; L1293-L1357 HydrophobicContact CD1-CB 4.35Å; L1293-I1359 HydrophobicContact CB-CD1 4.27Å; L1293-I1359 HydrophobicContact CD1-CD1 4.49Å; L1293-A1370 HydrophobicContact CD1-CB 3.83Å; L1293-A1370 HydrophobicContact CD2-CB 3.64Å; L1293-A1370 HydrophobicContact CG-CB 4.41Å; L1293-V1372 HydrophobicContact CD2-CG1 3.82Å; L1293-V1372 HydrophobicContact CG-CG1 4.31Å; L1293-I1383 HydrophobicContact CD2-CG2 3.91Å
1294	V	95.5	Very high	91.3	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-35.6	178.5	174.1	0	0	0	0	111.3	A1290 D1291 F1297 N1298 L1311 L1313 I1359 T1361	A1290-V1294 WeakPolarHBondContact O-CG2 3.37Å; A1290-V1294 PolarHBondContact O-N 3.29Å; D1291-V1294 PolarHBondContact O-N 3.13Å; V1294-F1297 PolarHBondContact O-N 3.07Å; V1294-N1298 WeakPolarHBondContact O-CB 3.28Å; V1294-N1298 PolarHBondContact O-N 3.25Å; V1294-N1298 PolarHBondContact O-ND2 2.8Å; V1294-L1311 HydrophobicContact CG1-CB 4.41Å; V1294-L1311 VanDerWaalsContact CG1-O 3.32Å; V1294-L1311 WeakPolarHBondContact CG1-O 3.5Å; V1294-L1313 HydrophobicContact CG2-CB 3.99Å; V1294-L1313 HydrophobicContact CG2-CD1 4.22Å; V1294-I1359 HydrophobicContact CG2-CD1 3.91Å; V1294-T1361 HydrophobicContact CG2-CG2 4.02Å
1295	K	94	Very high	91.7	Very high	108 Å²	108	42 Å²	42	47%	0.47	21%	0.206	S	C	.	.	H	α-helix	trans	-62.4	-44.2	170.8	-73.5	170.8	-163.8	167.9	0	111.9	D1291 E1292 L1293 N1298 G1299	D1291-K1295 WeakPolarHBondContact O-CB 3.26Å; D1291-K1295 VanDerWaalsContact O-CG 3.24Å; D1291-K1295 WeakPolarHBondContact O-CG 3.45Å; D1291-K1295 PolarHBondContact O-N 3.17Å; E1292-K1295 PolarHBondContact O-N 2.87Å; E1292-K1295 IonicContact OE1-NZ 3.56Å; E1292-K1295 PolarHBondContact OE1-NZ 2.87Å; L1293-K1295 VanDerWaalsContact C-N 3.3Å; L1293-K1295 PolarHBondContact O-N 3.41Å; K1295-N1298 PolarHBondContact O-N 3.03Å; K1295-G1299 PolarHBondContact O-N 2.75Å
1296	A	93.4	Very high	91.8	Very high	8 Å²	8	48.6 Å²	48.6	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-41	176.5	0	0	0	0	0	111.5	V816 E1292 L1293 G1299 R1300 I1383 L1385	V816-A1296 HydrophobicContact CG1-CB 4.22Å; V816-A1296 HydrophobicContact CG2-CB 3.95Å; E1292-A1296 WeakPolarHBondContact O-CB 3.4Å; E1292-A1296 PolarHBondContact O-N 3.43Å; L1293-A1296 WeakPolarHBondContact O-CB 3.36Å; L1293-A1296 PolarHBondContact O-N 3.49Å; L1293-A1296 VanDerWaalsContact O-N 3.15Å; A1296-G1299 PolarHBondContact O-N 3.34Å; A1296-R1300 PolarHBondContact O-N 3.07Å; A1296-I1383 HydrophobicContact CB-CD1 4.24Å; A1296-I1383 HydrophobicContact CB-CG2 4.12Å; A1296-L1385 HydrophobicContact CB-CD2 4.14Å
1297	F	94.3	Very high	91.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-48.4	175.6	-60.2	-9.1	0	0	0	111.1	L1293 V1294 G1299 R1300 L1301 L1311 I1359 Y1368 L1385 V1388 W1411	L1293-F1297 HydrophobicContact CB-CE1 4.39Å; L1293-F1297 HydrophobicContact CB-CZ 4.18Å; L1293-F1297 HydrophobicContact CD2-CE1 4.13Å; L1293-F1297 HydrophobicContact CD2-CZ 4.28Å; L1293-F1297 WeakPolarHBondContact O-CD1 3.42Å; L1293-F1297 WeakPolarHBondContact O-CG 3.39Å; L1293-F1297 PolarHBondContact O-N 3.47Å; V1294-F1297 PolarHBondContact O-N 3.07Å; F1297-G1299 VanDerWaalsContact C-N 3.31Å; F1297-G1299 PolarHBondContact O-N 3.36Å; F1297-R1300 PolarHBondContact O-N 3.17Å; F1297-R1300 VanDerWaalsContact O-N 3.16Å; F1297-L1301 WeakPolarHBondContact O-CG 3.05Å; F1297-L1301 PolarHBondContact O-N 3.44Å; F1297-L1311 HydrophobicContact CB-CD1 4.11Å; F1297-L1311 HydrophobicContact CD2-CD1 4.09Å; F1297-I1359 HydrophobicContact CE2-CD1 3.91Å; F1297-I1359 HydrophobicContact CZ-CD1 4.44Å; F1297-Y1368 HydrophobicContact CD2-CD2 4.35Å; F1297-Y1368 HydrophobicContact CD2-CE2 4.37Å; F1297-Y1368 HydrophobicContact CE2-CD1 4.42Å; F1297-Y1368 AromaticContact CE2-CD2 3.72Å; F1297-Y1368 HydrophobicContact CE2-CD2 3.72Å; F1297-Y1368 HydrophobicContact CE2-CE2 4.18Å; F1297-Y1368 AromaticContact CE2-CG 3.85Å; F1297-Y1368 HydrophobicContact CE2-CG 3.85Å; F1297-Y1368 HydrophobicContact CZ-CG 4.35Å; F1297-L1385 HydrophobicContact CD1-CD2 3.98Å; F1297-L1385 HydrophobicContact CE1-CD2 4.32Å; F1297-V1388 HydrophobicContact CE1-CG1 4.03Å; F1297-V1388 HydrophobicContact CE1-CG2 3.96Å; F1297-V1388 HydrophobicContact CZ-CG1 3.85Å; F1297-V1388 HydrophobicContact CZ-CG2 4.44Å; F1297-W1411 HydrophobicContact CB-CG 4.45Å; F1297-W1411 AromaticContact CD1-CD1 3.68Å; F1297-W1411 AromaticContact CD1-NE1 3.31Å; F1297-W1411 VanDerWaalsContact CD1-NE1 3.31Å; F1297-W1411 AromaticContact CD2-CD1 3.71Å; F1297-W1411 AromaticContact CE1-NE1 3.52Å; F1297-W1411 AromaticContact CG-CD1 3.45Å; F1297-W1411 VanDerWaalsContact CG-CD1 3.45Å; F1297-W1411 HydrophobicContact CG-CG 4.47Å; F1297-W1411 AromaticContact CG-NE1 3.63Å; F1297-W1411 AromaticContact CZ-NE1 3.96Å
1298	N	94.7	Very high	92	Very high	47 Å²	47	50 Å²	50	25%	0.251	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-35	175.9	-74.5	-36.9	0	0	0	112.1	V1294 K1295 R1300 L1301 K1302 P1310 L1311	V1294-N1298 WeakPolarHBondContact O-CB 3.28Å; V1294-N1298 PolarHBondContact O-N 3.25Å; V1294-N1298 PolarHBondContact O-ND2 2.8Å; K1295-N1298 PolarHBondContact O-N 3.03Å; N1298-R1300 VanDerWaalsContact C-N 3.32Å; N1298-R1300 PolarHBondContact O-N 2.93Å; N1298-L1301 CarbonylContact O-C 3.49Å; N1298-L1301 PolarHBondContact O-N 3.15Å; N1298-K1302 PolarHBondContact O-N 2.57Å; N1298-P1310 WeakPolarHBondContact OD1-CA 3.35Å; N1298-L1311 PolarHBondContact ND2-O 3.29Å; N1298-L1311 PolarHBondContact OD1-N 2.73Å
1299	G	91.2	Very high	92.1	Very high	47 Å²	47	50 Å²	50	49%	0.485	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-40.8	172	0	0	0	0	0	112.2	K1295 A1296 F1297 K1302	K1295-G1299 PolarHBondContact O-N 2.75Å; A1296-G1299 PolarHBondContact O-N 3.34Å; F1297-G1299 VanDerWaalsContact C-N 3.31Å; F1297-G1299 PolarHBondContact O-N 3.36Å; G1299-K1302 VanDerWaalsContact O-CB 3.25Å; G1299-K1302 WeakPolarHBondContact O-CB 3.12Å; G1299-K1302 PolarHBondContact O-N 2.69Å
1300	R	87.5	Confident	92.1	Very high	28 Å²	28	53 Å²	53	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-70.9	-35.3	175.5	-177.3	54.7	178.7	93.5	0.8	112.9	A1296 F1297 N1298 K1302 L1385 D1405 L1408 W1411	A1296-R1300 PolarHBondContact O-N 3.07Å; F1297-R1300 PolarHBondContact O-N 3.17Å; F1297-R1300 VanDerWaalsContact O-N 3.16Å; N1298-R1300 VanDerWaalsContact C-N 3.32Å; N1298-R1300 PolarHBondContact O-N 2.93Å; R1300-K1302 VanDerWaalsContact C-N 3.32Å; R1300-L1385 HydrophobicContact CB-CD1 3.85Å; R1300-L1385 HydrophobicContact CG-CD1 4.11Å; R1300-D1405 IonicContact CZ-OD2 3.36Å; R1300-D1405 IonicContact NH1-OD2 2.81Å; R1300-D1405 PolarHBondContact NH1-OD2 3.45Å; R1300-D1405 VanDerWaalsContact NH1-OD2 3.09Å; R1300-D1405 IonicContact NH2-OD1 2.88Å; R1300-D1405 IonicContact NH2-OD2 2.77Å; R1300-D1405 PolarHBondContact NH2-OD2 2.94Å; R1300-L1408 HydrophobicContact CG-CD2 3.72Å; R1300-L1408 VanDerWaalsContact NH1-CD2 3.25Å; R1300-W1411 HydrophobicContact CG-CE3 4.38Å; R1300-W1411 HydrophobicContact CG-CZ3 4.29Å
1301	L	90.8	Very high	92.1	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-74.1	-19.4	174.6	-70	171.7	0	0	0	113.3	F1297 N1298 K1303 E1304 E1305 C1308 L1311 L1408 W1411 C1412	F1297-L1301 WeakPolarHBondContact O-CG 3.05Å; F1297-L1301 PolarHBondContact O-N 3.44Å; N1298-L1301 CarbonylContact O-C 3.49Å; N1298-L1301 PolarHBondContact O-N 3.15Å; L1301-K1303 PolarHBondContact O-N 3.14Å; L1301-K1303 VanDerWaalsContact O-N 3.07Å; L1301-E1304 CarbonylContact O-C 3.21Å; L1301-E1304 VanDerWaalsContact O-C 3.28Å; L1301-E1304 WeakPolarHBondContact O-CA 2.99Å; L1301-E1304 PolarHBondContact O-N 3.37Å; L1301-E1305 PolarHBondContact O-N 3.02Å; L1301-C1308 HydrophobicContact CD2-CB 3.78Å; L1301-L1311 HydrophobicContact CD1-CD1 4.18Å; L1301-L1311 HydrophobicContact CD1-CG 3.98Å; L1301-L1408 HydrophobicContact CD2-CD2 3.98Å; L1301-W1411 HydrophobicContact CD1-CB 4.14Å; L1301-W1411 HydrophobicContact CD2-CB 4.06Å; L1301-W1411 HydrophobicContact CG-CB 4.17Å; L1301-C1412 HydrophobicContact CD2-CB 4.16Å
1302	K	89.1	Confident	92.1	Very high	143 Å²	143	60.8 Å²	60.8	62%	0.622	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-50.9	-37.5	-174.8	-170.4	176.2	-178.3	179.3	0	114.1	N1298 G1299 R1300 E1304 E1305	N1298-K1302 PolarHBondContact O-N 2.57Å; G1299-K1302 VanDerWaalsContact O-CB 3.25Å; G1299-K1302 WeakPolarHBondContact O-CB 3.12Å; G1299-K1302 PolarHBondContact O-N 2.69Å; R1300-K1302 VanDerWaalsContact C-N 3.32Å; K1302-E1304 PolarHBondContact O-N 3.18Å; K1302-E1305 WeakPolarHBondContact O-CG 3.32Å; K1302-E1305 PolarHBondContact O-N 3.38Å
1303	K	84.7	Confident	92.1	Very high	182 Å²	182	60.8 Å²	60.8	79%	0.791	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.3	177.7	-69.4	-175.2	179.2	179.5	0	113	L1301	L1301-K1303 PolarHBondContact O-N 3.14Å; L1301-K1303 VanDerWaalsContact O-N 3.07Å
1304	E	89.6	Confident	91.9	Very high	49 Å²	49	62.9 Å²	62.9	23%	0.229	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-124.2	27.3	-174.8	-57.4	-66.3	157.9	0	0	111.2	L1301 K1302 K1306 L1307 C1308 I1401 K1404 L1408	L1301-E1304 CarbonylContact O-C 3.21Å; L1301-E1304 VanDerWaalsContact O-C 3.28Å; L1301-E1304 WeakPolarHBondContact O-CA 2.99Å; L1301-E1304 PolarHBondContact O-N 3.37Å; K1302-E1304 PolarHBondContact O-N 3.18Å; E1304-K1306 PolarHBondContact O-N 2.7Å; E1304-L1307 PolarHBondContact O-N 3.36Å; E1304-C1308 PolarHBondContact O-N 2.95Å; E1304-I1401 HydrophobicContact CB-CD1 3.94Å; E1304-I1401 HydrophobicContact CG-CD1 3.72Å; E1304-K1404 IonicContact OE2-NZ 3.01Å; E1304-L1408 HydrophobicContact CB-CD1 4.08Å; E1304-L1408 HydrophobicContact CG-CD1 3.72Å
1305	E	90	Very high	91.6	Very high	114 Å²	114	63.7 Å²	63.7	53%	0.533	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-15.1	-177.3	68.8	-178.8	-175.7	0	0	114	L1301 K1302 Y1415	L1301-E1305 PolarHBondContact O-N 3.02Å; K1302-E1305 WeakPolarHBondContact O-CG 3.32Å; K1302-E1305 PolarHBondContact O-N 3.38Å; E1305-Y1415 VanDerWaalsContact O-CE2 3.26Å; E1305-Y1415 WeakPolarHBondContact O-CE2 3.47Å; E1305-Y1415 PolarHBondContact O-OH 3.37Å; E1305-Y1415 VanDerWaalsContact O-OH 3.13Å
1306	K	90.5	Very high	91.6	Very high	187 Å²	187	59.3 Å²	59.3	81%	0.813	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.3	173.4	-64.2	-176	179.3	-179.8	0	113.3	E1304 Y1415	E1304-K1306 PolarHBondContact O-N 2.7Å; K1306-Y1415 WeakPolarHBondContact O-CD2 3.33Å
1307	L	92.1	Very high	91.3	Very high	51 Å²	51	62.3 Å²	62.3	27%	0.267	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-43	-180	-60.3	179.6	0	0	0	111.4	E1304 I1401 K1404 C1414 Y1415	E1304-L1307 PolarHBondContact O-N 3.36Å; L1307-I1401 HydrophobicContact CD1-CD1 4.06Å; L1307-K1404 HydrophobicContact CD1-CD 3.59Å; L1307-C1414 WeakPolarHBondContact O-CA 3.42Å; L1307-Y1415 VanDerWaalsContact O-CD2 3.29Å; L1307-Y1415 WeakPolarHBondContact O-CD2 2.85Å; L1307-Y1415 PolarHBondContact O-N 3Å
1308	C	93.7	Very high	91	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.014	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-101.8	128.5	-174.1	-53.9	0	0	0	0	110.5	L1301 E1304 C1412 V1413	L1301-C1308 HydrophobicContact CD2-CB 3.78Å; E1304-C1308 PolarHBondContact O-N 2.95Å; C1308-C1412 HydrophobicContact CB-CB 3.95Å; C1308-C1412 WeakPolarHBondContact CB-SG 3.31Å; C1308-C1412 WeakPolarHBondContact SG-CB 3.49Å; C1308-C1412 CovalentContact SG-SG 2.04Å; C1308-C1412 PolarHBondContact SG-SG 2.03Å; C1308-V1413 CarbonylContact C-O 3.47Å; C1308-V1413 WeakPolarHBondContact CA-O 3.31Å
1309	S	92.3	Very high	90.8	Very high	13 Å²	13	62.3 Å²	62.3	9%	0.091	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-62.9	143.1	172.8	178.7	0	0	0	0	111.4	L1311 V1413	S1309-L1311 PolarHBondContact O-N 2.77Å; S1309-V1413 PolarHBondContact N-O 2.73Å
1310	P	93.5	Very high	90.6	Very high	62 Å²	62	61 Å²	61	40%	0.403	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-61.5	138.6	170.6	26.7	-34.6	0	0	0	110.5	N1298	N1298-P1310 WeakPolarHBondContact OD1-CA 3.35Å
1311	L	94.7	Very high	90.5	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-83.9	141	174.7	-59.8	-178.5	0	0	0	110	V1294 F1297 N1298 L1301 S1309 T1361 N1362 Y1368 W1411 V1413	V1294-L1311 HydrophobicContact CG1-CB 4.41Å; V1294-L1311 VanDerWaalsContact CG1-O 3.32Å; V1294-L1311 WeakPolarHBondContact CG1-O 3.5Å; F1297-L1311 HydrophobicContact CB-CD1 4.11Å; F1297-L1311 HydrophobicContact CD2-CD1 4.09Å; N1298-L1311 PolarHBondContact ND2-O 3.29Å; N1298-L1311 PolarHBondContact OD1-N 2.73Å; L1301-L1311 HydrophobicContact CD1-CD1 4.18Å; L1301-L1311 HydrophobicContact CD1-CG 3.98Å; S1309-L1311 PolarHBondContact O-N 2.77Å; L1311-T1361 HydrophobicContact CB-CG2 4.47Å; L1311-N1362 CarbonylContact C-O 3.58Å; L1311-N1362 WeakPolarHBondContact CA-O 3.07Å; L1311-Y1368 HydrophobicContact CD1-CE2 4.05Å; L1311-W1411 HydrophobicContact CD1-CB 4.17Å; L1311-V1413 HydrophobicContact CD2-CG2 4.36Å
1312	R	93.8	Very high	89.7	Confident	185 Å²	185	60.2 Å²	60.2	70%	0.698	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.2	171.3	-60.6	-179.5	-172.3	174.1	2.5	108.7	D1314 T1361 N1362	R1312-D1314 PolarHBondContact O-N 3.45Å; R1312-T1361 CarbonylContact O-C 3.59Å; R1312-T1361 WeakPolarHBondContact O-CA 3.27Å; R1312-T1361 VanDerWaalsContact O-CB 3.3Å; R1312-T1361 WeakPolarHBondContact O-CB 3.35Å; R1312-N1362 PolarHBondContact N-O 3.33Å; R1312-N1362 PolarHBondContact O-N 3.02Å
1313	L	93.4	Very high	88.4	Confident	31 Å²	31	58.9 Å²	58.9	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	120.6	170.3	-175.2	61.3	0	0	0	108	Y797 A1290 V1294 I1316 I1359	Y797-L1313 HydrophobicContact CE2-CD2 4.37Å; A1290-L1313 HydrophobicContact CB-CD1 4.04Å; A1290-L1313 HydrophobicContact CB-CD2 3.62Å; V1294-L1313 HydrophobicContact CG2-CB 3.99Å; V1294-L1313 HydrophobicContact CG2-CD1 4.22Å; L1313-I1316 HydrophobicContact CD1-CG1 4.39Å; L1313-I1316 HydrophobicContact CD2-CG1 4.41Å; L1313-I1359 HydrophobicContact CD1-CB 4Å; L1313-I1359 HydrophobicContact CD1-CD1 4.29Å; L1313-I1359 HydrophobicContact CD1-CG2 4.2Å
1314	D	90.5	Very high	86.9	Confident	46 Å²	46	52.3 Å²	52.3	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-48.6	175.4	177.4	70.5	0	0	0	110	R1312 R1360 N1362	R1312-D1314 PolarHBondContact O-N 3.45Å; D1314-R1360 HydrophobicContact CB-CG 4.44Å; D1314-R1360 WeakPolarHBondContact CB-O 3.15Å; D1314-R1360 PolarHBondContact N-O 3.31Å; D1314-R1360 IonicContact OD2-CZ 3.53Å; D1314-R1360 IonicContact OD2-NE 3.34Å; D1314-R1360 PolarHBondContact OD2-NE 2.66Å; D1314-R1360 IonicContact OD2-NH2 3.6Å; D1314-R1360 PolarHBondContact OD2-NH2 3.12Å; D1314-N1362 WeakPolarHBondContact CB-ND2 3.41Å; D1314-N1362 VanDerWaalsContact CG-ND2 3.34Å; D1314-N1362 PolarHBondContact OD1-ND2 2.92Å
1315	S	90.9	Very high	84.7	Confident	27 Å²	27	54.8 Å²	54.8	19%	0.189	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	150.2	177	62.9	0	0	0	0	111.8	R1360	S1315-R1360 PolarHBondContact N-O 3.43Å; S1315-R1360 PolarHBondContact O-N 3.4Å; S1315-R1360 PolarHBondContact OG-NE 2.93Å; S1315-R1360 PolarHBondContact OG-NH2 3.22Å; S1315-R1360 VanDerWaalsContact OG-NH2 3.15Å
1316	I	92.7	Very high	82.2	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.4	166	-54.7	176.4	0	0	0	107.6	T1281 S1286 Q1287 A1290 L1313 A1319 I1359	T1281-I1316 WeakPolarHBondContact CB-O 3.25Å; T1281-I1316 HydrophobicContact CG2-CB 4.35Å; T1281-I1316 HydrophobicContact CG2-CG2 3.95Å; T1281-I1316 VanDerWaalsContact CG2-O 3.31Å; T1281-I1316 WeakPolarHBondContact CG2-O 3.24Å; T1281-I1316 WeakPolarHBondContact O-CD1 3.45Å; S1286-I1316 WeakPolarHBondContact O-CD1 3.31Å; Q1287-I1316 HydrophobicContact CG-CD1 4.44Å; A1290-I1316 HydrophobicContact CB-CD1 3.38Å; A1290-I1316 HydrophobicContact CB-CG1 3.65Å; L1313-I1316 HydrophobicContact CD1-CG1 4.39Å; L1313-I1316 HydrophobicContact CD2-CG1 4.41Å; I1316-A1319 HydrophobicContact CG2-CB 4.41Å; I1316-I1359 HydrophobicContact CG1-CG2 4.16Å; I1316-I1359 HydrophobicContact CG2-CG2 4.38Å
1317	L	87.4	Confident	79.7	Confident	71 Å²	71	50.5 Å²	50.5	37%	0.372	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-41.7	-179.9	-58.3	-176.5	0	0	0	111.2	T1358 R1360 L1367	L1317-T1358 HydrophobicContact CB-CG2 4.24Å; L1317-T1358 WeakPolarHBondContact CB-O 3.49Å; L1317-T1358 HydrophobicContact CD1-CG2 4.28Å; L1317-T1358 PolarHBondContact N-O 2.92Å; L1317-R1360 HydrophobicContact CD1-CB 4.4Å; L1317-R1360 HydrophobicContact CD2-CB 4.49Å; L1317-R1360 HydrophobicContact CG-CB 4.34Å; L1317-L1367 HydrophobicContact CD1-CD2 3.51Å
1318	E	88.3	Confident	77.3	Confident	48 Å²	48	52.2 Å²	52.2	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.9	178.5	-54.9	177.3	158	0	0	110.8	K1186 Y1320 L1357 T1358	K1186-E1318 IonicContact NZ-OE2 2.78Å; K1186-E1318 PolarHBondContact NZ-OE2 3.07Å; E1318-Y1320 HydrophobicContact CB-CD2 4.38Å; E1318-Y1320 HydrophobicContact CB-CE2 3.7Å; E1318-Y1320 HydrophobicContact CG-CE2 4.4Å; E1318-L1357 CarbonylContact O-C 3.55Å; E1318-L1357 WeakPolarHBondContact O-CA 3.49Å; E1318-T1358 PolarHBondContact N-O 3.11Å; E1318-T1358 VanDerWaalsContact N-O 3.17Å; E1318-T1358 PolarHBondContact O-N 3.26Å; E1318-T1358 PolarHBondContact OE2-OG1 3.3Å
1319	A	89.7	Confident	74.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.2	171.2	0	0	0	0	0	109.5	K1278 L1279 S1286 I1316 R1356 L1357	K1278-A1319 CarbonylContact C-O 3.59Å; K1278-A1319 WeakPolarHBondContact CA-O 3.23Å; L1279-A1319 HydrophobicContact CB-CB 3.88Å; L1279-A1319 PolarHBondContact N-O 2.86Å; S1286-A1319 WeakPolarHBondContact OG-CB 3.42Å; I1316-A1319 HydrophobicContact CG2-CB 4.41Å; A1319-R1356 CarbonylContact C-O 3.52Å; A1319-R1356 WeakPolarHBondContact CA-O 3.41Å; A1319-L1357 HydrophobicContact CB-CG 4.1Å
1320	Y	87	Confident	72.2	Confident	19 Å²	19	55.7 Å²	55.7	8%	0.075	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.5	179.7	-62.8	-94.1	0	0	0	110.9	W1276 K1277 K1278 E1318 Y1355 R1356	W1276-Y1320 HydrophobicContact CB-CD1 4.11Å; W1276-Y1320 HydrophobicContact CB-CG 4.4Å; K1277-Y1320 CarbonylContact O-C 3.52Å; K1277-Y1320 WeakPolarHBondContact O-CA 3.37Å; K1278-Y1320 HydrophobicContact CB-CD1 3.93Å; K1278-Y1320 HydrophobicContact CB-CE1 3.65Å; K1278-Y1320 HydrophobicContact CD-CE1 4.44Å; K1278-Y1320 HydrophobicContact CG-CD1 4.46Å; K1278-Y1320 HydrophobicContact CG-CE1 3.96Å; E1318-Y1320 HydrophobicContact CB-CD2 4.38Å; E1318-Y1320 HydrophobicContact CB-CE2 3.7Å; E1318-Y1320 HydrophobicContact CG-CE2 4.4Å; Y1320-Y1355 CarbonylContact O-C 3.27Å; Y1320-Y1355 VanDerWaalsContact O-CA 3.28Å; Y1320-Y1355 WeakPolarHBondContact O-CA 3.39Å; Y1320-R1356 PolarHBondContact N-O 3.26Å; Y1320-R1356 PolarHBondContact O-N 2.97Å
1321	V	85.7	Confident	69.6	Low	11 Å²	11	58.1 Å²	58.1	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.3	169.1	63.2	0	0	0	0	110.3	K1277 L1279 Q1323 D1353 S1354 Y1355	K1277-V1321 HydrophobicContact CB-CG1 4.13Å; K1277-V1321 PolarHBondContact N-O 2.97Å; K1277-V1321 PolarHBondContact O-N 2.91Å; L1279-V1321 HydrophobicContact CD1-CB 4.01Å; L1279-V1321 HydrophobicContact CD1-CG1 4.24Å; L1279-V1321 HydrophobicContact CD2-CG1 3.88Å; L1279-V1321 HydrophobicContact CG-CB 4.32Å; L1279-V1321 HydrophobicContact CG-CG1 4.07Å; V1321-Q1323 HydrophobicContact CG2-CG 3.92Å; V1321-D1353 HydrophobicContact CG2-CB 4.47Å; V1321-S1354 CarbonylContact C-O 3.58Å; V1321-S1354 VanDerWaalsContact CA-O 3.31Å; V1321-S1354 WeakPolarHBondContact CA-O 3.42Å; V1321-Y1355 HydrophobicContact CB-CD1 3.79Å; V1321-Y1355 HydrophobicContact CB-CE1 3.8Å; V1321-Y1355 HydrophobicContact CG2-CD1 3.81Å; V1321-Y1355 HydrophobicContact CG2-CE1 3.56Å; V1321-Y1355 HydrophobicContact CG2-CE2 4.34Å; V1321-Y1355 HydrophobicContact CG2-CG 4.3Å
1322	S	73.8	Confident	67.4	Low	5 Å²	5	62.2 Å²	62.2	4%	0.035	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.4	168.5	-166.7	0	0	0	0	108.1	S1275 S1354	S1275-S1322 WeakPolarHBondContact O-CA 3.4Å; S1275-S1322 VanDerWaalsContact O-CB 3.29Å; S1275-S1322 WeakPolarHBondContact O-CB 3.29Å; S1275-S1322 PolarHBondContact O-OG 2.74Å; S1322-S1354 PolarHBondContact N-O 3.09Å; S1322-S1354 PolarHBondContact O-N 3.08Å
1323	Q	62.9	Low	65	Low	114 Å²	114	54.5 Å²	54.5	53%	0.533	29%	0.289	S	S	.	.			trans	-106.5	136	177.5	-51.3	-169.2	-84.2	0	0	107.7	V1321 K1325 D1353	V1321-Q1323 HydrophobicContact CG2-CG 3.92Å; Q1323-K1325 PolarHBondContact O-N 3.14Å; Q1323-D1353 VanDerWaalsContact CG-OD1 3.22Å; Q1323-D1353 WeakPolarHBondContact CG-OD1 3.48Å; Q1323-D1353 PolarHBondContact NE2-OD1 3.33Å; Q1323-D1353 PolarHBondContact NE2-OD2 2.8Å
1324	P	52.2	Low	62.9	Low	45 Å²	45	55.4 Å²	55.4	29%	0.292	30%	0.301	S	S	.	.			trans	-52.8	135.4	166.2	-19.9	30.8	0	0	0	108.8	D1326 V1350 Y1352	P1324-D1326 PolarHBondContact O-N 2.72Å; P1324-V1350 HydrophobicContact CB-CB 3.85Å; P1324-V1350 HydrophobicContact CB-CG1 4.3Å; P1324-V1350 HydrophobicContact CB-CG2 4.42Å; P1324-V1350 HydrophobicContact CG-CB 3.6Å; P1324-V1350 HydrophobicContact CG-CG1 3.56Å; P1324-Y1352 WeakPolarHBondContact CD-O 3.2Å; P1324-Y1352 VanDerWaalsContact CG-O 3.26Å; P1324-Y1352 WeakPolarHBondContact CG-O 3.31Å
1325	K	43.8	Very low	61.4	Low	100 Å²	100	59.9 Å²	59.9	44%	0.435	32%	0.318	S	S	.	.			trans	-65.7	132.5	168.9	-68	171.2	176.2	-167.9	0	107.1	T158 Q1323 D1327 F1328	T158-K1325 HydrophobicContact CG2-CB 4.17Å; T158-K1325 HydrophobicContact CG2-CD 3.69Å; T158-K1325 HydrophobicContact CG2-CG 4.07Å; T158-K1325 WeakPolarHBondContact OG1-CD 3.23Å; T158-K1325 WeakPolarHBondContact OG1-CE 3.36Å; T158-K1325 PolarHBondContact OG1-NZ 3.39Å; Q1323-K1325 PolarHBondContact O-N 3.14Å; K1325-D1327 PolarHBondContact O-N 2.66Å; K1325-F1328 HydrophobicContact CB-CE2 4.33Å
1326	D	38.1	Very low	59.2	Low	155 Å²	155	60.9 Å²	60.9	83%	0.829	32%	0.321	S	S	*	.	S	Bend	trans	-63.3	22.6	-173.9	-74.4	-46.6	0	0	0	116	P1324	P1324-D1326 PolarHBondContact O-N 2.72Å
1327	D	38.2	Very low	57.2	Low	57 Å²	57	67.5 Å²	67.5	31%	0.305	36%	0.362	S	S	.	.			trans	-112.8	11.8	-159.6	-66.6	-0.7	0	0	0	115.8	T158 N160 K1325	T158-D1327 WeakPolarHBondContact CG2-OD2 3.21Å; N160-D1327 WeakPolarHBondContact CB-OD1 3.04Å; N160-D1327 PolarHBondContact ND2-OD1 3.36Å; K1325-D1327 PolarHBondContact O-N 2.66Å
1328	F	40.9	Very low	55.2	Low	86 Å²	86	69.3 Å²	69.3	38%	0.377	37%	0.372	S	S	.	.			trans	-110.4	128	-170.4	-59.8	-74.5	0	0	0	116.2	A834 K1325 V1348	A834-F1328 HydrophobicContact CB-CD1 3.47Å; A834-F1328 VanDerWaalsContact CB-CD1 3.47Å; A834-F1328 HydrophobicContact CB-CD2 3.94Å; A834-F1328 HydrophobicContact CB-CE1 3.28Å; A834-F1328 HydrophobicContact CB-CE2 3.77Å; A834-F1328 HydrophobicContact CB-CG 3.8Å; A834-F1328 HydrophobicContact CB-CZ 3.45Å; A834-F1328 VanDerWaalsContact CB-CZ 3.45Å; A834-F1328 WeakPolarHBondContact O-CE1 3.4Å; K1325-F1328 HydrophobicContact CB-CE2 4.33Å; F1328-V1348 PolarHBondContact O-N 2.05Å
1329	V	39.6	Very low	52.4	Low	72 Å²	72	69.6 Å²	69.6	44%	0.436	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.5	174.3	-136.5	0	0	0	0	108.9	F1331 F1344 G1345 R1347	V1329-F1331 PolarHBondContact O-N 3.2Å; V1329-F1344 HydrophobicContact CG1-CB 4.3Å; V1329-G1345 WeakPolarHBondContact CG1-O 3.41Å; V1329-R1347 HydrophobicContact CG1-CG 4.31Å
1330	A	39	Very low	50.4	Low	17 Å²	17	79 Å²	79	14%	0.14	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.7	-179.1	0	0	0	0	0	111.5	V832 F1344 G1345 V1348	V832-A1330 HydrophobicContact CB-CB 3.86Å; V832-A1330 HydrophobicContact CG1-CB 4.29Å; V832-A1330 HydrophobicContact CG2-CB 3.63Å; A1330-F1344 CarbonylContact O-C 3.5Å; A1330-F1344 WeakPolarHBondContact O-CA 3.47Å; A1330-G1345 PolarHBondContact O-N 3.36Å; A1330-V1348 HydrophobicContact CB-CG2 3.65Å
1331	F	39.6	Very low	47.8	Very low	112 Å²	112	82.9 Å²	82.9	49%	0.491	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.5	167.5	178.4	-98.8	0	0	0	110.3	V832 V1329 A1342 F1344	V832-F1331 VanDerWaalsContact CG2-O 3.25Å; V832-F1331 WeakPolarHBondContact CG2-O 3.11Å; V1329-F1331 PolarHBondContact O-N 3.2Å; F1331-A1342 HydrophobicContact CD2-CB 3.72Å; F1331-A1342 HydrophobicContact CE2-CB 3.45Å; F1331-A1342 VanDerWaalsContact CE2-CB 3.45Å; F1331-F1344 HydrophobicContact CB-CD1 4.28Å; F1331-F1344 HydrophobicContact CB-CE1 4.36Å; F1331-F1344 HydrophobicContact CD2-CD1 4.23Å; F1331-F1344 AromaticContact CD2-CE1 3.91Å; F1331-F1344 HydrophobicContact CD2-CE1 3.91Å
1332	V	48.3	Very low	45.4	Very low	90 Å²	90	84.1 Å²	84.1	55%	0.545	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-19.9	-176.1	175.7	0	0	0	0	112.3	K1343	V1332-K1343 WeakPolarHBondContact CA-O 3.45Å; V1332-K1343 HydrophobicContact CB-CG 4.44Å; V1332-K1343 VanDerWaalsContact CB-O 3.3Å; V1332-K1343 WeakPolarHBondContact CB-O 3.43Å; V1332-K1343 HydrophobicContact CG1-CD 4.41Å; V1332-K1343 PolarHBondContact N-O 2.99Å
1333	G	43.9	Very low	44.1	Very low	22 Å²	22	89.1 Å²	89.1	23%	0.227	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-162	-178.1	0	0	0	0	0	111	A1342 K1343	G1333-A1342 CarbonylContact O-C 3.57Å; G1333-K1343 PolarHBondContact N-O 3.03Å; G1333-K1343 WeakPolarHBondContact O-CA 3.07Å; G1333-K1343 WeakPolarHBondContact O-CB 3.45Å; G1333-K1343 PolarHBondContact O-N 2.94Å
1334	A	48.6	Very low	43.2	Very low	51 Å²	51	89.9 Å²	89.9	42%	0.421	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.4	173.1	0	0	0	0	0	111	D1336 E1341	A1334-D1336 VanDerWaalsContact C-N 3.32Å; A1334-D1336 WeakPolarHBondContact CB-O 3.26Å; A1334-E1341 CarbonylContact C-O 3.55Å; A1334-E1341 VanDerWaalsContact CA-O 3.28Å; A1334-E1341 WeakPolarHBondContact CA-O 3.21Å
1335	K	58.2	Low	42.9	Very low	140 Å²	140	88.9 Å²	88.9	61%	0.609	48%	0.475	S	S	*	.	S	Bend	trans	-80.5	-22.7	175.1	-176.2	170.5	156.1	-123.1	0	111.2	E1341 K1343	K1335-E1341 HydrophobicContact CB-CB 3.9Å; K1335-E1341 WeakPolarHBondContact CD-OE2 3.1Å; K1335-E1341 PolarHBondContact N-O 3.43Å; K1335-E1341 IonicContact NZ-OE2 2.86Å; K1335-E1341 PolarHBondContact NZ-OE2 2.89Å; K1335-K1343 HydrophobicContact CB-CB 3.85Å; K1335-K1343 HydrophobicContact CB-CG 4.49Å
1336	D	46	Very low	42.7	Very low	47 Å²	47	93.5 Å²	93.5	25%	0.251	50%	0.495	S	S	.	.	S	Bend	trans	-118.1	155.7	-177.8	63.3	-31	0	0	0	111.6	A1334 D1338 G1339 R1340 E1341	A1334-D1336 VanDerWaalsContact C-N 3.32Å; A1334-D1336 WeakPolarHBondContact CB-O 3.26Å; D1336-D1338 PolarHBondContact O-N 3.45Å; D1336-D1338 VanDerWaalsContact O-N 3.15Å; D1336-G1339 PolarHBondContact O-N 3.15Å; D1336-R1340 PolarHBondContact OD1-N 2.89Å; D1336-R1340 WeakPolarHBondContact OD2-CB 3.15Å; D1336-R1340 PolarHBondContact OD2-N 3.22Å; D1336-E1341 PolarHBondContact OD1-N 2.98Å
1337	V	49.2	Very low	42.7	Very low	155 Å²	155	95.8 Å²	95.8	94%	0.939	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.4	-176.3	-146.5	0	0	0	0	112.3
1338	D	46.2	Very low	42.7	Very low	110 Å²	110	96 Å²	96	59%	0.588	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	0.1	-176.2	-68.4	-11.7	0	0	0	114.2	D1336 R1340	D1336-D1338 PolarHBondContact O-N 3.45Å; D1336-D1338 VanDerWaalsContact O-N 3.15Å; D1338-R1340 HydrophobicContact CB-CG 4.12Å; D1338-R1340 PolarHBondContact O-N 3.33Å; D1338-R1340 IonicContact OD2-CZ 2.73Å; D1338-R1340 IonicContact OD2-NE 2.95Å; D1338-R1340 IonicContact OD2-NH2 3.58Å; D1338-R1340 PolarHBondContact OD2-NH2 3.41Å; D1338-R1340 VanDerWaalsContact OD2-NH2 3.11Å
1339	G	30.4	Very low	42.7	Very low	54 Å²	54	94.6 Å²	94.6	56%	0.557	51%	0.505	S	S	*	.	S	Bend	trans	80	11.3	174.5	0	0	0	0	0	116.8	D1336	D1336-G1339 PolarHBondContact O-N 3.15Å
1340	R	47	Very low	43	Very low	198 Å²	198	94.5 Å²	94.5	75%	0.747	50%	0.504	S	S	*	.			trans	-95.3	-27.9	-167.9	-51.5	-179.6	-168.1	168.9	10.6	113.6	D1336 D1338	D1336-R1340 PolarHBondContact OD1-N 2.89Å; D1336-R1340 WeakPolarHBondContact OD2-CB 3.15Å; D1336-R1340 PolarHBondContact OD2-N 3.22Å; D1338-R1340 HydrophobicContact CB-CG 4.12Å; D1338-R1340 PolarHBondContact O-N 3.33Å; D1338-R1340 IonicContact OD2-CZ 2.73Å; D1338-R1340 IonicContact OD2-NE 2.95Å; D1338-R1340 IonicContact OD2-NH2 3.58Å; D1338-R1340 PolarHBondContact OD2-NH2 3.41Å; D1338-R1340 VanDerWaalsContact OD2-NH2 3.11Å
1341	E	33	Very low	43.8	Very low	99 Å²	99	95.2 Å²	95.2	46%	0.463	51%	0.508	S	S	.	.	S	Bend	trans	-101.4	117.2	175.9	-75.1	-166.8	179.3	0	0	110.4	A1334 K1335 D1336 K1343	A1334-E1341 CarbonylContact C-O 3.55Å; A1334-E1341 VanDerWaalsContact CA-O 3.28Å; A1334-E1341 WeakPolarHBondContact CA-O 3.21Å; K1335-E1341 HydrophobicContact CB-CB 3.9Å; K1335-E1341 WeakPolarHBondContact CD-OE2 3.1Å; K1335-E1341 PolarHBondContact N-O 3.43Å; K1335-E1341 IonicContact NZ-OE2 2.86Å; K1335-E1341 PolarHBondContact NZ-OE2 2.89Å; D1336-E1341 PolarHBondContact OD1-N 2.98Å; E1341-K1343 PolarHBondContact O-N 3.18Å; E1341-K1343 VanDerWaalsContact O-N 3.09Å
1342	A	35	Very low	45	Very low	37 Å²	37	93.4 Å²	93.4	31%	0.306	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	110.4	168.9	0	0	0	0	0	110.3	F1331 G1333 F1344	F1331-A1342 HydrophobicContact CD2-CB 3.72Å; F1331-A1342 HydrophobicContact CE2-CB 3.45Å; F1331-A1342 VanDerWaalsContact CE2-CB 3.45Å; G1333-A1342 CarbonylContact O-C 3.57Å; A1342-F1344 VanDerWaalsContact C-N 3.29Å; A1342-F1344 HydrophobicContact CB-CD1 4.42Å; A1342-F1344 HydrophobicContact CB-CD2 3.94Å; A1342-F1344 HydrophobicContact CB-CE1 3.86Å; A1342-F1344 HydrophobicContact CB-CE2 3.33Å; A1342-F1344 HydrophobicContact CB-CG 4.46Å; A1342-F1344 HydrophobicContact CB-CZ 3.28Å; A1342-F1344 VanDerWaalsContact O-CD2 3.28Å; A1342-F1344 WeakPolarHBondContact O-CD2 3.48Å; A1342-F1344 PolarHBondContact O-N 3.36Å
1343	K	45.9	Very low	46.5	Very low	111 Å²	111	90 Å²	90	48%	0.483	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	92.6	161.5	-169.5	175.4	-179.1	177	0	107.2	V1332 G1333 K1335 E1341	V1332-K1343 WeakPolarHBondContact CA-O 3.45Å; V1332-K1343 HydrophobicContact CB-CG 4.44Å; V1332-K1343 VanDerWaalsContact CB-O 3.3Å; V1332-K1343 WeakPolarHBondContact CB-O 3.43Å; V1332-K1343 HydrophobicContact CG1-CD 4.41Å; V1332-K1343 PolarHBondContact N-O 2.99Å; G1333-K1343 PolarHBondContact N-O 3.03Å; G1333-K1343 WeakPolarHBondContact O-CA 3.07Å; G1333-K1343 WeakPolarHBondContact O-CB 3.45Å; G1333-K1343 PolarHBondContact O-N 2.94Å; K1335-K1343 HydrophobicContact CB-CB 3.85Å; K1335-K1343 HydrophobicContact CB-CG 4.49Å; E1341-K1343 PolarHBondContact O-N 3.18Å; E1341-K1343 VanDerWaalsContact O-N 3.09Å
1344	F	45	Very low	48.3	Very low	129 Å²	129	89.5 Å²	89.5	57%	0.566	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.1	165	-57.9	-73.9	0	0	0	108.3	V1329 A1330 F1331 A1342	V1329-F1344 HydrophobicContact CG1-CB 4.3Å; A1330-F1344 CarbonylContact O-C 3.5Å; A1330-F1344 WeakPolarHBondContact O-CA 3.47Å; F1331-F1344 HydrophobicContact CB-CD1 4.28Å; F1331-F1344 HydrophobicContact CB-CE1 4.36Å; F1331-F1344 HydrophobicContact CD2-CD1 4.23Å; F1331-F1344 AromaticContact CD2-CE1 3.91Å; F1331-F1344 HydrophobicContact CD2-CE1 3.91Å; A1342-F1344 VanDerWaalsContact C-N 3.29Å; A1342-F1344 HydrophobicContact CB-CD1 4.42Å; A1342-F1344 HydrophobicContact CB-CD2 3.94Å; A1342-F1344 HydrophobicContact CB-CE1 3.86Å; A1342-F1344 HydrophobicContact CB-CE2 3.33Å; A1342-F1344 HydrophobicContact CB-CG 4.46Å; A1342-F1344 HydrophobicContact CB-CZ 3.28Å; A1342-F1344 VanDerWaalsContact O-CD2 3.28Å; A1342-F1344 WeakPolarHBondContact O-CD2 3.48Å; A1342-F1344 PolarHBondContact O-N 3.36Å
1345	G	45.9	Very low	50.2	Low	25 Å²	25	88.3 Å²	88.3	26%	0.258	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-167.5	171.8	0	0	0	0	0	112.1	V1329 A1330	V1329-G1345 WeakPolarHBondContact CG1-O 3.41Å; A1330-G1345 PolarHBondContact O-N 3.36Å
1346	K	38.1	Very low	51.7	Low	196 Å²	196	82.4 Å²	82.4	85%	0.852	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	146.6	175.3	-70.6	-175.5	177.1	-178.8	0	110.6	V1348	K1346-V1348 PolarHBondContact O-N 3.36Å
1347	R	38.3	Very low	54	Low	204 Å²	204	80.2 Å²	80.2	77%	0.77	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-44.6	123.1	167.2	-75.2	-178.8	178.8	-177	-2.4	108.6	V1329 G1349	V1329-R1347 HydrophobicContact CG1-CG 4.31Å; R1347-G1349 PolarHBondContact O-N 3.04Å
1348	V	38.6	Very low	56.1	Low	60 Å²	60	73.2 Å²	73.2	36%	0.364	38%	0.375	S	S	.	.			trans	-84.5	75.4	165	-169	0	0	0	0	104.3	F1328 A1330 K1346 V1350	F1328-V1348 PolarHBondContact O-N 2.05Å; A1330-V1348 HydrophobicContact CB-CG2 3.65Å; K1346-V1348 PolarHBondContact O-N 3.36Å; V1348-V1350 VanDerWaalsContact C-N 3.3Å; V1348-V1350 HydrophobicContact CG1-CG2 4.25Å; V1348-V1350 PolarHBondContact O-N 2.78Å
1349	G	41	Very low	58.4	Low	57 Å²	57	68 Å²	68	59%	0.588	35%	0.347	S	S	*	.			trans	-56.5	111	156.9	0	0	0	0	0	104	R1347 P1351	R1347-G1349 PolarHBondContact O-N 3.04Å; G1349-P1351 WeakPolarHBondContact O-CD 2.96Å
1350	V	45.2	Very low	61.4	Low	70 Å²	70	69 Å²	69	42%	0.424	33%	0.334	S	S	.	.			trans	-74.5	101.5	166.2	178.3	0	0	0	0	102.3	P1324 V1348 Y1352	P1324-V1350 HydrophobicContact CB-CB 3.85Å; P1324-V1350 HydrophobicContact CB-CG1 4.3Å; P1324-V1350 HydrophobicContact CB-CG2 4.42Å; P1324-V1350 HydrophobicContact CG-CB 3.6Å; P1324-V1350 HydrophobicContact CG-CG1 3.56Å; V1348-V1350 VanDerWaalsContact C-N 3.3Å; V1348-V1350 HydrophobicContact CG1-CG2 4.25Å; V1348-V1350 PolarHBondContact O-N 2.78Å; V1350-Y1352 HydrophobicContact CG1-CD2 3.9Å; V1350-Y1352 PolarHBondContact O-N 2.8Å
1351	P	56.7	Low	63.7	Low	33 Å²	33	59.6 Å²	59.6	21%	0.214	30%	0.298	C	S	.	.			trans	-73	12.8	-172.7	36.2	-39.5	0	0	0	111.7	G1349 D1375 V1376 T1377	G1349-P1351 WeakPolarHBondContact O-CD 2.96Å; P1351-D1375 CarbonylContact O-C 3.27Å; P1351-D1375 WeakPolarHBondContact O-CA 3.23Å; P1351-V1376 WeakPolarHBondContact O-CG2 2.92Å; P1351-V1376 PolarHBondContact O-N 2.87Å; P1351-T1377 WeakPolarHBondContact CB-OG1 3.33Å
1352	Y	64.9	Low	66.4	Low	73 Å²	73	57.4 Å²	57.4	29%	0.286	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.5	-166.7	-56.4	-79.2	0	0	0	111	P1324 V1350 Y1374 D1375 L1382	P1324-Y1352 WeakPolarHBondContact CD-O 3.2Å; P1324-Y1352 VanDerWaalsContact CG-O 3.26Å; P1324-Y1352 WeakPolarHBondContact CG-O 3.31Å; V1350-Y1352 HydrophobicContact CG1-CD2 3.9Å; V1350-Y1352 PolarHBondContact O-N 2.8Å; Y1352-Y1374 CarbonylContact C-O 3.48Å; Y1352-Y1374 VanDerWaalsContact CA-O 3.22Å; Y1352-Y1374 WeakPolarHBondContact CA-O 3.46Å; Y1352-D1375 HydrophobicContact CD1-CB 3.76Å; Y1352-D1375 HydrophobicContact CE1-CB 3.57Å; Y1352-L1382 HydrophobicContact CE1-CD1 4.14Å
1353	D	79.1	Confident	69.1	Low	20 Å²	20	56.8 Å²	56.8	11%	0.107	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.5	161.4	-75.9	-28.7	0	0	0	108.9	V1321 Q1323 Y1355 L1373 Y1374	V1321-D1353 HydrophobicContact CG2-CB 4.47Å; Q1323-D1353 VanDerWaalsContact CG-OD1 3.22Å; Q1323-D1353 WeakPolarHBondContact CG-OD1 3.48Å; Q1323-D1353 PolarHBondContact NE2-OD1 3.33Å; Q1323-D1353 PolarHBondContact NE2-OD2 2.8Å; D1353-Y1355 HydrophobicContact CB-CD2 4.39Å; D1353-Y1355 HydrophobicContact CB-CE2 3.7Å; D1353-L1373 CarbonylContact O-C 3.52Å; D1353-Y1374 HydrophobicContact CB-CD1 4.34Å; D1353-Y1374 PolarHBondContact N-O 3.07Å; D1353-Y1374 PolarHBondContact O-N 3.35Å
1354	S	81.7	Confident	70.9	Confident	11 Å²	11	58.1 Å²	58.1	8%	0.077	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.8	173.6	-56.7	0	0	0	0	110.1	W1276 V1321 S1322 V1372 L1373	W1276-S1354 WeakPolarHBondContact CZ3-O 3.13Å; V1321-S1354 CarbonylContact C-O 3.58Å; V1321-S1354 VanDerWaalsContact CA-O 3.31Å; V1321-S1354 WeakPolarHBondContact CA-O 3.42Å; S1322-S1354 PolarHBondContact N-O 3.09Å; S1322-S1354 PolarHBondContact O-N 3.08Å; S1354-V1372 CarbonylContact C-O 3.58Å; S1354-V1372 WeakPolarHBondContact CA-O 3.45Å; S1354-L1373 WeakPolarHBondContact OG-CD2 3.44Å
1355	Y	90.1	Very high	73	Confident	26 Å²	26	58.3 Å²	58.3	10%	0.102	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.8	174	-65	-95.7	0	0	0	110.2	L1279 I1285 I1289 Y1320 V1321 D1353 T1371 V1372 Y1374	L1279-Y1355 HydrophobicContact CD1-CD1 3.73Å; L1279-Y1355 HydrophobicContact CD1-CE1 3.85Å; I1285-Y1355 HydrophobicContact CG1-CD1 4.5Å; I1285-Y1355 HydrophobicContact CG1-CE1 3.94Å; I1285-Y1355 HydrophobicContact CG2-CE1 4.4Å; I1289-Y1355 HydrophobicContact CD1-CD1 3.8Å; I1289-Y1355 HydrophobicContact CD1-CD2 3.87Å; I1289-Y1355 HydrophobicContact CD1-CE1 4.44Å; I1289-Y1355 HydrophobicContact CD1-CE2 4.5Å; I1289-Y1355 HydrophobicContact CD1-CG 3.48Å; I1289-Y1355 VanDerWaalsContact CD1-CG 3.48Å; Y1320-Y1355 CarbonylContact O-C 3.27Å; Y1320-Y1355 VanDerWaalsContact O-CA 3.28Å; Y1320-Y1355 WeakPolarHBondContact O-CA 3.39Å; V1321-Y1355 HydrophobicContact CB-CD1 3.79Å; V1321-Y1355 HydrophobicContact CB-CE1 3.8Å; V1321-Y1355 HydrophobicContact CG2-CD1 3.81Å; V1321-Y1355 HydrophobicContact CG2-CE1 3.56Å; V1321-Y1355 HydrophobicContact CG2-CE2 4.34Å; V1321-Y1355 HydrophobicContact CG2-CG 4.3Å; D1353-Y1355 HydrophobicContact CB-CD2 4.39Å; D1353-Y1355 HydrophobicContact CB-CE2 3.7Å; Y1355-T1371 CarbonylContact O-C 3.47Å; Y1355-T1371 VanDerWaalsContact O-CA 3.23Å; Y1355-T1371 WeakPolarHBondContact O-CA 3.36Å; Y1355-V1372 PolarHBondContact N-O 2.98Å; Y1355-V1372 PolarHBondContact O-N 2.87Å; Y1355-Y1374 HydrophobicContact CE2-CD1 4.14Å; Y1355-Y1374 HydrophobicContact CE2-CG 4.31Å
1356	R	89.5	Confident	75	Confident	16 Å²	16	57.1 Å²	57.1	6%	0.06	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.9	175.8	-174.9	-175.3	71.7	178.5	0.5	110.6	W1276 A1319 Y1320 E1369 A1370	W1276-R1356 HydrophobicContact CE3-CB 3.86Å; W1276-R1356 HydrophobicContact CH2-CB 3.94Å; W1276-R1356 HydrophobicContact CZ3-CB 3.53Å; A1319-R1356 CarbonylContact C-O 3.52Å; A1319-R1356 WeakPolarHBondContact CA-O 3.41Å; Y1320-R1356 PolarHBondContact N-O 3.26Å; Y1320-R1356 PolarHBondContact O-N 2.97Å; R1356-E1369 HydrophobicContact CG-CG 3.96Å; R1356-E1369 IonicContact NH1-OE1 2.99Å; R1356-A1370 CarbonylContact C-O 3.28Å; R1356-A1370 VanDerWaalsContact CA-O 3.25Å; R1356-A1370 WeakPolarHBondContact CA-O 3.33Å
1357	L	93.8	Very high	77.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	178.3	-75.2	72.2	0	0	0	110.6	S1286 I1289 A1290 L1293 E1318 A1319 I1359 E1369 A1370	S1286-L1357 WeakPolarHBondContact O-CD2 3.09Å; I1289-L1357 HydrophobicContact CB-CD1 4.21Å; I1289-L1357 HydrophobicContact CB-CD2 4.01Å; I1289-L1357 HydrophobicContact CD1-CD1 4.35Å; I1289-L1357 HydrophobicContact CG2-CD1 3.65Å; I1289-L1357 HydrophobicContact CG2-CD2 3.85Å; I1289-L1357 HydrophobicContact CG2-CG 4.36Å; A1290-L1357 HydrophobicContact CB-CD2 3.96Å; L1293-L1357 HydrophobicContact CD1-CB 4.35Å; E1318-L1357 CarbonylContact O-C 3.55Å; E1318-L1357 WeakPolarHBondContact O-CA 3.49Å; A1319-L1357 HydrophobicContact CB-CG 4.1Å; L1357-I1359 HydrophobicContact CB-CG2 4.09Å; L1357-I1359 HydrophobicContact CD2-CG2 4.38Å; L1357-E1369 WeakPolarHBondContact O-CA 3.43Å; L1357-A1370 PolarHBondContact N-O 3.49Å; L1357-A1370 PolarHBondContact O-N 3.33Å
1358	T	92.1	Very high	80	Confident	8 Å²	8	39.6 Å²	39.6	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.2	164	-50.2	0	0	0	0	107.3	L1317 E1318 Y1368	L1317-T1358 HydrophobicContact CB-CG2 4.24Å; L1317-T1358 WeakPolarHBondContact CB-O 3.49Å; L1317-T1358 HydrophobicContact CD1-CG2 4.28Å; L1317-T1358 PolarHBondContact N-O 2.92Å; E1318-T1358 PolarHBondContact N-O 3.11Å; E1318-T1358 VanDerWaalsContact N-O 3.17Å; E1318-T1358 PolarHBondContact O-N 3.26Å; E1318-T1358 PolarHBondContact OE2-OG1 3.3Å; T1358-Y1368 CarbonylContact C-O 3.51Å; T1358-Y1368 VanDerWaalsContact CA-O 3.25Å; T1358-Y1368 WeakPolarHBondContact CA-O 3.27Å
1359	I	94.8	Very high	82.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.8	-178.8	64.8	173.6	0	0	0	111.2	A1290 L1293 V1294 F1297 L1313 I1316 L1357 T1361 L1367 Y1368	A1290-I1359 HydrophobicContact CB-CG2 4.06Å; L1293-I1359 HydrophobicContact CB-CD1 4.27Å; L1293-I1359 HydrophobicContact CD1-CD1 4.49Å; V1294-I1359 HydrophobicContact CG2-CD1 3.91Å; F1297-I1359 HydrophobicContact CE2-CD1 3.91Å; F1297-I1359 HydrophobicContact CZ-CD1 4.44Å; L1313-I1359 HydrophobicContact CD1-CB 4Å; L1313-I1359 HydrophobicContact CD1-CD1 4.29Å; L1313-I1359 HydrophobicContact CD1-CG2 4.2Å; I1316-I1359 HydrophobicContact CG1-CG2 4.16Å; I1316-I1359 HydrophobicContact CG2-CG2 4.38Å; L1357-I1359 HydrophobicContact CB-CG2 4.09Å; L1357-I1359 HydrophobicContact CD2-CG2 4.38Å; I1359-T1361 HydrophobicContact CD1-CG2 4.39Å; I1359-L1367 WeakPolarHBondContact O-CA 3.26Å; I1359-Y1368 HydrophobicContact CG1-CD2 4.35Å; I1359-Y1368 PolarHBondContact N-O 3.33Å; I1359-Y1368 PolarHBondContact O-N 2.95Å
1360	R	93.8	Very high	84.8	Confident	75 Å²	75	34.1 Å²	34.1	28%	0.283	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.5	168.7	-171.4	169.1	63.9	-167.1	0.7	108.6	D1314 S1315 L1317 K1365 A1366 L1367	D1314-R1360 HydrophobicContact CB-CG 4.44Å; D1314-R1360 WeakPolarHBondContact CB-O 3.15Å; D1314-R1360 PolarHBondContact N-O 3.31Å; D1314-R1360 IonicContact OD2-CZ 3.53Å; D1314-R1360 IonicContact OD2-NE 3.34Å; D1314-R1360 PolarHBondContact OD2-NE 2.66Å; D1314-R1360 IonicContact OD2-NH2 3.6Å; D1314-R1360 PolarHBondContact OD2-NH2 3.12Å; S1315-R1360 PolarHBondContact N-O 3.43Å; S1315-R1360 PolarHBondContact O-N 3.4Å; S1315-R1360 PolarHBondContact OG-NE 2.93Å; S1315-R1360 PolarHBondContact OG-NH2 3.22Å; S1315-R1360 VanDerWaalsContact OG-NH2 3.15Å; L1317-R1360 HydrophobicContact CD1-CB 4.4Å; L1317-R1360 HydrophobicContact CD2-CB 4.49Å; L1317-R1360 HydrophobicContact CG-CB 4.34Å; R1360-K1365 HydrophobicContact CG-CB 4.21Å; R1360-A1366 CarbonylContact C-O 3Å; R1360-A1366 VanDerWaalsContact CA-O 3.27Å; R1360-A1366 WeakPolarHBondContact CA-O 3.24Å; R1360-L1367 HydrophobicContact CB-CD2 3.8Å; R1360-L1367 HydrophobicContact CG-CD2 3.78Å
1361	T	94.5	Very high	86.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155.1	173.8	63.3	0	0	0	0	111.2	V1294 L1311 R1312 I1359 K1365 A1366 Y1368	V1294-T1361 HydrophobicContact CG2-CG2 4.02Å; L1311-T1361 HydrophobicContact CB-CG2 4.47Å; R1312-T1361 CarbonylContact O-C 3.59Å; R1312-T1361 WeakPolarHBondContact O-CA 3.27Å; R1312-T1361 VanDerWaalsContact O-CB 3.3Å; R1312-T1361 WeakPolarHBondContact O-CB 3.35Å; I1359-T1361 HydrophobicContact CD1-CG2 4.39Å; T1361-K1365 CarbonylContact O-C 3.5Å; T1361-K1365 VanDerWaalsContact O-CA 3.25Å; T1361-K1365 WeakPolarHBondContact O-CA 3.49Å; T1361-K1365 PolarHBondContact O-N 2.81Å; T1361-A1366 PolarHBondContact N-O 2.75Å; T1361-A1366 PolarHBondContact O-N 2.97Å; T1361-A1366 VanDerWaalsContact O-N 3.12Å; T1361-A1366 WeakPolarHBondContact OG1-CB 3.45Å; T1361-Y1368 HydrophobicContact CG2-CD2 3.86Å; T1361-Y1368 HydrophobicContact CG2-CE2 3.74Å; T1361-Y1368 VanDerWaalsContact OG1-CE2 3.23Å; T1361-Y1368 WeakPolarHBondContact OG1-CE2 3.36Å
1362	N	91.4	Very high	88.5	Confident	53 Å²	53	29.6 Å²	29.6	28%	0.283	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	146.3	162.4	-73.5	-36.6	0	0	0	109.3	L1311 R1312 D1314	L1311-N1362 CarbonylContact C-O 3.58Å; L1311-N1362 WeakPolarHBondContact CA-O 3.07Å; R1312-N1362 PolarHBondContact N-O 3.33Å; R1312-N1362 PolarHBondContact O-N 3.02Å; D1314-N1362 WeakPolarHBondContact CB-ND2 3.41Å; D1314-N1362 VanDerWaalsContact CG-ND2 3.34Å; D1314-N1362 PolarHBondContact OD1-ND2 2.92Å
1363	P	90.3	Very high	89.4	Confident	24 Å²	24	28.4 Å²	28.4	16%	0.156	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	cis	-78.5	172.9	3.3	28.6	-31.3	0	0	0	114.4	K1365 V1413 L1418	P1363-K1365 VanDerWaalsContact C-N 3.33Å; P1363-K1365 PolarHBondContact O-N 3.22Å; P1363-V1413 HydrophobicContact CB-CG1 4.46Å; P1363-V1413 HydrophobicContact CG-CB 3.93Å; P1363-V1413 HydrophobicContact CG-CG1 3.87Å; P1363-V1413 HydrophobicContact CG-CG2 4.17Å; P1363-L1418 HydrophobicContact CB-CD2 3.5Å; P1363-L1418 HydrophobicContact CG-CD2 3.21Å
1364	R	84.5	Confident	89.6	Confident	139 Å²	139	29.4 Å²	29.4	53%	0.525	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	17.1	173.5	-61.4	-71.2	-64.9	-151.4	-1.5	117.4	A1366 V1413	R1364-A1366 PolarHBondContact O-N 3.16Å; R1364-A1366 VanDerWaalsContact O-N 3.11Å; R1364-V1413 HydrophobicContact CB-CG2 4.42Å; R1364-V1413 HydrophobicContact CG-CG1 3.69Å; R1364-V1413 HydrophobicContact CG-CG2 4.44Å
1365	K	87.7	Confident	89.4	Confident	133 Å²	133	29 Å²	29	58%	0.578	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	40.9	175.1	-65.8	-176.4	-179.8	178.9	0	112.4	R1360 T1361 P1363	R1360-K1365 HydrophobicContact CG-CB 4.21Å; T1361-K1365 CarbonylContact O-C 3.5Å; T1361-K1365 VanDerWaalsContact O-CA 3.25Å; T1361-K1365 WeakPolarHBondContact O-CA 3.49Å; T1361-K1365 PolarHBondContact O-N 2.81Å; P1363-K1365 VanDerWaalsContact C-N 3.33Å; P1363-K1365 PolarHBondContact O-N 3.22Å
1366	A	88.3	Confident	88.6	Confident	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	131.3	-178.4	0	0	0	0	0	111.3	R1360 T1361 R1364 Y1368	R1360-A1366 CarbonylContact C-O 3Å; R1360-A1366 VanDerWaalsContact CA-O 3.27Å; R1360-A1366 WeakPolarHBondContact CA-O 3.24Å; T1361-A1366 PolarHBondContact N-O 2.75Å; T1361-A1366 PolarHBondContact O-N 2.97Å; T1361-A1366 VanDerWaalsContact O-N 3.12Å; T1361-A1366 WeakPolarHBondContact OG1-CB 3.45Å; R1364-A1366 PolarHBondContact O-N 3.16Å; R1364-A1366 VanDerWaalsContact O-N 3.11Å; A1366-Y1368 HydrophobicContact CB-CE2 3.79Å
1367	L	89.9	Confident	87.7	Confident	32 Å²	32	35.8 Å²	35.8	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.1	-178.6	-58.5	-174.1	0	0	0	110.9	L1317 I1359 R1360 R1390 V1391 N1392	L1317-L1367 HydrophobicContact CD1-CD2 3.51Å; I1359-L1367 WeakPolarHBondContact O-CA 3.26Å; R1360-L1367 HydrophobicContact CB-CD2 3.8Å; R1360-L1367 HydrophobicContact CG-CD2 3.78Å; L1367-R1390 WeakPolarHBondContact O-CD 3.28Å; L1367-V1391 HydrophobicContact CB-CG2 3.53Å; L1367-V1391 HydrophobicContact CD1-CG2 4.42Å; L1367-V1391 PolarHBondContact O-N 2.86Å; L1367-V1391 VanDerWaalsContact O-N 3.1Å; L1367-N1392 HydrophobicContact CD1-CB 4.43Å; L1367-N1392 PolarHBondContact N-OD1 3.41Å; L1367-N1392 VanDerWaalsContact N-OD1 3.15Å
1368	Y	91.6	Very high	86.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.2	177.6	-57.4	-72.8	0	0	0	110.7	F1297 L1311 T1358 I1359 T1361 A1366 V1388 S1389 R1390 I1410 W1411	F1297-Y1368 HydrophobicContact CD2-CD2 4.35Å; F1297-Y1368 HydrophobicContact CD2-CE2 4.37Å; F1297-Y1368 HydrophobicContact CE2-CD1 4.42Å; F1297-Y1368 AromaticContact CE2-CD2 3.72Å; F1297-Y1368 HydrophobicContact CE2-CD2 3.72Å; F1297-Y1368 HydrophobicContact CE2-CE2 4.18Å; F1297-Y1368 AromaticContact CE2-CG 3.85Å; F1297-Y1368 HydrophobicContact CE2-CG 3.85Å; F1297-Y1368 HydrophobicContact CZ-CG 4.35Å; L1311-Y1368 HydrophobicContact CD1-CE2 4.05Å; T1358-Y1368 CarbonylContact C-O 3.51Å; T1358-Y1368 VanDerWaalsContact CA-O 3.25Å; T1358-Y1368 WeakPolarHBondContact CA-O 3.27Å; I1359-Y1368 HydrophobicContact CG1-CD2 4.35Å; I1359-Y1368 PolarHBondContact N-O 3.33Å; I1359-Y1368 PolarHBondContact O-N 2.95Å; T1361-Y1368 HydrophobicContact CG2-CD2 3.86Å; T1361-Y1368 HydrophobicContact CG2-CE2 3.74Å; T1361-Y1368 VanDerWaalsContact OG1-CE2 3.23Å; T1361-Y1368 WeakPolarHBondContact OG1-CE2 3.36Å; A1366-Y1368 HydrophobicContact CB-CE2 3.79Å; Y1368-V1388 HydrophobicContact CD1-CG1 4.29Å; Y1368-S1389 CarbonylContact C-O 3.31Å; Y1368-S1389 WeakPolarHBondContact CA-O 3.33Å; Y1368-R1390 PolarHBondContact OH-NH1 2.77Å; Y1368-I1410 HydrophobicContact CD1-CG2 4.26Å; Y1368-I1410 HydrophobicContact CE1-CG2 3.97Å; Y1368-I1410 WeakPolarHBondContact CE1-O 3.29Å; Y1368-I1410 PolarHBondContact OH-O 2.71Å; Y1368-W1411 AromaticContact CE1-CD1 3.92Å; Y1368-W1411 WeakPolarHBondContact OH-CA 3.33Å; Y1368-W1411 PolarHBondContact OH-O 3.3Å
1369	E	90.7	Very high	86.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.2	165.5	-170.1	172.1	102.9	0	0	107.6	R1180 K1186 R1190 H1269 R1356 L1357 S1389 V1391	R1180-E1369 IonicContact CZ-OE1 2.83Å; R1180-E1369 IonicContact NH1-OE1 2.6Å; R1180-E1369 IonicContact NH1-OE2 3.18Å; R1180-E1369 IonicContact NH2-OE1 3.5Å; R1180-E1369 PolarHBondContact NH2-OE1 3.16Å; R1180-E1369 IonicContact NH2-OE2 3.7Å; K1186-E1369 WeakPolarHBondContact CD-OE2 3.29Å; K1186-E1369 IonicContact NZ-OE2 2.9Å; K1186-E1369 PolarHBondContact NZ-OE2 3.03Å; R1190-E1369 IonicContact NH2-OE1 2.73Å; R1190-E1369 PolarHBondContact NH2-OE1 2.98Å; H1269-E1369 PolarHBondContact CE1-O 3.36Å; R1356-E1369 HydrophobicContact CG-CG 3.96Å; R1356-E1369 IonicContact NH1-OE1 2.99Å; L1357-E1369 WeakPolarHBondContact O-CA 3.43Å; E1369-S1389 PolarHBondContact N-O 3.24Å; E1369-S1389 PolarHBondContact O-N 3.3Å; E1369-V1391 HydrophobicContact CB-CG1 3.82Å
1370	A	90.6	Very high	85.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.1	-178.9	0	0	0	0	0	110.4	L1293 R1356 L1357 V1388	L1293-A1370 HydrophobicContact CD1-CB 3.83Å; L1293-A1370 HydrophobicContact CD2-CB 3.64Å; L1293-A1370 HydrophobicContact CG-CB 4.41Å; R1356-A1370 CarbonylContact C-O 3.28Å; R1356-A1370 VanDerWaalsContact CA-O 3.25Å; R1356-A1370 WeakPolarHBondContact CA-O 3.33Å; L1357-A1370 PolarHBondContact N-O 3.49Å; L1357-A1370 PolarHBondContact O-N 3.33Å; A1370-V1388 HydrophobicContact CB-CG1 4.36Å; A1370-V1388 HydrophobicContact CB-CG2 4Å
1371	T	88.7	Confident	85.5	Confident	8 Å²	8	46 Å²	46	5%	0.049	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.4	170.6	-62.1	0	0	0	0	109.5	P1268 H1269 W1276 Y1355 S1387	P1268-T1371 HydrophobicContact CB-CG2 4.32Å; H1269-T1371 WeakPolarHBondContact ND1-CB 3.47Å; H1269-T1371 PolarHBondContact ND1-OG1 3.38Å; W1276-T1371 HydrophobicContact CH2-CG2 3.74Å; Y1355-T1371 CarbonylContact O-C 3.47Å; Y1355-T1371 VanDerWaalsContact O-CA 3.23Å; Y1355-T1371 WeakPolarHBondContact O-CA 3.36Å; T1371-S1387 PolarHBondContact O-OG 2.86Å
1372	V	89.4	Confident	85.1	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.2	177.1	-57.6	0	0	0	0	109.9	I1289 L1293 S1354 Y1355 L1381 L1382 I1383	I1289-V1372 HydrophobicContact CD1-CG2 4Å; I1289-V1372 HydrophobicContact CG1-CG2 4.28Å; I1289-V1372 HydrophobicContact CG2-CG1 4.19Å; I1289-V1372 HydrophobicContact CG2-CG2 3.63Å; L1293-V1372 HydrophobicContact CD2-CG1 3.82Å; L1293-V1372 HydrophobicContact CG-CG1 4.31Å; S1354-V1372 CarbonylContact C-O 3.58Å; S1354-V1372 WeakPolarHBondContact CA-O 3.45Å; Y1355-V1372 PolarHBondContact N-O 2.98Å; Y1355-V1372 PolarHBondContact O-N 2.87Å; V1372-L1381 HydrophobicContact CB-CD1 4.22Å; V1372-L1381 HydrophobicContact CB-CG 4.5Å; V1372-L1381 HydrophobicContact CG2-CD1 3.79Å; V1372-L1381 HydrophobicContact CG2-CG 4.45Å; V1372-L1382 WeakPolarHBondContact CA-O 3.21Å; V1372-I1383 HydrophobicContact CG1-CB 4.43Å; V1372-I1383 HydrophobicContact CG1-CG1 3.88Å; V1372-I1383 HydrophobicContact CG1-CG2 4.44Å
1373	L	84.2	Confident	85	Confident	48 Å²	48	45 Å²	45	25%	0.251	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126	177.9	-70	172.2	0	0	0	109.7	P1268 D1353 S1354 L1381 L1382	P1268-L1373 HydrophobicContact CB-CD2 4.29Å; P1268-L1373 HydrophobicContact CG-CD1 4.23Å; P1268-L1373 HydrophobicContact CG-CD2 4Å; P1268-L1373 HydrophobicContact CG-CG 4.49Å; D1353-L1373 CarbonylContact O-C 3.52Å; S1354-L1373 WeakPolarHBondContact OG-CD2 3.44Å; L1373-L1381 CarbonylContact O-C 3.59Å; L1373-L1382 HydrophobicContact CB-CB 4.17Å; L1373-L1382 HydrophobicContact CB-CD1 4.37Å; L1373-L1382 PolarHBondContact N-O 3.23Å; L1373-L1382 WeakPolarHBondContact O-CB 3.37Å; L1373-L1382 PolarHBondContact O-N 3.09Å
1374	Y	83.8	Confident	84.7	Confident	40 Å²	40	45.7 Å²	45.7	16%	0.157	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	105	177.2	175.4	-131.1	0	0	0	110.2	P812 Y1352 D1353 Y1355 V1376 V1380 L1381	P812-Y1374 HydrophobicContact CB-CD2 4.07Å; P812-Y1374 HydrophobicContact CB-CE2 3.42Å; P812-Y1374 VanDerWaalsContact CB-CE2 3.42Å; P812-Y1374 HydrophobicContact CG-CD2 4.2Å; P812-Y1374 HydrophobicContact CG-CE2 3.81Å; Y1352-Y1374 CarbonylContact C-O 3.48Å; Y1352-Y1374 VanDerWaalsContact CA-O 3.22Å; Y1352-Y1374 WeakPolarHBondContact CA-O 3.46Å; D1353-Y1374 HydrophobicContact CB-CD1 4.34Å; D1353-Y1374 PolarHBondContact N-O 3.07Å; D1353-Y1374 PolarHBondContact O-N 3.35Å; Y1355-Y1374 HydrophobicContact CE2-CD1 4.14Å; Y1355-Y1374 HydrophobicContact CE2-CG 4.31Å; Y1374-V1376 HydrophobicContact CD1-CG2 3.81Å; Y1374-V1376 HydrophobicContact CE1-CB 4.28Å; Y1374-V1376 HydrophobicContact CE1-CG1 4.48Å; Y1374-V1376 HydrophobicContact CE1-CG2 3.8Å; Y1374-V1376 PolarHBondContact O-N 3.47Å; Y1374-V1376 VanDerWaalsContact O-N 3.1Å; Y1374-V1380 CarbonylContact C-O 3.6Å; Y1374-V1380 WeakPolarHBondContact CA-O 3.26Å; Y1374-V1380 WeakPolarHBondContact CD2-O 3.4Å; Y1374-L1381 HydrophobicContact CD2-CD1 4.47Å
1375	D	78.6	Confident	84.7	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	98.1	168.3	-168.5	-33.1	0	0	0	109.1	P1351 Y1352 T1377 K1378 K1379 V1380	P1351-D1375 CarbonylContact O-C 3.27Å; P1351-D1375 WeakPolarHBondContact O-CA 3.23Å; Y1352-D1375 HydrophobicContact CD1-CB 3.76Å; Y1352-D1375 HydrophobicContact CE1-CB 3.57Å; D1375-T1377 PolarHBondContact O-N 3.12Å; D1375-T1377 WeakPolarHBondContact OD1-CA 3.21Å; D1375-T1377 WeakPolarHBondContact OD1-CB 3.42Å; D1375-T1377 PolarHBondContact OD1-N 3Å; D1375-K1378 HydrophobicContact CB-CB 4.18Å; D1375-K1378 PolarHBondContact O-N 3.2Å; D1375-K1378 PolarHBondContact OD1-N 3.1Å; D1375-K1378 WeakPolarHBondContact OD2-CD 3.16Å; D1375-K1378 WeakPolarHBondContact OD2-CE 3.38Å; D1375-K1378 VanDerWaalsContact OD2-CG 3.31Å; D1375-K1378 WeakPolarHBondContact OD2-CG 3.49Å; D1375-K1378 IonicContact OD2-NZ 3.71Å; D1375-K1379 VanDerWaalsContact O-CA 3.22Å; D1375-K1379 WeakPolarHBondContact O-CA 3.36Å; D1375-K1379 PolarHBondContact O-N 3.34Å; D1375-V1380 HydrophobicContact CB-CB 4.42Å; D1375-V1380 PolarHBondContact N-O 3.13Å; D1375-V1380 PolarHBondContact O-N 3.1Å; D1375-V1380 VanDerWaalsContact O-N 3.07Å
1376	V	72.2	Confident	84	Confident	67 Å²	67	35.4 Å²	35.4	41%	0.406	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.9	178.4	-174.2	0	0	0	0	111.1	P1351 Y1374	P1351-V1376 WeakPolarHBondContact O-CG2 2.92Å; P1351-V1376 PolarHBondContact O-N 2.87Å; Y1374-V1376 HydrophobicContact CD1-CG2 3.81Å; Y1374-V1376 HydrophobicContact CE1-CB 4.28Å; Y1374-V1376 HydrophobicContact CE1-CG1 4.48Å; Y1374-V1376 HydrophobicContact CE1-CG2 3.8Å; Y1374-V1376 PolarHBondContact O-N 3.47Å; Y1374-V1376 VanDerWaalsContact O-N 3.1Å
1377	T	71.3	Confident	83.5	Confident	116 Å²	116	35.8 Å²	35.8	71%	0.712	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-45.4	-176.8	-55.9	0	0	0	0	111.1	P1351 D1375 K1379	P1351-T1377 WeakPolarHBondContact CB-OG1 3.33Å; D1375-T1377 PolarHBondContact O-N 3.12Å; D1375-T1377 WeakPolarHBondContact OD1-CA 3.21Å; D1375-T1377 WeakPolarHBondContact OD1-CB 3.42Å; D1375-T1377 PolarHBondContact OD1-N 3Å; T1377-K1379 VanDerWaalsContact C-N 3.32Å
1378	K	75.4	Confident	83.4	Confident	141 Å²	141	34.6 Å²	34.6	61%	0.613	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.4	177.2	-62.4	-178.6	-168.6	162.4	0	113.3	D1375 V1380	D1375-K1378 HydrophobicContact CB-CB 4.18Å; D1375-K1378 PolarHBondContact O-N 3.2Å; D1375-K1378 PolarHBondContact OD1-N 3.1Å; D1375-K1378 WeakPolarHBondContact OD2-CD 3.16Å; D1375-K1378 WeakPolarHBondContact OD2-CE 3.38Å; D1375-K1378 VanDerWaalsContact OD2-CG 3.31Å; D1375-K1378 WeakPolarHBondContact OD2-CG 3.49Å; D1375-K1378 IonicContact OD2-NZ 3.71Å; K1378-V1380 VanDerWaalsContact C-N 3.27Å; K1378-V1380 HydrophobicContact CB-CB 4.27Å; K1378-V1380 HydrophobicContact CB-CG2 3.76Å; K1378-V1380 PolarHBondContact O-N 3.41Å
1379	K	79	Confident	83.1	Confident	140 Å²	140	34.7 Å²	34.7	61%	0.609	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	45.9	-167.4	-58	-178.8	178.3	-179.9	0	111.4	P812 F813 D1375 T1377	P812-K1379 CarbonylContact C-O 3.54Å; P812-K1379 VanDerWaalsContact CA-O 3.23Å; P812-K1379 WeakPolarHBondContact CA-O 3.42Å; P812-K1379 HydrophobicContact CB-CB 4.43Å; P812-K1379 WeakPolarHBondContact CB-O 3.39Å; F813-K1379 PolarHBondContact N-O 3.29Å; D1375-K1379 VanDerWaalsContact O-CA 3.22Å; D1375-K1379 WeakPolarHBondContact O-CA 3.36Å; D1375-K1379 PolarHBondContact O-N 3.34Å; T1377-K1379 VanDerWaalsContact C-N 3.32Å
1380	V	83.9	Confident	82.9	Confident	19 Å²	19	35.7 Å²	35.7	12%	0.115	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.3	180	177.5	0	0	0	0	110.3	F813 E815 Y1374 D1375 K1378 L1382	F813-V1380 HydrophobicContact CB-CG2 4.48Å; F813-V1380 HydrophobicContact CD1-CG1 4.45Å; F813-V1380 HydrophobicContact CD1-CG2 4.35Å; F813-V1380 CarbonylContact O-C 3.56Å; F813-V1380 VanDerWaalsContact O-CA 3.26Å; F813-V1380 WeakPolarHBondContact O-CA 3.11Å; E815-V1380 HydrophobicContact CB-CG1 3.91Å; Y1374-V1380 CarbonylContact C-O 3.6Å; Y1374-V1380 WeakPolarHBondContact CA-O 3.26Å; Y1374-V1380 WeakPolarHBondContact CD2-O 3.4Å; D1375-V1380 HydrophobicContact CB-CB 4.42Å; D1375-V1380 PolarHBondContact N-O 3.13Å; D1375-V1380 PolarHBondContact O-N 3.1Å; D1375-V1380 VanDerWaalsContact O-N 3.07Å; K1378-V1380 VanDerWaalsContact C-N 3.27Å; K1378-V1380 HydrophobicContact CB-CB 4.27Å; K1378-V1380 HydrophobicContact CB-CG2 3.76Å; K1378-V1380 PolarHBondContact O-N 3.41Å; V1380-L1382 HydrophobicContact CG1-CD2 3.74Å; V1380-L1382 HydrophobicContact CG1-CG 4.31Å
1381	L	89.5	Confident	82.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.2	168.7	-171.2	78.1	0	0	0	109.2	P812 F813 V814 E815 F1288 I1289 V1372 L1373 Y1374 I1383	P812-L1381 HydrophobicContact CG-CB 4.33Å; F813-L1381 PolarHBondContact O-N 3.02Å; V814-L1381 WeakPolarHBondContact CA-O 3.32Å; V814-L1381 HydrophobicContact CG2-CB 4.36Å; V814-L1381 HydrophobicContact CG2-CD2 4.37Å; E815-L1381 PolarHBondContact N-O 3.2Å; F1288-L1381 HydrophobicContact CE1-CD2 3.94Å; I1289-L1381 HydrophobicContact CD1-CD1 4.49Å; I1289-L1381 HydrophobicContact CG1-CD1 4.31Å; I1289-L1381 HydrophobicContact CG1-CD2 4.09Å; V1372-L1381 HydrophobicContact CB-CD1 4.22Å; V1372-L1381 HydrophobicContact CB-CG 4.5Å; V1372-L1381 HydrophobicContact CG2-CD1 3.79Å; V1372-L1381 HydrophobicContact CG2-CG 4.45Å; L1373-L1381 CarbonylContact O-C 3.59Å; Y1374-L1381 HydrophobicContact CD2-CD1 4.47Å; L1381-I1383 HydrophobicContact CD2-CD1 4.39Å; L1381-I1383 HydrophobicContact CD2-CG1 4.37Å
1382	L	85.9	Confident	82.1	Confident	31 Å²	31	37.4 Å²	37.4	16%	0.162	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.9	174.7	-55.6	174.5	0	0	0	110	E815 L817 Y1352 V1372 L1373 V1380	E815-L1382 HydrophobicContact CB-CD2 3.95Å; E815-L1382 HydrophobicContact CG-CD2 4.15Å; E815-L1382 WeakPolarHBondContact O-CA 3.37Å; E815-L1382 WeakPolarHBondContact OE2-CD2 3.46Å; L817-L1382 HydrophobicContact CD1-CD2 4.32Å; Y1352-L1382 HydrophobicContact CE1-CD1 4.14Å; V1372-L1382 WeakPolarHBondContact CA-O 3.21Å; L1373-L1382 HydrophobicContact CB-CB 4.17Å; L1373-L1382 HydrophobicContact CB-CD1 4.37Å; L1373-L1382 PolarHBondContact N-O 3.23Å; L1373-L1382 WeakPolarHBondContact O-CB 3.37Å; L1373-L1382 PolarHBondContact O-N 3.09Å; V1380-L1382 HydrophobicContact CG1-CD2 3.74Å; V1380-L1382 HydrophobicContact CG1-CG 4.31Å
1383	I	90	Very high	81.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.1	173	-58.2	-178.6	0	0	0	108	V814 E815 V816 L817 E1292 L1293 A1296 V1372 L1381	V814-I1383 HydrophobicContact CG1-CD1 3.77Å; V814-I1383 HydrophobicContact CG1-CG1 4.23Å; E815-I1383 PolarHBondContact O-N 3.36Å; V816-I1383 CarbonylContact C-O 3.5Å; V816-I1383 WeakPolarHBondContact CA-O 3.29Å; V816-I1383 HydrophobicContact CG2-CB 4.39Å; L817-I1383 PolarHBondContact N-O 3.01Å; E1292-I1383 HydrophobicContact CB-CD1 4.01Å; L1293-I1383 HydrophobicContact CD2-CG2 3.91Å; A1296-I1383 HydrophobicContact CB-CD1 4.24Å; A1296-I1383 HydrophobicContact CB-CG2 4.12Å; V1372-I1383 HydrophobicContact CG1-CB 4.43Å; V1372-I1383 HydrophobicContact CG1-CG1 3.88Å; V1372-I1383 HydrophobicContact CG1-CG2 4.44Å; L1381-I1383 HydrophobicContact CD2-CD1 4.39Å; L1381-I1383 HydrophobicContact CD2-CG1 4.37Å
1384	D	83.5	Confident	80.9	Confident	39 Å²	39	41.6 Å²	41.6	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107.5	171.5	-179.8	3.9	0	0	0	109.7	D1386 S1387	D1384-D1386 PolarHBondContact O-N 2.87Å; D1384-D1386 WeakPolarHBondContact OD1-CB 3.04Å; D1384-D1386 PolarHBondContact OD1-N 2.8Å; D1384-S1387 PolarHBondContact O-N 2.73Å; D1384-S1387 PolarHBondContact O-OG 2.83Å
1385	L	83.8	Confident	80.6	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24.7	179.7	-73.1	173.9	0	0	0	113	V816 L817 A1296 F1297 R1300 S1387 V1388 W1411	V816-L1385 HydrophobicContact CG1-CD1 3.69Å; V816-L1385 HydrophobicContact CG1-CG 3.83Å; L817-L1385 PolarHBondContact O-N 3.26Å; L817-L1385 VanDerWaalsContact O-N 3.1Å; A1296-L1385 HydrophobicContact CB-CD2 4.14Å; F1297-L1385 HydrophobicContact CD1-CD2 3.98Å; F1297-L1385 HydrophobicContact CE1-CD2 4.32Å; R1300-L1385 HydrophobicContact CB-CD1 3.85Å; R1300-L1385 HydrophobicContact CG-CD1 4.11Å; L1385-S1387 PolarHBondContact O-N 3.41Å; L1385-V1388 PolarHBondContact O-N 2.97Å; L1385-W1411 HydrophobicContact CB-CZ2 4.44Å; L1385-W1411 HydrophobicContact CD2-CZ2 4.35Å; L1385-W1411 WeakPolarHBondContact O-CZ2 3.36Å
1386	D	73.9	Confident	80.8	Confident	49 Å²	49	45.8 Å²	45.8	26%	0.262	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-78.1	-12.9	179.7	-57.3	-42	0	0	0	112	K819 D1384	K819-D1386 WeakPolarHBondContact CB-OD2 3.22Å; K819-D1386 PolarHBondContact N-OD2 3.21Å; D1384-D1386 PolarHBondContact O-N 2.87Å; D1384-D1386 WeakPolarHBondContact OD1-CB 3.04Å; D1384-D1386 PolarHBondContact OD1-N 2.8Å
1387	S	77.8	Confident	81.4	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.063	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-91.4	0.6	176.8	77.6	0	0	0	0	114.2	H1269 T1371 D1384 L1385	H1269-S1387 PolarHBondContact CD2-O 2.83Å; H1269-S1387 PolarHBondContact CE1-O 2.69Å; H1269-S1387 PolarHBondContact ND1-O 3.48Å; H1269-S1387 PolarHBondContact NE2-O 2.9Å; T1371-S1387 PolarHBondContact O-OG 2.86Å; D1384-S1387 PolarHBondContact O-N 2.73Å; D1384-S1387 PolarHBondContact O-OG 2.83Å; L1385-S1387 PolarHBondContact O-N 3.41Å
1388	V	87.4	Confident	82.3	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.042	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-85.2	121.8	-175.9	179.8	0	0	0	0	110.3	F1297 Y1368 A1370 L1385 W1411	F1297-V1388 HydrophobicContact CE1-CG1 4.03Å; F1297-V1388 HydrophobicContact CE1-CG2 3.96Å; F1297-V1388 HydrophobicContact CZ-CG1 3.85Å; F1297-V1388 HydrophobicContact CZ-CG2 4.44Å; Y1368-V1388 HydrophobicContact CD1-CG1 4.29Å; A1370-V1388 HydrophobicContact CB-CG1 4.36Å; A1370-V1388 HydrophobicContact CB-CG2 4Å; L1385-V1388 PolarHBondContact O-N 2.97Å; V1388-W1411 HydrophobicContact CB-CZ2 4.14Å; V1388-W1411 HydrophobicContact CG1-CZ2 4.49Å
1389	S	86	Confident	82.8	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.7	178.2	-65.3	0	0	0	0	111.8	H1269 W1270 Y1368 E1369	H1269-S1389 PolarHBondContact NE2-OG 3.42Å; W1270-S1389 WeakPolarHBondContact CH2-OG 3.46Å; Y1368-S1389 CarbonylContact C-O 3.31Å; Y1368-S1389 WeakPolarHBondContact CA-O 3.33Å; E1369-S1389 PolarHBondContact N-O 3.24Å; E1369-S1389 PolarHBondContact O-N 3.3Å
1390	R	85.4	Confident	83.3	Confident	20 Å²	20	28.9 Å²	28.9	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.5	162.6	-172.5	87.9	176.3	-136.7	-9.3	109.9	L1367 Y1368 N1392 Y1394 I1410	L1367-R1390 WeakPolarHBondContact O-CD 3.28Å; Y1368-R1390 PolarHBondContact OH-NH1 2.77Å; R1390-N1392 WeakPolarHBondContact CG-O 3.49Å; R1390-N1392 PolarHBondContact NE-OD1 2.76Å; R1390-Y1394 HydrophobicContact CB-CD1 4.28Å; R1390-Y1394 HydrophobicContact CB-CE1 3.24Å; R1390-Y1394 VanDerWaalsContact CB-OH 3.25Å; R1390-Y1394 WeakPolarHBondContact CB-OH 3.47Å; R1390-Y1394 HydrophobicContact CG-CD1 3.77Å; R1390-Y1394 HydrophobicContact CG-CE1 3.21Å; R1390-I1410 HydrophobicContact CB-CG2 4.36Å; R1390-I1410 PolarHBondContact NH1-O 3.21Å
1391	V	83.6	Confident	83.5	Confident	14 Å²	14	28 Å²	28	9%	0.085	18%	0.176	C	C	.	.			trans	-99.9	9.9	-174.7	-59.6	0	0	0	0	113.8	L1367 E1369	L1367-V1391 HydrophobicContact CB-CG2 3.53Å; L1367-V1391 HydrophobicContact CD1-CG2 4.42Å; L1367-V1391 PolarHBondContact O-N 2.86Å; L1367-V1391 VanDerWaalsContact O-N 3.1Å; E1369-V1391 HydrophobicContact CB-CG1 3.82Å
1392	N	80.2	Confident	83.1	Confident	32 Å²	32	30.9 Å²	30.9	17%	0.171	19%	0.19	C	C	.	.	S	Bend	trans	-138.9	150.7	168.7	68.7	-25.2	0	0	0	111.1	L1367 R1390 Y1394	L1367-N1392 HydrophobicContact CD1-CB 4.43Å; L1367-N1392 PolarHBondContact N-OD1 3.41Å; L1367-N1392 VanDerWaalsContact N-OD1 3.15Å; R1390-N1392 WeakPolarHBondContact CG-O 3.49Å; R1390-N1392 PolarHBondContact NE-OD1 2.76Å; N1392-Y1394 PolarHBondContact O-N 3.13Å
1393	A	74.2	Confident	82.5	Confident	70 Å²	70	33.9 Å²	33.9	58%	0.579	21%	0.213	S	C	*	.			trans	-57.4	139	-176.8	0	0	0	0	0	112.9	G1395	A1393-G1395 VanDerWaalsContact C-N 3.34Å
1394	Y	73.4	Confident	81.9	Confident	66 Å²	66	39 Å²	39	26%	0.259	24%	0.236	S	C	.	.			trans	-69.4	-32.9	174.9	-43.6	-71.7	0	0	0	112.3	R1390 N1392 A1397 A1409 I1410	R1390-Y1394 HydrophobicContact CB-CD1 4.28Å; R1390-Y1394 HydrophobicContact CB-CE1 3.24Å; R1390-Y1394 VanDerWaalsContact CB-OH 3.25Å; R1390-Y1394 WeakPolarHBondContact CB-OH 3.47Å; R1390-Y1394 HydrophobicContact CG-CD1 3.77Å; R1390-Y1394 HydrophobicContact CG-CE1 3.21Å; N1392-Y1394 PolarHBondContact O-N 3.13Å; Y1394-A1397 VanDerWaalsContact O-CB 3.23Å; Y1394-A1397 WeakPolarHBondContact O-CB 3.48Å; Y1394-A1397 PolarHBondContact O-N 3.42Å; Y1394-A1409 WeakPolarHBondContact CD1-O 3.33Å; Y1394-I1410 HydrophobicContact CE1-CB 4.39Å; Y1394-I1410 HydrophobicContact CE1-CG1 4.33Å
1395	G	78	Confident	81.6	Confident	65 Å²	65	38 Å²	38	67%	0.67	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	-138.1	-170	0	0	0	0	0	111.4	A1393 A1397	A1393-G1395 VanDerWaalsContact C-N 3.34Å; G1395-A1397 VanDerWaalsContact C-N 3.31Å; G1395-A1397 PolarHBondContact O-N 2.79Å
1396	S	81.6	Confident	81.2	Confident	68 Å²	68	38.6 Å²	38.6	48%	0.476	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	1.9	176.8	59.4	0	0	0	0	114.6	S1398 H1399	S1396-S1398 PolarHBondContact O-N 3.41Å; S1396-H1399 PolarHBondContact O-N 3.44Å; S1396-H1399 PolarHBondContact O-ND1 3.28Å
1397	A	86.4	Confident	81.4	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.4	-171.9	0	0	0	0	0	113.5	Y1394 G1395 C1414	Y1394-A1397 VanDerWaalsContact O-CB 3.23Å; Y1394-A1397 WeakPolarHBondContact O-CB 3.48Å; Y1394-A1397 PolarHBondContact O-N 3.42Å; G1395-A1397 VanDerWaalsContact C-N 3.31Å; G1395-A1397 PolarHBondContact O-N 2.79Å; A1397-C1414 PolarHBondContact O-N 2.83Å; A1397-C1414 PolarHBondContact O-SG 2.82Å
1398	S	89.3	Confident	81.7	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	11.4	-177.7	49.1	0	0	0	0	114.1	S1396 C1400 I1401 M1402 A1409 C1412 C1414	S1396-S1398 PolarHBondContact O-N 3.41Å; S1398-C1400 VanDerWaalsContact C-N 3.27Å; S1398-C1400 PolarHBondContact O-N 3.15Å; S1398-C1400 VanDerWaalsContact O-N 3.13Å; S1398-I1401 WeakPolarHBondContact O-CG2 3.42Å; S1398-I1401 PolarHBondContact O-N 3.21Å; S1398-M1402 WeakPolarHBondContact O-CG 3.23Å; S1398-M1402 PolarHBondContact O-N 3.43Å; S1398-A1409 WeakPolarHBondContact CB-O 3.49Å; S1398-C1412 WeakPolarHBondContact CB-O 3.33Å; S1398-C1414 VanDerWaalsContact C-SG 3.6Å
1399	H	86.6	Confident	81.6	Confident	72 Å²	72	37.8 Å²	37.8	33%	0.333	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.4	-171.4	78.2	-67	0	0	0	114.6	S1396 I1401 M1402 D1416 R1417	S1396-H1399 PolarHBondContact O-N 3.44Å; S1396-H1399 PolarHBondContact O-ND1 3.28Å; H1399-I1401 PolarHBondContact O-N 3.25Å; H1399-M1402 PolarHBondContact O-N 3.48Å; H1399-D1416 IonicContact CE1-OD1 3.24Å; H1399-D1416 PolarHBondContact CE1-OD1 3.3Å; H1399-D1416 VanDerWaalsContact CE1-OD1 3.27Å; H1399-D1416 IonicContact CE1-OD2 2.91Å; H1399-D1416 PolarHBondContact CE1-OD2 3.47Å; H1399-D1416 IonicContact NE2-OD2 2.63Å; H1399-D1416 PolarHBondContact NE2-OD2 3.08Å; H1399-R1417 PolarHBondContact CE1-NE 2.98Å; H1399-R1417 VanDerWaalsContact CE1-NE 3.26Å; H1399-R1417 PolarHBondContact CE1-NH2 3.32Å; H1399-R1417 VanDerWaalsContact CE1-NH2 3.35Å; H1399-R1417 PolarHBondContact ND1-NE 3.3Å; H1399-R1417 PolarHBondContact NE2-NH2 3.42Å
1400	C	89.9	Confident	81.7	Confident	27 Å²	27	39 Å²	39	18%	0.182	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.4	178.6	65.5	0	0	0	0	113.8	S1398 C1414	S1398-C1400 VanDerWaalsContact C-N 3.27Å; S1398-C1400 PolarHBondContact O-N 3.15Å; S1398-C1400 VanDerWaalsContact O-N 3.13Å; C1400-C1414 HydrophobicContact CB-CB 3.77Å; C1400-C1414 WeakPolarHBondContact CB-SG 3.22Å; C1400-C1414 PolarHBondContact N-SG 3.35Å; C1400-C1414 VanDerWaalsContact SG-CA 3.6Å; C1400-C1414 WeakPolarHBondContact SG-CB 3.43Å; C1400-C1414 CovalentContact SG-SG 2.02Å; C1400-C1414 PolarHBondContact SG-SG 3.02Å
1401	I	87.4	Confident	81.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-15.1	-177.9	-153.2	64.7	0	0	0	113.1	E1304 L1307 S1398 H1399 S1403 K1404 D1405 L1408 A1409 C1412	E1304-I1401 HydrophobicContact CB-CD1 3.94Å; E1304-I1401 HydrophobicContact CG-CD1 3.72Å; L1307-I1401 HydrophobicContact CD1-CD1 4.06Å; S1398-I1401 WeakPolarHBondContact O-CG2 3.42Å; S1398-I1401 PolarHBondContact O-N 3.21Å; H1399-I1401 PolarHBondContact O-N 3.25Å; I1401-S1403 PolarHBondContact O-N 2.92Å; I1401-S1403 VanDerWaalsContact O-N 3.12Å; I1401-K1404 HydrophobicContact CD1-CB 3.87Å; I1401-K1404 HydrophobicContact CD1-CD 4.36Å; I1401-K1404 PolarHBondContact O-N 3.41Å; I1401-D1405 HydrophobicContact CG1-CB 4.26Å; I1401-D1405 CarbonylContact O-C 3.57Å; I1401-D1405 PolarHBondContact O-N 3.07Å; I1401-L1408 HydrophobicContact CB-CB 4.47Å; I1401-L1408 HydrophobicContact CD1-CD1 4Å; I1401-L1408 HydrophobicContact CG1-CB 3.61Å; I1401-L1408 HydrophobicContact CG1-CD1 3.89Å; I1401-L1408 HydrophobicContact CG1-CG 4.37Å; I1401-L1408 HydrophobicContact CG2-CB 4.02Å; I1401-A1409 HydrophobicContact CG2-CB 4.37Å; I1401-C1412 HydrophobicContact CB-CB 4.24Å; I1401-C1412 HydrophobicContact CG2-CB 3.65Å
1402	M	80.1	Confident	82.4	Confident	62 Å²	62	37.6 Å²	37.6	31%	0.305	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-36.7	-176.9	-68.1	-59.2	-68.7	0	0	113.7	Y1065 S1398 H1399 A1409	Y1065-M1402 HydrophobicContact CE1-CE 4.42Å; S1398-M1402 WeakPolarHBondContact O-CG 3.23Å; S1398-M1402 PolarHBondContact O-N 3.43Å; H1399-M1402 PolarHBondContact O-N 3.48Å; M1402-A1409 HydrophobicContact SD-CB 3.51Å; M1402-A1409 VanDerWaalsContact SD-CB 3.51Å
1403	S	74.2	Confident	82.9	Confident	93 Å²	93	36.1 Å²	36.1	65%	0.65	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.1	178.7	58.1	0	0	0	0	114.2	S1027 I1401	S1027-S1403 WeakPolarHBondContact CA-O 3.49Å; I1401-S1403 PolarHBondContact O-N 2.92Å; I1401-S1403 VanDerWaalsContact O-N 3.12Å
1404	K	77.5	Confident	83.8	Confident	108 Å²	108	32.8 Å²	32.8	47%	0.47	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-45.4	-177.2	-78.8	-170.5	168	-159.1	0	113.8	E1304 L1307 I1401	E1304-K1404 IonicContact OE2-NZ 3.01Å; L1307-K1404 HydrophobicContact CD1-CD 3.59Å; I1401-K1404 HydrophobicContact CD1-CB 3.87Å; I1401-K1404 HydrophobicContact CD1-CD 4.36Å; I1401-K1404 PolarHBondContact O-N 3.41Å
1405	D	77.9	Confident	84.7	Confident	19 Å²	19	34.9 Å²	34.9	10%	0.102	20%	0.2	C	C	.	.			trans	-157.5	94.6	177.5	-173.7	-11.9	0	0	0	108.9	R1300 I1401 Y1407 L1408	R1300-D1405 IonicContact CZ-OD2 3.36Å; R1300-D1405 IonicContact NH1-OD2 2.81Å; R1300-D1405 PolarHBondContact NH1-OD2 3.45Å; R1300-D1405 VanDerWaalsContact NH1-OD2 3.09Å; R1300-D1405 IonicContact NH2-OD1 2.88Å; R1300-D1405 IonicContact NH2-OD2 2.77Å; R1300-D1405 PolarHBondContact NH2-OD2 2.94Å; I1401-D1405 HydrophobicContact CG1-CB 4.26Å; I1401-D1405 CarbonylContact O-C 3.57Å; I1401-D1405 PolarHBondContact O-N 3.07Å; D1405-Y1407 PolarHBondContact O-N 2.8Å; D1405-Y1407 VanDerWaalsContact O-N 3.15Å; D1405-Y1407 WeakPolarHBondContact OD1-CB 3.48Å; D1405-Y1407 PolarHBondContact OD1-N 3.15Å; D1405-Y1407 VanDerWaalsContact OD1-N 3.1Å; D1405-L1408 HydrophobicContact CB-CB 4.27Å; D1405-L1408 HydrophobicContact CB-CD1 4.07Å; D1405-L1408 HydrophobicContact CB-CG 4.11Å; D1405-L1408 WeakPolarHBondContact O-CB 3.27Å; D1405-L1408 PolarHBondContact O-N 3.1Å
1406	S	75	Confident	85.3	Confident	18 Å²	18	36.2 Å²	36.2	13%	0.126	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-64.2	-18.5	-178.5	58.8	0	0	0	0	113.4	A1409	S1406-A1409 WeakPolarHBondContact O-CB 3.48Å; S1406-A1409 PolarHBondContact O-N 3.42Å
1407	Y	77	Confident	85.4	Confident	42 Å²	42	37.3 Å²	37.3	17%	0.165	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-75.3	-29.4	175.3	-83.1	-104.9	0	0	0	111.6	Y821 E1018 R1025 R1066 D1405 A1409 I1410 W1411	Y821-Y1407 WeakPolarHBondContact OH-CE1 3.11Å; Y821-Y1407 WeakPolarHBondContact OH-CE2 3.26Å; Y821-Y1407 PolarHBondContact OH-OH 3.16Å; E1018-Y1407 PolarHBondContact OE1-OH 3.4Å; E1018-Y1407 PolarHBondContact OE2-OH 2.9Å; R1025-Y1407 VanDerWaalsContact CD-CE2 3.4Å; R1066-Y1407 PolarHBondContact NH1-OH 3.46Å; R1066-Y1407 VanDerWaalsContact NH1-OH 3.07Å; D1405-Y1407 PolarHBondContact O-N 2.8Å; D1405-Y1407 VanDerWaalsContact O-N 3.15Å; D1405-Y1407 WeakPolarHBondContact OD1-CB 3.48Å; D1405-Y1407 PolarHBondContact OD1-N 3.15Å; D1405-Y1407 VanDerWaalsContact OD1-N 3.1Å; Y1407-A1409 PolarHBondContact O-N 2.77Å; Y1407-I1410 PolarHBondContact O-N 3.32Å; Y1407-W1411 WeakPolarHBondContact O-CZ3 3.47Å
1408	L	85	Confident	85.2	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-66.3	-14.6	171.7	-76.9	-177	0	0	0	113.1	R1300 L1301 E1304 I1401 D1405 I1410 W1411 C1412	R1300-L1408 HydrophobicContact CG-CD2 3.72Å; R1300-L1408 VanDerWaalsContact NH1-CD2 3.25Å; L1301-L1408 HydrophobicContact CD2-CD2 3.98Å; E1304-L1408 HydrophobicContact CB-CD1 4.08Å; E1304-L1408 HydrophobicContact CG-CD1 3.72Å; I1401-L1408 HydrophobicContact CB-CB 4.47Å; I1401-L1408 HydrophobicContact CD1-CD1 4Å; I1401-L1408 HydrophobicContact CG1-CB 3.61Å; I1401-L1408 HydrophobicContact CG1-CD1 3.89Å; I1401-L1408 HydrophobicContact CG1-CG 4.37Å; I1401-L1408 HydrophobicContact CG2-CB 4.02Å; D1405-L1408 HydrophobicContact CB-CB 4.27Å; D1405-L1408 HydrophobicContact CB-CD1 4.07Å; D1405-L1408 HydrophobicContact CB-CG 4.11Å; D1405-L1408 WeakPolarHBondContact O-CB 3.27Å; D1405-L1408 PolarHBondContact O-N 3.1Å; L1408-I1410 PolarHBondContact O-N 2.94Å; L1408-I1410 VanDerWaalsContact O-N 3.09Å; L1408-W1411 HydrophobicContact CD2-CE3 4.02Å; L1408-W1411 HydrophobicContact CD2-CZ3 4.45Å; L1408-W1411 PolarHBondContact O-N 3.45Å; L1408-C1412 WeakPolarHBondContact O-CB 3.32Å; L1408-C1412 PolarHBondContact O-N 2.92Å
1409	A	84.6	Confident	85	Confident	7 Å²	7	45 Å²	45	6%	0.058	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.8	-25	179.1	0	0	0	0	0	113.2	Y1394 S1398 I1401 M1402 S1406 Y1407 W1411	Y1394-A1409 WeakPolarHBondContact CD1-O 3.33Å; S1398-A1409 WeakPolarHBondContact CB-O 3.49Å; I1401-A1409 HydrophobicContact CG2-CB 4.37Å; M1402-A1409 HydrophobicContact SD-CB 3.51Å; M1402-A1409 VanDerWaalsContact SD-CB 3.51Å; S1406-A1409 WeakPolarHBondContact O-CB 3.48Å; S1406-A1409 PolarHBondContact O-N 3.42Å; Y1407-A1409 PolarHBondContact O-N 2.77Å; A1409-W1411 VanDerWaalsContact C-N 3.35Å
1410	I	87.6	Confident	84.9	Confident	26 Å²	26	43.5 Å²	43.5	13%	0.133	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.2	-49.4	174.5	-63.9	173.9	0	0	0	110.4	Y1368 R1390 Y1394 Y1407 L1408	Y1368-I1410 HydrophobicContact CD1-CG2 4.26Å; Y1368-I1410 HydrophobicContact CE1-CG2 3.97Å; Y1368-I1410 WeakPolarHBondContact CE1-O 3.29Å; Y1368-I1410 PolarHBondContact OH-O 2.71Å; R1390-I1410 HydrophobicContact CB-CG2 4.36Å; R1390-I1410 PolarHBondContact NH1-O 3.21Å; Y1394-I1410 HydrophobicContact CE1-CB 4.39Å; Y1394-I1410 HydrophobicContact CE1-CG1 4.33Å; Y1407-I1410 PolarHBondContact O-N 3.32Å; L1408-I1410 PolarHBondContact O-N 2.94Å; L1408-I1410 VanDerWaalsContact O-N 3.09Å
1411	W	90.9	Very high	84.7	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.015	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-30.8	-171.4	-55.4	-78.7	0	0	0	114.4	F1297 R1300 L1301 L1311 Y1368 L1385 V1388 Y1407 L1408 A1409 V1413	F1297-W1411 HydrophobicContact CB-CG 4.45Å; F1297-W1411 AromaticContact CD1-CD1 3.68Å; F1297-W1411 AromaticContact CD1-NE1 3.31Å; F1297-W1411 VanDerWaalsContact CD1-NE1 3.31Å; F1297-W1411 AromaticContact CD2-CD1 3.71Å; F1297-W1411 AromaticContact CE1-NE1 3.52Å; F1297-W1411 AromaticContact CG-CD1 3.45Å; F1297-W1411 VanDerWaalsContact CG-CD1 3.45Å; F1297-W1411 HydrophobicContact CG-CG 4.47Å; F1297-W1411 AromaticContact CG-NE1 3.63Å; F1297-W1411 AromaticContact CZ-NE1 3.96Å; R1300-W1411 HydrophobicContact CG-CE3 4.38Å; R1300-W1411 HydrophobicContact CG-CZ3 4.29Å; L1301-W1411 HydrophobicContact CD1-CB 4.14Å; L1301-W1411 HydrophobicContact CD2-CB 4.06Å; L1301-W1411 HydrophobicContact CG-CB 4.17Å; L1311-W1411 HydrophobicContact CD1-CB 4.17Å; Y1368-W1411 AromaticContact CE1-CD1 3.92Å; Y1368-W1411 WeakPolarHBondContact OH-CA 3.33Å; Y1368-W1411 PolarHBondContact OH-O 3.3Å; L1385-W1411 HydrophobicContact CB-CZ2 4.44Å; L1385-W1411 HydrophobicContact CD2-CZ2 4.35Å; L1385-W1411 WeakPolarHBondContact O-CZ2 3.36Å; V1388-W1411 HydrophobicContact CB-CZ2 4.14Å; V1388-W1411 HydrophobicContact CG1-CZ2 4.49Å; Y1407-W1411 WeakPolarHBondContact O-CZ3 3.47Å; L1408-W1411 HydrophobicContact CD2-CE3 4.02Å; L1408-W1411 HydrophobicContact CD2-CZ3 4.45Å; L1408-W1411 PolarHBondContact O-N 3.45Å; A1409-W1411 VanDerWaalsContact C-N 3.35Å; W1411-V1413 PolarHBondContact O-N 2.9Å
1412	C	92.8	Very high	84.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	23%	0.233	C	C	.	.			trans	-70.5	125.5	-169.2	-175.6	0	0	0	0	111.7	L1301 C1308 S1398 I1401 L1408	L1301-C1412 HydrophobicContact CD2-CB 4.16Å; C1308-C1412 HydrophobicContact CB-CB 3.95Å; C1308-C1412 WeakPolarHBondContact CB-SG 3.31Å; C1308-C1412 WeakPolarHBondContact SG-CB 3.49Å; C1308-C1412 CovalentContact SG-SG 2.04Å; C1308-C1412 PolarHBondContact SG-SG 2.03Å; S1398-C1412 WeakPolarHBondContact CB-O 3.33Å; I1401-C1412 HydrophobicContact CB-CB 4.24Å; I1401-C1412 HydrophobicContact CG2-CB 3.65Å; L1408-C1412 WeakPolarHBondContact O-CB 3.32Å; L1408-C1412 PolarHBondContact O-N 2.92Å
1413	V	92.6	Very high	84.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	23%	0.229	C	C	.	.			trans	-112.4	114.3	160.8	-176.2	0	0	0	0	107.2	C1308 S1309 L1311 P1363 R1364 W1411 L1418	C1308-V1413 CarbonylContact C-O 3.47Å; C1308-V1413 WeakPolarHBondContact CA-O 3.31Å; S1309-V1413 PolarHBondContact N-O 2.73Å; L1311-V1413 HydrophobicContact CD2-CG2 4.36Å; P1363-V1413 HydrophobicContact CB-CG1 4.46Å; P1363-V1413 HydrophobicContact CG-CB 3.93Å; P1363-V1413 HydrophobicContact CG-CG1 3.87Å; P1363-V1413 HydrophobicContact CG-CG2 4.17Å; R1364-V1413 HydrophobicContact CB-CG2 4.42Å; R1364-V1413 HydrophobicContact CG-CG1 3.69Å; R1364-V1413 HydrophobicContact CG-CG2 4.44Å; W1411-V1413 PolarHBondContact O-N 2.9Å; V1413-L1418 HydrophobicContact CG1-CD2 3.69Å
1414	C	92.5	Very high	85.5	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-65.1	139.9	-178.5	-56.2	0	0	0	0	111.3	L1307 A1397 S1398 C1400 D1416 R1417	L1307-C1414 WeakPolarHBondContact O-CA 3.42Å; A1397-C1414 PolarHBondContact O-N 2.83Å; A1397-C1414 PolarHBondContact O-SG 2.82Å; S1398-C1414 VanDerWaalsContact C-SG 3.6Å; C1400-C1414 HydrophobicContact CB-CB 3.77Å; C1400-C1414 WeakPolarHBondContact CB-SG 3.22Å; C1400-C1414 PolarHBondContact N-SG 3.35Å; C1400-C1414 VanDerWaalsContact SG-CA 3.6Å; C1400-C1414 WeakPolarHBondContact SG-CB 3.43Å; C1400-C1414 CovalentContact SG-SG 2.02Å; C1400-C1414 PolarHBondContact SG-SG 3.02Å; C1414-D1416 WeakPolarHBondContact CB-OD1 3.38Å; C1414-D1416 PolarHBondContact O-N 3.45Å; C1414-R1417 HydrophobicContact CB-CB 4.39Å; C1414-R1417 HydrophobicContact CB-CG 4.07Å; C1414-R1417 WeakPolarHBondContact O-CA 3.02Å; C1414-R1417 WeakPolarHBondContact O-CB 2.99Å; C1414-R1417 PolarHBondContact O-N 2.94Å
1415	Y	92.5	Very high	86	Confident	109 Å²	109	38.4 Å²	38.4	43%	0.427	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-55.4	-33.9	179.3	-79.5	-72.7	0	0	0	113.5	E1305 K1306 L1307 R1417 L1418	E1305-Y1415 VanDerWaalsContact O-CE2 3.26Å; E1305-Y1415 WeakPolarHBondContact O-CE2 3.47Å; E1305-Y1415 PolarHBondContact O-OH 3.37Å; E1305-Y1415 VanDerWaalsContact O-OH 3.13Å; K1306-Y1415 WeakPolarHBondContact O-CD2 3.33Å; L1307-Y1415 VanDerWaalsContact O-CD2 3.29Å; L1307-Y1415 WeakPolarHBondContact O-CD2 2.85Å; L1307-Y1415 PolarHBondContact O-N 3Å; Y1415-R1417 PolarHBondContact O-N 3.27Å; Y1415-L1418 HydrophobicContact CD1-CD1 3.59Å; Y1415-L1418 HydrophobicContact CE1-CD1 4.25Å; Y1415-L1418 HydrophobicContact CG-CD1 4.43Å; Y1415-L1418 WeakPolarHBondContact O-CG 3.14Å; Y1415-L1418 PolarHBondContact O-N 3.18Å
1416	D	90	Very high	86.7	Confident	93 Å²	93	39.8 Å²	39.8	50%	0.497	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-78.9	5.7	177.6	72.4	-45.1	0	0	0	113.8	H1399 C1414	H1399-D1416 IonicContact CE1-OD1 3.24Å; H1399-D1416 PolarHBondContact CE1-OD1 3.3Å; H1399-D1416 VanDerWaalsContact CE1-OD1 3.27Å; H1399-D1416 IonicContact CE1-OD2 2.91Å; H1399-D1416 PolarHBondContact CE1-OD2 3.47Å; H1399-D1416 IonicContact NE2-OD2 2.63Å; H1399-D1416 PolarHBondContact NE2-OD2 3.08Å; C1414-D1416 WeakPolarHBondContact CB-OD1 3.38Å; C1414-D1416 PolarHBondContact O-N 3.45Å
1417	R	83.9	Confident	87.6	Confident	91 Å²	91	41.7 Å²	41.7	34%	0.343	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-120.6	7.5	175.3	-60.8	-67.6	179.2	-122	-6.8	113	H1399 C1414 Y1415	H1399-R1417 PolarHBondContact CE1-NE 2.98Å; H1399-R1417 VanDerWaalsContact CE1-NE 3.26Å; H1399-R1417 PolarHBondContact CE1-NH2 3.32Å; H1399-R1417 VanDerWaalsContact CE1-NH2 3.35Å; H1399-R1417 PolarHBondContact ND1-NE 3.3Å; H1399-R1417 PolarHBondContact NE2-NH2 3.42Å; C1414-R1417 HydrophobicContact CB-CB 4.39Å; C1414-R1417 HydrophobicContact CB-CG 4.07Å; C1414-R1417 WeakPolarHBondContact O-CA 3.02Å; C1414-R1417 WeakPolarHBondContact O-CB 2.99Å; C1414-R1417 PolarHBondContact O-N 2.94Å; Y1415-R1417 PolarHBondContact O-N 3.27Å
1418	L	82.3	Confident	88.6	Confident	125 Å²	125	41.6 Å²	41.6	65%	0.654	20%	0.195	S	C	*	.			trans	-73.3	0	178.1	-66.3	-177	0	0	0	113.6	P1363 V1413 Y1415	P1363-L1418 HydrophobicContact CB-CD2 3.5Å; P1363-L1418 HydrophobicContact CG-CD2 3.21Å; V1413-L1418 HydrophobicContact CG1-CD2 3.69Å; Y1415-L1418 HydrophobicContact CD1-CD1 3.59Å; Y1415-L1418 HydrophobicContact CE1-CD1 4.25Å; Y1415-L1418 HydrophobicContact CG-CD1 4.43Å; Y1415-L1418 WeakPolarHBondContact O-CG 3.14Å; Y1415-L1418 PolarHBondContact O-N 3.18Å

Retrieved 1,418 of 1,418 residues in 828.7 ms (Link to these results)

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