A0A5K4FC05_SCHMA Loading...

F5/8 type C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,352 aa.

						>A0A5K4FC05_SCHMA|A0A5K4FC05
MPGRIIQMEKLERSQFRKIYCKCPAKSNVNSNDNKCTSRSGKCTHILFYSLISLVVISDLFASYLCSSVLASSNSGVSFIQNDYDLDKTKCIQSLLVNRHQIPDSAFNATSEVVDPSGAKRYNAHSIRNENTDFAWCPGKRISTECDEYVEIDMGELNIITKVVISGLLAEGGGSRYTPYFYIRYKREINEENWRTYRQLRPTIISRLLGGLDALVPKFVVLDPPLIARWIRIYPYRDTPGFVCIRLEAYGCRFSDDLVEYRIPEGSLAHPPYQAETNLYKSQGSEVFTTEKLNSSQAGGGLPFSDTCYDGHRIEPGSLLDGGLGCLIDLNSANRDTIPSIRQTVGVSSKADSSMNHQFVGWHRDRWKSSQDKDNDVVDMLFRFASVRNFTRLRLYISNNYLEKIRLPRRLEVKFSVGGVHFSGQLPISREFKLENRSLGVFSIILDLSHRIGQVVQLKAFFADDWLLFSEIRFESEKVTTPIKIDELAMLSEKSSNHQSINEEEDLMNTKHESDANKVPSSNDTSVFDDPTTRLSTVVILVLVLLCCFLGLLAGVACFSVTWMHRKRHDLEREKHQVHKTLLIRGEDALNVCTTTGLRSNGDVNLIGSGGDGGYATVRPNMYPFLLSAAKPEIGVSTVLPNGGLQSYHQIVLSSNTSTESPNSVSNEKNSSQQQAQLRQTSQSNVGMIIGQQSNTIVNRLSGDTIGPSDGVTSETEAFCDNNNNKHNDDNDETHPHHRYSLSLFNNHQYHHNHQFRKQHSSVLSSLLCISKMKKHRRKQCSVKINNNNRTISQFDHTNNIHGNINSKEIDHITATTTTTTTTNTTNNNSNNNTEFLNTVNNFSIVNQLVSSQSGHNLGLCSTDLLNAHLRGQTSVQAANGLLQIDLSRGHPSMLINGRPLMRISASSNPSDVTDNSWLLQTGYRNNNAVCCTSSMGMNLLNSEPGVYTTVSGAESDVDSNGASTMSPEYASTSMLHDYPILAATLAQLNQQRLAATLTPSMNIQPNLYPCSNPLNIGSSSNCSVNFNILSNPPLNSPFSNNSNIINNSSTYGNINSHKNNFLISMNTIQQPLLFTNPHSMYDMMMMLTTKTTTTATAAITTSPVTKLSNGIQSSQIGLLTETHGNNNSNNHRYGVESDIVQNVFQQNNYQSQNQQIYDAYNLPTPSAPIYYPTTHQIIPSTIGQYFPCIITSTQTTGLSFISASSSGIAPHTVLSPSSSSKSNGNTMNNTATATANNNNNNLTLLGRGGHINNEYKSPKRNDVVNIEQSHKRSDVNKLDFNVKSSLTTNTCLSKSNYRVSNHNPWIKVSNSNRYGELEPAQRRQHDENLLPPTPSSPPPPLPRTITTTKHH
					

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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	29.8	Very low	31.5	Very low	237 Å²	237	161.6 Å²	161.6	100%	1.167	82%	0.816	S	S	*	*				0	150.3	0	-80.4	-55.2	179.3	0	0	109
2	P	31.5	Very low	31.8	Very low	119 Å²	119	161.5 Å²	161.5	77%	0.773	81%	0.811	S	S	*	*			trans	-73.7	162.5	-157.5	30	-36.4	0	0	0	113.1
3	G	30.2	Very low	31.7	Very low	76 Å²	76	168.8 Å²	168.8	78%	0.784	82%	0.823	S	S	*	*			cis	95.4	41.9	33.3	0	0	0	0	0	111.6
4	R	30.7	Very low	31.8	Very low	234 Å²	234	163.6 Å²	163.6	88%	0.883	81%	0.812	S	S	*	*			trans	-148.1	167.6	162	-85.5	-177.3	179.4	179.9	-0.7	106.6
5	I	33.7	Very low	32.1	Very low	155 Å²	155	162.7 Å²	162.7	80%	0.795	80%	0.804	S	S	*	*			trans	80.4	55.9	-169.7	-42.6	166.7	0	0	0	113.2
6	I	33.8	Very low	32.1	Very low	110 Å²	110	165 Å²	165	56%	0.564	81%	0.809	S	S	*	*			trans	-134.9	67.5	151.3	-52.4	-178.4	0	0	0	107.6
7	Q	32.4	Very low	31.9	Very low	184 Å²	184	168.9 Å²	168.9	86%	0.86	81%	0.813	S	S	*	*	S	Bend	trans	-154.5	-0.9	-180	-135.2	174.4	4.1	0	0	117.6
8	M	30.3	Very low	31.7	Very low	180 Å²	180	170.2 Å²	170.2	89%	0.887	81%	0.814	S	S	*	*	S	Bend	trans	-107.4	-20.3	-179.2	-86	-176.8	155.9	0	0	115.8	K10	M8-K10 PolarHBondContact O-N 3.49Å; M8-K10 VanDerWaalsContact O-N 3.1Å
9	E	32.1	Very low	31.9	Very low	141 Å²	141	169.2 Å²	169.2	66%	0.659	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	18	-175.3	-148	-174.6	173.6	0	0	114.9	Y1186	E9-Y1186 WeakPolarHBondContact OE2-CE1 3.29Å; E9-Y1186 VanDerWaalsContact OE2-CZ 3.25Å; E9-Y1186 PolarHBondContact OE2-OH 3.39Å
10	K	32.3	Very low	31.9	Very low	203 Å²	203	171.4 Å²	171.4	88%	0.883	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	10.1	-179.1	-117.8	179.8	-177.7	-179.8	0	114.7	M8	M8-K10 PolarHBondContact O-N 3.49Å; M8-K10 VanDerWaalsContact O-N 3.1Å
11	L	30	Very low	31.8	Very low	139 Å²	139	169 Å²	169	73%	0.728	81%	0.813	S	S	*	*	S	Bend	trans	-132.1	13.2	-166.4	-142.3	80.8	0	0	0	117.6
12	E	34.8	Very low	31.9	Very low	160 Å²	160	167.1 Å²	167.1	75%	0.748	80%	0.799	S	S	*	*	S	Bend	trans	-129.3	-2.9	-177.3	-141.2	166	-140.2	0	0	117.4	S14	E12-S14 VanDerWaalsContact C-N 3.27Å; E12-S14 PolarHBondContact O-N 3.31Å
13	R	30.4	Very low	31.8	Very low	257 Å²	257	166.7 Å²	166.7	97%	0.97	80%	0.797	S	S	*	*	S	Bend	trans	-84	11.9	171.2	-80.7	-168.5	174.7	-165.2	-0.6	115.1
14	S	32.8	Very low	32.3	Very low	95 Å²	95	169.2 Å²	169.2	66%	0.664	80%	0.8	S	S	*	*	S	Bend	trans	-123.9	-10.5	-174.8	54.7	0	0	0	0	116.1	E12	E12-S14 VanDerWaalsContact C-N 3.27Å; E12-S14 PolarHBondContact O-N 3.31Å
15	Q	36.5	Very low	32.5	Very low	150 Å²	150	162.6 Å²	162.6	70%	0.701	80%	0.795	S	S	*	*	S	Bend	trans	-94.2	-31.7	-173	-79	-78.3	-14.2	0	0	114.6	R17	Q15-R17 PolarHBondContact O-N 2.62Å
16	F	32	Very low	32.5	Very low	200 Å²	200	164.5 Å²	164.5	88%	0.877	80%	0.797	S	S	*	*	S	Bend	trans	-81.7	31.5	-174.7	-94.8	-83.4	0	0	0	116
17	R	28.4	Very low	32.5	Very low	231 Å²	231	164 Å²	164	87%	0.872	80%	0.804	S	S	*	*	S	Bend	trans	-124.9	71.8	167.8	-85.2	-165.4	176.5	-167	1.6	111.6	Q15	Q15-R17 PolarHBondContact O-N 2.62Å
18	K	29.3	Very low	32.5	Very low	193 Å²	193	162.4 Å²	162.4	84%	0.839	80%	0.801	S	S	*	*			trans	168.3	100.6	153.2	-95.6	155.6	-177.9	178.9	0	110.2
19	I	34.7	Very low	32.7	Very low	150 Å²	150	159.3 Å²	159.3	77%	0.769	79%	0.792	S	S	*	*			trans	-169.5	95.1	156.1	-106.8	152.2	0	0	0	108.3
20	Y	32.7	Very low	32.6	Very low	213 Å²	213	159.7 Å²	159.7	84%	0.835	80%	0.799	S	S	*	*			trans	56.1	148.1	175.8	-45.6	-74.1	0	0	0	116.4
21	C	30.7	Very low	32.7	Very low	122 Å²	122	154.8 Å²	154.8	82%	0.824	79%	0.79	S	S	*	*			cis	-104.8	153.4	18.4	-63.8	0	0	0	0	114.6
22	K	31.4	Very low	32.8	Very low	198 Å²	198	154.9 Å²	154.9	86%	0.861	79%	0.791	S	S	*	*			trans	-119.6	95.4	169.1	-176	-178.2	-177.7	-177.4	0	107.8
23	C	29.4	Very low	32.9	Very low	109 Å²	109	153.4 Å²	153.4	74%	0.736	79%	0.789	S	S	*	*			trans	-72.7	131.6	-179.2	-59.8	0	0	0	0	110.9
24	P	39.5	Very low	33.2	Very low	130 Å²	130	147.9 Å²	147.9	84%	0.844	78%	0.778	S	S	*	*			trans	-69.2	155.1	156.9	32.6	-32.8	0	0	0	109.2
25	A	34.6	Very low	33	Very low	94 Å²	94	152.7 Å²	152.7	78%	0.777	79%	0.787	S	S	*	*			trans	-116.2	165.3	-170.1	0	0	0	0	0	113.3
26	K	35.4	Very low	32.6	Very low	195 Å²	195	150.9 Å²	150.9	85%	0.848	79%	0.79	S	S	*	*			trans	107.1	129.3	158.9	-61.8	-171.9	173.2	-175	0	118.7
27	S	33.8	Very low	32.6	Very low	100 Å²	100	147.7 Å²	147.7	70%	0.699	79%	0.787	S	S	*	*			trans	68.4	97.6	135	62.2	0	0	0	0	121.3
28	N	32.2	Very low	32.7	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	79%	0.788	S	S	*	*				68.3	128.2	109.5	-79.9	17	0	0	0	122.8
29	V	33.7	Very low	32.9	Very low	115 Å²	115	144.6 Å²	144.6	70%	0.697	79%	0.789	S	S	*	*			trans	80.1	117.9	133.8	173	0	0	0	0	117.8
30	N	30.7	Very low	32.8	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	80%	0.795	S	S	*	*			trans	35.2	130.4	143.9	-51.5	-2.7	0	0	0	118.3
31	S	32.9	Very low	33	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	79%	0.791	S	S	*	*			cis	-167.5	160.2	29.7	50.5	0	0	0	0	113.2
32	N	33.6	Very low	33.2	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	79%	0.79	S	S	*	*			trans	63.8	170	153.1	-64.2	0.2	0	0	0	119.4
33	D	37	Very low	33.5	Very low	129 Å²	129	135.6 Å²	135.6	69%	0.69	78%	0.784	S	S	*	*			trans	66	98.7	161.5	-60.6	-36.8	0	0	0	121
34	N	35.3	Very low	34.4	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	78%	0.78	S	S	*	*				70.4	126.3	121.4	-59.8	-46.9	0	0	0	121.4
35	K	30.2	Very low	35	Very low	195 Å²	195	134.7 Å²	134.7	85%	0.848	77%	0.765	S	S	*	*			trans	-2.5	124.1	150.7	-63.5	172.1	175.7	174	0	116.6
36	C	27.5	Very low	36	Very low	113 Å²	113	136.4 Å²	136.4	76%	0.764	76%	0.76	S	S	*	*				-171.5	128.5	97.4	-104.7	0	0	0	0	115.9
37	T	30.9	Very low	36.9	Very low	132 Å²	132	133 Å²	133	81%	0.81	75%	0.75	S	S	*	*			trans	5.2	121.3	141.1	56.9	0	0	0	0	119.7
38	S	32.1	Very low	38.3	Very low	128 Å²	128	134.7 Å²	134.7	90%	0.895	75%	0.745	S	S	*	*			trans	-128.8	174.1	145.4	-169.8	0	0	0	0	109.6
39	R	32.8	Very low	40.1	Very low	231 Å²	231	134.7 Å²	134.7	87%	0.872	74%	0.735	S	S	*	*			trans	-143.5	160.4	-151.2	-161.9	171.9	-179.4	-178.7	-0	113.5
40	S	33.5	Very low	41.8	Very low	126 Å²	126	132.4 Å²	132.4	88%	0.881	72%	0.724	S	S	*	*			trans	77.2	153.2	175.5	81	0	0	0	0	117
41	G	36.7	Very low	43.8	Very low	73 Å²	73	130.3 Å²	130.3	75%	0.753	71%	0.712	S	S	*	*	S	Bend	trans	116.4	-8	169.3	0	0	0	0	0	118.6
42	K	34.3	Very low	45.9	Very low	187 Å²	187	129.4 Å²	129.4	81%	0.813	70%	0.699	S	S	*	*			trans	-142.1	78.2	-174	-65.8	-175	-178.9	178.8	0	115
43	C	38.3	Very low	47.8	Very low	108 Å²	108	125.9 Å²	125.9	73%	0.73	69%	0.685	S	S	*	*	S	Bend	trans	-126.6	-21.6	165.7	-68	0	0	0	0	114.4
44	T	47.6	Very low	49.7	Very low	106 Å²	106	124.8 Å²	124.8	65%	0.65	68%	0.679	S	S	*	*	H	α-helix	trans	-73.8	-37.5	-179.4	44.3	0	0	0	0	113.4	I46 L47 F48	T44-I46 VanDerWaalsContact C-N 3.34Å; T44-I46 PolarHBondContact O-N 3.21Å; T44-L47 PolarHBondContact O-N 2.91Å; T44-F48 PolarHBondContact O-N 3.42Å
45	H	51	Low	51.8	Low	115 Å²	115	121.9 Å²	121.9	53%	0.532	67%	0.666	S	S	.	*	H	α-helix	trans	-62.7	-34	-175.5	-103.5	-75.1	0	0	0	114.5	F48 Y49	H45-F48 PolarHBondContact O-N 3.4Å; H45-Y49 AromaticContact ND1-CE2 3.53Å; H45-Y49 WeakPolarHBondContact O-CD2 3.31Å; H45-Y49 PolarHBondContact O-N 3.47Å
46	I	55.9	Low	54.1	Low	130 Å²	130	116.1 Å²	116.1	67%	0.667	65%	0.647	S	S	*	*	H	α-helix	trans	-68.7	-42.9	-178.3	-62.6	175.7	0	0	0	110.2	T44 F48 S50	T44-I46 VanDerWaalsContact C-N 3.34Å; T44-I46 PolarHBondContact O-N 3.21Å; I46-F48 VanDerWaalsContact C-N 3.33Å; I46-F48 PolarHBondContact O-N 2.92Å; I46-S50 WeakPolarHBondContact O-CB 3.3Å; I46-S50 PolarHBondContact O-N 3.29Å
47	L	53.9	Low	56.6	Low	122 Å²	122	115.3 Å²	115.3	64%	0.639	63%	0.634	S	S	*	*	H	α-helix	trans	-62.8	-40.6	172.2	-66.1	173.9	0	0	0	111.3	T44 S50 L51	T44-L47 PolarHBondContact O-N 2.91Å; L47-S50 PolarHBondContact O-N 3.41Å; L47-L51 WeakPolarHBondContact O-CB 3.29Å; L47-L51 WeakPolarHBondContact O-CG 3.34Å; L47-L51 PolarHBondContact O-N 3.48Å
48	F	63.5	Low	58.8	Low	136 Å²	136	112 Å²	112	60%	0.596	62%	0.616	S	S	*	*	H	α-helix	trans	-63.6	-44.8	179.3	-141.5	-91.4	0	0	0	112.5	T44 H45 I46 L51 I52	T44-F48 PolarHBondContact O-N 3.42Å; H45-F48 PolarHBondContact O-N 3.4Å; I46-F48 VanDerWaalsContact C-N 3.33Å; I46-F48 PolarHBondContact O-N 2.92Å; F48-L51 PolarHBondContact O-N 3.33Å; F48-I52 HydrophobicContact CD1-CD1 3.73Å; F48-I52 HydrophobicContact CD1-CG1 4.44Å; F48-I52 HydrophobicContact CE1-CD1 4.03Å; F48-I52 WeakPolarHBondContact O-CG1 3.46Å; F48-I52 PolarHBondContact O-N 3.32Å
49	Y	71.5	Confident	60.8	Low	151 Å²	151	110.6 Å²	110.6	59%	0.592	60%	0.599	S	S	*	*	H	α-helix	trans	-67.5	-38.4	174.3	-77.8	-63.8	0	0	0	112.6	H45 L51 I52 S53	H45-Y49 AromaticContact ND1-CE2 3.53Å; H45-Y49 WeakPolarHBondContact O-CD2 3.31Å; H45-Y49 PolarHBondContact O-N 3.47Å; Y49-L51 VanDerWaalsContact C-N 3.33Å; Y49-L51 PolarHBondContact O-N 2.94Å; Y49-I52 PolarHBondContact O-N 3.28Å; Y49-S53 PolarHBondContact O-N 3.46Å; Y49-S53 PolarHBondContact O-OG 2.92Å
50	S	67.8	Low	62.8	Low	66 Å²	66	104.8 Å²	104.8	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-64.4	-37.4	176.1	-172.2	0	0	0	0	112.4	I46 L47 L54	I46-S50 WeakPolarHBondContact O-CB 3.3Å; I46-S50 PolarHBondContact O-N 3.29Å; L47-S50 PolarHBondContact O-N 3.41Å; S50-L54 WeakPolarHBondContact O-CG 3.44Å; S50-L54 PolarHBondContact O-N 3.03Å
51	L	73.1	Confident	64.9	Low	107 Å²	107	105.4 Å²	105.4	56%	0.56	57%	0.571	S	S	*	*	H	α-helix	trans	-68	-44.1	173.9	-75	167	0	0	0	112	L47 F48 Y49 S53 L54 V55	L47-L51 WeakPolarHBondContact O-CB 3.29Å; L47-L51 WeakPolarHBondContact O-CG 3.34Å; L47-L51 PolarHBondContact O-N 3.48Å; F48-L51 PolarHBondContact O-N 3.33Å; Y49-L51 VanDerWaalsContact C-N 3.33Å; Y49-L51 PolarHBondContact O-N 2.94Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-S53 PolarHBondContact O-N 2.91Å; L51-L54 PolarHBondContact O-N 3.45Å; L51-V55 WeakPolarHBondContact O-CG2 3.38Å; L51-V55 PolarHBondContact O-N 2.94Å
52	I	77	Confident	66.7	Low	80 Å²	80	104.5 Å²	104.5	41%	0.41	56%	0.557	S	S	.	*	H	α-helix	trans	-59.9	-45.5	175.7	-70.4	166.7	0	0	0	110.7	F48 Y49 L54 V55 V56	F48-I52 HydrophobicContact CD1-CD1 3.73Å; F48-I52 HydrophobicContact CD1-CG1 4.44Å; F48-I52 HydrophobicContact CE1-CD1 4.03Å; F48-I52 WeakPolarHBondContact O-CG1 3.46Å; F48-I52 PolarHBondContact O-N 3.32Å; Y49-I52 PolarHBondContact O-N 3.28Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 3.38Å; I52-V55 PolarHBondContact O-N 3.31Å; I52-V56 HydrophobicContact CG2-CG2 4.44Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.34Å
53	S	74.7	Confident	68.5	Low	67 Å²	67	98.5 Å²	98.5	47%	0.469	54%	0.538	S	S	.	.	H	α-helix	trans	-61.5	-40.4	176.2	-66	0	0	0	0	112.5	Y49 L51 V56 I57	Y49-S53 PolarHBondContact O-N 3.46Å; Y49-S53 PolarHBondContact O-OG 2.92Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-S53 PolarHBondContact O-N 2.91Å; S53-V56 PolarHBondContact O-N 3.15Å; S53-I57 WeakPolarHBondContact O-CB 3.37Å; S53-I57 WeakPolarHBondContact O-CD1 3.29Å; S53-I57 WeakPolarHBondContact O-CG1 3.37Å; S53-I57 PolarHBondContact O-N 3.41Å
54	L	76.3	Confident	70.1	Confident	106 Å²	106	101.5 Å²	101.5	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-64.8	-41	175.6	-80.6	166	0	0	0	112.5	S50 L51 I52 I57 S58	S50-L54 WeakPolarHBondContact O-CG 3.44Å; S50-L54 PolarHBondContact O-N 3.03Å; L51-L54 PolarHBondContact O-N 3.45Å; I52-L54 VanDerWaalsContact C-N 3.34Å; I52-L54 PolarHBondContact O-N 3.38Å; L54-I57 PolarHBondContact O-N 3.48Å; L54-S58 WeakPolarHBondContact O-CB 3.48Å; L54-S58 PolarHBondContact O-N 3.47Å; L54-S58 PolarHBondContact O-OG 3.47Å
55	V	79.1	Confident	71.1	Confident	80 Å²	80	101 Å²	101	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-51.8	174.9	171.6	0	0	0	0	110.4	L51 I52 I57 S58 D59	L51-V55 WeakPolarHBondContact O-CG2 3.38Å; L51-V55 PolarHBondContact O-N 2.94Å; I52-V55 PolarHBondContact O-N 3.31Å; V55-I57 VanDerWaalsContact C-N 3.33Å; V55-I57 PolarHBondContact O-N 3.31Å; V55-S58 CarbonylContact O-C 3.56Å; V55-S58 WeakPolarHBondContact O-CA 3.42Å; V55-S58 PolarHBondContact O-N 2.88Å; V55-S58 PolarHBondContact O-OG 2.88Å; V55-D59 PolarHBondContact O-N 3.38Å
56	V	79.3	Confident	71.6	Confident	75 Å²	75	99 Å²	99	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-60.6	-40.4	179.6	173	0	0	0	0	111.9	I52 S53 S58 D59 L60	I52-V56 HydrophobicContact CG2-CG2 4.44Å; I52-V56 WeakPolarHBondContact O-CG2 3.48Å; I52-V56 PolarHBondContact O-N 3.34Å; S53-V56 PolarHBondContact O-N 3.15Å; V56-S58 VanDerWaalsContact C-N 3.33Å; V56-D59 PolarHBondContact O-N 2.94Å; V56-L60 HydrophobicContact CG1-CD1 4.03Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 VanDerWaalsContact O-CG 3.27Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 2.95Å
57	I	79.3	Confident	71.9	Confident	95 Å²	95	96.4 Å²	96.4	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-38.3	174.1	-70.3	165.3	0	0	0	110.9	S53 L54 V55 L60 F61	S53-I57 WeakPolarHBondContact O-CB 3.37Å; S53-I57 WeakPolarHBondContact O-CD1 3.29Å; S53-I57 WeakPolarHBondContact O-CG1 3.37Å; S53-I57 PolarHBondContact O-N 3.41Å; L54-I57 PolarHBondContact O-N 3.48Å; V55-I57 VanDerWaalsContact C-N 3.33Å; V55-I57 PolarHBondContact O-N 3.31Å; I57-L60 PolarHBondContact O-N 3.39Å; I57-F61 HydrophobicContact CG2-CD2 4.36Å; I57-F61 PolarHBondContact O-N 2.93Å
58	S	76.4	Confident	72	Confident	62 Å²	62	93 Å²	93	43%	0.434	51%	0.506	S	S	.	.	H	α-helix	trans	-68.8	-38.4	177.7	74.8	0	0	0	0	113.1	L54 V55 V56 F61 A62	L54-S58 WeakPolarHBondContact O-CB 3.48Å; L54-S58 PolarHBondContact O-N 3.47Å; L54-S58 PolarHBondContact O-OG 3.47Å; V55-S58 CarbonylContact O-C 3.56Å; V55-S58 WeakPolarHBondContact O-CA 3.42Å; V55-S58 PolarHBondContact O-N 2.88Å; V55-S58 PolarHBondContact O-OG 2.88Å; V56-S58 VanDerWaalsContact C-N 3.33Å; S58-F61 PolarHBondContact O-N 3.44Å; S58-A62 VanDerWaalsContact O-CB 3.24Å; S58-A62 WeakPolarHBondContact O-CB 3.25Å; S58-A62 PolarHBondContact O-N 3.48Å
59	D	74.4	Confident	71.4	Confident	100 Å²	100	90.8 Å²	90.8	54%	0.535	50%	0.504	S	S	.	.	H	α-helix	trans	-67.9	-37.8	174.1	-73.5	-39.7	0	0	0	111.8	V55 V56 A62 S63	V55-D59 PolarHBondContact O-N 3.38Å; V56-D59 PolarHBondContact O-N 2.94Å; D59-A62 PolarHBondContact O-N 3.33Å; D59-S63 WeakPolarHBondContact O-CB 3.28Å; D59-S63 PolarHBondContact O-N 3.49Å; D59-S63 PolarHBondContact O-OG 3.35Å
60	L	76.1	Confident	70.1	Confident	109 Å²	109	88.4 Å²	88.4	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-65.3	-43.6	173	-73	169.7	0	0	0	111.6	V56 I57 S63 Y64	V56-L60 HydrophobicContact CG1-CD1 4.03Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 VanDerWaalsContact O-CG 3.27Å; V56-L60 WeakPolarHBondContact O-CG 3.36Å; V56-L60 PolarHBondContact O-N 2.95Å; I57-L60 PolarHBondContact O-N 3.39Å; L60-S63 WeakPolarHBondContact CA-OG 3.4Å; L60-S63 PolarHBondContact O-OG 2.86Å; L60-Y64 WeakPolarHBondContact O-CB 3.49Å; L60-Y64 PolarHBondContact O-N 3.42Å
61	F	76	Confident	69.1	Low	138 Å²	138	88.8 Å²	88.8	61%	0.605	51%	0.508	S	S	*	.	H	α-helix	trans	-65.3	-41.1	173.9	-109.1	-88.3	0	0	0	112.3	I57 S58 Y64 L65	I57-F61 HydrophobicContact CG2-CD2 4.36Å; I57-F61 PolarHBondContact O-N 2.93Å; S58-F61 PolarHBondContact O-N 3.44Å; F61-Y64 PolarHBondContact O-N 2.92Å; F61-L65 HydrophobicContact CD1-CD1 4.39Å; F61-L65 WeakPolarHBondContact O-CB 3.34Å; F61-L65 VanDerWaalsContact O-CG 3.29Å; F61-L65 WeakPolarHBondContact O-CG 3.38Å; F61-L65 PolarHBondContact O-N 2.9Å
62	A	74.5	Confident	67.8	Low	54 Å²	54	88 Å²	88	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-41.8	177.9	0	0	0	0	0	112	S58 D59 C66	S58-A62 VanDerWaalsContact O-CB 3.24Å; S58-A62 WeakPolarHBondContact O-CB 3.25Å; S58-A62 PolarHBondContact O-N 3.48Å; D59-A62 PolarHBondContact O-N 3.33Å; A62-C66 WeakPolarHBondContact O-CB 3.43Å; A62-C66 PolarHBondContact O-N 3.32Å
63	S	73.1	Confident	65.9	Low	61 Å²	61	87.6 Å²	87.6	43%	0.427	52%	0.515	S	S	.	.	H	α-helix	trans	-68.7	-36.9	175.5	56.6	0	0	0	0	112.7	D59 L60 C66 S67	D59-S63 WeakPolarHBondContact O-CB 3.28Å; D59-S63 PolarHBondContact O-N 3.49Å; D59-S63 PolarHBondContact O-OG 3.35Å; L60-S63 WeakPolarHBondContact CA-OG 3.4Å; L60-S63 PolarHBondContact O-OG 2.86Å; S63-C66 PolarHBondContact O-N 3.43Å; S63-S67 WeakPolarHBondContact O-CB 3.44Å; S63-S67 PolarHBondContact O-N 2.9Å; S63-S67 PolarHBondContact O-OG 3.37Å
64	Y	72.3	Confident	64.2	Low	171 Å²	171	90.2 Å²	90.2	67%	0.671	52%	0.524	S	S	*	.	H	α-helix	trans	-68.3	-40.1	174.3	-164.5	-95.8	0	0	0	112.6	L60 F61 S67 S68	L60-Y64 WeakPolarHBondContact O-CB 3.49Å; L60-Y64 PolarHBondContact O-N 3.42Å; F61-Y64 PolarHBondContact O-N 2.92Å; Y64-S67 PolarHBondContact O-N 3.07Å; Y64-S68 PolarHBondContact O-N 3.33Å; Y64-S68 PolarHBondContact O-OG 3.36Å; Y64-S68 VanDerWaalsContact O-OG 3.05Å
65	L	68.4	Low	62.4	Low	96 Å²	96	89.5 Å²	89.5	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-67.8	-41.3	173.3	-73.5	169.1	0	0	0	111.9	F61 S67 S68 V69	F61-L65 HydrophobicContact CD1-CD1 4.39Å; F61-L65 WeakPolarHBondContact O-CB 3.34Å; F61-L65 VanDerWaalsContact O-CG 3.29Å; F61-L65 WeakPolarHBondContact O-CG 3.38Å; F61-L65 PolarHBondContact O-N 2.9Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-S67 PolarHBondContact O-N 3.32Å; L65-S68 WeakPolarHBondContact CA-OG 3.26Å; L65-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 2.99Å; L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 2.94Å
66	C	61.4	Low	60.3	Low	73 Å²	73	87.7 Å²	87.7	49%	0.493	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-41.9	174	-168.9	0	0	0	0	111.2	A62 S63 V69 L70	A62-C66 WeakPolarHBondContact O-CB 3.43Å; A62-C66 PolarHBondContact O-N 3.32Å; S63-C66 PolarHBondContact O-N 3.43Å; C66-V69 PolarHBondContact O-N 3.25Å; C66-L70 WeakPolarHBondContact O-CB 3.46Å; C66-L70 VanDerWaalsContact O-CG 3.3Å; C66-L70 WeakPolarHBondContact O-CG 3.3Å; C66-L70 PolarHBondContact O-N 3.37Å
67	S	61.6	Low	58.6	Low	75 Å²	75	86.5 Å²	86.5	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-43.7	176.4	-58.9	0	0	0	0	112.3	S63 Y64 L65 L70 A71	S63-S67 WeakPolarHBondContact O-CB 3.44Å; S63-S67 PolarHBondContact O-N 2.9Å; S63-S67 PolarHBondContact O-OG 3.37Å; Y64-S67 PolarHBondContact O-N 3.07Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-S67 PolarHBondContact O-N 3.32Å; S67-L70 PolarHBondContact O-N 2.87Å; S67-A71 WeakPolarHBondContact O-CB 3.46Å; S67-A71 PolarHBondContact O-N 3.36Å
68	S	56.2	Low	56.6	Low	51 Å²	51	85 Å²	85	36%	0.357	52%	0.517	S	S	.	.	H	α-helix	trans	-74.4	-29.8	179.2	57.1	0	0	0	0	113.6	Y64 L65 A71 S72	Y64-S68 PolarHBondContact O-N 3.33Å; Y64-S68 PolarHBondContact O-OG 3.36Å; Y64-S68 VanDerWaalsContact O-OG 3.05Å; L65-S68 WeakPolarHBondContact CA-OG 3.26Å; L65-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 2.99Å; S68-A71 PolarHBondContact O-N 3.3Å; S68-S72 WeakPolarHBondContact O-CB 3.25Å; S68-S72 PolarHBondContact O-N 3.42Å; S68-S72 PolarHBondContact O-OG 3.36Å
69	V	50.5	Low	54.6	Low	90 Å²	90	89 Å²	89	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-71.4	-37.3	170.8	171.6	0	0	0	0	111.6	L65 C66 S72 S73	L65-V69 WeakPolarHBondContact O-CB 3.34Å; L65-V69 VanDerWaalsContact O-CG2 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.18Å; L65-V69 PolarHBondContact O-N 2.94Å; C66-V69 PolarHBondContact O-N 3.25Å; V69-S72 WeakPolarHBondContact CA-OG 3.39Å; V69-S72 PolarHBondContact O-OG 2.89Å; V69-S73 WeakPolarHBondContact O-CB 3.37Å; V69-S73 PolarHBondContact O-N 2.92Å; V69-S73 VanDerWaalsContact O-N 3.13Å; V69-S73 PolarHBondContact O-OG 2.86Å
70	L	45.1	Very low	53	Low	101 Å²	101	89.3 Å²	89.3	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-69.2	-34.7	171.9	-74.5	167.4	0	0	0	112.4	C66 S67 S73 N74	C66-L70 WeakPolarHBondContact O-CB 3.46Å; C66-L70 VanDerWaalsContact O-CG 3.3Å; C66-L70 WeakPolarHBondContact O-CG 3.3Å; C66-L70 PolarHBondContact O-N 3.37Å; S67-L70 PolarHBondContact O-N 2.87Å; L70-S73 PolarHBondContact O-OG 3.42Å; L70-N74 PolarHBondContact O-ND2 2.89Å; L70-N74 VanDerWaalsContact O-ND2 3.1Å
71	A	46.3	Very low	51.3	Low	73 Å²	73	92.5 Å²	92.5	60%	0.603	54%	0.539	S	S	*	.	H	α-helix	trans	-69.6	-41.9	174.6	0	0	0	0	0	112.5	S67 S68	S67-A71 WeakPolarHBondContact O-CB 3.46Å; S67-A71 PolarHBondContact O-N 3.36Å; S68-A71 PolarHBondContact O-N 3.3Å
72	S	45	Very low	49.4	Very low	90 Å²	90	90.2 Å²	90.2	63%	0.629	53%	0.533	S	S	*	.	H	α-helix	trans	-79.8	-19.5	-176.7	53.6	0	0	0	0	114.7	S68 V69	S68-S72 WeakPolarHBondContact O-CB 3.25Å; S68-S72 PolarHBondContact O-N 3.42Å; S68-S72 PolarHBondContact O-OG 3.36Å; V69-S72 WeakPolarHBondContact CA-OG 3.39Å; V69-S72 PolarHBondContact O-OG 2.89Å
73	S	38.9	Very low	47.8	Very low	72 Å²	72	92.5 Å²	92.5	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-83.3	-21	175.1	49.4	0	0	0	0	114	V69 L70 S75	V69-S73 WeakPolarHBondContact O-CB 3.37Å; V69-S73 PolarHBondContact O-N 2.92Å; V69-S73 VanDerWaalsContact O-N 3.13Å; V69-S73 PolarHBondContact O-OG 2.86Å; L70-S73 PolarHBondContact O-OG 3.42Å; S73-S75 PolarHBondContact O-N 3.5Å
74	N	38	Very low	46.5	Very low	122 Å²	122	91.5 Å²	91.5	65%	0.652	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	54.8	179.4	-80.9	-37.7	0	0	0	114	L70	L70-N74 PolarHBondContact O-ND2 2.89Å; L70-N74 VanDerWaalsContact O-ND2 3.1Å
75	S	39.4	Very low	45.1	Very low	91 Å²	91	88.7 Å²	88.7	64%	0.636	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.3	163.1	58.5	0	0	0	0	113.5	S73	S73-S75 PolarHBondContact O-N 3.5Å
76	G	35.1	Very low	43.9	Very low	43 Å²	43	88.5 Å²	88.5	44%	0.443	52%	0.521	S	S	.	.	S	Bend	trans	-72.6	151.2	171.5	0	0	0	0	0	112.9	S78	G76-S78 PolarHBondContact O-N 3.23Å
77	V	41.9	Very low	43.6	Very low	49 Å²	49	88.1 Å²	88.1	30%	0.297	51%	0.514	S	S	.	.			trans	-64.3	124.1	170.3	177.8	0	0	0	0	108.9	F79 F442	V77-F79 HydrophobicContact CB-CE2 4.34Å; V77-F79 WeakPolarHBondContact O-CD2 3.31Å; V77-F79 WeakPolarHBondContact O-CE2 3.18Å; V77-F79 PolarHBondContact O-N 2.86Å; V77-F442 HydrophobicContact CG1-CD1 4.36Å
78	S	38.1	Very low	43.3	Very low	65 Å²	65	89.3 Å²	89.3	46%	0.455	51%	0.509	S	S	.	.			trans	-74.6	95.2	177.5	54.4	0	0	0	0	110.2	G76 I80	G76-S78 PolarHBondContact O-N 3.23Å; S78-I80 PolarHBondContact O-N 3.12Å
79	F	35.1	Very low	43.6	Very low	146 Å²	146	90.7 Å²	90.7	64%	0.64	52%	0.516	S	S	*	.			trans	-69.1	64.1	175	-64.2	-86.6	0	0	0	112.1	V77 F442	V77-F79 HydrophobicContact CB-CE2 4.34Å; V77-F79 WeakPolarHBondContact O-CD2 3.31Å; V77-F79 WeakPolarHBondContact O-CE2 3.18Å; V77-F79 PolarHBondContact O-N 2.86Å; F79-F442 AromaticContact CE1-CE1 3.98Å; F79-F442 HydrophobicContact CE1-CE1 3.98Å; F79-F442 HydrophobicContact CZ-CE1 4.38Å
80	I	40.5	Very low	44.6	Very low	106 Å²	106	91.6 Å²	91.6	54%	0.544	51%	0.513	S	S	.	.			trans	-70.2	134.3	172	-58.1	178.3	0	0	0	108	S78 R335	S78-I80 PolarHBondContact O-N 3.12Å; I80-R335 VanDerWaalsContact O-CZ 3.23Å; I80-R335 PolarHBondContact O-NH1 3.07Å; I80-R335 PolarHBondContact O-NH2 3.46Å
81	Q	39.7	Very low	46.6	Very low	175 Å²	175	86.9 Å²	86.9	82%	0.818	49%	0.488	S	S	*	.			trans	-73.3	167.8	-178.1	-154.9	161.4	-12.7	0	0	111.4	D83	Q81-D83 PolarHBondContact O-N 2.66Å
82	N	36	Very low	48.6	Very low	90 Å²	90	88.8 Å²	88.8	48%	0.481	49%	0.487	S	S	.	.			trans	-64.7	108.3	-170	-79.4	-7	0	0	0	113.7	R335	N82-R335 PolarHBondContact OD1-NE 3.21Å; N82-R335 PolarHBondContact OD1-NH2 2.92Å
83	D	42	Very low	50.7	Low	103 Å²	103	88.6 Å²	88.6	55%	0.551	48%	0.476	S	S	*	.			trans	-93.7	-2.9	163.3	-165	36.5	0	0	0	112	Q81	Q81-D83 PolarHBondContact O-N 2.66Å
84	Y	44.5	Very low	53.2	Low	40 Å²	40	86.4 Å²	86.4	16%	0.157	46%	0.461	C	S	.	.	S	Bend	trans	-95.7	-28.2	-165	-98.8	-83.4	0	0	0	116.9	L86 D87 K88 R394 Y396	Y84-L86 PolarHBondContact O-N 2.87Å; Y84-D87 HydrophobicContact CD1-CB 4.46Å; Y84-D87 WeakPolarHBondContact O-CB 3.41Å; Y84-D87 PolarHBondContact O-N 2.86Å; Y84-K88 PolarHBondContact O-N 2.79Å; Y84-R394 WeakPolarHBondContact OH-CD 3.44Å; Y84-R394 PolarHBondContact OH-NH1 3.01Å; Y84-Y396 WeakPolarHBondContact CD1-OH 3.48Å; Y84-Y396 WeakPolarHBondContact CD2-OH 3.09Å; Y84-Y396 WeakPolarHBondContact CE2-OH 3.31Å
85	D	42.5	Very low	55.7	Low	112 Å²	112	80.8 Å²	80.8	60%	0.599	43%	0.431	S	S	*	.	H	α-helix	trans	-62.3	-31.3	174	-154.1	8	0	0	0	110.6	D87 T89	D85-D87 PolarHBondContact O-N 2.87Å; D85-T89 WeakPolarHBondContact O-CB 3.34Å; D85-T89 VanDerWaalsContact O-CG2 3.32Å; D85-T89 WeakPolarHBondContact O-CG2 3.48Å; D85-T89 PolarHBondContact O-N 3.37Å; D85-T89 PolarHBondContact O-OG1 3.46Å
86	L	43.9	Very low	58.1	Low	91 Å²	91	76.4 Å²	76.4	48%	0.476	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-15.4	171.1	-173.2	62	0	0	0	114.2	Y84 T89 K90	Y84-L86 PolarHBondContact O-N 2.87Å; L86-T89 VanDerWaalsContact CA-OG1 3.28Å; L86-T89 WeakPolarHBondContact CA-OG1 3.34Å; L86-T89 PolarHBondContact O-OG1 3.23Å; L86-K90 WeakPolarHBondContact O-CD 3.42Å; L86-K90 WeakPolarHBondContact O-CE 3.33Å; L86-K90 WeakPolarHBondContact O-CG 3.45Å
87	D	54.3	Low	60.2	Low	65 Å²	65	75.5 Å²	75.5	35%	0.348	39%	0.386	S	S	.	.	H	α-helix	trans	-92.8	-45.2	179.5	-163.3	51.6	0	0	0	111.3	Y84 D85 T89 K90 C91 R473	Y84-D87 HydrophobicContact CD1-CB 4.46Å; Y84-D87 WeakPolarHBondContact O-CB 3.41Å; Y84-D87 PolarHBondContact O-N 2.86Å; D85-D87 PolarHBondContact O-N 2.87Å; D87-T89 VanDerWaalsContact C-N 3.3Å; D87-T89 PolarHBondContact O-N 2.93Å; D87-K90 WeakPolarHBondContact O-CB 3.4Å; D87-K90 PolarHBondContact O-N 3.02Å; D87-C91 PolarHBondContact O-N 2.9Å; D87-R473 IonicContact OD2-CZ 3.19Å; D87-R473 IonicContact OD2-NH1 2.73Å; D87-R473 PolarHBondContact OD2-NH1 2.84Å
88	K	57	Low	61.3	Low	100 Å²	100	79.5 Å²	79.5	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-60.1	-41	174.3	-167.5	167.1	-171.4	160.9	0	111.7	Y84 K90 C91 N331	Y84-K88 PolarHBondContact O-N 2.79Å; K88-K90 VanDerWaalsContact C-N 3.28Å; K88-K90 PolarHBondContact O-N 3.31Å; K88-C91 PolarHBondContact O-N 2.87Å; K88-N331 PolarHBondContact NZ-OD1 3.17Å
89	T	61.1	Low	62.2	Low	81 Å²	81	79.5 Å²	79.5	50%	0.497	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.1	174.8	49.6	0	0	0	0	114.4	D85 L86 D87	D85-T89 WeakPolarHBondContact O-CB 3.34Å; D85-T89 VanDerWaalsContact O-CG2 3.32Å; D85-T89 WeakPolarHBondContact O-CG2 3.48Å; D85-T89 PolarHBondContact O-N 3.37Å; D85-T89 PolarHBondContact O-OG1 3.46Å; L86-T89 VanDerWaalsContact CA-OG1 3.28Å; L86-T89 WeakPolarHBondContact CA-OG1 3.34Å; L86-T89 PolarHBondContact O-OG1 3.23Å; D87-T89 VanDerWaalsContact C-N 3.3Å; D87-T89 PolarHBondContact O-N 2.93Å
90	K	71.3	Confident	63.3	Low	108 Å²	108	81.1 Å²	81.1	47%	0.47	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-19.6	174.6	-77.8	167	-169.9	159.5	0	114.1	L86 D87 K88 I92 Q93	L86-K90 WeakPolarHBondContact O-CD 3.42Å; L86-K90 WeakPolarHBondContact O-CE 3.33Å; L86-K90 WeakPolarHBondContact O-CG 3.45Å; D87-K90 WeakPolarHBondContact O-CB 3.4Å; D87-K90 PolarHBondContact O-N 3.02Å; K88-K90 VanDerWaalsContact C-N 3.28Å; K88-K90 PolarHBondContact O-N 3.31Å; K90-I92 PolarHBondContact O-N 3.36Å; K90-Q93 PolarHBondContact O-NE2 3.46Å
91	C	87.7	Confident	64.5	Low	2 Å²	2	83.1 Å²	83.1	1%	0.014	41%	0.412	C	S	.	.			trans	-84.9	48.6	-173	-159.3	0	0	0	0	113.5	D87 K88 T161 G251 C252 L330	D87-C91 PolarHBondContact O-N 2.9Å; K88-C91 PolarHBondContact O-N 2.87Å; C91-T161 HydrophobicContact CB-CG2 4.33Å; C91-T161 WeakPolarHBondContact O-CG2 3.34Å; C91-T161 PolarHBondContact O-OG1 3.42Å; C91-G251 CarbonylContact C-O 3.58Å; C91-G251 VanDerWaalsContact C-O 3.31Å; C91-G251 WeakPolarHBondContact O-CA 3.37Å; C91-G251 VanDerWaalsContact SG-C 3.56Å; C91-C252 HydrophobicContact CB-CB 3.9Å; C91-C252 WeakPolarHBondContact CB-SG 3.32Å; C91-C252 WeakPolarHBondContact SG-CB 3.48Å; C91-C252 PolarHBondContact SG-N 3.01Å; C91-C252 CovalentContact SG-SG 2.05Å; C91-C252 PolarHBondContact SG-SG 3.31Å; C91-L330 HydrophobicContact CB-CD1 4.23Å
92	I	88.4	Confident	66.6	Low	114 Å²	114	75.4 Å²	75.4	59%	0.585	38%	0.376	S	S	*	.			trans	-133.1	24.2	-177.5	61	171.4	0	0	0	112.6	K90 Y250 G251	K90-I92 PolarHBondContact O-N 3.36Å; I92-Y250 WeakPolarHBondContact O-CD1 3.21Å; I92-G251 PolarHBondContact N-O 2.73Å
93	Q	89.6	Confident	69.1	Low	85 Å²	85	74.6 Å²	74.6	40%	0.397	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	144.4	-179.4	-61.8	164.7	28.2	0	0	110.2	K90 L95 R99 Y250 G251	K90-Q93 PolarHBondContact O-NE2 3.46Å; Q93-L95 PolarHBondContact O-N 3.33Å; Q93-R99 VanDerWaalsContact OE1-NE 3.1Å; Q93-Y250 CarbonylContact O-C 3.52Å; Q93-Y250 VanDerWaalsContact O-CA 3.26Å; Q93-Y250 WeakPolarHBondContact O-CA 3.37Å; Q93-G251 WeakPolarHBondContact CB-O 3.32Å; Q93-G251 PolarHBondContact N-O 3.47Å; Q93-G251 PolarHBondContact O-N 2.96Å
94	S	90.8	Very high	71.2	Confident	26 Å²	26	73.3 Å²	73.3	18%	0.182	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.9	166.1	161.5	0	0	0	0	109.6	V97 E248	S94-V97 WeakPolarHBondContact OG-CB 3.33Å; S94-V97 WeakPolarHBondContact OG-CG2 3.36Å; S94-V97 PolarHBondContact OG-N 2.94Å; S94-E248 VanDerWaalsContact CB-OE1 3.27Å; S94-E248 WeakPolarHBondContact CB-OE1 3.45Å; S94-E248 PolarHBondContact OG-OE1 3.03Å
95	L	91	Very high	73.4	Confident	4 Å²	4	76.6 Å²	76.6	2%	0.021	40%	0.398	C	S	.	.	S	Bend	trans	-92.5	-32.2	178.7	-60.4	179.1	0	0	0	111.5	Q93 I102 M154 N158 I160 E248 A249	Q93-L95 PolarHBondContact O-N 3.33Å; L95-I102 WeakPolarHBondContact O-CD1 3.25Å; L95-M154 HydrophobicContact CB-SD 4.44Å; L95-M154 HydrophobicContact CD1-SD 4.01Å; L95-N158 HydrophobicContact CD1-CB 4.11Å; L95-I160 HydrophobicContact CD1-CG1 3.99Å; L95-E248 PolarHBondContact N-OE1 3.19Å; L95-A249 HydrophobicContact CB-CB 4.38Å; L95-A249 WeakPolarHBondContact CB-O 3.38Å; L95-A249 HydrophobicContact CD1-CB 4.3Å; L95-A249 PolarHBondContact N-O 3.46Å
96	L	88.5	Confident	75.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.374	C	S	.	.	S	Bend	trans	-92.5	-31.9	-171	-52.9	-175.4	0	0	0	114	I102 I127 I152 M154 L247 E248 A249	L96-I102 HydrophobicContact CD2-CD1 4.27Å; L96-I127 HydrophobicContact CB-CG2 4.35Å; L96-I152 HydrophobicContact CD1-CD1 3.99Å; L96-I152 HydrophobicContact CD2-CG2 3.98Å; L96-M154 HydrophobicContact CD2-CG 4.35Å; L96-L247 WeakPolarHBondContact CD1-O 3.37Å; L96-E248 PolarHBondContact N-OE1 3.22Å; L96-A249 HydrophobicContact CD1-CB 4.35Å; L96-A249 HydrophobicContact CG-CB 4.18Å
97	V	79.3	Confident	77.9	Confident	24 Å²	24	67.9 Å²	67.9	15%	0.145	35%	0.353	C	S	.	.	S	Bend	trans	-75.5	-56.4	-175.4	-176.7	0	0	0	0	112.2	S94 I127 R128	S94-V97 WeakPolarHBondContact OG-CB 3.33Å; S94-V97 WeakPolarHBondContact OG-CG2 3.36Å; S94-V97 PolarHBondContact OG-N 2.94Å; V97-I127 HydrophobicContact CG2-CG2 4.09Å; V97-R128 HydrophobicContact CG1-CG 4.43Å; V97-R128 VanDerWaalsContact O-CG 3.29Å; V97-R128 WeakPolarHBondContact O-CG 3.43Å
98	N	65.4	Low	79.8	Confident	133 Å²	133	68.6 Å²	68.6	71%	0.711	36%	0.357	S	S	*	.	S	Bend	trans	-113.7	-9	-155.4	-83.2	-55.1	0	0	0	116.6	H100	N98-H100 VanDerWaalsContact C-N 3.33Å; N98-H100 PolarHBondContact O-N 3.29Å
99	R	57.5	Low	81.5	Confident	64 Å²	64	64.9 Å²	64.9	24%	0.242	35%	0.345	C	S	.	.	S	Bend	trans	-89.9	59.4	-156.9	-126.5	154	-180	-81.6	-4.5	114.4	Q93 E156	Q93-R99 VanDerWaalsContact OE1-NE 3.1Å; R99-E156 IonicContact NH1-OE1 2.79Å; R99-E156 PolarHBondContact NH1-OE1 3.5Å
100	H	57.4	Low	83.1	Confident	180 Å²	180	63.7 Å²	63.7	83%	0.833	34%	0.338	S	S	*	.	S	Bend	trans	72	46.4	-173.2	-48.7	-68.7	0	0	0	114.6	N98 I102	N98-H100 VanDerWaalsContact C-N 3.33Å; N98-H100 PolarHBondContact O-N 3.29Å; H100-I102 PolarHBondContact O-N 2.97Å
101	Q	66.6	Low	84.1	Confident	148 Å²	148	60.2 Å²	60.2	69%	0.692	33%	0.327	S	S	*	.			trans	51	63.3	160.6	-158.1	167.2	69.5	0	0	114.9
102	I	83.1	Confident	84.2	Confident	14 Å²	14	61.7 Å²	61.7	7%	0.072	33%	0.334	C	S	.	.			trans	-44	127.9	171.3	-63.8	175.5	0	0	0	110.2	L95 L96 H100 A106 F107 A124 R128	L95-I102 WeakPolarHBondContact O-CD1 3.25Å; L96-I102 HydrophobicContact CD2-CD1 4.27Å; H100-I102 PolarHBondContact O-N 2.97Å; I102-A106 HydrophobicContact CG2-CB 3.43Å; I102-A106 VanDerWaalsContact CG2-CB 3.43Å; I102-F107 HydrophobicContact CG2-CE2 3.83Å; I102-A124 WeakPolarHBondContact O-CB 3.4Å; I102-R128 PolarHBondContact O-NH1 3.5Å
103	P	88.5	Confident	84	Confident	73 Å²	73	58.9 Å²	58.9	47%	0.474	32%	0.322	S	S	.	.			trans	-74.9	156.6	-178.2	31.9	-36.2	0	0	0	111.3	S105 A106	P103-S105 WeakPolarHBondContact CG-OG 3.2Å; P103-S105 PolarHBondContact O-N 3.46Å; P103-S105 VanDerWaalsContact O-N 3.16Å; P103-A106 HydrophobicContact CG-CB 4.32Å; P103-A106 VanDerWaalsContact O-CB 3.23Å; P103-A106 WeakPolarHBondContact O-CB 3.4Å; P103-A106 PolarHBondContact O-N 2.86Å
104	D	87.3	Confident	83.3	Confident	76 Å²	76	58.9 Å²	58.9	41%	0.406	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-63.1	-22.6	176.5	-56.5	-62.8	0	0	0	112.5	A106 F107 N123 A124 H125	D104-A106 PolarHBondContact O-N 3.15Å; D104-F107 PolarHBondContact O-N 3.45Å; D104-F107 VanDerWaalsContact O-N 3.16Å; D104-N123 HydrophobicContact CB-CB 4.21Å; D104-N123 WeakPolarHBondContact OD1-CB 3.45Å; D104-N123 PolarHBondContact OD1-OD1 3.43Å; D104-A124 WeakPolarHBondContact OD1-CA 3.41Å; D104-A124 VanDerWaalsContact OD1-CB 3.3Å; D104-A124 WeakPolarHBondContact OD1-CB 3.18Å; D104-A124 PolarHBondContact OD1-N 2.94Å; D104-H125 PolarHBondContact OD1-N 2.82Å
105	S	89.5	Confident	82.4	Confident	109 Å²	109	58.9 Å²	58.9	76%	0.762	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-67.8	-9.8	171.7	64.7	0	0	0	0	114.6	P103 F107	P103-S105 WeakPolarHBondContact CG-OG 3.2Å; P103-S105 PolarHBondContact O-N 3.46Å; P103-S105 VanDerWaalsContact O-N 3.16Å; S105-F107 VanDerWaalsContact C-N 3.29Å
106	A	91.1	Very high	81.4	Confident	12 Å²	12	65.2 Å²	65.2	10%	0.099	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-79.5	-11.8	171.9	0	0	0	0	0	113.1	I102 P103 D104 I152 D153	I102-A106 HydrophobicContact CG2-CB 3.43Å; I102-A106 VanDerWaalsContact CG2-CB 3.43Å; P103-A106 HydrophobicContact CG-CB 4.32Å; P103-A106 VanDerWaalsContact O-CB 3.23Å; P103-A106 WeakPolarHBondContact O-CB 3.4Å; P103-A106 PolarHBondContact O-N 2.86Å; D104-A106 PolarHBondContact O-N 3.15Å; A106-I152 WeakPolarHBondContact O-CA 3.47Å; A106-D153 HydrophobicContact CB-CB 4.43Å; A106-D153 WeakPolarHBondContact CB-O 3.08Å; A106-D153 PolarHBondContact O-N 3.45Å; A106-D153 VanDerWaalsContact O-N 3.08Å
107	F	91.4	Very high	80.3	Confident	7 Å²	7	69.6 Å²	69.6	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	107.9	-177.7	-72.2	-96.5	0	0	0	110.7	I102 D104 S105 K120 Y122 A124 I127 I152	I102-F107 HydrophobicContact CG2-CE2 3.83Å; D104-F107 PolarHBondContact O-N 3.45Å; D104-F107 VanDerWaalsContact O-N 3.16Å; S105-F107 VanDerWaalsContact C-N 3.29Å; F107-K120 PolarHBondContact O-NZ 2.94Å; F107-Y122 HydrophobicContact CD1-CD1 4.08Å; F107-Y122 AromaticContact CD1-CE1 3.94Å; F107-Y122 HydrophobicContact CD1-CE1 3.94Å; F107-Y122 AromaticContact CE1-CE1 3.94Å; F107-Y122 HydrophobicContact CE1-CE1 3.94Å; F107-A124 HydrophobicContact CD2-CB 3.95Å; F107-A124 HydrophobicContact CE2-CB 3.6Å; F107-I127 HydrophobicContact CD1-CD1 4.21Å; F107-I127 HydrophobicContact CE1-CD1 3.29Å; F107-I127 HydrophobicContact CE2-CD1 4.35Å; F107-I127 HydrophobicContact CZ-CD1 3.39Å; F107-I152 HydrophobicContact CD1-CD1 4.17Å; F107-I152 HydrophobicContact CD1-CG1 3.88Å; F107-I152 HydrophobicContact CE1-CD1 3.62Å; F107-I152 HydrophobicContact CE1-CG1 3.76Å; F107-I152 HydrophobicContact CE1-CG2 4.03Å; F107-I152 HydrophobicContact CE2-CG2 4.45Å; F107-I152 HydrophobicContact CZ-CD1 4.43Å; F107-I152 HydrophobicContact CZ-CG2 3.99Å
108	N	93.2	Very high	79.8	Confident	81 Å²	81	71.2 Å²	71.2	43%	0.433	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	160.4	-179.5	-164	21.9	0	0	0	111.1	E151	N108-E151 HydrophobicContact CB-CB 4.32Å; N108-E151 PolarHBondContact N-O 3.16Å; N108-E151 PolarHBondContact O-N 3.43Å
109	A	93.8	Very high	79.9	Confident	22 Å²	22	67.1 Å²	67.1	18%	0.182	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	160.6	178.3	0	0	0	0	0	111.5	W136 Y149	A109-W136 HydrophobicContact CB-CZ2 4.27Å; A109-Y149 VanDerWaalsContact CA-O 3.27Å; A109-Y149 WeakPolarHBondContact CA-O 3.3Å
110	T	93.8	Very high	80.8	Confident	56 Å²	56	68.2 Å²	68.2	34%	0.344	41%	0.41	S	S	.	.	S	Bend	trans	-66.3	-45	172.4	41.8	0	0	0	0	112.9	E148 Y149	T110-E148 VanDerWaalsContact CB-OE2 3.3Å; T110-E148 WeakPolarHBondContact CB-OE2 3.39Å; T110-E148 VanDerWaalsContact OG1-CA 3.29Å; T110-E148 WeakPolarHBondContact OG1-CA 3.37Å; T110-E148 PolarHBondContact OG1-OE2 3.26Å; T110-Y149 HydrophobicContact CG2-CD1 3.33Å; T110-Y149 HydrophobicContact CG2-CD2 4.3Å; T110-Y149 HydrophobicContact CG2-CE1 3.12Å; T110-Y149 HydrophobicContact CG2-CE2 4.14Å; T110-Y149 HydrophobicContact CG2-CG 3.93Å; T110-Y149 PolarHBondContact N-O 3.49Å; T110-Y149 PolarHBondContact OG1-N 2.82Å; T110-Y149 PolarHBondContact OG1-O 3.33Å
111	S	92.5	Very high	81.7	Confident	35 Å²	35	61.2 Å²	61.2	25%	0.245	38%	0.376	C	S	.	.			trans	-153	159.4	175.3	70.7	0	0	0	0	109.4	W136 G139 E148	S111-W136 PolarHBondContact O-NE1 3.34Å; S111-G139 PolarHBondContact OG-N 3.3Å; S111-E148 WeakPolarHBondContact CB-OE2 3.34Å; S111-E148 PolarHBondContact N-OE2 2.94Å; S111-E148 PolarHBondContact OG-OE2 2.78Å
112	E	89.7	Confident	82.5	Confident	32 Å²	32	54.4 Å²	54.4	15%	0.15	34%	0.344	C	S	.	.			trans	-145.8	139.7	176.1	-173.7	170.8	-177.7	0	0	109.3	V114 K120 R121 Y122 C137	E112-V114 PolarHBondContact O-N 3.44Å; E112-V114 VanDerWaalsContact O-N 3.08Å; E112-K120 WeakPolarHBondContact OE1-CA 3.45Å; E112-K120 WeakPolarHBondContact OE2-CB 3.39Å; E112-K120 WeakPolarHBondContact OE2-CD 3.31Å; E112-K120 VanDerWaalsContact OE2-CG 3.24Å; E112-K120 WeakPolarHBondContact OE2-CG 3.35Å; E112-R121 PolarHBondContact OE1-N 3.49Å; E112-Y122 PolarHBondContact OE1-N 3.03Å; E112-C137 CarbonylContact C-O 3.54Å; E112-C137 WeakPolarHBondContact CA-O 3.22Å
113	V	84.8	Confident	82.6	Confident	56 Å²	56	55.1 Å²	55.1	34%	0.339	35%	0.349	S	S	.	.			trans	-73.7	95.8	167.5	-179.7	0	0	0	0	107.9	C137 P138	V113-C137 HydrophobicContact CB-CB 4.23Å; V113-C137 HydrophobicContact CG2-CB 4.15Å; V113-C137 PolarHBondContact N-O 2.82Å; V113-P138 WeakPolarHBondContact CG2-O 3.29Å
114	V	75.2	Confident	82.3	Confident	85 Å²	85	51.7 Å²	51.7	52%	0.515	33%	0.326	S	S	.	.			trans	-69.7	143.3	-178.9	-169.5	0	0	0	0	110.8	E112 G118	E112-V114 PolarHBondContact O-N 3.44Å; E112-V114 VanDerWaalsContact O-N 3.08Å; V114-G118 VanDerWaalsContact CG1-C 3.46Å
115	D	71.1	Confident	82	Confident	26 Å²	26	53.1 Å²	53.1	14%	0.139	33%	0.33	C	S	.	.			trans	-66.6	160.8	173.9	-89.9	-42.8	0	0	0	113.7	S117 G118 A119 R121	D115-S117 WeakPolarHBondContact CB-OG 3.32Å; D115-S117 PolarHBondContact O-N 3.4Å; D115-G118 PolarHBondContact O-N 2.98Å; D115-A119 PolarHBondContact N-O 3.09Å; D115-R121 VanDerWaalsContact CG-NE 3.34Å; D115-R121 IonicContact OD1-CZ 3.19Å; D115-R121 IonicContact OD1-NE 3.4Å; D115-R121 PolarHBondContact OD1-NE 3.32Å; D115-R121 IonicContact OD1-NH2 3.73Å; D115-R121 PolarHBondContact OD1-NH2 2.94Å; D115-R121 WeakPolarHBondContact OD2-CG 3.24Å; D115-R121 IonicContact OD2-NE 3.73Å; D115-R121 PolarHBondContact OD2-NE 3.13Å
116	P	69	Low	81.5	Confident	137 Å²	137	48.2 Å²	48.2	89%	0.89	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.5	164.3	-23.9	34.5	0	0	0	114.2
117	S	66.9	Low	81.1	Confident	91 Å²	91	48 Å²	48	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-8.2	173.8	64.8	0	0	0	0	114.3	D115 A119	D115-S117 WeakPolarHBondContact CB-OG 3.32Å; D115-S117 PolarHBondContact O-N 3.4Å; S117-A119 PolarHBondContact O-N 3.27Å; S117-A119 WeakPolarHBondContact OG-CB 3.4Å; S117-A119 PolarHBondContact OG-N 3.26Å
118	G	67.9	Low	80.5	Confident	58 Å²	58	50.4 Å²	50.4	60%	0.598	30%	0.302	S	S	*	.	S	Bend	trans	76.3	0.1	-172	0	0	0	0	0	114.8	V114 D115	V114-G118 VanDerWaalsContact CG1-C 3.46Å; D115-G118 PolarHBondContact O-N 2.98Å
119	A	66.8	Low	79.6	Confident	48 Å²	48	51 Å²	51	40%	0.397	31%	0.305	S	S	.	.			trans	-78.7	147.8	-178.7	0	0	0	0	0	112.7	D115 S117 R121	D115-A119 PolarHBondContact N-O 3.09Å; S117-A119 PolarHBondContact O-N 3.27Å; S117-A119 WeakPolarHBondContact OG-CB 3.4Å; S117-A119 PolarHBondContact OG-N 3.26Å; A119-R121 PolarHBondContact O-N 2.88Å
120	K	76.4	Confident	78.6	Confident	87 Å²	87	55.6 Å²	55.6	38%	0.378	32%	0.323	S	S	.	.			trans	-66.5	125.4	160.1	-69	-161.2	173.7	-164.9	0	108.8	F107 E112 Y122 N123	F107-K120 PolarHBondContact O-NZ 2.94Å; E112-K120 WeakPolarHBondContact OE1-CA 3.45Å; E112-K120 WeakPolarHBondContact OE2-CB 3.39Å; E112-K120 WeakPolarHBondContact OE2-CD 3.31Å; E112-K120 VanDerWaalsContact OE2-CG 3.24Å; E112-K120 WeakPolarHBondContact OE2-CG 3.35Å; K120-Y122 VanDerWaalsContact C-N 3.29Å; K120-N123 PolarHBondContact O-ND2 3.28Å
121	R	76.9	Confident	77.4	Confident	32 Å²	32	55.6 Å²	55.6	12%	0.121	32%	0.321	C	S	.	.	S	Bend	trans	-65	-38.7	171.4	-75	-169	176	-155.9	6.1	109.9	E112 D115 A119 S126 F134 A135 E171	E112-R121 PolarHBondContact OE1-N 3.49Å; D115-R121 VanDerWaalsContact CG-NE 3.34Å; D115-R121 IonicContact OD1-CZ 3.19Å; D115-R121 IonicContact OD1-NE 3.4Å; D115-R121 PolarHBondContact OD1-NE 3.32Å; D115-R121 IonicContact OD1-NH2 3.73Å; D115-R121 PolarHBondContact OD1-NH2 2.94Å; D115-R121 WeakPolarHBondContact OD2-CG 3.24Å; D115-R121 IonicContact OD2-NE 3.73Å; D115-R121 PolarHBondContact OD2-NE 3.13Å; A119-R121 PolarHBondContact O-N 2.88Å; R121-S126 PolarHBondContact O-OG 3.47Å; R121-F134 HydrophobicContact CB-CD1 3.85Å; R121-F134 HydrophobicContact CG-CD1 3.93Å; R121-F134 HydrophobicContact CG-CE1 4.26Å; R121-F134 WeakPolarHBondContact O-CB 3.37Å; R121-A135 WeakPolarHBondContact CB-O 3.39Å; R121-E171 IonicContact CZ-OE1 2.72Å; R121-E171 VanDerWaalsContact CZ-OE1 3.24Å; R121-E171 IonicContact NH1-OE1 2.74Å; R121-E171 PolarHBondContact NH1-OE1 2.9Å; R121-E171 IonicContact NH2-OE1 2.69Å; R121-E171 PolarHBondContact NH2-OE1 2.72Å; R121-E171 IonicContact NH2-OE2 2.81Å
122	Y	84.4	Confident	76.2	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.02	34%	0.339	C	S	.	.	S	Bend	trans	-104.5	111.7	-174.8	-154.3	-113.4	0	0	0	113.6	F107 E112 K120 I127 W136 V150 R246 L247	F107-Y122 HydrophobicContact CD1-CD1 4.08Å; F107-Y122 AromaticContact CD1-CE1 3.94Å; F107-Y122 HydrophobicContact CD1-CE1 3.94Å; F107-Y122 AromaticContact CE1-CE1 3.94Å; F107-Y122 HydrophobicContact CE1-CE1 3.94Å; E112-Y122 PolarHBondContact OE1-N 3.03Å; K120-Y122 VanDerWaalsContact C-N 3.29Å; Y122-I127 HydrophobicContact CE1-CD1 3.98Å; Y122-I127 HydrophobicContact CE2-CD1 4.09Å; Y122-I127 HydrophobicContact CE2-CG1 3.9Å; Y122-I127 WeakPolarHBondContact OH-CD1 3.38Å; Y122-W136 HydrophobicContact CD1-CB 3.93Å; Y122-W136 HydrophobicContact CD2-CB 4.49Å; Y122-W136 HydrophobicContact CG-CB 3.76Å; Y122-V150 HydrophobicContact CD1-CG2 4.24Å; Y122-V150 HydrophobicContact CE1-CG2 4.46Å; Y122-R246 HydrophobicContact CE2-CB 4.2Å; Y122-R246 HydrophobicContact CE2-CG 4.2Å; Y122-L247 PolarHBondContact OH-N 3.18Å; Y122-L247 PolarHBondContact OH-O 3.46Å
123	N	83.8	Confident	75.4	Confident	30 Å²	30	62.2 Å²	62.2	16%	0.16	36%	0.358	C	S	.	.	S	Bend	trans	-156.3	175.3	-177.8	61.1	64.3	0	0	0	110.7	D104 K120 H125 S126 I127	D104-N123 HydrophobicContact CB-CB 4.21Å; D104-N123 WeakPolarHBondContact OD1-CB 3.45Å; D104-N123 PolarHBondContact OD1-OD1 3.43Å; K120-N123 PolarHBondContact O-ND2 3.28Å; N123-H125 VanDerWaalsContact C-N 3.31Å; N123-H125 PolarHBondContact O-N 3.09Å; N123-H125 WeakPolarHBondContact OD1-CA 3.35Å; N123-H125 VanDerWaalsContact OD1-CB 3.31Å; N123-H125 WeakPolarHBondContact OD1-CB 3.42Å; N123-H125 PolarHBondContact OD1-N 3.39Å; N123-S126 PolarHBondContact N-OG 2.7Å; N123-S126 PolarHBondContact O-N 2.92Å; N123-S126 PolarHBondContact O-OG 3.45Å; N123-S126 PolarHBondContact OD1-N 2.9Å; N123-S126 PolarHBondContact OD1-OG 3.42Å; N123-I127 WeakPolarHBondContact O-CD1 3.39Å; N123-I127 WeakPolarHBondContact O-CG1 3.48Å; N123-I127 PolarHBondContact O-N 2.99Å
124	A	82.7	Confident	75.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-70.3	-28.8	-176.5	0	0	0	0	0	112.2	I102 D104 F107 R128	I102-A124 WeakPolarHBondContact O-CB 3.4Å; D104-A124 WeakPolarHBondContact OD1-CA 3.41Å; D104-A124 VanDerWaalsContact OD1-CB 3.3Å; D104-A124 WeakPolarHBondContact OD1-CB 3.18Å; D104-A124 PolarHBondContact OD1-N 2.94Å; F107-A124 HydrophobicContact CD2-CB 3.95Å; F107-A124 HydrophobicContact CE2-CB 3.6Å; A124-R128 WeakPolarHBondContact O-CB 3.23Å; A124-R128 VanDerWaalsContact O-CG 3.29Å; A124-R128 WeakPolarHBondContact O-CG 3.37Å; A124-R128 VanDerWaalsContact O-CZ 3.24Å; A124-R128 PolarHBondContact O-N 3.35Å; A124-R128 VanDerWaalsContact O-N 3.1Å; A124-R128 PolarHBondContact O-NE 2.96Å
125	H	81.2	Confident	75.8	Confident	107 Å²	107	58.6 Å²	58.6	50%	0.495	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-44.5	173.3	-175.3	85.2	0	0	0	112.6	D104 N123 R128 N129	D104-H125 PolarHBondContact OD1-N 2.82Å; N123-H125 VanDerWaalsContact C-N 3.31Å; N123-H125 PolarHBondContact O-N 3.09Å; N123-H125 WeakPolarHBondContact OD1-CA 3.35Å; N123-H125 VanDerWaalsContact OD1-CB 3.31Å; N123-H125 WeakPolarHBondContact OD1-CB 3.42Å; N123-H125 PolarHBondContact OD1-N 3.39Å; H125-R128 PolarHBondContact O-N 3.49Å; H125-N129 PolarHBondContact CD2-ND2 3.44Å; H125-N129 PolarHBondContact CE1-ND2 3.05Å; H125-N129 PolarHBondContact NE2-ND2 2.92Å; H125-N129 VanDerWaalsContact O-CG 3.27Å; H125-N129 PolarHBondContact O-N 3.28Å; H125-N129 PolarHBondContact O-OD1 2.95Å
126	S	79.2	Confident	76.8	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-68.5	-35.6	179	56.4	0	0	0	0	112.7	R121 N123 E130 N131	R121-S126 PolarHBondContact O-OG 3.47Å; N123-S126 PolarHBondContact N-OG 2.7Å; N123-S126 PolarHBondContact O-N 2.92Å; N123-S126 PolarHBondContact O-OG 3.45Å; N123-S126 PolarHBondContact OD1-N 2.9Å; N123-S126 PolarHBondContact OD1-OG 3.42Å; S126-E130 PolarHBondContact O-N 3.21Å; S126-N131 PolarHBondContact O-N 2.94Å
127	I	81.9	Confident	78	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-48.5	170.5	-66	164.2	0	0	0	111.1	L96 V97 F107 Y122 N123 N129 E130	L96-I127 HydrophobicContact CB-CG2 4.35Å; V97-I127 HydrophobicContact CG2-CG2 4.09Å; F107-I127 HydrophobicContact CD1-CD1 4.21Å; F107-I127 HydrophobicContact CE1-CD1 3.29Å; F107-I127 HydrophobicContact CE2-CD1 4.35Å; F107-I127 HydrophobicContact CZ-CD1 3.39Å; Y122-I127 HydrophobicContact CE1-CD1 3.98Å; Y122-I127 HydrophobicContact CE2-CD1 4.09Å; Y122-I127 HydrophobicContact CE2-CG1 3.9Å; Y122-I127 WeakPolarHBondContact OH-CD1 3.38Å; N123-I127 WeakPolarHBondContact O-CD1 3.39Å; N123-I127 WeakPolarHBondContact O-CG1 3.48Å; N123-I127 PolarHBondContact O-N 2.99Å; I127-N129 VanDerWaalsContact C-N 3.35Å; I127-N129 PolarHBondContact O-N 2.92Å; I127-E130 PolarHBondContact O-N 2.99Å
128	R	78.8	Confident	79.3	Confident	56 Å²	56	47 Å²	47	21%	0.211	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-34.4	-179	-83	-175.1	-66.1	-101.4	1	114.5	V97 I102 A124 H125 E130	V97-R128 HydrophobicContact CG1-CG 4.43Å; V97-R128 VanDerWaalsContact O-CG 3.29Å; V97-R128 WeakPolarHBondContact O-CG 3.43Å; I102-R128 PolarHBondContact O-NH1 3.5Å; A124-R128 WeakPolarHBondContact O-CB 3.23Å; A124-R128 VanDerWaalsContact O-CG 3.29Å; A124-R128 WeakPolarHBondContact O-CG 3.37Å; A124-R128 VanDerWaalsContact O-CZ 3.24Å; A124-R128 PolarHBondContact O-N 3.35Å; A124-R128 VanDerWaalsContact O-N 3.1Å; A124-R128 PolarHBondContact O-NE 2.96Å; H125-R128 PolarHBondContact O-N 3.49Å; R128-E130 PolarHBondContact O-N 3.39Å
129	N	75.5	Confident	80.3	Confident	95 Å²	95	46.4 Å²	46.4	51%	0.508	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.1	176.7	-62.7	-3.1	0	0	0	112.5	H125 I127 N131	H125-N129 PolarHBondContact CD2-ND2 3.44Å; H125-N129 PolarHBondContact CE1-ND2 3.05Å; H125-N129 PolarHBondContact NE2-ND2 2.92Å; H125-N129 VanDerWaalsContact O-CG 3.27Å; H125-N129 PolarHBondContact O-N 3.28Å; H125-N129 PolarHBondContact O-OD1 2.95Å; I127-N129 VanDerWaalsContact C-N 3.35Å; I127-N129 PolarHBondContact O-N 2.92Å; N129-N131 PolarHBondContact O-N 3.15Å
130	E	71.9	Confident	81.4	Confident	118 Å²	118	47.4 Å²	47.4	55%	0.551	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	8.9	-176.6	-57.9	-169.5	153.5	0	0	116.1	S126 I127 R128 T132 R246	S126-E130 PolarHBondContact O-N 3.21Å; I127-E130 PolarHBondContact O-N 2.99Å; R128-E130 PolarHBondContact O-N 3.39Å; E130-T132 PolarHBondContact O-N 3.12Å; E130-R246 VanDerWaalsContact O-CZ 3.28Å; E130-R246 PolarHBondContact O-NH1 2.77Å; E130-R246 PolarHBondContact O-NH2 2.93Å
131	N	68.9	Low	82.2	Confident	56 Å²	56	50.7 Å²	50.7	30%	0.299	25%	0.254	S	S	.	.			trans	-59.2	122.7	-167.7	-178.6	-20.1	0	0	0	111.9	S126 N129 D133 F134 R246	S126-N131 PolarHBondContact O-N 2.94Å; N129-N131 PolarHBondContact O-N 3.15Å; N131-D133 PolarHBondContact O-N 3.12Å; N131-D133 WeakPolarHBondContact OD1-CB 3.41Å; N131-D133 PolarHBondContact OD1-N 2.93Å; N131-F134 HydrophobicContact CB-CD2 3.94Å; N131-F134 WeakPolarHBondContact ND2-CE2 3.33Å; N131-R246 VanDerWaalsContact C-NH1 3.26Å; N131-R246 PolarHBondContact O-NH1 3.23Å
132	T	68.2	Low	83	Confident	103 Å²	103	49.5 Å²	49.5	63%	0.632	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.5	-175	42.2	0	0	0	0	114.4	E130 F134	E130-T132 PolarHBondContact O-N 3.12Å; T132-F134 PolarHBondContact O-N 3.27Å
133	D	71.2	Confident	83.3	Confident	102 Å²	102	50.4 Å²	50.4	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.3	-165.5	-50.2	-10	0	0	0	111.4	N131 L168	N131-D133 PolarHBondContact O-N 3.12Å; N131-D133 WeakPolarHBondContact OD1-CB 3.41Å; N131-D133 PolarHBondContact OD1-N 2.93Å; D133-L168 WeakPolarHBondContact O-CD1 3.15Å
134	F	80.5	Confident	83.6	Confident	65 Å²	65	51.5 Å²	51.5	29%	0.285	27%	0.265	S	S	.	.			trans	-115.8	118.1	-175.7	-72.4	-47.9	0	0	0	112.4	R121 N131 T132	R121-F134 HydrophobicContact CB-CD1 3.85Å; R121-F134 HydrophobicContact CG-CD1 3.93Å; R121-F134 HydrophobicContact CG-CE1 4.26Å; R121-F134 WeakPolarHBondContact O-CB 3.37Å; N131-F134 HydrophobicContact CB-CD2 3.94Å; N131-F134 WeakPolarHBondContact ND2-CE2 3.33Å; T132-F134 PolarHBondContact O-N 3.27Å
135	A	89	Confident	83.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.008	29%	0.286	C	S	.	.			trans	-147.6	158	174.6	0	0	0	0	0	109.3	R121 L168 C244 R246	R121-A135 WeakPolarHBondContact CB-O 3.39Å; A135-L168 HydrophobicContact CB-CB 3.83Å; A135-L168 HydrophobicContact CB-CD2 4.31Å; A135-L168 HydrophobicContact CB-CG 4.48Å; A135-C244 HydrophobicContact CB-CB 4.13Å; A135-R246 HydrophobicContact CB-CB 4.16Å
136	W	92.7	Very high	84.2	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.008	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-76.7	125.7	170.7	173.5	63.3	0	0	0	109.6	A109 S111 Y122 P138 E148 Y149 V150 P235 C244 I245	A109-W136 HydrophobicContact CB-CZ2 4.27Å; S111-W136 PolarHBondContact O-NE1 3.34Å; Y122-W136 HydrophobicContact CD1-CB 3.93Å; Y122-W136 HydrophobicContact CD2-CB 4.49Å; Y122-W136 HydrophobicContact CG-CB 3.76Å; W136-P138 HydrophobicContact CE3-CG 4.43Å; W136-P138 HydrophobicContact CH2-CB 4.42Å; W136-P138 HydrophobicContact CH2-CG 3.64Å; W136-P138 HydrophobicContact CZ2-CB 4.14Å; W136-P138 HydrophobicContact CZ2-CG 3.73Å; W136-P138 HydrophobicContact CZ3-CG 4.01Å; W136-E148 HydrophobicContact CH2-CB 4.3Å; W136-Y149 VanDerWaalsContact CZ2-C 3.46Å; W136-Y149 WeakPolarHBondContact CZ2-O 3.28Å; W136-V150 HydrophobicContact CD2-CB 3.69Å; W136-V150 HydrophobicContact CD2-CG1 4.13Å; W136-V150 HydrophobicContact CE3-CB 3.62Å; W136-V150 HydrophobicContact CE3-CG1 3.55Å; W136-V150 HydrophobicContact CG-CB 4.16Å; W136-V150 HydrophobicContact CG-CG2 4.5Å; W136-V150 HydrophobicContact CH2-CB 4.36Å; W136-V150 VanDerWaalsContact CH2-N 3.34Å; W136-V150 HydrophobicContact CZ2-CB 4.44Å; W136-V150 HydrophobicContact CZ3-CB 3.96Å; W136-V150 HydrophobicContact CZ3-CG1 3.83Å; W136-P235 HydrophobicContact CH2-CG 4.15Å; W136-P235 HydrophobicContact CZ3-CG 4.02Å; W136-C244 CarbonylContact O-C 3.3Å; W136-C244 WeakPolarHBondContact O-CA 3.24Å; W136-C244 WeakPolarHBondContact O-CB 3.3Å; W136-I245 HydrophobicContact CE3-CB 4.22Å; W136-I245 HydrophobicContact CE3-CD1 4.21Å; W136-I245 HydrophobicContact CE3-CG1 4.39Å; W136-I245 HydrophobicContact CZ3-CD1 4.07Å; W136-I245 PolarHBondContact N-O 3.42Å; W136-I245 PolarHBondContact O-N 3.38Å
137	C	93	Very high	84.7	Confident	5 Å²	5	54.8 Å²	54.8	3%	0.034	28%	0.283	C	S	.	.			trans	-122.5	120.5	174	-53.8	0	0	0	0	108.3	E112 V113 C244	E112-C137 CarbonylContact C-O 3.54Å; E112-C137 WeakPolarHBondContact CA-O 3.22Å; V113-C137 HydrophobicContact CB-CB 4.23Å; V113-C137 HydrophobicContact CG2-CB 4.15Å; V113-C137 PolarHBondContact N-O 2.82Å; C137-C244 HydrophobicContact CB-CB 4.13Å; C137-C244 WeakPolarHBondContact CB-SG 3.26Å; C137-C244 WeakPolarHBondContact SG-CB 3.41Å; C137-C244 CovalentContact SG-SG 2.04Å; C137-C244 PolarHBondContact SG-SG 3.44Å
138	P	93.6	Very high	85.4	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.026	29%	0.287	C	S	.	.			trans	-61.4	147.5	176.3	-19.7	30.2	0	0	0	112.1	V113 W136 I142 E148 P235 V243	V113-P138 WeakPolarHBondContact CG2-O 3.29Å; W136-P138 HydrophobicContact CE3-CG 4.43Å; W136-P138 HydrophobicContact CH2-CB 4.42Å; W136-P138 HydrophobicContact CH2-CG 3.64Å; W136-P138 HydrophobicContact CZ2-CB 4.14Å; W136-P138 HydrophobicContact CZ2-CG 3.73Å; W136-P138 HydrophobicContact CZ3-CG 4.01Å; P138-I142 HydrophobicContact CB-CD1 3.93Å; P138-I142 HydrophobicContact CB-CG1 4.42Å; P138-I142 HydrophobicContact CG-CD1 3.9Å; P138-I142 HydrophobicContact CG-CG1 4.05Å; P138-E148 HydrophobicContact CB-CB 4.3Å; P138-E148 HydrophobicContact CB-CG 4.11Å; P138-P235 HydrophobicContact CG-CG 4.29Å; P138-V243 HydrophobicContact CG-CG2 3.71Å
139	G	89.7	Confident	86.2	Confident	44 Å²	44	54.9 Å²	54.9	45%	0.454	29%	0.285	S	S	.	.	S	Bend	trans	-69.1	-36.9	178.4	0	0	0	0	0	113.6	S111	S111-G139 PolarHBondContact OG-N 3.3Å
140	K	90.5	Very high	87.1	Confident	69 Å²	69	50.5 Å²	50.5	30%	0.3	26%	0.261	S	S	.	.	S	Bend	trans	-90.3	156.5	172.2	71.3	168.7	175.3	168.6	0	112.5	E145 D147 E148	K140-E145 IonicContact NZ-OE2 3.93Å; K140-E145 PolarHBondContact NZ-OE2 3.02Å; K140-D147 IonicContact NZ-OD2 3.4Å; K140-D147 PolarHBondContact NZ-OD2 2.86Å; K140-E148 HydrophobicContact CD-CG 4.31Å; K140-E148 VanDerWaalsContact CE-OE1 3.26Å; K140-E148 WeakPolarHBondContact CE-OE1 3.41Å; K140-E148 HydrophobicContact CG-CG 3.76Å; K140-E148 WeakPolarHBondContact CG-OE1 3.43Å
141	R	92.5	Very high	88.2	Confident	156 Å²	156	46.3 Å²	46.3	59%	0.589	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-63.5	136.9	167	-67.6	-178.8	-176.9	176.7	4.7	108.7	F242	R141-F242 HydrophobicContact CG-CD1 3.95Å; R141-F242 HydrophobicContact CG-CD2 4.34Å; R141-F242 HydrophobicContact CG-CE1 3.67Å; R141-F242 HydrophobicContact CG-CE2 4.1Å; R141-F242 HydrophobicContact CG-CG 4.29Å; R141-F242 HydrophobicContact CG-CZ 3.76Å
142	I	93.9	Very high	89.4	Confident	7 Å²	7	43.7 Å²	43.7	4%	0.036	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-85.5	137.8	177.9	-60.9	-53.2	0	0	0	110	P138 E148 P235 P240 G241 V243	P138-I142 HydrophobicContact CB-CD1 3.93Å; P138-I142 HydrophobicContact CB-CG1 4.42Å; P138-I142 HydrophobicContact CG-CD1 3.9Å; P138-I142 HydrophobicContact CG-CG1 4.05Å; I142-E148 HydrophobicContact CD1-CB 3.64Å; I142-E148 HydrophobicContact CD1-CG 3.55Å; I142-P235 HydrophobicContact CD1-CG 3.92Å; I142-P235 HydrophobicContact CG1-CB 4.25Å; I142-P235 HydrophobicContact CG1-CG 3.89Å; I142-P235 HydrophobicContact CG2-CB 4.17Å; I142-P235 HydrophobicContact CG2-CG 4.37Å; I142-P235 WeakPolarHBondContact CG2-O 3.33Å; I142-P240 CarbonylContact O-C 3.54Å; I142-P240 VanDerWaalsContact O-CA 3.28Å; I142-P240 WeakPolarHBondContact O-CA 3.4Å; I142-G241 PolarHBondContact N-O 2.96Å; I142-G241 PolarHBondContact O-N 3.5Å; I142-V243 HydrophobicContact CB-CG1 3.98Å; I142-V243 HydrophobicContact CB-CG2 4.41Å; I142-V243 HydrophobicContact CG1-CB 4.45Å; I142-V243 HydrophobicContact CG1-CG1 4.05Å; I142-V243 HydrophobicContact CG1-CG2 3.56Å; I142-V243 HydrophobicContact CG2-CG1 4.49Å
143	S	90.3	Very high	90.6	Very high	25 Å²	25	40.5 Å²	40.5	18%	0.175	21%	0.207	C	C	.	.			trans	-135.8	-157.8	177.5	-171.2	0	0	0	0	108.1	E145 R237	S143-E145 PolarHBondContact O-N 2.91Å; S143-R237 CarbonylContact C-O 3.31Å; S143-R237 VanDerWaalsContact C-O 3.3Å
144	T	90.8	Very high	91.6	Very high	52 Å²	52	36.3 Å²	36.3	32%	0.319	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.6	178.4	60.8	0	0	0	0	114.9	Y236	T144-Y236 HydrophobicContact CG2-CE1 4.46Å; T144-Y236 HydrophobicContact CG2-CE2 4.05Å; T144-Y236 WeakPolarHBondContact CG2-OH 3.27Å
145	E	87.8	Confident	92	Very high	97 Å²	97	35.4 Å²	35.4	45%	0.453	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-28	-169.8	-63.1	170.5	168.1	0	0	114.8	K140 S143 D147	K140-E145 IonicContact NZ-OE2 3.93Å; K140-E145 PolarHBondContact NZ-OE2 3.02Å; S143-E145 PolarHBondContact O-N 2.91Å; E145-D147 PolarHBondContact O-N 3.48Å
146	C	87.5	Confident	92.1	Very high	16 Å²	16	37.7 Å²	37.7	11%	0.108	20%	0.203	C	C	.	.			trans	56.6	25.9	-177.7	-84.9	0	0	0	0	116.1	Y234 C720	C146-Y234 WeakPolarHBondContact O-CD1 3.47Å; C146-Y234 WeakPolarHBondContact O-CE1 3.38Å; C146-C720 HydrophobicContact CB-CB 3.72Å; C146-C720 WeakPolarHBondContact CB-SG 3.22Å; C146-C720 WeakPolarHBondContact SG-CB 3.49Å; C146-C720 CovalentContact SG-SG 2.04Å; C146-C720 PolarHBondContact SG-SG 2.96Å
147	D	91.1	Very high	92.1	Very high	69 Å²	69	38 Å²	38	37%	0.369	21%	0.205	S	C	.	.			trans	-75.7	-44.6	175.1	-65.6	-46.3	0	0	0	113.5	K140 E145 Y149	K140-D147 IonicContact NZ-OD2 3.4Å; K140-D147 PolarHBondContact NZ-OD2 2.86Å; E145-D147 PolarHBondContact O-N 3.48Å; D147-Y149 WeakPolarHBondContact O-CD1 3.36Å
148	E	95.1	Very high	92.1	Very high	23 Å²	23	38 Å²	38	11%	0.107	21%	0.205	C	C	.	.			trans	-77.2	141.1	-171.5	-62.3	-62.6	136.4	0	0	112.1	T110 S111 W136 P138 K140 I142 Y234 P235	T110-E148 VanDerWaalsContact CB-OE2 3.3Å; T110-E148 WeakPolarHBondContact CB-OE2 3.39Å; T110-E148 VanDerWaalsContact OG1-CA 3.29Å; T110-E148 WeakPolarHBondContact OG1-CA 3.37Å; T110-E148 PolarHBondContact OG1-OE2 3.26Å; S111-E148 WeakPolarHBondContact CB-OE2 3.34Å; S111-E148 PolarHBondContact N-OE2 2.94Å; S111-E148 PolarHBondContact OG-OE2 2.78Å; W136-E148 HydrophobicContact CH2-CB 4.3Å; P138-E148 HydrophobicContact CB-CB 4.3Å; P138-E148 HydrophobicContact CB-CG 4.11Å; K140-E148 HydrophobicContact CD-CG 4.31Å; K140-E148 VanDerWaalsContact CE-OE1 3.26Å; K140-E148 WeakPolarHBondContact CE-OE1 3.41Å; K140-E148 HydrophobicContact CG-CG 3.76Å; K140-E148 WeakPolarHBondContact CG-OE1 3.43Å; I142-E148 HydrophobicContact CD1-CB 3.64Å; I142-E148 HydrophobicContact CD1-CG 3.55Å; E148-Y234 VanDerWaalsContact O-CD1 3.22Å; E148-Y234 WeakPolarHBondContact O-CD1 3.27Å; E148-P235 WeakPolarHBondContact O-CD 3.2Å
149	Y	95.6	Very high	92.2	Very high	43 Å²	43	38 Å²	38	17%	0.169	21%	0.205	C	C	.	.			trans	-153.9	153.3	171.8	58.4	-89.2	0	0	0	112.9	A109 T110 W136 D147 E151 R232 I233 Y234	A109-Y149 VanDerWaalsContact CA-O 3.27Å; A109-Y149 WeakPolarHBondContact CA-O 3.3Å; T110-Y149 HydrophobicContact CG2-CD1 3.33Å; T110-Y149 HydrophobicContact CG2-CD2 4.3Å; T110-Y149 HydrophobicContact CG2-CE1 3.12Å; T110-Y149 HydrophobicContact CG2-CE2 4.14Å; T110-Y149 HydrophobicContact CG2-CG 3.93Å; T110-Y149 PolarHBondContact N-O 3.49Å; T110-Y149 PolarHBondContact OG1-N 2.82Å; T110-Y149 PolarHBondContact OG1-O 3.33Å; W136-Y149 VanDerWaalsContact CZ2-C 3.46Å; W136-Y149 WeakPolarHBondContact CZ2-O 3.28Å; D147-Y149 WeakPolarHBondContact O-CD1 3.36Å; Y149-E151 HydrophobicContact CD2-CB 4.09Å; Y149-E151 HydrophobicContact CE2-CB 4.14Å; Y149-R232 HydrophobicContact CD2-CB 4.26Å; Y149-R232 HydrophobicContact CD2-CG 3.7Å; Y149-R232 HydrophobicContact CE2-CG 4.16Å; Y149-R232 VanDerWaalsContact CE2-NE 3.3Å; Y149-R232 HydrophobicContact CG-CB 4.43Å; Y149-R232 HydrophobicContact CG-CG 4.28Å; Y149-R232 VanDerWaalsContact OH-CZ 3.31Å; Y149-R232 PolarHBondContact OH-NH1 3.47Å; Y149-R232 PolarHBondContact OH-NH2 3.47Å; Y149-R232 VanDerWaalsContact OH-NH2 3.14Å; Y149-I233 VanDerWaalsContact CA-O 3.3Å; Y149-I233 WeakPolarHBondContact CA-O 3.48Å; Y149-Y234 HydrophobicContact CD1-CD1 4.23Å; Y149-Y234 AromaticContact CD1-CE1 3.39Å; Y149-Y234 HydrophobicContact CD1-CE1 3.39Å; Y149-Y234 HydrophobicContact CD1-CE2 4.35Å; Y149-Y234 AromaticContact CD1-CZ 3.45Å; Y149-Y234 VanDerWaalsContact CD1-CZ 3.45Å; Y149-Y234 WeakPolarHBondContact CD1-OH 3.46Å; Y149-Y234 HydrophobicContact CE1-CE1 4.33Å; Y149-Y234 AromaticContact CG-CE1 3.95Å; Y149-Y234 HydrophobicContact CG-CE1 3.95Å; Y149-Y234 HydrophobicContact CG-CE2 4.25Å; Y149-Y234 AromaticContact CG-CZ 3.8Å
150	V	94.8	Very high	92.4	Very high	3 Å²	3	36 Å²	36	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.6	157.6	57.4	0	0	0	0	108.8	Y122 W136 R232 I233	Y122-V150 HydrophobicContact CD1-CG2 4.24Å; Y122-V150 HydrophobicContact CE1-CG2 4.46Å; W136-V150 HydrophobicContact CD2-CB 3.69Å; W136-V150 HydrophobicContact CD2-CG1 4.13Å; W136-V150 HydrophobicContact CE3-CB 3.62Å; W136-V150 HydrophobicContact CE3-CG1 3.55Å; W136-V150 HydrophobicContact CG-CB 4.16Å; W136-V150 HydrophobicContact CG-CG2 4.5Å; W136-V150 HydrophobicContact CH2-CB 4.36Å; W136-V150 VanDerWaalsContact CH2-N 3.34Å; W136-V150 HydrophobicContact CZ2-CB 4.44Å; W136-V150 HydrophobicContact CZ3-CB 3.96Å; W136-V150 HydrophobicContact CZ3-CG1 3.83Å; V150-R232 CarbonylContact O-C 3.54Å; V150-R232 VanDerWaalsContact O-CA 3.26Å; V150-R232 WeakPolarHBondContact O-CA 3.32Å; V150-I233 HydrophobicContact CG1-CB 3.93Å; V150-I233 HydrophobicContact CG1-CG1 4.35Å; V150-I233 PolarHBondContact N-O 3.34Å; V150-I233 PolarHBondContact O-N 2.99Å
151	E	95.1	Very high	92.6	Very high	31 Å²	31	33.9 Å²	33.9	15%	0.145	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.7	179.1	-177.5	178.9	101.2	0	0	110.2	N108 Y149 W194 I231 R232	N108-E151 HydrophobicContact CB-CB 4.32Å; N108-E151 PolarHBondContact N-O 3.16Å; N108-E151 PolarHBondContact O-N 3.43Å; Y149-E151 HydrophobicContact CD2-CB 4.09Å; Y149-E151 HydrophobicContact CE2-CB 4.14Å; E151-W194 HydrophobicContact CG-CH2 4.15Å; E151-W194 WeakPolarHBondContact OE2-CH2 3.33Å; E151-W194 VanDerWaalsContact OE2-CZ2 3.25Å; E151-W194 WeakPolarHBondContact OE2-CZ2 3.11Å; E151-I231 WeakPolarHBondContact CA-O 3.48Å; E151-R232 HydrophobicContact CB-CG 3.96Å; E151-R232 HydrophobicContact CG-CG 3.99Å; E151-R232 IonicContact OE2-CZ 3.4Å; E151-R232 IonicContact OE2-NE 3.98Å; E151-R232 PolarHBondContact OE2-NE 3.43Å; E151-R232 IonicContact OE2-NH2 2.8Å; E151-R232 PolarHBondContact OE2-NH2 2.61Å
152	I	94.5	Very high	92.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	124.9	178.8	-52.4	174.4	0	0	0	109.5	L96 A106 F107 W230 I231 L247	L96-I152 HydrophobicContact CD1-CD1 3.99Å; L96-I152 HydrophobicContact CD2-CG2 3.98Å; A106-I152 WeakPolarHBondContact O-CA 3.47Å; F107-I152 HydrophobicContact CD1-CD1 4.17Å; F107-I152 HydrophobicContact CD1-CG1 3.88Å; F107-I152 HydrophobicContact CE1-CD1 3.62Å; F107-I152 HydrophobicContact CE1-CG1 3.76Å; F107-I152 HydrophobicContact CE1-CG2 4.03Å; F107-I152 HydrophobicContact CE2-CG2 4.45Å; F107-I152 HydrophobicContact CZ-CD1 4.43Å; F107-I152 HydrophobicContact CZ-CG2 3.99Å; I152-W230 WeakPolarHBondContact O-CA 3.21Å; I152-I231 HydrophobicContact CB-CG1 4.11Å; I152-I231 PolarHBondContact N-O 2.88Å; I152-I231 PolarHBondContact O-N 3.18Å; I152-I231 VanDerWaalsContact O-N 3.07Å; I152-L247 HydrophobicContact CD1-CD2 3.61Å
153	D	93.7	Very high	92.7	Very high	36 Å²	36	28.6 Å²	28.6	19%	0.193	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.6	167.7	-172.7	-5.7	0	0	0	110.5	A106 G155 R229 W230	A106-D153 HydrophobicContact CB-CB 4.43Å; A106-D153 WeakPolarHBondContact CB-O 3.08Å; A106-D153 PolarHBondContact O-N 3.45Å; A106-D153 VanDerWaalsContact O-N 3.08Å; D153-G155 PolarHBondContact O-N 3Å; D153-G155 WeakPolarHBondContact OD1-CA 2.99Å; D153-G155 PolarHBondContact OD1-N 2.99Å; D153-R229 WeakPolarHBondContact OD1-CG 3.31Å; D153-R229 IonicContact OD1-CZ 3.24Å; D153-R229 IonicContact OD1-NE 2.79Å; D153-R229 PolarHBondContact OD1-NE 2.89Å; D153-R229 IonicContact OD1-NH2 2.76Å; D153-R229 PolarHBondContact OD1-NH2 3.39Å; D153-R229 IonicContact OD2-CZ 3.12Å; D153-R229 IonicContact OD2-NE 3.04Å; D153-R229 IonicContact OD2-NH2 2.68Å; D153-R229 PolarHBondContact OD2-NH2 2.91Å; D153-W230 PolarHBondContact OD2-NE1 3.1Å
154	M	92.4	Very high	92.8	Very high	15 Å²	15	28 Å²	28	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	2.1	176.9	-61	178.3	-70.8	0	0	113.3	L95 L96 E156 N158 I160 A228 R229	L95-M154 HydrophobicContact CB-SD 4.44Å; L95-M154 HydrophobicContact CD1-SD 4.01Å; L96-M154 HydrophobicContact CD2-CG 4.35Å; M154-E156 PolarHBondContact O-N 3.46Å; M154-N158 HydrophobicContact CE-CB 4.01Å; M154-N158 HydrophobicContact SD-CB 4.2Å; M154-I160 HydrophobicContact CE-CD1 3.87Å; M154-I160 HydrophobicContact CE-CG1 4.26Å; M154-I160 HydrophobicContact SD-CD1 4.3Å; M154-A228 WeakPolarHBondContact CE-O 3.31Å; M154-R229 WeakPolarHBondContact CB-O 3.43Å; M154-R229 VanDerWaalsContact CE-O 3.3Å; M154-R229 WeakPolarHBondContact CE-O 3.28Å; M154-R229 PolarHBondContact N-O 3.07Å
155	G	89.5	Confident	92.9	Very high	45 Å²	45	25.5 Å²	25.5	46%	0.464	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.1	-34.4	178.2	0	0	0	0	0	114.9	D153 R229	D153-G155 PolarHBondContact O-N 3Å; D153-G155 WeakPolarHBondContact OD1-CA 2.99Å; D153-G155 PolarHBondContact OD1-N 2.99Å; G155-R229 PolarHBondContact O-NE 2.76Å; G155-R229 PolarHBondContact O-NH1 3.01Å; G155-R229 VanDerWaalsContact O-NH1 3.15Å
156	E	89.9	Confident	93	Very high	49 Å²	49	22 Å²	22	23%	0.229	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	166.4	177	66.9	-178.3	-160.6	0	0	112.2	R99 M154 N158 R253	R99-E156 IonicContact NH1-OE1 2.79Å; R99-E156 PolarHBondContact NH1-OE1 3.5Å; M154-E156 PolarHBondContact O-N 3.46Å; E156-N158 WeakPolarHBondContact CG-ND2 3.13Å; E156-N158 PolarHBondContact O-ND2 2.69Å; E156-R253 WeakPolarHBondContact OE1-CB 2.88Å; E156-R253 VanDerWaalsContact OE1-CD 3.31Å; E156-R253 WeakPolarHBondContact OE1-CD 3.42Å; E156-R253 WeakPolarHBondContact OE1-CG 3.42Å; E156-R253 IonicContact OE1-NH1 2.77Å; E156-R253 IonicContact OE2-CZ 3.63Å; E156-R253 IonicContact OE2-NE 3.9Å; E156-R253 PolarHBondContact OE2-NE 3Å; E156-R253 IonicContact OE2-NH1 3.21Å; E156-R253 PolarHBondContact OE2-NH1 3.1Å; E156-R253 IonicContact OE2-NH2 3.79Å
157	L	92.9	Very high	93.2	Very high	9 Å²	9	21.5 Å²	21.5	5%	0.047	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.3	177.9	-165.4	62.8	0	0	0	109.7	R187 I227 R229 F254 L258 V259	L157-R187 HydrophobicContact CD1-CB 4.03Å; L157-R187 HydrophobicContact CD1-CG 3.88Å; L157-I227 HydrophobicContact CD1-CG2 4.11Å; L157-I227 HydrophobicContact CD2-CG2 4.14Å; L157-I227 HydrophobicContact CG-CG2 4.03Å; L157-R229 HydrophobicContact CD1-CB 4.27Å; L157-F254 HydrophobicContact CD2-CD1 3.74Å; L157-F254 HydrophobicContact CD2-CE1 4.44Å; L157-F254 HydrophobicContact CG-CB 4.35Å; L157-F254 HydrophobicContact CG-CD1 4.14Å; L157-F254 PolarHBondContact O-N 3.19Å; L157-L258 WeakPolarHBondContact CD2-O 3.5Å; L157-V259 HydrophobicContact CD2-CG1 4.04Å
158	N	93.8	Very high	93.1	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.5	-176.5	-73.4	-88.3	0	0	0	110.8	L95 M154 E156 I227 A228 C252 R253	L95-N158 HydrophobicContact CD1-CB 4.11Å; M154-N158 HydrophobicContact CE-CB 4.01Å; M154-N158 HydrophobicContact SD-CB 4.2Å; E156-N158 WeakPolarHBondContact CG-ND2 3.13Å; E156-N158 PolarHBondContact O-ND2 2.69Å; N158-I227 WeakPolarHBondContact O-CA 3.26Å; N158-A228 PolarHBondContact N-O 3.36Å; N158-A228 PolarHBondContact O-N 3.07Å; N158-A228 VanDerWaalsContact O-O 3.13Å; N158-C252 CarbonylContact C-O 3.51Å; N158-C252 WeakPolarHBondContact CA-O 3.33Å; N158-C252 PolarHBondContact OD1-O 3.35Å; N158-R253 WeakPolarHBondContact OD1-CA 3.01Å; N158-R253 PolarHBondContact OD1-N 2.85Å
159	I	94.5	Very high	92.6	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.6	164.6	-45.3	-177.4	0	0	0	106.8	T161 P225 I227 G251 C252 F254 L330	I159-T161 HydrophobicContact CG2-CG2 4.48Å; I159-P225 HydrophobicContact CG2-CB 3.69Å; I159-I227 HydrophobicContact CG1-CG1 4.33Å; I159-I227 HydrophobicContact CG2-CG1 4.46Å; I159-G251 CarbonylContact O-C 3.56Å; I159-G251 WeakPolarHBondContact O-CA 3.28Å; I159-C252 PolarHBondContact N-O 2.86Å; I159-C252 PolarHBondContact O-N 2.87Å; I159-F254 HydrophobicContact CD1-CB 4.39Å; I159-F254 HydrophobicContact CD1-CD2 3.71Å; I159-F254 HydrophobicContact CD1-CE2 4.33Å; I159-F254 HydrophobicContact CD1-CG 4.23Å; I159-F254 HydrophobicContact CG1-CB 3.75Å; I159-F254 HydrophobicContact CG1-CD2 3.98Å; I159-F254 HydrophobicContact CG1-CG 3.96Å; I159-L330 HydrophobicContact CD1-CD1 3.76Å; I159-L330 HydrophobicContact CD1-CD2 3.71Å; I159-L330 HydrophobicContact CD1-CG 3.87Å; I159-L330 HydrophobicContact CG2-CD1 4.01Å
160	I	95	Very high	91.6	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.4	175.4	-48.1	175	0	0	0	108	L95 M154 V163 L222 P225 L226 A228 I231 A249 Y250	L95-I160 HydrophobicContact CD1-CG1 3.99Å; M154-I160 HydrophobicContact CE-CD1 3.87Å; M154-I160 HydrophobicContact CE-CG1 4.26Å; M154-I160 HydrophobicContact SD-CD1 4.3Å; I160-V163 HydrophobicContact CG2-CG1 3.99Å; I160-L222 HydrophobicContact CB-CD1 4.15Å; I160-L222 HydrophobicContact CG2-CD1 3.83Å; I160-P225 WeakPolarHBondContact O-CA 3.48Å; I160-L226 HydrophobicContact CB-CB 4.31Å; I160-L226 HydrophobicContact CD1-CD2 4.27Å; I160-L226 HydrophobicContact CD1-CG 4.43Å; I160-L226 PolarHBondContact N-O 2.89Å; I160-L226 PolarHBondContact O-N 3.41Å; I160-A228 HydrophobicContact CD1-CB 4.48Å; I160-I231 HydrophobicContact CD1-CD1 4.3Å; I160-I231 HydrophobicContact CD1-CG2 3.64Å; I160-A249 HydrophobicContact CG2-CB 4.33Å; I160-Y250 CarbonylContact C-O 3.49Å; I160-Y250 WeakPolarHBondContact CA-O 3.45Å
161	T	94.3	Very high	90.4	Very high	25 Å²	25	27.4 Å²	27.4	15%	0.153	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-23.3	-179.3	54.9	0	0	0	0	112.5	C91 I159 L222 P225 Y250	C91-T161 HydrophobicContact CB-CG2 4.33Å; C91-T161 WeakPolarHBondContact O-CG2 3.34Å; C91-T161 PolarHBondContact O-OG1 3.42Å; I159-T161 HydrophobicContact CG2-CG2 4.48Å; T161-L222 PolarHBondContact O-N 3.4Å; T161-P225 HydrophobicContact CG2-CB 4.3Å; T161-Y250 PolarHBondContact N-O 3.14Å; T161-Y250 PolarHBondContact OG1-O 2.69Å
162	K	93.5	Very high	89	Confident	51 Å²	51	30.1 Å²	30.1	22%	0.222	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	139.8	-177.5	179.6	-167	75.1	-175.2	0	110.6	F219 V220 V221 Y250	K162-F219 HydrophobicContact CD-CD1 4.09Å; K162-V220 CarbonylContact C-O 3.49Å; K162-V220 VanDerWaalsContact CA-O 3.31Å; K162-V220 WeakPolarHBondContact CA-O 3.4Å; K162-V220 WeakPolarHBondContact CG-O 3.25Å; K162-V221 HydrophobicContact CG-CG2 4.42Å; K162-Y250 VanDerWaalsContact CE-CG 3.47Å; K162-Y250 PolarHBondContact N-O 3.13Å; K162-Y250 PolarHBondContact O-N 3.13Å
163	V	94.7	Very high	87.8	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	156	165.6	-61.8	0	0	0	0	110.6	I160 F181 I183 V220 L222 L247 E248	I160-V163 HydrophobicContact CG2-CG1 3.99Å; V163-F181 HydrophobicContact CG2-CE2 4.25Å; V163-F181 HydrophobicContact CG2-CZ 4.07Å; V163-I183 HydrophobicContact CG1-CD1 4.46Å; V163-I183 HydrophobicContact CG2-CD1 4.37Å; V163-V220 HydrophobicContact CG2-CB 3.92Å; V163-V220 PolarHBondContact N-O 2.91Å; V163-V220 PolarHBondContact O-N 3.07Å; V163-L222 HydrophobicContact CG1-CD1 4.4Å; V163-L247 HydrophobicContact CB-CD1 4.09Å; V163-L247 HydrophobicContact CG1-CD1 4.49Å; V163-E248 CarbonylContact C-O 3.52Å; V163-E248 WeakPolarHBondContact CA-O 3.39Å
164	V	92.9	Very high	87	Confident	13 Å²	13	32.9 Å²	32.9	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.7	176	-174.8	0	0	0	0	108.6	P217 K218 F219 L247 E248 Y250	V164-P217 HydrophobicContact CG1-CB 3.77Å; V164-K218 CarbonylContact C-O 3.53Å; V164-K218 VanDerWaalsContact CA-O 3.27Å; V164-K218 WeakPolarHBondContact CA-O 3.47Å; V164-F219 HydrophobicContact CB-CD1 4.43Å; V164-F219 HydrophobicContact CG1-CD1 4.21Å; V164-F219 HydrophobicContact CG1-CE1 4.17Å; V164-F219 HydrophobicContact CG2-CD1 3.37Å; V164-F219 HydrophobicContact CG2-CE1 3.68Å; V164-F219 HydrophobicContact CG2-CG 4.23Å; V164-L247 CarbonylContact O-C 3.58Å; V164-L247 VanDerWaalsContact O-CA 3.29Å; V164-L247 WeakPolarHBondContact O-CA 3.38Å; V164-E248 HydrophobicContact CB-CB 4.38Å; V164-E248 PolarHBondContact N-O 2.96Å; V164-E248 PolarHBondContact O-N 3.45Å; V164-Y250 HydrophobicContact CB-CE2 4.43Å; V164-Y250 HydrophobicContact CG2-CD2 3.95Å; V164-Y250 HydrophobicContact CG2-CE2 3.53Å
165	I	92.4	Very high	86.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.3	179.9	-69.9	-178.9	0	0	0	110.3	F181 K218 I233 I245 R246 L247	I165-F181 HydrophobicContact CD1-CD1 3.8Å; I165-F181 HydrophobicContact CD1-CD2 3.77Å; I165-F181 HydrophobicContact CD1-CE1 3.73Å; I165-F181 HydrophobicContact CD1-CE2 3.65Å; I165-F181 HydrophobicContact CD1-CG 3.83Å; I165-F181 HydrophobicContact CD1-CZ 3.64Å; I165-K218 PolarHBondContact N-O 2.57Å; I165-K218 WeakPolarHBondContact O-CB 3.47Å; I165-K218 PolarHBondContact O-N 2.9Å; I165-I233 HydrophobicContact CD1-CG2 4.09Å; I165-I245 HydrophobicContact CG1-CG2 4.45Å; I165-I245 HydrophobicContact CG2-CG2 4.27Å; I165-R246 WeakPolarHBondContact CA-O 3.29Å; I165-L247 HydrophobicContact CD1-CD1 3.94Å; I165-L247 HydrophobicContact CG1-CD1 3.5Å
166	S	90.3	Very high	86.7	Confident	23 Å²	23	36 Å²	36	16%	0.161	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	169.6	165.4	71.3	0	0	0	0	110.6	I245 R246	S166-I245 WeakPolarHBondContact O-CA 3.08Å; S166-R246 PolarHBondContact N-O 2.93Å; S166-R246 PolarHBondContact O-N 2.93Å
167	G	90.6	Very high	86.8	Confident	6 Å²	6	37 Å²	37	6%	0.062	23%	0.233	C	C	.	.			trans	-96.9	-154.3	172.7	0	0	0	0	0	112.6	R176 A214	G167-R176 CarbonylContact C-O 3.58Å; G167-R176 WeakPolarHBondContact CA-O 3.24Å; G167-A214 PolarHBondContact N-O 3.47Å; G167-A214 VanDerWaalsContact N-O 3.17Å
168	L	89.2	Confident	86.9	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.9	171.9	179.8	62.2	0	0	0	110	D133 A135 A170 R176 A214 C244	D133-L168 WeakPolarHBondContact O-CD1 3.15Å; A135-L168 HydrophobicContact CB-CB 3.83Å; A135-L168 HydrophobicContact CB-CD2 4.31Å; A135-L168 HydrophobicContact CB-CG 4.48Å; L168-A170 PolarHBondContact O-N 3.4Å; L168-R176 PolarHBondContact N-O 2.91Å; L168-R176 PolarHBondContact O-N 2.73Å; L168-A214 VanDerWaalsContact C-CB 3.41Å; L168-A214 WeakPolarHBondContact O-CB 3.16Å; L168-C244 HydrophobicContact CB-CB 3.82Å
169	L	85.5	Confident	86.9	Confident	87 Å²	87	37 Å²	37	46%	0.455	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	111.7	166.8	-176.3	63.9	0	0	0	107.7	L215	L169-L215 HydrophobicContact CB-CD2 4.28Å
170	A	74.1	Confident	86.8	Confident	14 Å²	14	40.3 Å²	40.3	12%	0.116	25%	0.247	C	C	.	.			trans	-70.8	146.9	-177.3	0	0	0	0	0	111.6	L168 G172 G173 G174 R176	L168-A170 PolarHBondContact O-N 3.4Å; A170-G172 PolarHBondContact O-N 3.48Å; A170-G172 VanDerWaalsContact O-N 3.11Å; A170-G173 PolarHBondContact O-N 2.93Å; A170-G174 VanDerWaalsContact CB-O 3.26Å; A170-G174 WeakPolarHBondContact CB-O 3.17Å; A170-G174 PolarHBondContact N-O 3.49Å; A170-R176 HydrophobicContact CB-CG 4.37Å
171	E	69.5	Low	86.8	Confident	150 Å²	150	40.3 Å²	40.3	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	116	169.1	-64.8	136	-99.7	0	0	109.6	R121	R121-E171 IonicContact CZ-OE1 2.72Å; R121-E171 VanDerWaalsContact CZ-OE1 3.24Å; R121-E171 IonicContact NH1-OE1 2.74Å; R121-E171 PolarHBondContact NH1-OE1 2.9Å; R121-E171 IonicContact NH2-OE1 2.69Å; R121-E171 PolarHBondContact NH2-OE1 2.72Å; R121-E171 IonicContact NH2-OE2 2.81Å
172	G	66.7	Low	86.8	Confident	88 Å²	88	39.7 Å²	39.7	91%	0.907	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.4	1.2	-168.6	0	0	0	0	0	115.6	A170	A170-G172 PolarHBondContact O-N 3.48Å; A170-G172 VanDerWaalsContact O-N 3.11Å
173	G	68	Low	86.9	Confident	56 Å²	56	37.4 Å²	37.4	58%	0.577	23%	0.232	S	C	*	.	S	Bend	trans	91.9	5.8	168.2	0	0	0	0	0	116.4	A170	A170-G173 PolarHBondContact O-N 2.93Å
174	G	77.2	Confident	87	Confident	39 Å²	39	39 Å²	39	40%	0.402	24%	0.237	S	C	.	.			trans	-81	119.5	178.4	0	0	0	0	0	113	A170 R176	A170-G174 VanDerWaalsContact CB-O 3.26Å; A170-G174 WeakPolarHBondContact CB-O 3.17Å; A170-G174 PolarHBondContact N-O 3.49Å; G174-R176 PolarHBondContact O-N 3.42Å
175	S	85	Confident	87.2	Confident	47 Å²	47	38.8 Å²	38.8	33%	0.329	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.7	175.4	-170.6	0	0	0	0	111.2	D213 A214	S175-D213 PolarHBondContact OG-OD1 3.35Å; S175-A214 VanDerWaalsContact OG-CB 3.23Å; S175-A214 WeakPolarHBondContact OG-CB 3.21Å; S175-A214 PolarHBondContact OG-N 2.95Å; S175-A214 VanDerWaalsContact OG-N 3.08Å
176	R	91.1	Very high	87.3	Confident	77 Å²	77	40.1 Å²	40.1	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	107	177.9	-64.9	-175.8	-176.9	-178	4.3	110.6	G167 L168 A170 G174 C244	G167-R176 CarbonylContact C-O 3.58Å; G167-R176 WeakPolarHBondContact CA-O 3.24Å; L168-R176 PolarHBondContact N-O 2.91Å; L168-R176 PolarHBondContact O-N 2.73Å; A170-R176 HydrophobicContact CB-CG 4.37Å; G174-R176 PolarHBondContact O-N 3.42Å; R176-C244 HydrophobicContact CB-CB 4.21Å; R176-C244 VanDerWaalsContact CD-SG 3.6Å
177	Y	92.4	Very high	87.5	Confident	70 Å²	70	39.5 Å²	39.5	28%	0.275	24%	0.235	S	C	.	.			trans	-135.1	164.7	-176.6	60	-94.1	0	0	0	112.8	P179 G211 D213 R237	Y177-P179 HydrophobicContact CE2-CB 4.29Å; Y177-G211 WeakPolarHBondContact CD2-O 3.43Å; Y177-D213 WeakPolarHBondContact CB-O 3.47Å; Y177-R237 PolarHBondContact O-NH2 2.86Å
178	T	94.4	Very high	87.6	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	24%	0.242	C	C	.	.			trans	-107.3	104.7	179.4	-63.8	0	0	0	0	109.8	Y180 F181 G210 G211 P235 V243 C244 I245	T178-Y180 WeakPolarHBondContact CG2-O 3.4Å; T178-F181 HydrophobicContact CG2-CB 4.13Å; T178-G210 CarbonylContact O-C 3.42Å; T178-G210 WeakPolarHBondContact O-CA 3.47Å; T178-G211 PolarHBondContact O-N 3.42Å; T178-P235 HydrophobicContact CG2-CB 3.74Å; T178-V243 WeakPolarHBondContact OG1-CB 3.29Å; T178-C244 PolarHBondContact OG1-O 3.05Å; T178-C244 VanDerWaalsContact OG1-O 3.08Å; T178-I245 HydrophobicContact CG2-CD1 4.1Å; T178-I245 HydrophobicContact CG2-CG1 4.3Å; T178-I245 WeakPolarHBondContact OG1-CG1 3.45Å
179	P	93.1	Very high	87.7	Confident	14 Å²	14	47.2 Å²	47.2	9%	0.091	27%	0.272	C	S	.	.	S	Bend	trans	-74.8	-30.8	-176.6	28.7	-33	0	0	0	113.2	Y177 G210 G211 R237	Y177-P179 HydrophobicContact CE2-CB 4.29Å; P179-G210 WeakPolarHBondContact O-CA 3.34Å; P179-G210 PolarHBondContact O-N 2.89Å; P179-G211 WeakPolarHBondContact CA-O 3.36Å; P179-R237 HydrophobicContact CG-CB 4.34Å; P179-R237 HydrophobicContact CG-CG 3.88Å
180	Y	93.9	Very high	87.8	Confident	74 Å²	74	50 Å²	50	29%	0.29	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.1	175.8	-59.1	-72.1	0	0	0	110.4	T178 R207 L208 L209 Y236 D238	T178-Y180 WeakPolarHBondContact CG2-O 3.4Å; Y180-R207 HydrophobicContact CD1-CG 4Å; Y180-R207 HydrophobicContact CG-CG 4.06Å; Y180-L208 CarbonylContact C-O 3.46Å; Y180-L208 VanDerWaalsContact CA-O 3.29Å; Y180-L208 WeakPolarHBondContact CA-O 3.44Å; Y180-L209 HydrophobicContact CD1-CD1 4.17Å; Y180-L209 HydrophobicContact CE1-CD1 3.75Å; Y180-Y236 HydrophobicContact CD2-CD1 4.32Å; Y180-Y236 PolarHBondContact N-O 3.26Å; Y180-Y236 PolarHBondContact O-N 3.19Å; Y180-Y236 VanDerWaalsContact O-O 3.06Å; Y180-D238 WeakPolarHBondContact CD2-OD2 3.39Å; Y180-D238 WeakPolarHBondContact CE2-OD2 3.28Å
181	F	94.8	Very high	88.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	161.9	176	66.4	-76.1	0	0	0	111.9	V163 I165 T178 I183 L208 V220 I233 Y234	V163-F181 HydrophobicContact CG2-CE2 4.25Å; V163-F181 HydrophobicContact CG2-CZ 4.07Å; I165-F181 HydrophobicContact CD1-CD1 3.8Å; I165-F181 HydrophobicContact CD1-CD2 3.77Å; I165-F181 HydrophobicContact CD1-CE1 3.73Å; I165-F181 HydrophobicContact CD1-CE2 3.65Å; I165-F181 HydrophobicContact CD1-CG 3.83Å; I165-F181 HydrophobicContact CD1-CZ 3.64Å; T178-F181 HydrophobicContact CG2-CB 4.13Å; F181-I183 HydrophobicContact CD2-CG1 4.09Å; F181-I183 HydrophobicContact CE2-CD1 4.07Å; F181-I183 HydrophobicContact CE2-CG1 3.78Å; F181-L208 HydrophobicContact CD1-CB 4.05Å; F181-L208 HydrophobicContact CD2-CB 4.29Å; F181-L208 HydrophobicContact CD2-CD1 4.39Å; F181-L208 HydrophobicContact CE1-CB 3.63Å; F181-L208 HydrophobicContact CE2-CB 3.92Å; F181-L208 HydrophobicContact CE2-CD1 3.63Å; F181-L208 HydrophobicContact CE2-CG 4.4Å; F181-L208 HydrophobicContact CG-CB 4.37Å; F181-L208 HydrophobicContact CZ-CB 3.57Å; F181-L208 HydrophobicContact CZ-CD1 3.8Å; F181-L208 HydrophobicContact CZ-CG 4.35Å; F181-L208 PolarHBondContact N-O 3.02Å; F181-L208 PolarHBondContact O-N 2.86Å; F181-V220 HydrophobicContact CE1-CG2 4.1Å; F181-V220 HydrophobicContact CZ-CB 4.4Å; F181-V220 HydrophobicContact CZ-CG1 4.41Å; F181-V220 HydrophobicContact CZ-CG2 4Å; F181-I233 HydrophobicContact CB-CG2 4.14Å; F181-I233 HydrophobicContact CD2-CG2 3.9Å; F181-I233 HydrophobicContact CG-CG2 4.31Å; F181-Y234 CarbonylContact C-O 3.5Å; F181-Y234 WeakPolarHBondContact CA-O 3.24Å; F181-Y234 WeakPolarHBondContact CB-O 3.35Å
182	Y	94.3	Very high	89.1	Confident	13 Å²	13	51.7 Å²	51.7	5%	0.051	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.3	167.9	-58.7	-99.9	0	0	0	109.2	S206 R207 Y234 Y236 C720	Y182-S206 WeakPolarHBondContact CD1-O 3.36Å; Y182-R207 HydrophobicContact CE1-CB 3.77Å; Y182-R207 HydrophobicContact CE2-CB 4.36Å; Y182-R207 HydrophobicContact CE2-CG 4.24Å; Y182-Y234 PolarHBondContact N-O 3.35Å; Y182-Y234 PolarHBondContact O-N 2.72Å; Y182-Y236 AromaticContact CE2-CD2 3.63Å; Y182-Y236 HydrophobicContact CE2-CD2 3.63Å; Y182-Y236 HydrophobicContact CE2-CE2 4.31Å; Y182-Y236 AromaticContact CE2-CG 3.86Å; Y182-Y236 HydrophobicContact CE2-CG 3.86Å; Y182-C720 HydrophobicContact CD1-CB 4.33Å; Y182-C720 HydrophobicContact CD2-CB 4.19Å; Y182-C720 HydrophobicContact CE1-CB 4.23Å; Y182-C720 HydrophobicContact CE2-CB 4.12Å; Y182-C720 VanDerWaalsContact CE2-SG 3.52Å; Y182-C720 HydrophobicContact CG-CB 4.31Å
183	I	95.6	Very high	90.1	Very high	3 Å²	3	51 Å²	51	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	167.8	-55.1	172.5	0	0	0	107.5	V163 F181 Y197 L208 L222 L226 R232 I233	V163-I183 HydrophobicContact CG1-CD1 4.46Å; V163-I183 HydrophobicContact CG2-CD1 4.37Å; F181-I183 HydrophobicContact CD2-CG1 4.09Å; F181-I183 HydrophobicContact CE2-CD1 4.07Å; F181-I183 HydrophobicContact CE2-CG1 3.78Å; I183-Y197 WeakPolarHBondContact O-CB 3.43Å; I183-Y197 PolarHBondContact O-N 3.29Å; I183-L208 HydrophobicContact CD1-CD1 3.66Å; I183-L208 HydrophobicContact CG1-CD1 3.92Å; I183-L222 HydrophobicContact CD1-CD1 4.38Å; I183-L222 HydrophobicContact CD1-CD2 4Å; I183-L226 HydrophobicContact CG2-CD2 3.81Å; I183-R232 WeakPolarHBondContact CA-O 3.23Å; I183-I233 HydrophobicContact CG1-CD1 3.87Å; I183-I233 HydrophobicContact CG2-CD1 4.45Å
184	R	95.5	Very high	91.2	Very high	33 Å²	33	50.5 Å²	50.5	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	154.6	158.9	-68.1	-174.8	174.1	163.1	-14.7	110.2	W194 R195 I231 R232 Y234 C720	R184-W194 HydrophobicContact CB-CB 4.18Å; R184-W194 HydrophobicContact CB-CE3 4.37Å; R184-R195 CarbonylContact C-O 3.57Å; R184-R195 WeakPolarHBondContact CA-O 3.49Å; R184-R195 WeakPolarHBondContact CB-O 3.44Å; R184-I231 CarbonylContact O-C 3.5Å; R184-I231 WeakPolarHBondContact O-CA 3.33Å; R184-R232 HydrophobicContact CB-CB 4.37Å; R184-R232 PolarHBondContact N-O 3.47Å; R184-R232 PolarHBondContact O-N 3.31Å; R184-Y234 HydrophobicContact CB-CD2 4.41Å; R184-Y234 HydrophobicContact CB-CE2 3.93Å; R184-Y234 HydrophobicContact CG-CD2 4.2Å; R184-Y234 HydrophobicContact CG-CE2 3.86Å; R184-Y234 PolarHBondContact NH1-OH 3.47Å; R184-C720 PolarHBondContact NE-O 3.34Å; R184-C720 PolarHBondContact NH2-O 2.8Å
185	Y	96.5	Very high	91.9	Very high	10 Å²	10	50.7 Å²	50.7	4%	0.039	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.6	-175.6	64.7	-82.6	0	0	0	113.9	W194 R195 L226 A228 W230 D310	Y185-W194 VanDerWaalsContact C-CE3 3.45Å; Y185-R195 HydrophobicContact CD1-CB 4.03Å; Y185-R195 VanDerWaalsContact CD1-O 3.25Å; Y185-R195 WeakPolarHBondContact CD1-O 3.46Å; Y185-R195 HydrophobicContact CD2-CB 4.25Å; Y185-R195 HydrophobicContact CE1-CB 3.57Å; Y185-R195 HydrophobicContact CE2-CB 3.84Å; Y185-R195 HydrophobicContact CE2-CG 4.32Å; Y185-R195 HydrophobicContact CG-CB 4.34Å; Y185-R195 VanDerWaalsContact CZ-CB 3.48Å; Y185-R195 PolarHBondContact N-O 2.96Å; Y185-R195 PolarHBondContact O-N 3.03Å; Y185-L226 HydrophobicContact CD1-CD1 3.53Å; Y185-L226 HydrophobicContact CD1-CD2 4.28Å; Y185-L226 HydrophobicContact CD2-CD1 3.6Å; Y185-L226 HydrophobicContact CE1-CD1 3.58Å; Y185-L226 HydrophobicContact CE2-CD1 3.62Å; Y185-L226 HydrophobicContact CG-CD1 3.54Å; Y185-L226 HydrophobicContact CG-CD2 4.41Å; Y185-A228 HydrophobicContact CD2-CB 4.1Å; Y185-A228 HydrophobicContact CG-CB 4.27Å; Y185-W230 VanDerWaalsContact CA-O 3.23Å; Y185-W230 WeakPolarHBondContact CA-O 3.24Å; Y185-W230 WeakPolarHBondContact CB-O 3.4Å; Y185-D310 VanDerWaalsContact OH-CB 3.31Å; Y185-D310 WeakPolarHBondContact OH-CB 3.27Å; Y185-D310 VanDerWaalsContact OH-CG 3.29Å; Y185-D310 PolarHBondContact OH-OD2 3.04Å
186	K	95.5	Very high	92.2	Very high	27 Å²	27	49.6 Å²	49.6	12%	0.117	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152	169.4	-76.7	-177.9	175	-177.1	0	111.4	E191 E192 N193 W194 R229 W230	K186-E191 WeakPolarHBondContact CA-OE2 3.34Å; K186-E191 WeakPolarHBondContact CB-OE2 3.3Å; K186-E191 HydrophobicContact CD-CB 4.3Å; K186-E191 WeakPolarHBondContact CE-O 3.49Å; K186-E191 HydrophobicContact CG-CB 4.41Å; K186-E191 HydrophobicContact CG-CG 4.45Å; K186-E191 PolarHBondContact NZ-O 3.46Å; K186-E192 WeakPolarHBondContact CE-O 3.33Å; K186-E192 PolarHBondContact NZ-O 3.33Å; K186-N193 WeakPolarHBondContact CE-O 3.26Å; K186-W194 HydrophobicContact CB-CE3 4.42Å; K186-W194 HydrophobicContact CB-CZ3 4.34Å; K186-W194 HydrophobicContact CD-CD2 3.9Å; K186-W194 HydrophobicContact CD-CE3 4.28Å; K186-W194 HydrophobicContact CD-CG 4.32Å; K186-W194 HydrophobicContact CD-CH2 4.36Å; K186-W194 HydrophobicContact CD-CZ2 3.98Å; K186-W194 VanDerWaalsContact CE-CD1 3.45Å; K186-W194 HydrophobicContact CG-CD2 3.82Å; K186-W194 HydrophobicContact CG-CE3 3.81Å; K186-W194 HydrophobicContact CG-CG 4.27Å; K186-W194 HydrophobicContact CG-CH2 4.48Å; K186-W194 HydrophobicContact CG-CZ2 4.49Å; K186-W194 HydrophobicContact CG-CZ3 4.15Å; K186-R229 PolarHBondContact O-N 2.83Å; K186-W230 HydrophobicContact CB-CB 4.4Å; K186-W230 HydrophobicContact CB-CE3 4.02Å; K186-W230 PolarHBondContact N-O 2.8Å; K186-W230 PolarHBondContact O-N 2.78Å
187	R	95	Very high	92.3	Very high	10 Å²	10	46.2 Å²	46.2	4%	0.038	22%	0.217	C	C	.	.	S	Bend	trans	-102.2	-32.5	173.3	-70.1	-164.8	-84.1	-87.9	1.5	113.1	L157 E191 I227 V259 D310	L157-R187 HydrophobicContact CD1-CB 4.03Å; L157-R187 HydrophobicContact CD1-CG 3.88Å; R187-E191 PolarHBondContact N-OE2 3.34Å; R187-I227 WeakPolarHBondContact CG-O 3.31Å; R187-I227 PolarHBondContact NH1-O 2.99Å; R187-V259 HydrophobicContact CB-CG1 4.23Å; R187-V259 PolarHBondContact NE-O 2.93Å; R187-V259 PolarHBondContact NH2-O 3.1Å; R187-D310 IonicContact CZ-OD1 3.3Å; R187-D310 IonicContact CZ-OD2 3.6Å; R187-D310 IonicContact NH1-OD1 3.62Å; R187-D310 IonicContact NH1-OD2 3.51Å; R187-D310 PolarHBondContact NH1-OD2 3.01Å; R187-D310 IonicContact NH2-OD1 2.74Å; R187-D310 PolarHBondContact NH2-OD1 3.25Å; R187-D310 IonicContact NH2-OD2 2.73Å; R187-D310 PolarHBondContact NH2-OD2 3.38Å
188	E	93.3	Very high	92.1	Very high	45 Å²	45	46.9 Å²	46.9	21%	0.21	22%	0.219	C	C	.	.	S	Bend	trans	-129.3	149.1	-176.7	-68.7	179.1	114.7	0	0	112.5	N190 E191 W230 V259 R383	E188-N190 VanDerWaalsContact C-N 3.26Å; E188-N190 PolarHBondContact O-N 2.89Å; E188-E191 HydrophobicContact CB-CB 4.48Å; E188-E191 WeakPolarHBondContact O-CB 3.22Å; E188-E191 PolarHBondContact O-N 2.73Å; E188-E191 VanDerWaalsContact O-N 3.17Å; E188-W230 VanDerWaalsContact C-CZ3 3.48Å; E188-V259 HydrophobicContact CG-CB 4.37Å; E188-V259 HydrophobicContact CG-CG1 3.9Å; E188-R383 VanDerWaalsContact CD-NH1 3.26Å; E188-R383 IonicContact OE1-CZ 3.44Å; E188-R383 IonicContact OE1-NH1 3.8Å; E188-R383 PolarHBondContact OE1-NH1 2.71Å; E188-R383 IonicContact OE2-CZ 2.71Å; E188-R383 VanDerWaalsContact OE2-CZ 3.25Å; E188-R383 IonicContact OE2-NH1 2.62Å; E188-R383 PolarHBondContact OE2-NH1 3.44Å; E188-R383 IonicContact OE2-NH2 2.67Å; E188-R383 PolarHBondContact OE2-NH2 2.76Å
189	I	89.9	Confident	91.5	Very high	133 Å²	133	48.3 Å²	48.3	68%	0.682	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.9	-178.2	-169.3	167.5	0	0	0	113	E191 W230	I189-E191 VanDerWaalsContact C-N 3.32Å; I189-W230 HydrophobicContact CB-CH2 3.71Å; I189-W230 HydrophobicContact CB-CZ2 4.1Å; I189-W230 HydrophobicContact CG1-CH2 4.47Å; I189-W230 HydrophobicContact CG1-CZ2 4.38Å
190	N	87.1	Confident	90.7	Very high	146 Å²	146	49 Å²	49	78%	0.781	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.5	178	-63.3	-9.1	0	0	0	113	E188 E192	E188-N190 VanDerWaalsContact C-N 3.26Å; E188-N190 PolarHBondContact O-N 2.89Å; N190-E192 PolarHBondContact O-N 2.73Å
191	E	87.9	Confident	89.5	Confident	30 Å²	30	53.2 Å²	53.2	14%	0.14	24%	0.244	C	C	.	.			trans	-72	114	177.9	-166.8	170.1	-154.4	0	0	108.3	K186 R187 E188 I189 R195	K186-E191 WeakPolarHBondContact CA-OE2 3.34Å; K186-E191 WeakPolarHBondContact CB-OE2 3.3Å; K186-E191 HydrophobicContact CD-CB 4.3Å; K186-E191 WeakPolarHBondContact CE-O 3.49Å; K186-E191 HydrophobicContact CG-CB 4.41Å; K186-E191 HydrophobicContact CG-CG 4.45Å; K186-E191 PolarHBondContact NZ-O 3.46Å; R187-E191 PolarHBondContact N-OE2 3.34Å; E188-E191 HydrophobicContact CB-CB 4.48Å; E188-E191 WeakPolarHBondContact O-CB 3.22Å; E188-E191 PolarHBondContact O-N 2.73Å; E188-E191 VanDerWaalsContact O-N 3.17Å; I189-E191 VanDerWaalsContact C-N 3.32Å; E191-R195 IonicContact OE1-CZ 3.99Å; E191-R195 IonicContact OE1-NE 3.48Å; E191-R195 PolarHBondContact OE1-NE 3.41Å; E191-R195 IonicContact OE1-NH2 3.5Å; E191-R195 PolarHBondContact OE1-NH2 2.74Å
192	E	84	Confident	87.6	Confident	170 Å²	170	57.4 Å²	57.4	79%	0.794	27%	0.27	S	S	*	.			trans	-67.3	-55.9	-175.9	-66.3	-178.1	166.1	0	0	111.5	K186 N190	K186-E192 WeakPolarHBondContact CE-O 3.33Å; K186-E192 PolarHBondContact NZ-O 3.33Å; N190-E192 PolarHBondContact O-N 2.73Å
193	N	86.6	Confident	85.8	Confident	73 Å²	73	61 Å²	61	39%	0.39	29%	0.294	S	S	.	.	S	Bend	trans	-83	147.4	-175.5	-61.9	-69.2	0	0	0	111.7	K186	K186-N193 WeakPolarHBondContact CE-O 3.26Å
194	W	91.9	Very high	83.9	Confident	45 Å²	45	65.6 Å²	65.6	17%	0.17	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-88.5	139.2	168.5	-71.4	82.7	0	0	0	109.7	E151 R184 Y185 K186 W230 R232	E151-W194 HydrophobicContact CG-CH2 4.15Å; E151-W194 WeakPolarHBondContact OE2-CH2 3.33Å; E151-W194 VanDerWaalsContact OE2-CZ2 3.25Å; E151-W194 WeakPolarHBondContact OE2-CZ2 3.11Å; R184-W194 HydrophobicContact CB-CB 4.18Å; R184-W194 HydrophobicContact CB-CE3 4.37Å; Y185-W194 VanDerWaalsContact C-CE3 3.45Å; K186-W194 HydrophobicContact CB-CE3 4.42Å; K186-W194 HydrophobicContact CB-CZ3 4.34Å; K186-W194 HydrophobicContact CD-CD2 3.9Å; K186-W194 HydrophobicContact CD-CE3 4.28Å; K186-W194 HydrophobicContact CD-CG 4.32Å; K186-W194 HydrophobicContact CD-CH2 4.36Å; K186-W194 HydrophobicContact CD-CZ2 3.98Å; K186-W194 VanDerWaalsContact CE-CD1 3.45Å; K186-W194 HydrophobicContact CG-CD2 3.82Å; K186-W194 HydrophobicContact CG-CE3 3.81Å; K186-W194 HydrophobicContact CG-CG 4.27Å; K186-W194 HydrophobicContact CG-CH2 4.48Å; K186-W194 HydrophobicContact CG-CZ2 4.49Å; K186-W194 HydrophobicContact CG-CZ3 4.15Å; W194-W230 HydrophobicContact CH2-CB 3.64Å; W194-W230 HydrophobicContact CH2-CG 4.39Å; W194-W230 HydrophobicContact CZ3-CB 3.84Å; W194-R232 VanDerWaalsContact CE2-CZ 3.41Å; W194-R232 VanDerWaalsContact CE2-NE 3.26Å; W194-R232 HydrophobicContact CE3-CG 4.07Å; W194-R232 HydrophobicContact CH2-CG 3.81Å; W194-R232 HydrophobicContact CZ2-CG 4.3Å; W194-R232 VanDerWaalsContact CZ2-CZ 3.48Å; W194-R232 HydrophobicContact CZ3-CB 4.43Å; W194-R232 HydrophobicContact CZ3-CG 3.68Å
195	R	91.5	Very high	82.4	Confident	44 Å²	44	67 Å²	67	17%	0.166	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.9	173.7	-61.7	178.2	-164.5	-108.8	-5.4	109.8	R184 Y185 E191 D310 G322	R184-R195 CarbonylContact C-O 3.57Å; R184-R195 WeakPolarHBondContact CA-O 3.49Å; R184-R195 WeakPolarHBondContact CB-O 3.44Å; Y185-R195 HydrophobicContact CD1-CB 4.03Å; Y185-R195 VanDerWaalsContact CD1-O 3.25Å; Y185-R195 WeakPolarHBondContact CD1-O 3.46Å; Y185-R195 HydrophobicContact CD2-CB 4.25Å; Y185-R195 HydrophobicContact CE1-CB 3.57Å; Y185-R195 HydrophobicContact CE2-CB 3.84Å; Y185-R195 HydrophobicContact CE2-CG 4.32Å; Y185-R195 HydrophobicContact CG-CB 4.34Å; Y185-R195 VanDerWaalsContact CZ-CB 3.48Å; Y185-R195 PolarHBondContact N-O 2.96Å; Y185-R195 PolarHBondContact O-N 3.03Å; E191-R195 IonicContact OE1-CZ 3.99Å; E191-R195 IonicContact OE1-NE 3.48Å; E191-R195 PolarHBondContact OE1-NE 3.41Å; E191-R195 IonicContact OE1-NH2 3.5Å; E191-R195 PolarHBondContact OE1-NH2 2.74Å; R195-D310 IonicContact CZ-OD1 2.78Å; R195-D310 PolarHBondContact NH1-O 2.87Å; R195-D310 IonicContact NH1-OD1 3.44Å; R195-D310 PolarHBondContact NH1-OD1 3.14Å; R195-G322 VanDerWaalsContact CZ-O 3.24Å; R195-G322 PolarHBondContact NH1-O 3.19Å; R195-G322 PolarHBondContact NH2-O 2.96Å
196	T	91.9	Very high	81.5	Confident	24 Å²	24	67.3 Å²	67.3	15%	0.147	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130	170.4	-57.3	0	0	0	0	109.6	D721	T196-D721 WeakPolarHBondContact CB-OD1 3.1Å; T196-D721 WeakPolarHBondContact CG2-OD1 3.46Å; T196-D721 PolarHBondContact OG1-OD1 2.91Å
197	Y	92.9	Very high	81.2	Confident	6 Å²	6	68.7 Å²	68.7	2%	0.024	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70.7	140.8	174.4	179.2	-97.2	0	0	0	111.1	I183 Q199 L208 L222 D223 P224 L226	I183-Y197 WeakPolarHBondContact O-CB 3.43Å; I183-Y197 PolarHBondContact O-N 3.29Å; Y197-Q199 PolarHBondContact OH-OE1 3.36Å; Y197-L208 HydrophobicContact CD1-CD1 4.13Å; Y197-L208 HydrophobicContact CE1-CD1 4.39Å; Y197-L208 HydrophobicContact CE1-CD2 4.4Å; Y197-L222 HydrophobicContact CD1-CD2 4.47Å; Y197-L222 HydrophobicContact CE1-CD2 3.85Å; Y197-L222 HydrophobicContact CE2-CB 4.39Å; Y197-L222 VanDerWaalsContact OH-CA 3.3Å; Y197-L222 WeakPolarHBondContact OH-CA 3.34Å; Y197-L222 WeakPolarHBondContact OH-CB 3.4Å; Y197-D223 PolarHBondContact OH-N 3.18Å; Y197-P224 HydrophobicContact CE2-CG 4.3Å; Y197-P224 WeakPolarHBondContact CE2-O 3.41Å; Y197-P224 PolarHBondContact OH-O 2.85Å; Y197-L226 HydrophobicContact CD2-CB 4.09Å; Y197-L226 HydrophobicContact CD2-CD1 4.16Å; Y197-L226 HydrophobicContact CD2-CD2 4.23Å; Y197-L226 HydrophobicContact CD2-CG 4.39Å; Y197-L226 HydrophobicContact CE2-CB 4.08Å
198	R	88.3	Confident	81	Confident	83 Å²	83	68.8 Å²	68.8	31%	0.313	34%	0.336	S	S	.	.			trans	-134.6	130.5	177.6	-62	-173.3	176.1	167.3	-2.8	109.9	Q297 D721	R198-Q297 VanDerWaalsContact NH1-CB 3.33Å; R198-D721 IonicContact CZ-OD2 3.71Å; R198-D721 IonicContact NE-OD2 2.71Å; R198-D721 IonicContact NH2-OD2 3.65Å; R198-D721 PolarHBondContact NH2-OD2 3.2Å
199	Q	82.5	Confident	80.8	Confident	31 Å²	31	70.3 Å²	70.3	15%	0.145	35%	0.345	C	S	.	.			trans	-77.2	140.1	178.7	-162.3	87.3	11.7	0	0	110.1	Y197 R201 V221 D223	Y197-Q199 PolarHBondContact OH-OE1 3.36Å; Q199-R201 VanDerWaalsContact C-N 3.27Å; Q199-R201 WeakPolarHBondContact CG-O 3.16Å; Q199-R201 PolarHBondContact O-N 3.36Å; Q199-V221 PolarHBondContact NE2-O 2.79Å; Q199-D223 CarbonylContact C-O 3.56Å
200	L	75.8	Confident	80.9	Confident	29 Å²	29	64 Å²	64	15%	0.152	31%	0.313	C	S	.	.	S	Bend	trans	-64.6	-28.7	173.4	-88.2	169.4	0	0	0	113	T203 D223 P224 C308	L200-T203 WeakPolarHBondContact O-CG2 3.49Å; L200-D223 PolarHBondContact N-O 2.93Å; L200-P224 HydrophobicContact CD1-CB 4.45Å; L200-C308 HydrophobicContact CD1-CB 4.02Å; L200-C308 HydrophobicContact CD2-CB 4.06Å; L200-C308 HydrophobicContact CG-CB 4.09Å
201	R	67.9	Low	80.9	Confident	163 Å²	163	57.2 Å²	57.2	62%	0.615	28%	0.278	S	S	*	.	S	Bend	trans	-147	118.7	179.4	-57.7	-175.9	-145.5	77.2	10.7	110.6	Q199 D223	Q199-R201 VanDerWaalsContact C-N 3.27Å; Q199-R201 WeakPolarHBondContact CG-O 3.16Å; Q199-R201 PolarHBondContact O-N 3.36Å; R201-D223 IonicContact CZ-OD2 3.53Å; R201-D223 IonicContact NH1-OD2 3.67Å; R201-D223 PolarHBondContact NH1-OD2 3.43Å
202	P	55.5	Low	80.8	Confident	87 Å²	87	62 Å²	62	57%	0.565	30%	0.303	S	S	*	.	S	Bend	cis	-69.9	135.3	-5.4	30.4	-34.6	0	0	0	112	I204	P202-I204 PolarHBondContact O-N 2.82Å
203	T	56.6	Low	81	Confident	89 Å²	89	56.3 Å²	56.3	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	-176.7	42.5	0	0	0	0	115.4	L200	L200-T203 WeakPolarHBondContact O-CG2 3.49Å
204	I	55.4	Low	81	Confident	100 Å²	100	53 Å²	53	51%	0.513	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-34.4	-167.2	-60.8	174	0	0	0	111.6	P202 L293	P202-I204 PolarHBondContact O-N 2.82Å; I204-L293 HydrophobicContact CD1-CD2 4.2Å
205	I	65.5	Low	80.5	Confident	62 Å²	62	56.8 Å²	56.8	32%	0.318	28%	0.284	S	S	.	.			trans	-111.1	108.9	-159.2	-59.8	173.2	0	0	0	110.5	R207	I205-R207 HydrophobicContact CG2-CB 3.63Å; I205-R207 PolarHBondContact O-N 3.27Å
206	S	77.5	Confident	80.3	Confident	16 Å²	16	59.2 Å²	59.2	11%	0.112	30%	0.304	C	S	.	.			trans	-69.8	-12.8	172.5	-47.6	0	0	0	0	113.4	Y182 L208	Y182-S206 WeakPolarHBondContact CD1-O 3.36Å; S206-L208 PolarHBondContact O-N 3.26Å
207	R	87.5	Confident	80.2	Confident	57 Å²	57	60.9 Å²	60.9	22%	0.215	32%	0.315	C	S	.	.			trans	-80.5	110.8	-177.1	-175.8	169.3	58.9	157.4	-11	111.1	Y180 Y182 I205 D238	Y180-R207 HydrophobicContact CD1-CG 4Å; Y180-R207 HydrophobicContact CG-CG 4.06Å; Y182-R207 HydrophobicContact CE1-CB 3.77Å; Y182-R207 HydrophobicContact CE2-CB 4.36Å; Y182-R207 HydrophobicContact CE2-CG 4.24Å; I205-R207 HydrophobicContact CG2-CB 3.63Å; I205-R207 PolarHBondContact O-N 3.27Å; R207-D238 IonicContact CZ-OD1 3.93Å; R207-D238 IonicContact NH1-OD1 2.63Å; R207-D238 PolarHBondContact NH1-OD1 2.91Å; R207-D238 IonicContact NH1-OD2 3.71Å
208	L	90.9	Very high	80.2	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.063	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	144	177.9	-61.2	178	0	0	0	111.5	Y180 F181 I183 Y197 S206 V220 L222	Y180-L208 CarbonylContact C-O 3.46Å; Y180-L208 VanDerWaalsContact CA-O 3.29Å; Y180-L208 WeakPolarHBondContact CA-O 3.44Å; F181-L208 HydrophobicContact CD1-CB 4.05Å; F181-L208 HydrophobicContact CD2-CB 4.29Å; F181-L208 HydrophobicContact CD2-CD1 4.39Å; F181-L208 HydrophobicContact CE1-CB 3.63Å; F181-L208 HydrophobicContact CE2-CB 3.92Å; F181-L208 HydrophobicContact CE2-CD1 3.63Å; F181-L208 HydrophobicContact CE2-CG 4.4Å; F181-L208 HydrophobicContact CG-CB 4.37Å; F181-L208 HydrophobicContact CZ-CB 3.57Å; F181-L208 HydrophobicContact CZ-CD1 3.8Å; F181-L208 HydrophobicContact CZ-CG 4.35Å; F181-L208 PolarHBondContact N-O 3.02Å; F181-L208 PolarHBondContact O-N 2.86Å; I183-L208 HydrophobicContact CD1-CD1 3.66Å; I183-L208 HydrophobicContact CG1-CD1 3.92Å; Y197-L208 HydrophobicContact CD1-CD1 4.13Å; Y197-L208 HydrophobicContact CE1-CD1 4.39Å; Y197-L208 HydrophobicContact CE1-CD2 4.4Å; S206-L208 PolarHBondContact O-N 3.26Å; L208-V220 HydrophobicContact CD1-CG1 4.37Å; L208-V220 HydrophobicContact CD2-CG1 4.46Å; L208-L222 HydrophobicContact CD1-CD2 4.3Å
209	L	90.5	Very high	80.4	Confident	76 Å²	76	63.9 Å²	63.9	40%	0.398	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	116.9	178.6	178.6	66.5	0	0	0	110.8	Y180 K218 V220	Y180-L209 HydrophobicContact CD1-CD1 4.17Å; Y180-L209 HydrophobicContact CE1-CD1 3.75Å; L209-K218 WeakPolarHBondContact O-CE 3.49Å; L209-K218 WeakPolarHBondContact O-CG 3.4Å; L209-V220 WeakPolarHBondContact O-CG2 3.47Å
210	G	90.8	Very high	80.9	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.01	33%	0.328	C	S	.	.			trans	-89.8	-152.1	177.5	0	0	0	0	0	114.1	T178 P179 K218	T178-G210 CarbonylContact O-C 3.42Å; T178-G210 WeakPolarHBondContact O-CA 3.47Å; P179-G210 WeakPolarHBondContact O-CA 3.34Å; P179-G210 PolarHBondContact O-N 2.89Å; G210-K218 VanDerWaalsContact O-CD 3.3Å; G210-K218 WeakPolarHBondContact O-CD 3.15Å; G210-K218 VanDerWaalsContact O-CG 3.23Å; G210-K218 WeakPolarHBondContact O-CG 3.36Å
211	G	86.9	Confident	81.6	Confident	3 Å²	3	66.2 Å²	66.2	3%	0.031	35%	0.348	C	S	.	.			trans	-82.2	147.8	-179.7	0	0	0	0	0	112.4	Y177 T178 P179	Y177-G211 WeakPolarHBondContact CD2-O 3.43Å; T178-G211 PolarHBondContact O-N 3.42Å; P179-G211 WeakPolarHBondContact CA-O 3.36Å
212	L	87.6	Confident	82.8	Confident	130 Å²	130	58.7 Å²	58.7	68%	0.681	32%	0.32	S	S	*	.	S	Bend	trans	-102.5	-0.2	173.5	-60	-180	0	0	0	112.9
213	D	86.5	Confident	84.3	Confident	52 Å²	52	56.7 Å²	56.7	28%	0.278	30%	0.304	S	S	.	.	S	Bend	trans	-150	163.9	173	176.5	42	0	0	0	108.7	S175 Y177 L215	S175-D213 PolarHBondContact OG-OD1 3.35Å; Y177-D213 WeakPolarHBondContact CB-O 3.47Å; D213-L215 WeakPolarHBondContact OD2-CB 3.26Å; D213-L215 PolarHBondContact OD2-N 3.01Å
214	A	86.5	Confident	85.9	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.033	28%	0.284	C	S	.	.	S	Bend	trans	-71.1	-39.7	174.4	0	0	0	0	0	113.3	G167 L168 S175	G167-A214 PolarHBondContact N-O 3.47Å; G167-A214 VanDerWaalsContact N-O 3.17Å; L168-A214 VanDerWaalsContact C-CB 3.41Å; L168-A214 WeakPolarHBondContact O-CB 3.16Å; S175-A214 VanDerWaalsContact OG-CB 3.23Å; S175-A214 WeakPolarHBondContact OG-CB 3.21Å; S175-A214 PolarHBondContact OG-N 2.95Å; S175-A214 VanDerWaalsContact OG-N 3.08Å
215	L	82	Confident	87.7	Confident	123 Å²	123	49.9 Å²	49.9	64%	0.644	27%	0.268	S	S	*	.	S	Bend	trans	-83.7	-21.4	-169.9	-57.7	176.3	0	0	0	113.4	L169 D213 P217	L169-L215 HydrophobicContact CB-CD2 4.28Å; D213-L215 WeakPolarHBondContact OD2-CB 3.26Å; D213-L215 PolarHBondContact OD2-N 3.01Å; L215-P217 WeakPolarHBondContact O-CD 3.28Å
216	V	87.5	Confident	89	Confident	95 Å²	95	47.1 Å²	47.1	58%	0.576	25%	0.254	S	S	*	.	S	Bend	trans	-96.5	108.2	-177.2	-176.2	0	0	0	0	110.5	K218	V216-K218 PolarHBondContact O-N 2.81Å
217	P	89.3	Confident	89.9	Confident	59 Å²	59	47 Å²	47	38%	0.383	25%	0.252	S	S	.	.			trans	-69	124.8	178.9	27.4	-34	0	0	0	111.5	V164 L215 F219	V164-P217 HydrophobicContact CG1-CB 3.77Å; L215-P217 WeakPolarHBondContact O-CD 3.28Å; P217-F219 HydrophobicContact CG-CE2 4.41Å
218	K	93.4	Very high	90.2	Very high	69 Å²	69	44.3 Å²	44.3	30%	0.3	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	115.5	173.1	-179.6	73.1	175.2	-175	0	110.2	V164 I165 L209 G210 V216 V220	V164-K218 CarbonylContact C-O 3.53Å; V164-K218 VanDerWaalsContact CA-O 3.27Å; V164-K218 WeakPolarHBondContact CA-O 3.47Å; I165-K218 PolarHBondContact N-O 2.57Å; I165-K218 WeakPolarHBondContact O-CB 3.47Å; I165-K218 PolarHBondContact O-N 2.9Å; L209-K218 WeakPolarHBondContact O-CE 3.49Å; L209-K218 WeakPolarHBondContact O-CG 3.4Å; G210-K218 VanDerWaalsContact O-CD 3.3Å; G210-K218 WeakPolarHBondContact O-CD 3.15Å; G210-K218 VanDerWaalsContact O-CG 3.23Å; G210-K218 WeakPolarHBondContact O-CG 3.36Å; V216-K218 PolarHBondContact O-N 2.81Å; K218-V220 HydrophobicContact CG-CG2 3.79Å
219	F	92.3	Very high	90.4	Very high	83 Å²	83	47 Å²	47	36%	0.364	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.7	165.2	-58.7	-91.8	0	0	0	110.2	K162 V164 P217	K162-F219 HydrophobicContact CD-CD1 4.09Å; V164-F219 HydrophobicContact CB-CD1 4.43Å; V164-F219 HydrophobicContact CG1-CD1 4.21Å; V164-F219 HydrophobicContact CG1-CE1 4.17Å; V164-F219 HydrophobicContact CG2-CD1 3.37Å; V164-F219 HydrophobicContact CG2-CE1 3.68Å; V164-F219 HydrophobicContact CG2-CG 4.23Å; P217-F219 HydrophobicContact CG-CE2 4.41Å
220	V	92.4	Very high	90.7	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.7	175.5	-175.3	0	0	0	0	108.6	K162 V163 F181 L208 L209 K218	K162-V220 CarbonylContact C-O 3.49Å; K162-V220 VanDerWaalsContact CA-O 3.31Å; K162-V220 WeakPolarHBondContact CA-O 3.4Å; K162-V220 WeakPolarHBondContact CG-O 3.25Å; V163-V220 HydrophobicContact CG2-CB 3.92Å; V163-V220 PolarHBondContact N-O 2.91Å; V163-V220 PolarHBondContact O-N 3.07Å; F181-V220 HydrophobicContact CE1-CG2 4.1Å; F181-V220 HydrophobicContact CZ-CB 4.4Å; F181-V220 HydrophobicContact CZ-CG1 4.41Å; F181-V220 HydrophobicContact CZ-CG2 4Å; L208-V220 HydrophobicContact CD1-CG1 4.37Å; L208-V220 HydrophobicContact CD2-CG1 4.46Å; L209-V220 WeakPolarHBondContact O-CG2 3.47Å; K218-V220 HydrophobicContact CG-CG2 3.79Å
221	V	91.3	Very high	90.9	Very high	94 Å²	94	44.7 Å²	44.7	57%	0.57	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.3	177.4	178.4	0	0	0	0	109	K162 Q199	K162-V221 HydrophobicContact CG-CG2 4.42Å; Q199-V221 PolarHBondContact NE2-O 2.79Å
222	L	91.9	Very high	91.4	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.3	178.2	-55.7	-173.5	0	0	0	108.6	I160 T161 V163 I183 Y197 L208 P224 L226	I160-L222 HydrophobicContact CB-CD1 4.15Å; I160-L222 HydrophobicContact CG2-CD1 3.83Å; T161-L222 PolarHBondContact O-N 3.4Å; V163-L222 HydrophobicContact CG1-CD1 4.4Å; I183-L222 HydrophobicContact CD1-CD1 4.38Å; I183-L222 HydrophobicContact CD1-CD2 4Å; Y197-L222 HydrophobicContact CD1-CD2 4.47Å; Y197-L222 HydrophobicContact CE1-CD2 3.85Å; Y197-L222 HydrophobicContact CE2-CB 4.39Å; Y197-L222 VanDerWaalsContact OH-CA 3.3Å; Y197-L222 WeakPolarHBondContact OH-CA 3.34Å; Y197-L222 WeakPolarHBondContact OH-CB 3.4Å; L208-L222 HydrophobicContact CD1-CD2 4.3Å; L222-P224 VanDerWaalsContact C-C 3.46Å; L222-P224 CarbonylContact C-O 3.52Å; L222-P224 WeakPolarHBondContact CB-O 3.39Å; L222-P224 CarbonylContact O-C 3.57Å; L222-P224 VanDerWaalsContact O-C 3.3Å; L222-L226 HydrophobicContact CD1-CB 3.72Å; L222-L226 HydrophobicContact CD1-CD2 4.28Å
223	D	88.2	Confident	91.8	Very high	45 Å²	45	40 Å²	40	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	96.7	174.1	179.2	22.5	0	0	0	106.6	Y197 Q199 L200 R201	Y197-D223 PolarHBondContact OH-N 3.18Å; Q199-D223 CarbonylContact C-O 3.56Å; L200-D223 PolarHBondContact N-O 2.93Å; R201-D223 IonicContact CZ-OD2 3.53Å; R201-D223 IonicContact NH1-OD2 3.67Å; R201-D223 PolarHBondContact NH1-OD2 3.43Å
224	P	90.1	Very high	92.3	Very high	17 Å²	17	38 Å²	38	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-77.8	161.9	12	37.9	-39.1	0	0	0	112.5	Y197 L200 L222 C308	Y197-P224 HydrophobicContact CE2-CG 4.3Å; Y197-P224 WeakPolarHBondContact CE2-O 3.41Å; Y197-P224 PolarHBondContact OH-O 2.85Å; L200-P224 HydrophobicContact CD1-CB 4.45Å; L222-P224 VanDerWaalsContact C-C 3.46Å; L222-P224 CarbonylContact C-O 3.52Å; L222-P224 WeakPolarHBondContact CB-O 3.39Å; L222-P224 CarbonylContact O-C 3.57Å; L222-P224 VanDerWaalsContact O-C 3.3Å; P224-C308 HydrophobicContact CB-CB 4.05Å; P224-C308 HydrophobicContact CG-CB 3.94Å
225	P	92.5	Very high	92.7	Very high	30 Å²	30	37.9 Å²	37.9	20%	0.195	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	143	165.1	-24.6	36.7	0	0	0	111.8	I159 I160 T161 D329	I159-P225 HydrophobicContact CG2-CB 3.69Å; I160-P225 WeakPolarHBondContact O-CA 3.48Å; T161-P225 HydrophobicContact CG2-CB 4.3Å; P225-D329 WeakPolarHBondContact CG-O 3.35Å
226	L	93.8	Very high	93.3	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.6	-173.8	168.6	56.6	0	0	0	111.6	I160 I183 Y185 Y197 L222 A228 I231	I160-L226 HydrophobicContact CB-CB 4.31Å; I160-L226 HydrophobicContact CD1-CD2 4.27Å; I160-L226 HydrophobicContact CD1-CG 4.43Å; I160-L226 PolarHBondContact N-O 2.89Å; I160-L226 PolarHBondContact O-N 3.41Å; I183-L226 HydrophobicContact CG2-CD2 3.81Å; Y185-L226 HydrophobicContact CD1-CD1 3.53Å; Y185-L226 HydrophobicContact CD1-CD2 4.28Å; Y185-L226 HydrophobicContact CD2-CD1 3.6Å; Y185-L226 HydrophobicContact CE1-CD1 3.58Å; Y185-L226 HydrophobicContact CE2-CD1 3.62Å; Y185-L226 HydrophobicContact CG-CD1 3.54Å; Y185-L226 HydrophobicContact CG-CD2 4.41Å; Y197-L226 HydrophobicContact CD2-CB 4.09Å; Y197-L226 HydrophobicContact CD2-CD1 4.16Å; Y197-L226 HydrophobicContact CD2-CD2 4.23Å; Y197-L226 HydrophobicContact CD2-CG 4.39Å; Y197-L226 HydrophobicContact CE2-CB 4.08Å; L222-L226 HydrophobicContact CD1-CB 3.72Å; L222-L226 HydrophobicContact CD1-CD2 4.28Å; L226-A228 HydrophobicContact CD1-CB 4.16Å; L226-A228 HydrophobicContact CD2-CB 4.49Å; L226-A228 HydrophobicContact CG-CB 4.03Å; L226-I231 HydrophobicContact CD2-CG2 4.37Å
227	I	95.2	Very high	93.5	Very high	13 Å²	13	31 Å²	31	7%	0.067	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	105.6	174.3	-57.2	175.3	0	0	0	109.7	L157 N158 I159 R187 F254 L324 I328	L157-I227 HydrophobicContact CD1-CG2 4.11Å; L157-I227 HydrophobicContact CD2-CG2 4.14Å; L157-I227 HydrophobicContact CG-CG2 4.03Å; N158-I227 WeakPolarHBondContact O-CA 3.26Å; I159-I227 HydrophobicContact CG1-CG1 4.33Å; I159-I227 HydrophobicContact CG2-CG1 4.46Å; R187-I227 WeakPolarHBondContact CG-O 3.31Å; R187-I227 PolarHBondContact NH1-O 2.99Å; I227-F254 HydrophobicContact CD1-CD1 4.38Å; I227-F254 HydrophobicContact CD1-CE1 3.98Å; I227-F254 HydrophobicContact CD1-CZ 4.24Å; I227-F254 HydrophobicContact CG2-CD1 3.47Å; I227-F254 VanDerWaalsContact CG2-CD1 3.47Å; I227-F254 HydrophobicContact CG2-CE1 3.84Å; I227-F254 HydrophobicContact CG2-CG 4.34Å; I227-L324 HydrophobicContact CB-CD1 4.28Å; I227-L324 HydrophobicContact CD1-CD1 3.92Å; I227-L324 HydrophobicContact CG2-CD1 4.08Å; I227-I328 HydrophobicContact CD1-CG2 4.39Å
228	A	95.7	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	154.7	-173.1	0	0	0	0	0	112.9	M154 N158 I160 Y185 L226 I231	M154-A228 WeakPolarHBondContact CE-O 3.31Å; N158-A228 PolarHBondContact N-O 3.36Å; N158-A228 PolarHBondContact O-N 3.07Å; N158-A228 VanDerWaalsContact O-O 3.13Å; I160-A228 HydrophobicContact CD1-CB 4.48Å; Y185-A228 HydrophobicContact CD2-CB 4.1Å; Y185-A228 HydrophobicContact CG-CB 4.27Å; L226-A228 HydrophobicContact CD1-CB 4.16Å; L226-A228 HydrophobicContact CD2-CB 4.49Å; L226-A228 HydrophobicContact CG-CB 4.03Å; A228-I231 HydrophobicContact CB-CG2 3.98Å
229	R	94.4	Very high	93.4	Very high	69 Å²	69	33.4 Å²	33.4	26%	0.26	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-45.1	165	169.3	172.6	161.8	-177.7	-8	110.9	D153 M154 G155 L157 K186	D153-R229 WeakPolarHBondContact OD1-CG 3.31Å; D153-R229 IonicContact OD1-CZ 3.24Å; D153-R229 IonicContact OD1-NE 2.79Å; D153-R229 PolarHBondContact OD1-NE 2.89Å; D153-R229 IonicContact OD1-NH2 2.76Å; D153-R229 PolarHBondContact OD1-NH2 3.39Å; D153-R229 IonicContact OD2-CZ 3.12Å; D153-R229 IonicContact OD2-NE 3.04Å; D153-R229 IonicContact OD2-NH2 2.68Å; D153-R229 PolarHBondContact OD2-NH2 2.91Å; M154-R229 WeakPolarHBondContact CB-O 3.43Å; M154-R229 VanDerWaalsContact CE-O 3.3Å; M154-R229 WeakPolarHBondContact CE-O 3.28Å; M154-R229 PolarHBondContact N-O 3.07Å; G155-R229 PolarHBondContact O-NE 2.76Å; G155-R229 PolarHBondContact O-NH1 3.01Å; G155-R229 VanDerWaalsContact O-NH1 3.15Å; L157-R229 HydrophobicContact CD1-CB 4.27Å; K186-R229 PolarHBondContact O-N 2.83Å
230	W	95.9	Very high	93.4	Very high	26 Å²	26	33.8 Å²	33.8	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	137.3	172.7	-59.7	-96.6	0	0	0	110.1	I152 D153 Y185 K186 E188 I189 W194	I152-W230 WeakPolarHBondContact O-CA 3.21Å; D153-W230 PolarHBondContact OD2-NE1 3.1Å; Y185-W230 VanDerWaalsContact CA-O 3.23Å; Y185-W230 WeakPolarHBondContact CA-O 3.24Å; Y185-W230 WeakPolarHBondContact CB-O 3.4Å; K186-W230 HydrophobicContact CB-CB 4.4Å; K186-W230 HydrophobicContact CB-CE3 4.02Å; K186-W230 PolarHBondContact N-O 2.8Å; K186-W230 PolarHBondContact O-N 2.78Å; E188-W230 VanDerWaalsContact C-CZ3 3.48Å; I189-W230 HydrophobicContact CB-CH2 3.71Å; I189-W230 HydrophobicContact CB-CZ2 4.1Å; I189-W230 HydrophobicContact CG1-CH2 4.47Å; I189-W230 HydrophobicContact CG1-CZ2 4.38Å; W194-W230 HydrophobicContact CH2-CB 3.64Å; W194-W230 HydrophobicContact CH2-CG 4.39Å; W194-W230 HydrophobicContact CZ3-CB 3.84Å
231	I	96.5	Very high	93.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.9	169.9	58.3	174.3	0	0	0	110.7	E151 I152 I160 R184 L226 A228 L247	E151-I231 WeakPolarHBondContact CA-O 3.48Å; I152-I231 HydrophobicContact CB-CG1 4.11Å; I152-I231 PolarHBondContact N-O 2.88Å; I152-I231 PolarHBondContact O-N 3.18Å; I152-I231 VanDerWaalsContact O-N 3.07Å; I160-I231 HydrophobicContact CD1-CD1 4.3Å; I160-I231 HydrophobicContact CD1-CG2 3.64Å; R184-I231 CarbonylContact O-C 3.5Å; R184-I231 WeakPolarHBondContact O-CA 3.33Å; L226-I231 HydrophobicContact CD2-CG2 4.37Å; A228-I231 HydrophobicContact CB-CG2 3.98Å; I231-L247 HydrophobicContact CD1-CD2 4.04Å
232	R	96.8	Very high	93.4	Very high	34 Å²	34	33.1 Å²	33.1	13%	0.128	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.2	170	-73.9	179.9	176.6	-164.8	-5.4	109.6	Y149 V150 E151 I183 R184 W194 Y234	Y149-R232 HydrophobicContact CD2-CB 4.26Å; Y149-R232 HydrophobicContact CD2-CG 3.7Å; Y149-R232 HydrophobicContact CE2-CG 4.16Å; Y149-R232 VanDerWaalsContact CE2-NE 3.3Å; Y149-R232 HydrophobicContact CG-CB 4.43Å; Y149-R232 HydrophobicContact CG-CG 4.28Å; Y149-R232 VanDerWaalsContact OH-CZ 3.31Å; Y149-R232 PolarHBondContact OH-NH1 3.47Å; Y149-R232 PolarHBondContact OH-NH2 3.47Å; Y149-R232 VanDerWaalsContact OH-NH2 3.14Å; V150-R232 CarbonylContact O-C 3.54Å; V150-R232 VanDerWaalsContact O-CA 3.26Å; V150-R232 WeakPolarHBondContact O-CA 3.32Å; E151-R232 HydrophobicContact CB-CG 3.96Å; E151-R232 HydrophobicContact CG-CG 3.99Å; E151-R232 IonicContact OE2-CZ 3.4Å; E151-R232 IonicContact OE2-NE 3.98Å; E151-R232 PolarHBondContact OE2-NE 3.43Å; E151-R232 IonicContact OE2-NH2 2.8Å; E151-R232 PolarHBondContact OE2-NH2 2.61Å; I183-R232 WeakPolarHBondContact CA-O 3.23Å; R184-R232 HydrophobicContact CB-CB 4.37Å; R184-R232 PolarHBondContact N-O 3.47Å; R184-R232 PolarHBondContact O-N 3.31Å; W194-R232 VanDerWaalsContact CE2-CZ 3.41Å; W194-R232 VanDerWaalsContact CE2-NE 3.26Å; W194-R232 HydrophobicContact CE3-CG 4.07Å; W194-R232 HydrophobicContact CH2-CG 3.81Å; W194-R232 HydrophobicContact CZ2-CG 4.3Å; W194-R232 VanDerWaalsContact CZ2-CZ 3.48Å; W194-R232 HydrophobicContact CZ3-CB 4.43Å; W194-R232 HydrophobicContact CZ3-CG 3.68Å; R232-Y234 HydrophobicContact CB-CD2 4.07Å; R232-Y234 HydrophobicContact CB-CE2 3.56Å; R232-Y234 HydrophobicContact CG-CE2 4.4Å; R232-Y234 PolarHBondContact NH1-OH 3.23Å
233	I	96.2	Very high	93.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.4	173.3	-50.3	-57.8	0	0	0	108.9	Y149 V150 I165 F181 I183 P235 I245 L247	Y149-I233 VanDerWaalsContact CA-O 3.3Å; Y149-I233 WeakPolarHBondContact CA-O 3.48Å; V150-I233 HydrophobicContact CG1-CB 3.93Å; V150-I233 HydrophobicContact CG1-CG1 4.35Å; V150-I233 PolarHBondContact N-O 3.34Å; V150-I233 PolarHBondContact O-N 2.99Å; I165-I233 HydrophobicContact CD1-CG2 4.09Å; F181-I233 HydrophobicContact CB-CG2 4.14Å; F181-I233 HydrophobicContact CD2-CG2 3.9Å; F181-I233 HydrophobicContact CG-CG2 4.31Å; I183-I233 HydrophobicContact CG1-CD1 3.87Å; I183-I233 HydrophobicContact CG2-CD1 4.45Å; I233-P235 WeakPolarHBondContact O-CD 3.18Å; I233-I245 HydrophobicContact CB-CD1 4.48Å; I233-I245 HydrophobicContact CG2-CD1 3.65Å; I233-L247 HydrophobicContact CD1-CD1 4.24Å; I233-L247 HydrophobicContact CD1-CD2 4.16Å; I233-L247 HydrophobicContact CG1-CD1 4.19Å; I233-L247 HydrophobicContact CG1-CD2 3.73Å
234	Y	96.3	Very high	93.7	Very high	9 Å²	9	30.9 Å²	30.9	4%	0.035	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	106.5	177.1	-73.3	-96.1	0	0	0	109.3	C146 E148 Y149 F181 Y182 R184 R232	C146-Y234 WeakPolarHBondContact O-CD1 3.47Å; C146-Y234 WeakPolarHBondContact O-CE1 3.38Å; E148-Y234 VanDerWaalsContact O-CD1 3.22Å; E148-Y234 WeakPolarHBondContact O-CD1 3.27Å; Y149-Y234 HydrophobicContact CD1-CD1 4.23Å; Y149-Y234 AromaticContact CD1-CE1 3.39Å; Y149-Y234 HydrophobicContact CD1-CE1 3.39Å; Y149-Y234 HydrophobicContact CD1-CE2 4.35Å; Y149-Y234 AromaticContact CD1-CZ 3.45Å; Y149-Y234 VanDerWaalsContact CD1-CZ 3.45Å; Y149-Y234 WeakPolarHBondContact CD1-OH 3.46Å; Y149-Y234 HydrophobicContact CE1-CE1 4.33Å; Y149-Y234 AromaticContact CG-CE1 3.95Å; Y149-Y234 HydrophobicContact CG-CE1 3.95Å; Y149-Y234 HydrophobicContact CG-CE2 4.25Å; Y149-Y234 AromaticContact CG-CZ 3.8Å; F181-Y234 CarbonylContact C-O 3.5Å; F181-Y234 WeakPolarHBondContact CA-O 3.24Å; F181-Y234 WeakPolarHBondContact CB-O 3.35Å; Y182-Y234 PolarHBondContact N-O 3.35Å; Y182-Y234 PolarHBondContact O-N 2.72Å; R184-Y234 HydrophobicContact CB-CD2 4.41Å; R184-Y234 HydrophobicContact CB-CE2 3.93Å; R184-Y234 HydrophobicContact CG-CD2 4.2Å; R184-Y234 HydrophobicContact CG-CE2 3.86Å; R184-Y234 PolarHBondContact NH1-OH 3.47Å; R232-Y234 HydrophobicContact CB-CD2 4.07Å; R232-Y234 HydrophobicContact CB-CE2 3.56Å; R232-Y234 HydrophobicContact CG-CE2 4.4Å; R232-Y234 PolarHBondContact NH1-OH 3.23Å
235	P	95.6	Very high	93.8	Very high	2 Å²	2	30 Å²	30	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.8	172.8	26.9	-33.6	0	0	0	110.9	W136 P138 I142 E148 T178 I233 V243 I245	W136-P235 HydrophobicContact CH2-CG 4.15Å; W136-P235 HydrophobicContact CZ3-CG 4.02Å; P138-P235 HydrophobicContact CG-CG 4.29Å; I142-P235 HydrophobicContact CD1-CG 3.92Å; I142-P235 HydrophobicContact CG1-CB 4.25Å; I142-P235 HydrophobicContact CG1-CG 3.89Å; I142-P235 HydrophobicContact CG2-CB 4.17Å; I142-P235 HydrophobicContact CG2-CG 4.37Å; I142-P235 WeakPolarHBondContact CG2-O 3.33Å; E148-P235 WeakPolarHBondContact O-CD 3.2Å; T178-P235 HydrophobicContact CG2-CB 3.74Å; I233-P235 WeakPolarHBondContact O-CD 3.18Å; P235-V243 HydrophobicContact CB-CG2 3.9Å; P235-V243 HydrophobicContact CG-CG2 4.12Å; P235-I245 HydrophobicContact CB-CD1 4.19Å
236	Y	94	Very high	93.7	Very high	33 Å²	33	31.5 Å²	31.5	13%	0.129	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.5	177.1	-177.4	-82.9	0	0	0	110.4	T144 Y180 Y182	T144-Y236 HydrophobicContact CG2-CE1 4.46Å; T144-Y236 HydrophobicContact CG2-CE2 4.05Å; T144-Y236 WeakPolarHBondContact CG2-OH 3.27Å; Y180-Y236 HydrophobicContact CD2-CD1 4.32Å; Y180-Y236 PolarHBondContact N-O 3.26Å; Y180-Y236 PolarHBondContact O-N 3.19Å; Y180-Y236 VanDerWaalsContact O-O 3.06Å; Y182-Y236 AromaticContact CE2-CD2 3.63Å; Y182-Y236 HydrophobicContact CE2-CD2 3.63Å; Y182-Y236 HydrophobicContact CE2-CE2 4.31Å; Y182-Y236 AromaticContact CE2-CG 3.86Å; Y182-Y236 HydrophobicContact CE2-CG 3.86Å
237	R	92.4	Very high	93.6	Very high	41 Å²	41	31.4 Å²	31.4	16%	0.155	16%	0.155	C	C	.	.			trans	-151.2	132.9	171.1	-163.1	-177.7	-76.4	177.4	1	109.6	S143 Y177 P179 T239 F242	S143-R237 CarbonylContact C-O 3.31Å; S143-R237 VanDerWaalsContact C-O 3.3Å; Y177-R237 PolarHBondContact O-NH2 2.86Å; P179-R237 HydrophobicContact CG-CB 4.34Å; P179-R237 HydrophobicContact CG-CG 3.88Å; R237-T239 WeakPolarHBondContact CD-O 3.49Å; R237-T239 WeakPolarHBondContact CG-O 3.39Å; R237-T239 PolarHBondContact O-N 3.07Å; R237-F242 PolarHBondContact NH1-O 3.39Å; R237-F242 PolarHBondContact NH2-O 3.03Å
238	D	90.4	Very high	93.4	Very high	82 Å²	82	32 Å²	32	44%	0.439	16%	0.157	S	C	.	.	S	Bend	trans	-66.4	-27.5	-179.5	-42.6	-105.7	0	0	0	111.6	Y180 R207	Y180-D238 WeakPolarHBondContact CD2-OD2 3.39Å; Y180-D238 WeakPolarHBondContact CE2-OD2 3.28Å; R207-D238 IonicContact CZ-OD1 3.93Å; R207-D238 IonicContact NH1-OD1 2.63Å; R207-D238 PolarHBondContact NH1-OD1 2.91Å; R207-D238 IonicContact NH1-OD2 3.71Å
239	T	90.6	Very high	93.3	Very high	97 Å²	97	32 Å²	32	60%	0.595	16%	0.157	S	C	*	.	S	Bend	trans	-112.2	132.9	173.2	55.2	0	0	0	0	110.9	R237 G241	R237-T239 WeakPolarHBondContact CD-O 3.49Å; R237-T239 WeakPolarHBondContact CG-O 3.39Å; R237-T239 PolarHBondContact O-N 3.07Å; T239-G241 PolarHBondContact O-N 3.1Å
240	P	92.3	Very high	93.3	Very high	91 Å²	91	31.8 Å²	31.8	59%	0.591	16%	0.156	S	C	*	.			trans	-58.6	130.7	-178.4	-27.2	34.4	0	0	0	114.2	I142	I142-P240 CarbonylContact O-C 3.54Å; I142-P240 VanDerWaalsContact O-CA 3.28Å; I142-P240 WeakPolarHBondContact O-CA 3.4Å
241	G	91.5	Very high	93.1	Very high	8 Å²	8	30.5 Å²	30.5	8%	0.082	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-176.3	173.9	174.9	0	0	0	0	0	116.2	I142 T239	I142-G241 PolarHBondContact N-O 2.96Å; I142-G241 PolarHBondContact O-N 3.5Å; T239-G241 PolarHBondContact O-N 3.1Å
242	F	91.5	Very high	92.9	Very high	86 Å²	86	31.5 Å²	31.5	38%	0.377	16%	0.158	S	C	.	.			trans	-76.2	137.2	178.2	-62.1	-73.2	0	0	0	111.6	R141 R237	R141-F242 HydrophobicContact CG-CD1 3.95Å; R141-F242 HydrophobicContact CG-CD2 4.34Å; R141-F242 HydrophobicContact CG-CE1 3.67Å; R141-F242 HydrophobicContact CG-CE2 4.1Å; R141-F242 HydrophobicContact CG-CG 4.29Å; R141-F242 HydrophobicContact CG-CZ 3.76Å; R237-F242 PolarHBondContact NH1-O 3.39Å; R237-F242 PolarHBondContact NH2-O 3.03Å
243	V	93.1	Very high	92.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	17%	0.174	C	C	.	.			trans	-124.2	163.1	174.2	-52	0	0	0	0	109.4	P138 I142 T178 P235	P138-V243 HydrophobicContact CG-CG2 3.71Å; I142-V243 HydrophobicContact CB-CG1 3.98Å; I142-V243 HydrophobicContact CB-CG2 4.41Å; I142-V243 HydrophobicContact CG1-CB 4.45Å; I142-V243 HydrophobicContact CG1-CG1 4.05Å; I142-V243 HydrophobicContact CG1-CG2 3.56Å; I142-V243 HydrophobicContact CG2-CG1 4.49Å; T178-V243 WeakPolarHBondContact OG1-CB 3.29Å; P235-V243 HydrophobicContact CB-CG2 3.9Å; P235-V243 HydrophobicContact CG-CG2 4.12Å
244	C	93	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.			trans	-138.4	160.5	155.7	-59.2	0	0	0	0	108.7	A135 W136 C137 L168 R176 T178	A135-C244 HydrophobicContact CB-CB 4.13Å; W136-C244 CarbonylContact O-C 3.3Å; W136-C244 WeakPolarHBondContact O-CA 3.24Å; W136-C244 WeakPolarHBondContact O-CB 3.3Å; C137-C244 HydrophobicContact CB-CB 4.13Å; C137-C244 WeakPolarHBondContact CB-SG 3.26Å; C137-C244 WeakPolarHBondContact SG-CB 3.41Å; C137-C244 CovalentContact SG-SG 2.04Å; C137-C244 PolarHBondContact SG-SG 3.44Å; L168-C244 HydrophobicContact CB-CB 3.82Å; R176-C244 HydrophobicContact CB-CB 4.21Å; R176-C244 VanDerWaalsContact CD-SG 3.6Å; T178-C244 PolarHBondContact OG1-O 3.05Å; T178-C244 VanDerWaalsContact OG1-O 3.08Å
245	I	92.5	Very high	91.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-135.3	125.2	176.5	-62.8	-177.7	0	0	0	109.2	W136 I165 S166 T178 I233 P235 L247	W136-I245 HydrophobicContact CE3-CB 4.22Å; W136-I245 HydrophobicContact CE3-CD1 4.21Å; W136-I245 HydrophobicContact CE3-CG1 4.39Å; W136-I245 HydrophobicContact CZ3-CD1 4.07Å; W136-I245 PolarHBondContact N-O 3.42Å; W136-I245 PolarHBondContact O-N 3.38Å; I165-I245 HydrophobicContact CG1-CG2 4.45Å; I165-I245 HydrophobicContact CG2-CG2 4.27Å; S166-I245 WeakPolarHBondContact O-CA 3.08Å; T178-I245 HydrophobicContact CG2-CD1 4.1Å; T178-I245 HydrophobicContact CG2-CG1 4.3Å; T178-I245 WeakPolarHBondContact OG1-CG1 3.45Å; I233-I245 HydrophobicContact CB-CD1 4.48Å; I233-I245 HydrophobicContact CG2-CD1 3.65Å; P235-I245 HydrophobicContact CB-CD1 4.19Å; I245-L247 HydrophobicContact CG2-CB 4.09Å
246	R	90.3	Very high	91.3	Very high	61 Å²	61	39.3 Å²	39.3	23%	0.23	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.6	151.1	168.5	170.7	172.3	178.1	-7.3	107.4	Y122 E130 N131 A135 I165 S166	Y122-R246 HydrophobicContact CE2-CB 4.2Å; Y122-R246 HydrophobicContact CE2-CG 4.2Å; E130-R246 VanDerWaalsContact O-CZ 3.28Å; E130-R246 PolarHBondContact O-NH1 2.77Å; E130-R246 PolarHBondContact O-NH2 2.93Å; N131-R246 VanDerWaalsContact C-NH1 3.26Å; N131-R246 PolarHBondContact O-NH1 3.23Å; A135-R246 HydrophobicContact CB-CB 4.16Å; I165-R246 WeakPolarHBondContact CA-O 3.29Å; S166-R246 PolarHBondContact N-O 2.93Å; S166-R246 PolarHBondContact O-N 2.93Å
247	L	91.5	Very high	91	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.7	-172.5	-179.9	80.9	0	0	0	110.5	L96 Y122 I152 V163 V164 I165 I231 I233 I245	L96-L247 WeakPolarHBondContact CD1-O 3.37Å; Y122-L247 PolarHBondContact OH-N 3.18Å; Y122-L247 PolarHBondContact OH-O 3.46Å; I152-L247 HydrophobicContact CD1-CD2 3.61Å; V163-L247 HydrophobicContact CB-CD1 4.09Å; V163-L247 HydrophobicContact CG1-CD1 4.49Å; V164-L247 CarbonylContact O-C 3.58Å; V164-L247 VanDerWaalsContact O-CA 3.29Å; V164-L247 WeakPolarHBondContact O-CA 3.38Å; I165-L247 HydrophobicContact CD1-CD1 3.94Å; I165-L247 HydrophobicContact CG1-CD1 3.5Å; I231-L247 HydrophobicContact CD1-CD2 4.04Å; I233-L247 HydrophobicContact CD1-CD1 4.24Å; I233-L247 HydrophobicContact CD1-CD2 4.16Å; I233-L247 HydrophobicContact CG1-CD1 4.19Å; I233-L247 HydrophobicContact CG1-CD2 3.73Å; I245-L247 HydrophobicContact CG2-CB 4.09Å
248	E	90.8	Very high	91.2	Very high	24 Å²	24	36.6 Å²	36.6	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139	160.5	-178	56.6	-146.8	0	0	110.1	S94 L95 L96 V163 V164 Y250	S94-E248 VanDerWaalsContact CB-OE1 3.27Å; S94-E248 WeakPolarHBondContact CB-OE1 3.45Å; S94-E248 PolarHBondContact OG-OE1 3.03Å; L95-E248 PolarHBondContact N-OE1 3.19Å; L96-E248 PolarHBondContact N-OE1 3.22Å; V163-E248 CarbonylContact C-O 3.52Å; V163-E248 WeakPolarHBondContact CA-O 3.39Å; V164-E248 HydrophobicContact CB-CB 4.38Å; V164-E248 PolarHBondContact N-O 2.96Å; V164-E248 PolarHBondContact O-N 3.45Å; E248-Y250 HydrophobicContact CB-CE2 4.04Å; E248-Y250 HydrophobicContact CG-CD2 4Å; E248-Y250 HydrophobicContact CG-CE2 3.41Å; E248-Y250 VanDerWaalsContact CG-CE2 3.41Å
249	A	93.7	Very high	91.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.5	177.2	0	0	0	0	0	110.3	L95 L96 I160	L95-A249 HydrophobicContact CB-CB 4.38Å; L95-A249 WeakPolarHBondContact CB-O 3.38Å; L95-A249 HydrophobicContact CD1-CB 4.3Å; L95-A249 PolarHBondContact N-O 3.46Å; L96-A249 HydrophobicContact CD1-CB 4.35Å; L96-A249 HydrophobicContact CG-CB 4.18Å; I160-A249 HydrophobicContact CG2-CB 4.33Å
250	Y	93.5	Very high	91.6	Very high	65 Å²	65	30.2 Å²	30.2	26%	0.255	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.9	-179.6	-68.2	-97.4	0	0	0	111.1	I92 Q93 I160 T161 K162 V164 E248	I92-Y250 WeakPolarHBondContact O-CD1 3.21Å; Q93-Y250 CarbonylContact O-C 3.52Å; Q93-Y250 VanDerWaalsContact O-CA 3.26Å; Q93-Y250 WeakPolarHBondContact O-CA 3.37Å; I160-Y250 CarbonylContact C-O 3.49Å; I160-Y250 WeakPolarHBondContact CA-O 3.45Å; T161-Y250 PolarHBondContact N-O 3.14Å; T161-Y250 PolarHBondContact OG1-O 2.69Å; K162-Y250 VanDerWaalsContact CE-CG 3.47Å; K162-Y250 PolarHBondContact N-O 3.13Å; K162-Y250 PolarHBondContact O-N 3.13Å; V164-Y250 HydrophobicContact CB-CE2 4.43Å; V164-Y250 HydrophobicContact CG2-CD2 3.95Å; V164-Y250 HydrophobicContact CG2-CE2 3.53Å; E248-Y250 HydrophobicContact CB-CE2 4.04Å; E248-Y250 HydrophobicContact CG-CD2 4Å; E248-Y250 HydrophobicContact CG-CE2 3.41Å; E248-Y250 VanDerWaalsContact CG-CE2 3.41Å
251	G	93.2	Very high	91.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-141.9	-175.5	0	0	0	0	0	114.5	C91 I92 Q93 I159	C91-G251 CarbonylContact C-O 3.58Å; C91-G251 VanDerWaalsContact C-O 3.31Å; C91-G251 WeakPolarHBondContact O-CA 3.37Å; C91-G251 VanDerWaalsContact SG-C 3.56Å; I92-G251 PolarHBondContact N-O 2.73Å; Q93-G251 WeakPolarHBondContact CB-O 3.32Å; Q93-G251 PolarHBondContact N-O 3.47Å; Q93-G251 PolarHBondContact O-N 2.96Å; I159-G251 CarbonylContact O-C 3.56Å; I159-G251 WeakPolarHBondContact O-CA 3.28Å
252	C	91.8	Very high	91.9	Very high	22 Å²	22	30.7 Å²	30.7	15%	0.149	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.1	173.5	57	0	0	0	0	111.9	C91 N158 I159	C91-C252 HydrophobicContact CB-CB 3.9Å; C91-C252 WeakPolarHBondContact CB-SG 3.32Å; C91-C252 WeakPolarHBondContact SG-CB 3.48Å; C91-C252 PolarHBondContact SG-N 3.01Å; C91-C252 CovalentContact SG-SG 2.05Å; C91-C252 PolarHBondContact SG-SG 3.31Å; N158-C252 CarbonylContact C-O 3.51Å; N158-C252 WeakPolarHBondContact CA-O 3.33Å; N158-C252 PolarHBondContact OD1-O 3.35Å; I159-C252 PolarHBondContact N-O 2.86Å; I159-C252 PolarHBondContact O-N 2.87Å
253	R	90.7	Very high	92	Very high	120 Å²	120	26.6 Å²	26.6	45%	0.453	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	134.4	169.5	175.8	179.9	-179.3	138.4	6.2	109.5	E156 N158 S255	E156-R253 WeakPolarHBondContact OE1-CB 2.88Å; E156-R253 VanDerWaalsContact OE1-CD 3.31Å; E156-R253 WeakPolarHBondContact OE1-CD 3.42Å; E156-R253 WeakPolarHBondContact OE1-CG 3.42Å; E156-R253 IonicContact OE1-NH1 2.77Å; E156-R253 IonicContact OE2-CZ 3.63Å; E156-R253 IonicContact OE2-NE 3.9Å; E156-R253 PolarHBondContact OE2-NE 3Å; E156-R253 IonicContact OE2-NH1 3.21Å; E156-R253 PolarHBondContact OE2-NH1 3.1Å; E156-R253 IonicContact OE2-NH2 3.79Å; N158-R253 WeakPolarHBondContact OD1-CA 3.01Å; N158-R253 PolarHBondContact OD1-N 2.85Å; R253-S255 PolarHBondContact O-N 3.1Å
254	F	90.6	Very high	92	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.031	13%	0.126	C	C	.	.			trans	-83.7	95.2	171.5	-170.9	-152.7	0	0	0	109.9	L157 I159 I227 D256 D257 L258 I328	L157-F254 HydrophobicContact CD2-CD1 3.74Å; L157-F254 HydrophobicContact CD2-CE1 4.44Å; L157-F254 HydrophobicContact CG-CB 4.35Å; L157-F254 HydrophobicContact CG-CD1 4.14Å; L157-F254 PolarHBondContact O-N 3.19Å; I159-F254 HydrophobicContact CD1-CB 4.39Å; I159-F254 HydrophobicContact CD1-CD2 3.71Å; I159-F254 HydrophobicContact CD1-CE2 4.33Å; I159-F254 HydrophobicContact CD1-CG 4.23Å; I159-F254 HydrophobicContact CG1-CB 3.75Å; I159-F254 HydrophobicContact CG1-CD2 3.98Å; I159-F254 HydrophobicContact CG1-CG 3.96Å; I227-F254 HydrophobicContact CD1-CD1 4.38Å; I227-F254 HydrophobicContact CD1-CE1 3.98Å; I227-F254 HydrophobicContact CD1-CZ 4.24Å; I227-F254 HydrophobicContact CG2-CD1 3.47Å; I227-F254 VanDerWaalsContact CG2-CD1 3.47Å; I227-F254 HydrophobicContact CG2-CE1 3.84Å; I227-F254 HydrophobicContact CG2-CG 4.34Å; F254-D256 HydrophobicContact CD2-CB 4.33Å; F254-D256 HydrophobicContact CE2-CB 3.79Å; F254-D256 HydrophobicContact CZ-CB 3.96Å; F254-D256 PolarHBondContact O-N 2.85Å; F254-D257 PolarHBondContact O-N 2.88Å; F254-L258 HydrophobicContact CE1-CB 3.85Å; F254-L258 WeakPolarHBondContact CE1-O 3.4Å; F254-L258 HydrophobicContact CZ-CB 3.94Å; F254-I328 HydrophobicContact CE2-CG2 4.19Å; F254-I328 HydrophobicContact CZ-CG2 3.62Å
255	S	84.4	Confident	91.8	Very high	70 Å²	70	28.4 Å²	28.4	49%	0.49	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.6	-174.6	41.8	0	0	0	0	114.4	R253 D257 R388	R253-S255 PolarHBondContact O-N 3.1Å; S255-D257 VanDerWaalsContact C-N 3.29Å; S255-D257 PolarHBondContact O-N 3.29Å; S255-R388 PolarHBondContact O-NH1 3.03Å; S255-R388 PolarHBondContact O-NH2 2.84Å
256	D	84.4	Confident	91.5	Very high	13 Å²	13	28.7 Å²	28.7	7%	0.07	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.2	-168.6	-60	34	0	0	0	111.4	F254 L258 F384 R388 F474	F254-D256 HydrophobicContact CD2-CB 4.33Å; F254-D256 HydrophobicContact CE2-CB 3.79Å; F254-D256 HydrophobicContact CZ-CB 3.96Å; F254-D256 PolarHBondContact O-N 2.85Å; D256-L258 PolarHBondContact O-N 2.78Å; D256-F384 WeakPolarHBondContact O-CD1 3.5Å; D256-R388 VanDerWaalsContact O-CD 3.27Å; D256-R388 WeakPolarHBondContact O-CD 3.36Å; D256-R388 PolarHBondContact O-NE 2.93Å; D256-R388 PolarHBondContact O-NH1 2.92Å; D256-F474 PolarHBondContact OD2-N 2.8Å
257	D	89.7	Confident	91.1	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.091	13%	0.126	C	C	.	.			trans	44.7	36.7	-167.4	-54.9	-66.8	0	0	0	113.8	F254 S255 F384 A385 R388	F254-D257 PolarHBondContact O-N 2.88Å; S255-D257 VanDerWaalsContact C-N 3.29Å; S255-D257 PolarHBondContact O-N 3.29Å; D257-F384 CarbonylContact O-C 3.5Å; D257-F384 WeakPolarHBondContact O-CA 3.28Å; D257-A385 HydrophobicContact CB-CB 4.12Å; D257-A385 PolarHBondContact O-N 2.8Å; D257-R388 VanDerWaalsContact CB-NH1 3.27Å; D257-R388 IonicContact OD2-CZ 3.54Å; D257-R388 IonicContact OD2-NH1 3.41Å; D257-R388 PolarHBondContact OD2-NH1 2.8Å
258	L	95	Very high	90.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	136.5	170	-174	77.2	0	0	0	109.2	L157 F254 D256 Y261 L324 I328 F382 R383 F384	L157-L258 WeakPolarHBondContact CD2-O 3.5Å; F254-L258 HydrophobicContact CE1-CB 3.85Å; F254-L258 WeakPolarHBondContact CE1-O 3.4Å; F254-L258 HydrophobicContact CZ-CB 3.94Å; D256-L258 PolarHBondContact O-N 2.78Å; L258-Y261 HydrophobicContact CD2-CD1 4.48Å; L258-L324 HydrophobicContact CD2-CD2 3.67Å; L258-L324 HydrophobicContact CG-CD2 3.97Å; L258-I328 HydrophobicContact CD2-CD1 3.61Å; L258-I328 HydrophobicContact CD2-CG1 3.8Å; L258-I328 HydrophobicContact CD2-CG2 4.15Å; L258-F382 HydrophobicContact CD1-CB 3.75Å; L258-F382 HydrophobicContact CD1-CD1 4.11Å; L258-F382 HydrophobicContact CD1-CG 4.44Å; L258-F382 HydrophobicContact CD2-CD1 4.16Å; L258-R383 WeakPolarHBondContact CD1-O 3.14Å; L258-F384 HydrophobicContact CB-CD1 4.02Å; L258-F384 HydrophobicContact CB-CE1 3.84Å; L258-F384 HydrophobicContact CD1-CD1 3.94Å; L258-F384 HydrophobicContact CD1-CD2 4.19Å; L258-F384 HydrophobicContact CD1-CE1 3.59Å; L258-F384 HydrophobicContact CD1-CE2 3.82Å; L258-F384 HydrophobicContact CD1-CG 4.25Å; L258-F384 HydrophobicContact CD1-CZ 3.52Å; L258-F384 HydrophobicContact CG-CE1 4.32Å
259	V	94	Very high	88.9	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-22.9	-174.7	-72.4	0	0	0	0	114	L157 R187 E188 R383 A385	L157-V259 HydrophobicContact CD2-CG1 4.04Å; R187-V259 HydrophobicContact CB-CG1 4.23Å; R187-V259 PolarHBondContact NE-O 2.93Å; R187-V259 PolarHBondContact NH2-O 3.1Å; E188-V259 HydrophobicContact CG-CB 4.37Å; E188-V259 HydrophobicContact CG-CG1 3.9Å; V259-R383 HydrophobicContact CG2-CG 4.41Å; V259-R383 VanDerWaalsContact CG2-O 3.25Å; V259-R383 WeakPolarHBondContact CG2-O 3.26Å; V259-R383 PolarHBondContact N-O 3Å; V259-A385 HydrophobicContact CG1-CB 3.78Å
260	E	94.9	Very high	87.3	Confident	43 Å²	43	32.6 Å²	32.6	20%	0.201	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	159.4	170.3	62.1	-168.5	-153.5	0	0	111.1	G323 R383	E260-G323 CarbonylContact C-O 3.51Å; E260-G323 VanDerWaalsContact CA-O 3.27Å; E260-G323 WeakPolarHBondContact CA-O 3.3Å; E260-R383 HydrophobicContact CG-CB 3.78Å; E260-R383 PolarHBondContact N-O 3.37Å; E260-R383 PolarHBondContact O-N 2.86Å; E260-R383 IonicContact OE1-CZ 2.76Å; E260-R383 IonicContact OE1-NE 3.47Å; E260-R383 PolarHBondContact OE1-NE 2.79Å; E260-R383 IonicContact OE1-NH2 3.74Å; E260-R383 IonicContact OE2-CZ 3.29Å; E260-R383 IonicContact OE2-NE 2.68Å; E260-R383 PolarHBondContact OE2-NE 3.29Å; E260-R383 IonicContact OE2-NH2 3.75Å; E260-R383 PolarHBondContact OE2-NH2 3.3Å
261	Y	96.4	Very high	85.2	Confident	1 Å²	1	30.4 Å²	30.4	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.8	158.1	55.8	-106.2	0	0	0	111.5	L258 I263 D306 Y309 G323 L324 G325 C326 L327 I328 L381 F382	L258-Y261 HydrophobicContact CD2-CD1 4.48Å; Y261-I263 HydrophobicContact CD2-CB 4.42Å; Y261-I263 HydrophobicContact CD2-CD1 3.75Å; Y261-I263 HydrophobicContact CD2-CG1 3.82Å; Y261-I263 HydrophobicContact CD2-CG2 3.86Å; Y261-I263 HydrophobicContact CE2-CD1 3.35Å; Y261-I263 HydrophobicContact CE2-CG1 3.83Å; Y261-D306 PolarHBondContact OH-OD2 2.84Å; Y261-Y309 HydrophobicContact CD2-CD2 4.47Å; Y261-Y309 AromaticContact CD2-CE2 3.74Å; Y261-Y309 HydrophobicContact CD2-CE2 3.74Å; Y261-Y309 AromaticContact CE2-CD2 3.61Å; Y261-Y309 HydrophobicContact CE2-CD2 3.61Å; Y261-Y309 AromaticContact CE2-CE2 3.31Å; Y261-Y309 HydrophobicContact CE2-CE2 3.31Å; Y261-Y309 AromaticContact CZ-CD2 3.89Å; Y261-Y309 AromaticContact CZ-CE2 3.87Å; Y261-Y309 PolarHBondContact O-OH 2.85Å; Y261-G323 PolarHBondContact N-O 3.38Å; Y261-L324 HydrophobicContact CD1-CD2 3.61Å; Y261-L324 HydrophobicContact CE1-CB 4.43Å; Y261-L324 HydrophobicContact CE1-CD2 3.99Å; Y261-G325 WeakPolarHBondContact OH-CA 3.47Å; Y261-G325 PolarHBondContact OH-N 2.67Å; Y261-G325 PolarHBondContact OH-O 2.92Å; Y261-C326 PolarHBondContact OH-N 2.91Å; Y261-L327 HydrophobicContact CE1-CB 4.41Å; Y261-I328 HydrophobicContact CD1-CD1 4.34Å; Y261-I328 HydrophobicContact CD1-CG1 3.88Å; Y261-I328 HydrophobicContact CE1-CD1 4.36Å; Y261-I328 HydrophobicContact CE1-CG1 3.56Å; Y261-L381 CarbonylContact C-O 3.52Å; Y261-L381 WeakPolarHBondContact CA-O 3.22Å; Y261-L381 WeakPolarHBondContact CB-O 3.08Å; Y261-F382 HydrophobicContact CD1-CE1 4.32Å; Y261-F382 HydrophobicContact CG-CE1 4.29Å
262	R	94.7	Very high	82.7	Confident	108 Å²	108	35.1 Å²	35.1	41%	0.408	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.5	170.9	176.1	-173.3	-68.3	-177	-4.1	108.9	L319 L320 D321 L381	R262-L319 HydrophobicContact CG-CD1 4.01Å; R262-L319 HydrophobicContact CG-CD2 4.08Å; R262-L319 HydrophobicContact CG-CG 4.14Å; R262-L320 CarbonylContact C-O 3.43Å; R262-L320 WeakPolarHBondContact CA-O 3.15Å; R262-D321 HydrophobicContact CG-CB 4.42Å; R262-D321 IonicContact CZ-OD1 2.71Å; R262-D321 IonicContact CZ-OD2 2.71Å; R262-D321 IonicContact NE-OD1 2.7Å; R262-D321 PolarHBondContact NE-OD1 2.94Å; R262-D321 IonicContact NE-OD2 2.7Å; R262-D321 PolarHBondContact NE-OD2 3.17Å; R262-D321 VanDerWaalsContact NH2-CG 3.28Å; R262-D321 IonicContact NH2-OD1 3.13Å; R262-D321 PolarHBondContact NH2-OD1 3.25Å; R262-D321 VanDerWaalsContact NH2-OD1 3.12Å; R262-D321 IonicContact NH2-OD2 3.81Å; R262-D321 PolarHBondContact NH2-OD2 3.24Å; R262-L381 HydrophobicContact CB-CB 4.29Å; R262-L381 PolarHBondContact N-O 3.37Å; R262-L381 PolarHBondContact O-N 2.88Å
263	I	94.4	Very high	80.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.5	-177	66	179.3	0	0	0	110.7	Y261 L320 L327 W362 M380	Y261-I263 HydrophobicContact CD2-CB 4.42Å; Y261-I263 HydrophobicContact CD2-CD1 3.75Å; Y261-I263 HydrophobicContact CD2-CG1 3.82Å; Y261-I263 HydrophobicContact CD2-CG2 3.86Å; Y261-I263 HydrophobicContact CE2-CD1 3.35Å; Y261-I263 HydrophobicContact CE2-CG1 3.83Å; I263-L320 HydrophobicContact CD1-CD1 4.14Å; I263-L320 HydrophobicContact CG1-CB 3.99Å; I263-L320 HydrophobicContact CG1-CD1 3.94Å; I263-L320 HydrophobicContact CG1-CG 4.39Å; I263-L320 PolarHBondContact N-O 2.95Å; I263-L320 WeakPolarHBondContact O-CB 3.43Å; I263-L320 PolarHBondContact O-N 3.42Å; I263-L327 HydrophobicContact CD1-CD1 3.67Å; I263-W362 HydrophobicContact CD1-CZ2 4.16Å; I263-M380 HydrophobicContact CB-CG 4.47Å; I263-M380 HydrophobicContact CG2-CB 3.76Å; I263-M380 HydrophobicContact CG2-CG 3.72Å; I263-M380 HydrophobicContact CG2-SD 4.34Å
264	P	92.3	Very high	78.3	Confident	20 Å²	20	44.3 Å²	44.3	13%	0.13	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141.2	167.2	-17.3	31.1	0	0	0	110.5	W362 W367 V378 D379	P264-W362 PolarHBondContact O-NE1 2.88Å; P264-W367 HydrophobicContact CB-CZ2 4.36Å; P264-W367 HydrophobicContact CG-CZ2 4.03Å; P264-V378 HydrophobicContact CG-CG1 4.23Å; P264-D379 WeakPolarHBondContact CD-O 2.97Å
265	E	89	Confident	75.7	Confident	21 Å²	21	46.8 Å²	46.8	10%	0.098	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-54.7	152.6	170.8	177	60.1	-95.2	0	0	111.3	S305 R313 S318 L320 W362 R366	E265-S305 WeakPolarHBondContact OE1-CB 3.34Å; E265-S305 PolarHBondContact OE1-OG 3.24Å; E265-R313 IonicContact OE1-NH1 2.77Å; E265-R313 IonicContact OE2-CZ 2.86Å; E265-R313 IonicContact OE2-NE 3.45Å; E265-R313 IonicContact OE2-NH1 2.87Å; E265-R313 PolarHBondContact OE2-NH1 2.86Å; E265-S318 WeakPolarHBondContact CB-O 3.38Å; E265-S318 PolarHBondContact N-O 2.73Å; E265-L320 HydrophobicContact CB-CG 4.44Å; E265-L320 WeakPolarHBondContact OE2-CD2 3.22Å; E265-W362 PolarHBondContact O-NE1 2.83Å; E265-R366 PolarHBondContact O-NH1 2.77Å; E265-R366 PolarHBondContact O-NH2 3.35Å
266	G	86.7	Confident	73.3	Confident	5 Å²	5	51 Å²	51	5%	0.052	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-60.9	162.5	174.6	0	0	0	0	0	113.3	F304 G361 R366	G266-F304 VanDerWaalsContact CA-O 3.29Å; G266-F304 WeakPolarHBondContact CA-O 3.38Å; G266-G361 CarbonylContact C-O 3.53Å; G266-G361 VanDerWaalsContact CA-O 3.31Å; G266-G361 WeakPolarHBondContact CA-O 3.48Å; G266-R366 PolarHBondContact O-NH2 3.47Å
267	S	82.2	Confident	71.1	Confident	11 Å²	11	55.7 Å²	55.7	8%	0.077	28%	0.283	C	S	.	.			trans	-116.5	136.2	-174.1	-56.4	0	0	0	0	111.5	A269 G361 R366 W466	S267-A269 PolarHBondContact O-N 2.76Å; S267-G361 PolarHBondContact N-O 3.45Å; S267-R366 PolarHBondContact OG-NE 2.7Å; S267-R366 PolarHBondContact OG-NH2 3.25Å; S267-W466 WeakPolarHBondContact O-CH2 3.35Å
268	L	71.5	Confident	68.5	Low	73 Å²	73	60.5 Å²	60.5	38%	0.382	31%	0.309	S	S	.	.			trans	-50.9	123.6	173.7	-66.4	170.6	0	0	0	111.2	H270 L302 W466	L268-H270 CarbonylContact O-C 3.57Å; L268-H270 PolarHBondContact O-N 2.96Å; L268-H270 VanDerWaalsContact O-N 3.14Å; L268-L302 HydrophobicContact CD2-CB 4.19Å; L268-L302 HydrophobicContact CD2-CD1 3.89Å; L268-L302 HydrophobicContact CD2-CD2 3.62Å; L268-L302 HydrophobicContact CD2-CG 4.09Å; L268-W466 WeakPolarHBondContact O-CH2 3.11Å
269	A	63.8	Low	65.6	Low	2 Å²	2	66.4 Å²	66.4	2%	0.017	34%	0.339	C	S	.	.	S	Bend	trans	-48.7	-40.4	176.9	0	0	0	0	0	112.9	S267 P271 P303 F304 I341 W466	S267-A269 PolarHBondContact O-N 2.76Å; A269-P271 WeakPolarHBondContact O-CD 3.48Å; A269-P303 HydrophobicContact CB-CB 4.05Å; A269-P303 HydrophobicContact CB-CG 3.53Å; A269-F304 HydrophobicContact CB-CD2 4.08Å; A269-F304 HydrophobicContact CB-CE2 3.74Å; A269-I341 HydrophobicContact CB-CG2 4.49Å; A269-I341 VanDerWaalsContact O-CG2 3.3Å; A269-I341 WeakPolarHBondContact O-CG2 3.39Å; A269-W466 VanDerWaalsContact O-CZ2 3.3Å; A269-W466 WeakPolarHBondContact O-CZ2 3.38Å
270	H	60.4	Low	62.7	Low	84 Å²	84	76.7 Å²	76.7	39%	0.389	38%	0.38	S	S	.	.	S	Bend	trans	-104	108.9	166.4	-67.1	114	0	0	0	110.3	L268 I341 Q343	L268-H270 CarbonylContact O-C 3.57Å; L268-H270 PolarHBondContact O-N 2.96Å; L268-H270 VanDerWaalsContact O-N 3.14Å; H270-I341 PolarHBondContact CE1-O 3.45Å; H270-I341 VanDerWaalsContact CE1-O 3.3Å; H270-Q343 PolarHBondContact CE1-N 3.08Å; H270-Q343 PolarHBondContact CE1-O 3.23Å
271	P	50.1	Low	59.9	Low	18 Å²	18	83.4 Å²	83.4	12%	0.117	41%	0.408	C	S	.	.			trans	-60.9	139.5	169.8	-21.6	32.7	0	0	0	110.5	A269 Y273 Q274 H363	A269-P271 WeakPolarHBondContact O-CD 3.48Å; P271-Y273 PolarHBondContact O-N 3.18Å; P271-Q274 PolarHBondContact O-N 2.79Å; P271-H363 WeakPolarHBondContact CG-ND1 3.48Å
272	P	39.9	Very low	56.9	Low	99 Å²	99	87.6 Å²	87.6	64%	0.643	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-9	-173.7	24.8	-34.9	0	0	0	114.7
273	Y	44.1	Very low	54	Low	215 Å²	215	92.1 Å²	92.1	84%	0.843	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.7	176.6	-64.7	-77.2	0	0	0	114.6	P271	P271-Y273 PolarHBondContact O-N 3.18Å
274	Q	46.2	Very low	50.9	Low	120 Å²	120	95.4 Å²	95.4	56%	0.561	50%	0.497	S	S	*	.	S	Bend	trans	-106.7	-2.6	178	-65.6	-170.8	14.3	0	0	114.1	P271 E276	P271-Q274 PolarHBondContact O-N 2.79Å; Q274-E276 PolarHBondContact O-N 3.47Å
275	A	35.2	Very low	47.9	Very low	59 Å²	59	100.2 Å²	100.2	49%	0.488	53%	0.532	S	S	.	.	S	Bend	trans	-66.5	124.9	167.8	0	0	0	0	0	109.8	T277	A275-T277 PolarHBondContact O-N 2.81Å
276	E	35.1	Very low	45	Very low	160 Å²	160	108.2 Å²	108.2	75%	0.748	57%	0.569	S	S	*	*			trans	-59.2	123.2	-178.2	-68.7	-164.8	160.8	0	0	111.1	Q274 N278 L279	Q274-E276 PolarHBondContact O-N 3.47Å; E276-N278 PolarHBondContact O-N 3.1Å; E276-L279 PolarHBondContact O-N 2.55Å
277	T	37.3	Very low	42.3	Very low	110 Å²	110	113.9 Å²	113.9	68%	0.675	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	14.7	-167.5	45	0	0	0	0	115.2	A275	A275-T277 PolarHBondContact O-N 2.81Å
278	N	34.5	Very low	39.7	Very low	119 Å²	119	124 Å²	124	64%	0.636	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-19	-176.9	-63.3	-39.9	0	0	0	113.8	E276	E276-N278 PolarHBondContact O-N 3.1Å
279	L	34.5	Very low	37.5	Very low	124 Å²	124	125.7 Å²	125.7	65%	0.649	66%	0.659	S	S	*	*	S	Bend	trans	-97.6	0.7	-178.9	-147.4	72.7	0	0	0	114.6	E276 Y623	E276-L279 PolarHBondContact O-N 2.55Å; L279-Y623 HydrophobicContact CD1-CE2 4.27Å
280	Y	33.7	Very low	35.7	Very low	217 Å²	217	132.1 Å²	132.1	85%	0.851	70%	0.698	S	S	*	*	S	Bend	trans	-110.8	18.9	-179.9	-98.2	-83.2	0	0	0	114
281	K	35.9	Very low	34.2	Very low	185 Å²	185	135.9 Å²	135.9	80%	0.804	72%	0.716	S	S	*	*	S	Bend	trans	-131.4	4	-175.9	-81.3	-177.3	175.9	172.9	0	115.9
282	S	33.3	Very low	33.1	Very low	89 Å²	89	144.4 Å²	144.4	62%	0.622	75%	0.751	S	S	*	*	S	Bend	trans	-132.3	28.2	-171.3	55.7	0	0	0	0	115.3
283	Q	33.4	Very low	32.5	Very low	202 Å²	202	143.5 Å²	143.5	94%	0.944	74%	0.741	S	S	*	*			trans	-147.2	127.7	154.9	-111.1	166.3	16.2	0	0	109.4
284	G	30.6	Very low	31.6	Very low	70 Å²	70	138.1 Å²	138.1	72%	0.722	73%	0.726	S	S	*	*			trans	-120.3	138.2	177.7	0	0	0	0	0	110
285	S	28	Very low	30.8	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	73%	0.727	S	S	*	*	S	Bend	trans	74.7	143.4	179.6	-56	0	0	0	0	117
286	E	28.4	Very low	30.5	Very low	189 Å²	189	138.3 Å²	138.3	88%	0.883	74%	0.738	S	S	*	*	S	Bend	trans	78.5	137.6	169.9	-50.7	-166.3	165.1	0	0	118.3
287	V	29.7	Very low	30.7	Very low	124 Å²	124	136.8 Å²	136.8	75%	0.752	73%	0.73	S	S	*	*			trans	58.1	70.2	172.5	-156.1	0	0	0	0	118
288	F	28.3	Very low	30.6	Very low	222 Å²	222	133.3 Å²	133.3	97%	0.974	71%	0.713	S	S	*	*			trans	-140.4	53.6	142.7	-120.4	-77.5	0	0	0	110.5
289	T	24.8	Very low	30.6	Very low	110 Å²	110	128.3 Å²	128.3	68%	0.675	69%	0.69	S	S	*	*			trans	-111	134.9	173.8	46.8	0	0	0	0	108.7
290	T	26.3	Very low	30.7	Very low	136 Å²	136	124.7 Å²	124.7	83%	0.834	68%	0.682	S	S	*	*			trans	56.3	122.1	-166.3	51.4	0	0	0	0	112.7
291	E	28.8	Very low	31.5	Very low	163 Å²	163	117 Å²	117	76%	0.762	67%	0.669	S	S	*	*			cis	-114.6	128.9	25.3	-62.5	170.5	171.5	0	0	113.4	L293	E291-L293 HydrophobicContact CB-CD1 4.21Å; E291-L293 HydrophobicContact CG-CD1 4.32Å
292	K	26.5	Very low	32.8	Very low	198 Å²	198	111.8 Å²	111.8	86%	0.861	65%	0.65	S	S	*	*			trans	-95.2	74.5	147.1	-86.4	-169.7	173.2	-174.3	0	107.4
293	L	28.2	Very low	34.4	Very low	80 Å²	80	107.9 Å²	107.9	42%	0.419	62%	0.622	S	S	.	*			trans	-65.7	141.4	163.8	-120.2	75.3	0	0	0	108.2	I204 E291 S295	I204-L293 HydrophobicContact CD1-CD2 4.2Å; E291-L293 HydrophobicContact CB-CD1 4.21Å; E291-L293 HydrophobicContact CG-CD1 4.32Å; L293-S295 PolarHBondContact O-N 3.39Å
294	N	26.1	Very low	37	Very low	101 Å²	101	98.3 Å²	98.3	54%	0.54	58%	0.577	S	S	.	*			trans	-76.8	60	-177.8	-73.6	-39	0	0	0	111.9	S296 S714	N294-S296 PolarHBondContact O-N 2.88Å; N294-S714 PolarHBondContact ND2-O 2.79Å
295	S	28.9	Very low	39.7	Very low	82 Å²	82	95.2 Å²	95.2	57%	0.573	55%	0.545	S	S	*	.			trans	-73.9	30.1	180	71.9	0	0	0	0	113.7	L293 A298	L293-S295 PolarHBondContact O-N 3.39Å; S295-A298 VanDerWaalsContact O-O 3.13Å
296	S	28.8	Very low	42.6	Very low	102 Å²	102	89.4 Å²	89.4	71%	0.713	50%	0.504	S	S	*	.	S	Bend	trans	-96.9	10.9	-164.7	47.2	0	0	0	0	114.7	N294	N294-S296 PolarHBondContact O-N 2.88Å
297	Q	38.4	Very low	45.3	Very low	127 Å²	127	81.3 Å²	81.3	59%	0.593	47%	0.468	S	S	*	.	S	Bend	trans	-135.2	-17.3	174.7	-73.4	-171.3	-20.9	0	0	115.5	R198	R198-Q297 VanDerWaalsContact NH1-CB 3.33Å
298	A	34.7	Very low	48.1	Very low	38 Å²	38	76.3 Å²	76.3	31%	0.314	44%	0.438	S	S	.	.	S	Bend	trans	-119.4	143	166	0	0	0	0	0	108.1	S295 G300	S295-A298 VanDerWaalsContact O-O 3.13Å; A298-G300 PolarHBondContact O-N 3.18Å
299	G	35.4	Very low	51.1	Low	14 Å²	14	66.2 Å²	66.2	14%	0.144	39%	0.393	C	S	.	.			trans	-71.1	37.2	-172.8	0	0	0	0	0	115.5	G301	G299-G301 PolarHBondContact O-N 2.63Å
300	G	37.2	Very low	54.3	Low	48 Å²	48	63 Å²	63	50%	0.495	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	94.8	-165.7	0	0	0	0	0	114.1	A298	A298-G300 PolarHBondContact O-N 3.18Å
301	G	50.5	Low	57.3	Low	56 Å²	56	57.3 Å²	57.3	58%	0.577	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.3	-13.7	166.1	0	0	0	0	0	115.2	G299	G299-G301 PolarHBondContact O-N 2.63Å
302	L	63.3	Low	60.2	Low	75 Å²	75	56 Å²	56	39%	0.393	33%	0.334	S	S	.	.			trans	-90.9	119.6	-176.3	-51.9	-160.8	0	0	0	110.8	L268 F304 S305	L268-L302 HydrophobicContact CD2-CB 4.19Å; L268-L302 HydrophobicContact CD2-CD1 3.89Å; L268-L302 HydrophobicContact CD2-CD2 3.62Å; L268-L302 HydrophobicContact CD2-CG 4.09Å; L302-F304 PolarHBondContact O-N 2.94Å; L302-S305 PolarHBondContact O-N 3.06Å
303	P	65.9	Low	63.2	Low	7 Å²	7	49.8 Å²	49.8	5%	0.045	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	135.8	171.8	29.1	-36.5	0	0	0	109.4	A269 S305 N356	A269-P303 HydrophobicContact CB-CB 4.05Å; A269-P303 HydrophobicContact CB-CG 3.53Å; P303-S305 VanDerWaalsContact C-N 3.32Å; P303-S305 PolarHBondContact O-N 3.39Å; P303-N356 HydrophobicContact CB-CB 4.38Å
304	F	87.5	Confident	65.9	Low	1 Å²	1	49.4 Å²	49.4	0%	0.004	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	11.4	-177.8	-41.4	-53	0	0	0	117.4	G266 A269 L302 P339 I341 N356 F359 G361 W466 L468	G266-F304 VanDerWaalsContact CA-O 3.29Å; G266-F304 WeakPolarHBondContact CA-O 3.38Å; A269-F304 HydrophobicContact CB-CD2 4.08Å; A269-F304 HydrophobicContact CB-CE2 3.74Å; L302-F304 PolarHBondContact O-N 2.94Å; F304-P339 HydrophobicContact CE1-CB 3.97Å; F304-P339 HydrophobicContact CZ-CB 4.3Å; F304-I341 HydrophobicContact CE2-CG1 3.98Å; F304-I341 HydrophobicContact CZ-CG1 4.39Å; F304-N356 HydrophobicContact CD1-CB 4.17Å; F304-N356 HydrophobicContact CE1-CB 3.68Å; F304-N356 HydrophobicContact CZ-CB 4.27Å; F304-F359 WeakPolarHBondContact CA-O 3.42Å; F304-F359 HydrophobicContact CD1-CB 4.08Å; F304-G361 PolarHBondContact O-N 3.09Å; F304-W466 HydrophobicContact CD2-CH2 4.13Å; F304-W466 AromaticContact CD2-CZ3 3.85Å; F304-W466 HydrophobicContact CD2-CZ3 3.85Å; F304-W466 HydrophobicContact CE2-CZ3 4.41Å; F304-L468 HydrophobicContact CB-CD2 4.4Å; F304-L468 HydrophobicContact CD1-CD1 4.34Å; F304-L468 HydrophobicContact CD1-CD2 4Å; F304-L468 HydrophobicContact CD2-CD2 4.08Å; F304-L468 HydrophobicContact CE1-CD1 3.86Å; F304-L468 HydrophobicContact CE1-CD2 4.26Å; F304-L468 HydrophobicContact CE2-CD2 4.33Å; F304-L468 HydrophobicContact CG-CD2 3.9Å; F304-L468 HydrophobicContact CZ-CD1 3.99Å; F304-L468 HydrophobicContact CZ-CD2 4.42Å
305	S	87.8	Confident	68.4	Low	5 Å²	5	50.3 Å²	50.3	4%	0.035	30%	0.304	C	S	.	.	S	Bend	trans	-77	149.4	163.9	179	0	0	0	0	111.5	E265 L302 P303 T307 R313	E265-S305 WeakPolarHBondContact OE1-CB 3.34Å; E265-S305 PolarHBondContact OE1-OG 3.24Å; L302-S305 PolarHBondContact O-N 3.06Å; P303-S305 VanDerWaalsContact C-N 3.32Å; P303-S305 PolarHBondContact O-N 3.39Å; S305-T307 VanDerWaalsContact C-N 3.28Å; S305-T307 PolarHBondContact O-N 2.73Å; S305-R313 PolarHBondContact OG-NH1 3.25Å
306	D	89.6	Confident	70.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.319	C	S	.	.			trans	-71.9	84.3	171.1	-168.8	-16.6	0	0	0	109.5	Y261 C308 Y309 R313 L320 C326 V360	Y261-D306 PolarHBondContact OH-OD2 2.84Å; D306-C308 VanDerWaalsContact C-N 3.27Å; D306-C308 PolarHBondContact O-N 3.38Å; D306-Y309 PolarHBondContact O-N 2.82Å; D306-Y309 PolarHBondContact OD1-N 2.91Å; D306-R313 PolarHBondContact O-NH1 3.43Å; D306-R313 PolarHBondContact O-NH2 2.79Å; D306-L320 HydrophobicContact CB-CD1 3.65Å; D306-C326 PolarHBondContact OD1-N 2.92Å; D306-C326 PolarHBondContact OD1-SG 2.89Å; D306-V360 HydrophobicContact CB-CG1 4.13Å; D306-V360 HydrophobicContact CB-CG2 3.83Å
307	T	85.4	Confident	71.8	Confident	19 Å²	19	50.8 Å²	50.8	12%	0.117	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.8	-171	52.6	0	0	0	0	114	S305	S305-T307 VanDerWaalsContact C-N 3.28Å; S305-T307 PolarHBondContact O-N 2.73Å
308	C	87.8	Confident	73.8	Confident	18 Å²	18	46.5 Å²	46.5	12%	0.122	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	12.9	-179.6	64.1	0	0	0	0	114.5	L200 P224 D306 D310 C326	L200-C308 HydrophobicContact CD1-CB 4.02Å; L200-C308 HydrophobicContact CD2-CB 4.06Å; L200-C308 HydrophobicContact CG-CB 4.09Å; P224-C308 HydrophobicContact CB-CB 4.05Å; P224-C308 HydrophobicContact CG-CB 3.94Å; D306-C308 VanDerWaalsContact C-N 3.27Å; D306-C308 PolarHBondContact O-N 3.38Å; C308-D310 PolarHBondContact O-N 3.25Å; C308-C326 WeakPolarHBondContact CB-SG 3.34Å; C308-C326 PolarHBondContact N-SG 3.24Å; C308-C326 WeakPolarHBondContact SG-CA 3.46Å; C308-C326 WeakPolarHBondContact SG-CB 3.33Å; C308-C326 PolarHBondContact SG-N 3.11Å; C308-C326 CovalentContact SG-SG 2.04Å; C308-C326 PolarHBondContact SG-SG 3.09Å
309	Y	91.6	Very high	76.4	Confident	11 Å²	11	47.5 Å²	47.5	4%	0.043	30%	0.297	C	S	.	.			trans	-61.9	123.7	175.6	-164.3	-106.4	0	0	0	113.4	Y261 D306 L320 D321 G322 G323 L324	Y261-Y309 HydrophobicContact CD2-CD2 4.47Å; Y261-Y309 AromaticContact CD2-CE2 3.74Å; Y261-Y309 HydrophobicContact CD2-CE2 3.74Å; Y261-Y309 AromaticContact CE2-CD2 3.61Å; Y261-Y309 HydrophobicContact CE2-CD2 3.61Å; Y261-Y309 AromaticContact CE2-CE2 3.31Å; Y261-Y309 HydrophobicContact CE2-CE2 3.31Å; Y261-Y309 AromaticContact CZ-CD2 3.89Å; Y261-Y309 AromaticContact CZ-CE2 3.87Å; Y261-Y309 PolarHBondContact O-OH 2.85Å; D306-Y309 PolarHBondContact O-N 2.82Å; D306-Y309 PolarHBondContact OD1-N 2.91Å; Y309-L320 HydrophobicContact CD1-CB 4.07Å; Y309-L320 HydrophobicContact CD1-CD1 4.46Å; Y309-L320 HydrophobicContact CD1-CD2 3.75Å; Y309-L320 HydrophobicContact CD1-CG 4.3Å; Y309-L320 HydrophobicContact CD2-CB 4.39Å; Y309-L320 HydrophobicContact CD2-CD1 4.24Å; Y309-L320 HydrophobicContact CE1-CB 3.69Å; Y309-L320 HydrophobicContact CE1-CD2 4.12Å; Y309-L320 HydrophobicContact CE1-CG 4.41Å; Y309-L320 HydrophobicContact CE2-CB 4.08Å; Y309-L320 HydrophobicContact CG-CB 4.38Å; Y309-L320 HydrophobicContact CG-CD1 4.11Å; Y309-L320 HydrophobicContact CG-CD2 4.17Å; Y309-L320 HydrophobicContact CG-CG 4.46Å; Y309-D321 VanDerWaalsContact OH-CA 3.24Å; Y309-D321 WeakPolarHBondContact OH-CA 3.09Å; Y309-D321 PolarHBondContact OH-N 2.68Å; Y309-D321 PolarHBondContact OH-O 2.92Å; Y309-G322 PolarHBondContact OH-N 2.78Å; Y309-G323 VanDerWaalsContact CE2-C 3.41Å; Y309-G323 WeakPolarHBondContact CE2-O 3.16Å; Y309-G323 WeakPolarHBondContact OH-CA 3.13Å; Y309-G323 PolarHBondContact OH-N 2.86Å; Y309-G323 PolarHBondContact OH-O 2.85Å; Y309-L324 CarbonylContact C-O 3.59Å; Y309-L324 WeakPolarHBondContact CA-O 3.25Å
310	D	91.3	Very high	79.1	Confident	41 Å²	41	46.9 Å²	46.9	22%	0.219	29%	0.29	C	S	.	.			trans	-100.4	7.2	-174.4	83.5	1.3	0	0	0	115.4	Y185 R187 R195 C308 G323 L324	Y185-D310 VanDerWaalsContact OH-CB 3.31Å; Y185-D310 WeakPolarHBondContact OH-CB 3.27Å; Y185-D310 VanDerWaalsContact OH-CG 3.29Å; Y185-D310 PolarHBondContact OH-OD2 3.04Å; R187-D310 IonicContact CZ-OD1 3.3Å; R187-D310 IonicContact CZ-OD2 3.6Å; R187-D310 IonicContact NH1-OD1 3.62Å; R187-D310 IonicContact NH1-OD2 3.51Å; R187-D310 PolarHBondContact NH1-OD2 3.01Å; R187-D310 IonicContact NH2-OD1 2.74Å; R187-D310 PolarHBondContact NH2-OD1 3.25Å; R187-D310 IonicContact NH2-OD2 2.73Å; R187-D310 PolarHBondContact NH2-OD2 3.38Å; R195-D310 IonicContact CZ-OD1 2.78Å; R195-D310 PolarHBondContact NH1-O 2.87Å; R195-D310 IonicContact NH1-OD1 3.44Å; R195-D310 PolarHBondContact NH1-OD1 3.14Å; C308-D310 PolarHBondContact O-N 3.25Å; D310-G323 WeakPolarHBondContact OD1-CA 3.47Å; D310-L324 PolarHBondContact N-O 2.73Å; D310-L324 PolarHBondContact OD1-N 3.46Å
311	G	90.8	Very high	81.7	Confident	18 Å²	18	45.8 Å²	45.8	19%	0.186	27%	0.273	C	S	.	.	S	Bend	trans	-102.2	-159.7	177.6	0	0	0	0	0	113.5
312	H	89.1	Confident	83.6	Confident	135 Å²	135	43.7 Å²	43.7	63%	0.625	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.4	179.8	-57.8	-55.5	0	0	0	111.1	I314 D321	H312-I314 HydrophobicContact CB-CG1 4.3Å; H312-D321 PolarHBondContact N-O 2.89Å; H312-D321 PolarHBondContact O-N 3.16Å
313	R	88.8	Confident	85	Confident	67 Å²	67	40.1 Å²	40.1	25%	0.253	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.2	167.5	-48.3	-161.2	-174.4	-126	-4.8	107.7	E265 S305 D306 L320	E265-R313 IonicContact OE1-NH1 2.77Å; E265-R313 IonicContact OE2-CZ 2.86Å; E265-R313 IonicContact OE2-NE 3.45Å; E265-R313 IonicContact OE2-NH1 2.87Å; E265-R313 PolarHBondContact OE2-NH1 2.86Å; S305-R313 PolarHBondContact OG-NH1 3.25Å; D306-R313 PolarHBondContact O-NH1 3.43Å; D306-R313 PolarHBondContact O-NH2 2.79Å; R313-L320 HydrophobicContact CB-CD2 4.24Å; R313-L320 HydrophobicContact CG-CD2 3.64Å
314	I	85.5	Confident	86.4	Confident	72 Å²	72	40 Å²	40	37%	0.369	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.1	-173.3	-58.4	-177.4	0	0	0	109.8	H312 S318 L319 D321	H312-I314 HydrophobicContact CB-CG1 4.3Å; I314-S318 PolarHBondContact O-N 2.87Å; I314-L319 HydrophobicContact CB-CB 4.38Å; I314-L319 PolarHBondContact N-O 3.28Å; I314-L319 PolarHBondContact O-N 3.23Å; I314-D321 HydrophobicContact CD1-CB 3.6Å; I314-D321 HydrophobicContact CG1-CB 4.28Å
315	E	77.9	Confident	86.7	Confident	121 Å²	121	40.4 Å²	40.4	57%	0.565	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122	149	171.5	-68.8	-63.8	174	0	0	110.7	G317 S318	E315-G317 PolarHBondContact OE2-N 3.2Å; E315-S318 WeakPolarHBondContact OE1-CA 3.3Å; E315-S318 VanDerWaalsContact OE1-CB 3.24Å; E315-S318 WeakPolarHBondContact OE1-CB 3.45Å; E315-S318 PolarHBondContact OE1-N 2.91Å; E315-S318 PolarHBondContact OE1-OG 3.39Å; E315-S318 PolarHBondContact OE2-N 2.95Å; E315-S318 PolarHBondContact OE2-OG 3.3Å
316	P	66.6	Low	86.9	Confident	135 Å²	135	40.8 Å²	40.8	88%	0.877	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	cis	-81	140.6	2.3	32.8	-35.1	0	0	0	113.4
317	G	61.9	Low	87.1	Confident	58 Å²	58	40.8 Å²	40.8	60%	0.598	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	128.8	-3.2	172.6	0	0	0	0	0	114.5	E315	E315-G317 PolarHBondContact OE2-N 3.2Å
318	S	81.4	Confident	87.4	Confident	37 Å²	37	40.1 Å²	40.1	26%	0.259	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	65.8	-178	-43.3	0	0	0	0	111.8	E265 I314 E315	E265-S318 WeakPolarHBondContact CB-O 3.38Å; E265-S318 PolarHBondContact N-O 2.73Å; I314-S318 PolarHBondContact O-N 2.87Å; E315-S318 WeakPolarHBondContact OE1-CA 3.3Å; E315-S318 VanDerWaalsContact OE1-CB 3.24Å; E315-S318 WeakPolarHBondContact OE1-CB 3.45Å; E315-S318 PolarHBondContact OE1-N 2.91Å; E315-S318 PolarHBondContact OE1-OG 3.39Å; E315-S318 PolarHBondContact OE2-N 2.95Å; E315-S318 PolarHBondContact OE2-OG 3.3Å
319	L	88.5	Confident	87.4	Confident	60 Å²	60	40 Å²	40	31%	0.314	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.1	178.7	-175.8	75.2	0	0	0	109.8	R262 I314	R262-L319 HydrophobicContact CG-CD1 4.01Å; R262-L319 HydrophobicContact CG-CD2 4.08Å; R262-L319 HydrophobicContact CG-CG 4.14Å; I314-L319 HydrophobicContact CB-CB 4.38Å; I314-L319 PolarHBondContact N-O 3.28Å; I314-L319 PolarHBondContact O-N 3.23Å
320	L	92.9	Very high	87.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	127	169.7	-59.5	-179.3	0	0	0	108.1	R262 I263 E265 D306 Y309 R313	R262-L320 CarbonylContact C-O 3.43Å; R262-L320 WeakPolarHBondContact CA-O 3.15Å; I263-L320 HydrophobicContact CD1-CD1 4.14Å; I263-L320 HydrophobicContact CG1-CB 3.99Å; I263-L320 HydrophobicContact CG1-CD1 3.94Å; I263-L320 HydrophobicContact CG1-CG 4.39Å; I263-L320 PolarHBondContact N-O 2.95Å; I263-L320 WeakPolarHBondContact O-CB 3.43Å; I263-L320 PolarHBondContact O-N 3.42Å; E265-L320 HydrophobicContact CB-CG 4.44Å; E265-L320 WeakPolarHBondContact OE2-CD2 3.22Å; D306-L320 HydrophobicContact CB-CD1 3.65Å; Y309-L320 HydrophobicContact CD1-CB 4.07Å; Y309-L320 HydrophobicContact CD1-CD1 4.46Å; Y309-L320 HydrophobicContact CD1-CD2 3.75Å; Y309-L320 HydrophobicContact CD1-CG 4.3Å; Y309-L320 HydrophobicContact CD2-CB 4.39Å; Y309-L320 HydrophobicContact CD2-CD1 4.24Å; Y309-L320 HydrophobicContact CE1-CB 3.69Å; Y309-L320 HydrophobicContact CE1-CD2 4.12Å; Y309-L320 HydrophobicContact CE1-CG 4.41Å; Y309-L320 HydrophobicContact CE2-CB 4.08Å; Y309-L320 HydrophobicContact CG-CB 4.38Å; Y309-L320 HydrophobicContact CG-CD1 4.11Å; Y309-L320 HydrophobicContact CG-CD2 4.17Å; Y309-L320 HydrophobicContact CG-CG 4.46Å; R313-L320 HydrophobicContact CB-CD2 4.24Å; R313-L320 HydrophobicContact CG-CD2 3.64Å
321	D	92.1	Very high	86.6	Confident	25 Å²	25	41.1 Å²	41.1	13%	0.134	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.7	-178	-164.9	26	0	0	0	113.8	R262 Y309 H312 I314 G323	R262-D321 HydrophobicContact CG-CB 4.42Å; R262-D321 IonicContact CZ-OD1 2.71Å; R262-D321 IonicContact CZ-OD2 2.71Å; R262-D321 IonicContact NE-OD1 2.7Å; R262-D321 PolarHBondContact NE-OD1 2.94Å; R262-D321 IonicContact NE-OD2 2.7Å; R262-D321 PolarHBondContact NE-OD2 3.17Å; R262-D321 VanDerWaalsContact NH2-CG 3.28Å; R262-D321 IonicContact NH2-OD1 3.13Å; R262-D321 PolarHBondContact NH2-OD1 3.25Å; R262-D321 VanDerWaalsContact NH2-OD1 3.12Å; R262-D321 IonicContact NH2-OD2 3.81Å; R262-D321 PolarHBondContact NH2-OD2 3.24Å; Y309-D321 VanDerWaalsContact OH-CA 3.24Å; Y309-D321 WeakPolarHBondContact OH-CA 3.09Å; Y309-D321 PolarHBondContact OH-N 2.68Å; Y309-D321 PolarHBondContact OH-O 2.92Å; H312-D321 PolarHBondContact N-O 2.89Å; H312-D321 PolarHBondContact O-N 3.16Å; I314-D321 HydrophobicContact CD1-CB 3.6Å; I314-D321 HydrophobicContact CG1-CB 4.28Å; D321-G323 PolarHBondContact O-N 2.91Å
322	G	90.5	Very high	86.3	Confident	12 Å²	12	41.9 Å²	41.9	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.9	28.2	174.1	0	0	0	0	0	115.9	R195 Y309	R195-G322 VanDerWaalsContact CZ-O 3.24Å; R195-G322 PolarHBondContact NH1-O 3.19Å; R195-G322 PolarHBondContact NH2-O 2.96Å; Y309-G322 PolarHBondContact OH-N 2.78Å
323	G	93.2	Very high	86.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	-177.9	179.7	0	0	0	0	0	115.3	E260 Y261 Y309 D310 D321	E260-G323 CarbonylContact C-O 3.51Å; E260-G323 VanDerWaalsContact CA-O 3.27Å; E260-G323 WeakPolarHBondContact CA-O 3.3Å; Y261-G323 PolarHBondContact N-O 3.38Å; Y309-G323 VanDerWaalsContact CE2-C 3.41Å; Y309-G323 WeakPolarHBondContact CE2-O 3.16Å; Y309-G323 WeakPolarHBondContact OH-CA 3.13Å; Y309-G323 PolarHBondContact OH-N 2.86Å; Y309-G323 PolarHBondContact OH-O 2.85Å; D310-G323 WeakPolarHBondContact OD1-CA 3.47Å; D321-G323 PolarHBondContact O-N 2.91Å
324	L	95	Very high	85.9	Confident	6 Å²	6	36.4 Å²	36.4	3%	0.031	22%	0.223	C	C	.	.			trans	-125.2	163.1	175.9	-63.5	178.3	0	0	0	110	I227 L258 Y261 Y309 D310	I227-L324 HydrophobicContact CB-CD1 4.28Å; I227-L324 HydrophobicContact CD1-CD1 3.92Å; I227-L324 HydrophobicContact CG2-CD1 4.08Å; L258-L324 HydrophobicContact CD2-CD2 3.67Å; L258-L324 HydrophobicContact CG-CD2 3.97Å; Y261-L324 HydrophobicContact CD1-CD2 3.61Å; Y261-L324 HydrophobicContact CE1-CB 4.43Å; Y261-L324 HydrophobicContact CE1-CD2 3.99Å; Y309-L324 CarbonylContact C-O 3.59Å; Y309-L324 WeakPolarHBondContact CA-O 3.25Å; D310-L324 PolarHBondContact N-O 2.73Å; D310-L324 PolarHBondContact OD1-N 3.46Å
325	G	92.9	Very high	85.8	Confident	9 Å²	9	37 Å²	37	9%	0.093	22%	0.221	C	C	.	.			trans	-173	-150.9	-174.8	0	0	0	0	0	112.1	Y261 L327 I328	Y261-G325 WeakPolarHBondContact OH-CA 3.47Å; Y261-G325 PolarHBondContact OH-N 2.67Å; Y261-G325 PolarHBondContact OH-O 2.92Å; G325-L327 PolarHBondContact O-N 2.82Å; G325-I328 PolarHBondContact O-N 3.12Å
326	C	91.8	Very high	86.2	Confident	12 Å²	12	37.5 Å²	37.5	8%	0.081	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	6.5	-159.1	-49.3	0	0	0	0	115.1	Y261 D306 C308 V360	Y261-C326 PolarHBondContact OH-N 2.91Å; D306-C326 PolarHBondContact OD1-N 2.92Å; D306-C326 PolarHBondContact OD1-SG 2.89Å; C308-C326 WeakPolarHBondContact CB-SG 3.34Å; C308-C326 PolarHBondContact N-SG 3.24Å; C308-C326 WeakPolarHBondContact SG-CA 3.46Å; C308-C326 WeakPolarHBondContact SG-CB 3.33Å; C308-C326 PolarHBondContact SG-N 3.11Å; C308-C326 CovalentContact SG-SG 2.04Å; C308-C326 PolarHBondContact SG-SG 3.09Å; C326-V360 HydrophobicContact CB-CG2 4.42Å
327	L	94.2	Very high	87.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.5	167.9	-68.2	176	0	0	0	113	Y261 I263 G325 V360 W362 F469 E471 I472	Y261-L327 HydrophobicContact CE1-CB 4.41Å; I263-L327 HydrophobicContact CD1-CD1 3.67Å; G325-L327 PolarHBondContact O-N 2.82Å; L327-V360 HydrophobicContact CD1-CB 4.45Å; L327-V360 HydrophobicContact CD2-CB 3.99Å; L327-V360 HydrophobicContact CD2-CG2 4.01Å; L327-V360 HydrophobicContact CG-CB 4.18Å; L327-V360 HydrophobicContact CG-CG2 3.92Å; L327-W362 HydrophobicContact CD1-CH2 4.29Å; L327-F469 HydrophobicContact CD2-CB 3.69Å; L327-E471 CarbonylContact O-C 3.52Å; L327-E471 VanDerWaalsContact O-CA 3.3Å; L327-E471 WeakPolarHBondContact O-CA 3.37Å; L327-I472 HydrophobicContact CD1-CD1 4.1Å; L327-I472 PolarHBondContact O-N 2.94Å
328	I	92.4	Very high	88.2	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.026	18%	0.179	C	C	.	.	S	Bend	trans	-137.1	22.1	-173.1	-33.5	-77	0	0	0	111.2	I227 F254 L258 Y261 G325 F382 I472	I227-I328 HydrophobicContact CD1-CG2 4.39Å; F254-I328 HydrophobicContact CE2-CG2 4.19Å; F254-I328 HydrophobicContact CZ-CG2 3.62Å; L258-I328 HydrophobicContact CD2-CD1 3.61Å; L258-I328 HydrophobicContact CD2-CG1 3.8Å; L258-I328 HydrophobicContact CD2-CG2 4.15Å; Y261-I328 HydrophobicContact CD1-CD1 4.34Å; Y261-I328 HydrophobicContact CD1-CG1 3.88Å; Y261-I328 HydrophobicContact CE1-CD1 4.36Å; Y261-I328 HydrophobicContact CE1-CG1 3.56Å; G325-I328 PolarHBondContact O-N 3.12Å; I328-F382 HydrophobicContact CD1-CE1 4.3Å; I328-I472 HydrophobicContact CD1-CB 4.21Å; I328-I472 VanDerWaalsContact CD1-O 3.25Å; I328-I472 WeakPolarHBondContact CD1-O 3.49Å
329	D	87.2	Confident	88.4	Confident	17 Å²	17	30.7 Å²	30.7	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-91.9	9.2	-170.5	73.4	-16.1	0	0	0	114.7	P225 N331	P225-D329 WeakPolarHBondContact CG-O 3.35Å; D329-N331 VanDerWaalsContact CG-CB 3.46Å; D329-N331 PolarHBondContact O-N 2.9Å; D329-N331 WeakPolarHBondContact OD1-CA 3.36Å; D329-N331 WeakPolarHBondContact OD1-CB 3.38Å; D329-N331 PolarHBondContact OD1-N 3.22Å; D329-N331 WeakPolarHBondContact OD2-CB 3.44Å
330	L	84.2	Confident	88	Confident	13 Å²	13	29.9 Å²	29.9	7%	0.068	17%	0.166	C	C	.	.	S	Bend	trans	62.9	14.9	-169.6	-49.5	-178.4	0	0	0	115.6	C91 I159 E471 R473	C91-L330 HydrophobicContact CB-CD1 4.23Å; I159-L330 HydrophobicContact CD1-CD1 3.76Å; I159-L330 HydrophobicContact CD1-CD2 3.71Å; I159-L330 HydrophobicContact CD1-CG 3.87Å; I159-L330 HydrophobicContact CG2-CD1 4.01Å; L330-E471 WeakPolarHBondContact CA-OE1 3.39Å; L330-E471 PolarHBondContact N-OE1 3.28Å; L330-R473 VanDerWaalsContact CD2-CZ 3.44Å
331	N	82.6	Confident	87.3	Confident	62 Å²	62	30.7 Å²	30.7	33%	0.332	17%	0.17	S	C	.	.			trans	-111.1	33.9	-172.6	-158.3	48.2	0	0	0	114.1	K88 D329 A333	K88-N331 PolarHBondContact NZ-OD1 3.17Å; D329-N331 VanDerWaalsContact CG-CB 3.46Å; D329-N331 PolarHBondContact O-N 2.9Å; D329-N331 WeakPolarHBondContact OD1-CA 3.36Å; D329-N331 WeakPolarHBondContact OD1-CB 3.38Å; D329-N331 PolarHBondContact OD1-N 3.22Å; D329-N331 WeakPolarHBondContact OD2-CB 3.44Å; N331-A333 PolarHBondContact O-N 2.81Å; N331-A333 VanDerWaalsContact O-N 3.14Å
332	S	83.1	Confident	86	Confident	34 Å²	34	38.3 Å²	38.3	24%	0.238	20%	0.197	C	C	.	.			trans	-42.4	119.9	172.8	66.4	0	0	0	0	112.8	E471	S332-E471 WeakPolarHBondContact CB-OE2 3.24Å; S332-E471 PolarHBondContact N-OE2 2.81Å
333	A	84.9	Confident	84.2	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	21%	0.21	C	C	.	.			trans	-53.1	140.2	175.7	0	0	0	0	0	112.5	N331 T337 Q358 F359 V441 S470	N331-A333 PolarHBondContact O-N 2.81Å; N331-A333 VanDerWaalsContact O-N 3.14Å; A333-T337 HydrophobicContact CB-CG2 4.1Å; A333-Q358 HydrophobicContact CB-CB 4.06Å; A333-F359 HydrophobicContact CB-CE1 3.92Å; A333-F359 HydrophobicContact CB-CE2 4.15Å; A333-F359 HydrophobicContact CB-CZ 3.57Å; A333-V441 HydrophobicContact CB-CG2 4.05Å; A333-S470 PolarHBondContact N-OG 3.27Å
334	N	84.9	Confident	81.5	Confident	81 Å²	81	46.3 Å²	46.3	43%	0.433	24%	0.237	S	C	.	.			trans	-61.4	155.6	177.1	-175.9	31	0	0	0	111.4	D336 T337 V441	N334-D336 PolarHBondContact ND2-OD2 2.97Å; N334-D336 PolarHBondContact O-N 3.2Å; N334-T337 PolarHBondContact N-OG1 3.19Å; N334-T337 WeakPolarHBondContact O-CB 3.44Å; N334-T337 PolarHBondContact O-N 2.86Å; N334-T337 PolarHBondContact O-OG1 3.42Å; N334-V441 VanDerWaalsContact O-CG2 3.28Å; N334-V441 WeakPolarHBondContact O-CG2 3.3Å
335	R	84.5	Confident	78.8	Confident	85 Å²	85	53 Å²	53	32%	0.321	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-37.7	-179.6	-61.1	-174.4	-168.9	-136.2	-5.4	112.5	I80 N82 T337 G440 V441	I80-R335 VanDerWaalsContact O-CZ 3.23Å; I80-R335 PolarHBondContact O-NH1 3.07Å; I80-R335 PolarHBondContact O-NH2 3.46Å; N82-R335 PolarHBondContact OD1-NE 3.21Å; N82-R335 PolarHBondContact OD1-NH2 2.92Å; R335-T337 VanDerWaalsContact C-N 3.28Å; R335-T337 PolarHBondContact O-N 3.38Å; R335-G440 CarbonylContact O-C 3.55Å; R335-G440 WeakPolarHBondContact O-CA 3.43Å; R335-V441 PolarHBondContact O-N 3.28Å
336	D	84.7	Confident	76	Confident	130 Å²	130	56 Å²	56	70%	0.695	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.9	-178	-42.6	-62.5	0	0	0	113	N334 I338	N334-D336 PolarHBondContact ND2-OD2 2.97Å; N334-D336 PolarHBondContact O-N 3.2Å; D336-I338 PolarHBondContact O-N 3.43Å
337	T	85.3	Confident	73.2	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.067	34%	0.337	C	S	.	.			trans	-69.6	110.1	175.4	-60.7	0	0	0	0	110	A333 N334 R335 P339 M355 F359 V441	A333-T337 HydrophobicContact CB-CG2 4.1Å; N334-T337 PolarHBondContact N-OG1 3.19Å; N334-T337 WeakPolarHBondContact O-CB 3.44Å; N334-T337 PolarHBondContact O-N 2.86Å; N334-T337 PolarHBondContact O-OG1 3.42Å; R335-T337 VanDerWaalsContact C-N 3.28Å; R335-T337 PolarHBondContact O-N 3.38Å; T337-P339 WeakPolarHBondContact O-CD 3.44Å; T337-M355 HydrophobicContact CG2-CE 3.72Å; T337-F359 HydrophobicContact CG2-CE2 3.57Å; T337-F359 HydrophobicContact CG2-CZ 3.67Å; T337-V441 WeakPolarHBondContact O-CG2 3.49Å
338	I	85.6	Confident	70.4	Confident	77 Å²	77	65.8 Å²	65.8	40%	0.395	37%	0.373	S	S	.	.			trans	-104.4	105.6	173.3	-60.2	176.4	0	0	0	108.2	D336 N400 L439	D336-I338 PolarHBondContact O-N 3.43Å; I338-N400 HydrophobicContact CG2-CB 4.09Å; I338-N400 WeakPolarHBondContact CG2-ND2 3.35Å; I338-L439 HydrophobicContact CD1-CB 4.13Å
339	P	85.4	Confident	67.5	Low	0 Å²	0	67.7 Å²	67.7	0%	0	39%	0.387	C	S	.	.			trans	-69.5	150.4	172.9	27.6	-31.9	0	0	0	110.9	F304 T337 F359 S398 N400 I405 L468	F304-P339 HydrophobicContact CE1-CB 3.97Å; F304-P339 HydrophobicContact CZ-CB 4.3Å; T337-P339 WeakPolarHBondContact O-CD 3.44Å; P339-F359 HydrophobicContact CB-CD2 3.83Å; P339-F359 HydrophobicContact CB-CE2 3.69Å; P339-F359 HydrophobicContact CB-CZ 4.35Å; P339-F359 HydrophobicContact CG-CD2 4.11Å; P339-F359 HydrophobicContact CG-CE1 4.37Å; P339-F359 HydrophobicContact CG-CE2 3.77Å; P339-F359 HydrophobicContact CG-CZ 3.91Å; P339-S398 VanDerWaalsContact CD-OG 3.27Å; P339-S398 WeakPolarHBondContact CD-OG 3.42Å; P339-S398 WeakPolarHBondContact CG-OG 3.41Å; P339-N400 PolarHBondContact O-ND2 3.39Å; P339-I405 HydrophobicContact CG-CD1 4.33Å; P339-L468 HydrophobicContact CB-CD1 3.95Å; P339-L468 HydrophobicContact CG-CD1 3.51Å
340	S	80.3	Confident	65.1	Low	43 Å²	43	75.8 Å²	75.8	30%	0.301	42%	0.421	S	S	.	.			trans	-121.9	127.9	175.8	-176.9	0	0	0	0	113.1	R342 N356 E403	S340-R342 VanDerWaalsContact C-N 3.34Å; S340-R342 PolarHBondContact OG-N 2.91Å; S340-N356 PolarHBondContact N-OD1 2.97Å; S340-N356 VanDerWaalsContact N-OD1 3.09Å; S340-N356 PolarHBondContact O-ND2 3.15Å; S340-N356 PolarHBondContact O-OD1 2.66Å; S340-E403 WeakPolarHBondContact CA-OE2 3.46Å; S340-E403 PolarHBondContact OG-OE1 3.48Å; S340-E403 PolarHBondContact OG-OE2 3.33Å
341	I	77.5	Confident	62.7	Low	17 Å²	17	78.2 Å²	78.2	9%	0.087	44%	0.443	C	S	.	.	S	Bend	trans	-71	-31.3	171.3	-76.4	152.3	0	0	0	111.3	A269 H270 F304 Q343 E403 I405 W466	A269-I341 HydrophobicContact CB-CG2 4.49Å; A269-I341 VanDerWaalsContact O-CG2 3.3Å; A269-I341 WeakPolarHBondContact O-CG2 3.39Å; H270-I341 PolarHBondContact CE1-O 3.45Å; H270-I341 VanDerWaalsContact CE1-O 3.3Å; F304-I341 HydrophobicContact CE2-CG1 3.98Å; F304-I341 HydrophobicContact CZ-CG1 4.39Å; I341-Q343 VanDerWaalsContact C-N 3.26Å; I341-Q343 PolarHBondContact O-N 2.75Å; I341-E403 HydrophobicContact CD1-CB 3.99Å; I341-E403 VanDerWaalsContact CD1-O 3.24Å; I341-E403 WeakPolarHBondContact CD1-O 3.35Å; I341-E403 PolarHBondContact N-OE2 2.67Å; I341-I405 HydrophobicContact CD1-CD1 3.54Å; I341-I405 HydrophobicContact CD1-CG1 3.56Å; I341-I405 HydrophobicContact CG1-CD1 4.11Å; I341-W466 HydrophobicContact CD1-CB 4.24Å; I341-W466 HydrophobicContact CD1-CD2 3.96Å; I341-W466 HydrophobicContact CD1-CG 3.59Å; I341-W466 HydrophobicContact CG1-CD2 4.33Å; I341-W466 HydrophobicContact CG1-CG 4.46Å
342	R	65.1	Low	60.7	Low	185 Å²	185	80.2 Å²	80.2	70%	0.698	45%	0.454	S	S	*	.			trans	-77.8	69	-175.1	-67	-175.5	177.5	-155.3	1.4	112.6	S340 T344	S340-R342 VanDerWaalsContact C-N 3.34Å; S340-R342 PolarHBondContact OG-N 2.91Å; R342-T344 PolarHBondContact O-N 3.21Å
343	Q	54.2	Low	59.2	Low	87 Å²	87	81.3 Å²	81.3	41%	0.407	46%	0.462	S	S	.	.			trans	-56.5	101.2	160.5	-72.5	-173.1	-40.5	0	0	110.3	H270 I341 V345	H270-Q343 PolarHBondContact CE1-N 3.08Å; H270-Q343 PolarHBondContact CE1-O 3.23Å; I341-Q343 VanDerWaalsContact C-N 3.26Å; I341-Q343 PolarHBondContact O-N 2.75Å; Q343-V345 PolarHBondContact O-N 3.4Å
344	T	36.3	Very low	57.9	Low	93 Å²	93	84.1 Å²	84.1	57%	0.571	48%	0.481	S	S	*	.			trans	-71	90	172.8	34.5	0	0	0	0	110.3	R342 G346 V347	R342-T344 PolarHBondContact O-N 3.21Å; T344-G346 PolarHBondContact O-N 3.22Å; T344-V347 PolarHBondContact O-N 2.85Å; T344-V347 PolarHBondContact OG1-O 3.23Å
345	V	38	Very low	57.1	Low	145 Å²	145	83.3 Å²	83.3	88%	0.879	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	97.8	170.8	-178	0	0	0	0	108.8	Q343	Q343-V345 PolarHBondContact O-N 3.4Å
346	G	33.7	Very low	56.8	Low	74 Å²	74	79.7 Å²	79.7	76%	0.763	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	132.5	-20.6	-175.6	0	0	0	0	0	115.2	T344	T344-G346 PolarHBondContact O-N 3.22Å
347	V	33.4	Very low	56.5	Low	109 Å²	109	77.3 Å²	77.3	66%	0.661	45%	0.447	S	S	*	.			trans	-138.1	66.8	177.9	-165.6	0	0	0	0	110.4	T344 S349	T344-V347 PolarHBondContact O-N 2.85Å; T344-V347 PolarHBondContact OG1-O 3.23Å; V347-S349 PolarHBondContact O-N 3.48Å
348	S	34.2	Very low	56.5	Low	107 Å²	107	79.7 Å²	79.7	75%	0.748	46%	0.457	S	S	*	.			trans	-81.3	88.8	170.4	43	0	0	0	0	110.5	K350	S348-K350 PolarHBondContact O-N 2.85Å
349	S	31.7	Very low	56.8	Low	46 Å²	46	76.1 Å²	76.1	32%	0.322	44%	0.439	S	S	.	.			trans	-56.6	135	151.6	106.1	0	0	0	0	107.3	V347 A351 D352	V347-S349 PolarHBondContact O-N 3.48Å; S349-A351 PolarHBondContact O-N 3.07Å; S349-A351 PolarHBondContact OG-N 3.48Å; S349-D352 VanDerWaalsContact CB-OD2 3.31Å; S349-D352 WeakPolarHBondContact CB-OD2 3.41Å; S349-D352 PolarHBondContact OG-N 2.94Å; S349-D352 PolarHBondContact OG-OD2 3.2Å
350	K	36.6	Very low	57.2	Low	187 Å²	187	76.2 Å²	76.2	81%	0.813	44%	0.439	S	S	*	.	H	α-helix	trans	-62	-26.5	177.9	-80.9	-176	174.8	177.8	0	111.5	S348 S353	S348-K350 PolarHBondContact O-N 2.85Å; K350-S353 PolarHBondContact O-OG 3.3Å
351	A	35	Very low	57.8	Low	64 Å²	64	74.1 Å²	74.1	53%	0.529	43%	0.425	S	S	.	.	H	α-helix	trans	-63.3	-54.4	179.6	0	0	0	0	0	112.3	S349 S353 S354	S349-A351 PolarHBondContact O-N 3.07Å; S349-A351 PolarHBondContact OG-N 3.48Å; A351-S353 VanDerWaalsContact C-N 3.27Å; A351-S353 PolarHBondContact O-N 3.4Å; A351-S354 WeakPolarHBondContact O-CB 3.49Å; A351-S354 PolarHBondContact O-N 2.64Å; A351-S354 PolarHBondContact O-OG 3.15Å
352	D	40.9	Very low	58.5	Low	104 Å²	104	73.3 Å²	73.3	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-61	-37.4	-173.9	-60	-59.7	0	0	0	112.2	S349 S354	S349-D352 VanDerWaalsContact CB-OD2 3.31Å; S349-D352 WeakPolarHBondContact CB-OD2 3.41Å; S349-D352 PolarHBondContact OG-N 2.94Å; S349-D352 PolarHBondContact OG-OD2 3.2Å; D352-S354 PolarHBondContact O-N 2.75Å
353	S	50.3	Low	59.7	Low	57 Å²	57	64.9 Å²	64.9	40%	0.399	39%	0.389	S	S	.	.	H	α-helix	trans	-61.3	-26.7	176.8	75	0	0	0	0	113.5	K350 A351 H357	K350-S353 PolarHBondContact O-OG 3.3Å; A351-S353 VanDerWaalsContact C-N 3.27Å; A351-S353 PolarHBondContact O-N 3.4Å; S353-H357 PolarHBondContact O-CE1 3.13Å; S353-H357 VanDerWaalsContact O-CE1 3.23Å; S353-H357 PolarHBondContact O-ND1 3.38Å
354	S	58.1	Low	61.4	Low	64 Å²	64	62.7 Å²	62.7	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-75.1	-31.6	-173.3	74	0	0	0	0	113.5	A351 D352 H357	A351-S354 WeakPolarHBondContact O-CB 3.49Å; A351-S354 PolarHBondContact O-N 2.64Å; A351-S354 PolarHBondContact O-OG 3.15Å; D352-S354 PolarHBondContact O-N 2.75Å; S354-H357 PolarHBondContact O-N 3.18Å
355	M	68.5	Low	63.6	Low	64 Å²	64	60.9 Å²	60.9	32%	0.315	36%	0.364	S	S	.	.	H	α-helix	trans	-75.5	-33.7	-170.8	-64.5	-179.9	68.9	0	0	112.8	T337 H357 Q358	T337-M355 HydrophobicContact CG2-CE 3.72Å; M355-H357 PolarHBondContact O-N 3.11Å; M355-Q358 WeakPolarHBondContact O-CB 3.03Å; M355-Q358 PolarHBondContact O-N 3.4Å; M355-Q358 VanDerWaalsContact O-N 3.13Å
356	N	78.5	Confident	65.5	Low	10 Å²	10	57.6 Å²	57.6	5%	0.053	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-66.6	-17.9	178	-73.2	-6.9	0	0	0	113.9	P303 F304 S340 Q358	P303-N356 HydrophobicContact CB-CB 4.38Å; F304-N356 HydrophobicContact CD1-CB 4.17Å; F304-N356 HydrophobicContact CE1-CB 3.68Å; F304-N356 HydrophobicContact CZ-CB 4.27Å; S340-N356 PolarHBondContact N-OD1 2.97Å; S340-N356 VanDerWaalsContact N-OD1 3.09Å; S340-N356 PolarHBondContact O-ND2 3.15Å; S340-N356 PolarHBondContact O-OD1 2.66Å; N356-Q358 PolarHBondContact O-N 3.21Å
357	H	78.2	Confident	67.6	Low	80 Å²	80	55.9 Å²	55.9	37%	0.37	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-75.1	-8.4	175.5	-66.5	85.4	0	0	0	112.9	S353 S354 M355 F359	S353-H357 PolarHBondContact O-CE1 3.13Å; S353-H357 VanDerWaalsContact O-CE1 3.23Å; S353-H357 PolarHBondContact O-ND1 3.38Å; S354-H357 PolarHBondContact O-N 3.18Å; M355-H357 PolarHBondContact O-N 3.11Å; H357-F359 VanDerWaalsContact C-N 3.27Å
358	Q	85	Confident	69.2	Low	60 Å²	60	55.7 Å²	55.7	28%	0.28	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-86.3	8.1	175.1	-55.3	177.1	12.6	0	0	113.1	A333 M355 N356 S470	A333-Q358 HydrophobicContact CB-CB 4.06Å; M355-Q358 WeakPolarHBondContact O-CB 3.03Å; M355-Q358 PolarHBondContact O-N 3.4Å; M355-Q358 VanDerWaalsContact O-N 3.13Å; N356-Q358 PolarHBondContact O-N 3.21Å; Q358-S470 WeakPolarHBondContact O-CA 3.26Å; Q358-S470 WeakPolarHBondContact O-CB 3.42Å
359	F	91.4	Very high	70.2	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.013	30%	0.297	C	S	.	.			trans	-138.5	139.4	-176.5	-59.1	-88	0	0	0	111.5	F304 A333 T337 P339 H357 V441 L468 F469	F304-F359 WeakPolarHBondContact CA-O 3.42Å; F304-F359 HydrophobicContact CD1-CB 4.08Å; A333-F359 HydrophobicContact CB-CE1 3.92Å; A333-F359 HydrophobicContact CB-CE2 4.15Å; A333-F359 HydrophobicContact CB-CZ 3.57Å; T337-F359 HydrophobicContact CG2-CE2 3.57Å; T337-F359 HydrophobicContact CG2-CZ 3.67Å; P339-F359 HydrophobicContact CB-CD2 3.83Å; P339-F359 HydrophobicContact CB-CE2 3.69Å; P339-F359 HydrophobicContact CB-CZ 4.35Å; P339-F359 HydrophobicContact CG-CD2 4.11Å; P339-F359 HydrophobicContact CG-CE1 4.37Å; P339-F359 HydrophobicContact CG-CE2 3.77Å; P339-F359 HydrophobicContact CG-CZ 3.91Å; H357-F359 VanDerWaalsContact C-N 3.27Å; F359-V441 HydrophobicContact CE1-CG2 3.83Å; F359-V441 HydrophobicContact CZ-CG2 3.75Å; F359-L468 HydrophobicContact CB-CB 4.39Å; F359-L468 HydrophobicContact CD1-CB 4.22Å; F359-F469 CarbonylContact C-O 3.58Å; F359-F469 VanDerWaalsContact CA-O 3.22Å; F359-F469 WeakPolarHBondContact CA-O 3.25Å
360	V	93.4	Very high	71.5	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.5	160.9	-171.7	0	0	0	0	107.8	D306 C326 L327 W362 F469	D306-V360 HydrophobicContact CB-CG1 4.13Å; D306-V360 HydrophobicContact CB-CG2 3.83Å; C326-V360 HydrophobicContact CB-CG2 4.42Å; L327-V360 HydrophobicContact CD1-CB 4.45Å; L327-V360 HydrophobicContact CD2-CB 3.99Å; L327-V360 HydrophobicContact CD2-CG2 4.01Å; L327-V360 HydrophobicContact CG-CB 4.18Å; L327-V360 HydrophobicContact CG-CG2 3.92Å; V360-W362 HydrophobicContact CB-CH2 4.3Å; V360-W362 HydrophobicContact CG1-CH2 3.93Å; V360-W362 HydrophobicContact CG1-CZ2 3.69Å; V360-F469 PolarHBondContact N-O 3.15Å; V360-F469 PolarHBondContact O-N 2.04Å
361	G	93.4	Very high	71.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146.9	-162.9	0	0	0	0	0	116.1	G266 S267 F304 L467 L468	G266-G361 CarbonylContact C-O 3.53Å; G266-G361 VanDerWaalsContact CA-O 3.31Å; G266-G361 WeakPolarHBondContact CA-O 3.48Å; S267-G361 PolarHBondContact N-O 3.45Å; F304-G361 PolarHBondContact O-N 3.09Å; G361-L467 WeakPolarHBondContact CA-O 3.22Å; G361-L468 VanDerWaalsContact CA-CD2 3.44Å
362	W	92.3	Very high	72.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.9	-175	-54.9	-84.3	0	0	0	112.2	I263 P264 E265 L327 V360 W367 V378 M380 F462 W466 L467 F469	I263-W362 HydrophobicContact CD1-CZ2 4.16Å; P264-W362 PolarHBondContact O-NE1 2.88Å; E265-W362 PolarHBondContact O-NE1 2.83Å; L327-W362 HydrophobicContact CD1-CH2 4.29Å; V360-W362 HydrophobicContact CB-CH2 4.3Å; V360-W362 HydrophobicContact CG1-CH2 3.93Å; V360-W362 HydrophobicContact CG1-CZ2 3.69Å; W362-W367 HydrophobicContact CB-CH2 3.82Å; W362-W367 HydrophobicContact CB-CZ3 3.91Å; W362-W367 AromaticContact CD1-CH2 3.92Å; W362-W367 AromaticContact CG-CH2 4Å; W362-W367 HydrophobicContact CG-CH2 4Å; W362-V378 HydrophobicContact CB-CG2 4.06Å; W362-V378 HydrophobicContact CD2-CG1 3.86Å; W362-V378 HydrophobicContact CD2-CG2 4.12Å; W362-V378 HydrophobicContact CE3-CG1 4.12Å; W362-V378 HydrophobicContact CE3-CG2 4.18Å; W362-V378 HydrophobicContact CG-CG1 4.3Å; W362-V378 HydrophobicContact CG-CG2 4.08Å; W362-V378 HydrophobicContact CZ2-CG1 4.3Å; W362-V378 HydrophobicContact CZ3-CG1 4.45Å; W362-M380 HydrophobicContact CE3-CE 4.35Å; W362-M380 HydrophobicContact CH2-CE 3.4Å; W362-M380 HydrophobicContact CZ2-CE 4.11Å; W362-M380 HydrophobicContact CZ3-CE 3.54Å; W362-F462 HydrophobicContact CB-CE1 4.45Å; W362-F462 HydrophobicContact CB-CZ 3.87Å; W362-F462 WeakPolarHBondContact O-CE1 3.27Å; W362-W466 VanDerWaalsContact O-CE3 3.23Å; W362-L467 PolarHBondContact N-O 2.95Å; W362-L467 PolarHBondContact O-N 2.8Å; W362-L467 VanDerWaalsContact O-N 3.11Å; W362-F469 HydrophobicContact CZ3-CB 4.46Å; W362-F469 AromaticContact CZ3-CD2 3.78Å; W362-F469 HydrophobicContact CZ3-CD2 3.78Å; W362-F469 HydrophobicContact CZ3-CE2 4.37Å; W362-F469 HydrophobicContact CZ3-CG 4.4Å
363	H	90.5	Very high	73.2	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.7	173.5	-169.5	-127.1	0	0	0	110.4	P271 D365 R366 W367 D465 W466	P271-H363 WeakPolarHBondContact CG-ND1 3.48Å; H363-D365 IonicContact CE1-OD1 3.91Å; H363-D365 IonicContact CE1-OD2 2.76Å; H363-D365 PolarHBondContact CE1-OD2 2.85Å; H363-D365 WeakPolarHBondContact ND1-CB 3.44Å; H363-D365 IonicContact ND1-OD2 2.72Å; H363-D365 PolarHBondContact O-N 3.18Å; H363-D365 VanDerWaalsContact O-N 3.11Å; H363-R366 PolarHBondContact O-N 3.17Å; H363-R366 VanDerWaalsContact O-N 3.17Å; H363-W367 WeakPolarHBondContact O-CZ3 3.43Å; H363-D465 PolarHBondContact CD2-O 3.03Å; H363-W466 HydrophobicContact CB-CD2 4.16Å; H363-W466 HydrophobicContact CB-CE3 4.24Å; H363-W466 HydrophobicContact CB-CH2 3.81Å; H363-W466 HydrophobicContact CB-CZ2 3.7Å; H363-W466 HydrophobicContact CB-CZ3 4.09Å; H363-W466 AromaticContact CD2-CD1 3.52Å; H363-W466 AromaticContact CD2-CD2 3.86Å; H363-W466 AromaticContact CD2-CE2 3.4Å; H363-W466 AromaticContact CD2-CG 3.92Å; H363-W466 AromaticContact CD2-CZ2 3.92Å; H363-W466 AromaticContact CD2-NE1 3.18Å; H363-W466 PolarHBondContact CD2-NE1 2.96Å; H363-W466 AromaticContact CG-CE2 3.84Å; H363-W466 AromaticContact CG-CZ2 3.91Å; H363-W466 AromaticContact NE2-NE1 3.72Å
364	R	89.1	Confident	73.5	Confident	41 Å²	41	66.6 Å²	66.6	16%	0.155	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-54	-33.8	-176.7	-168.9	-167.5	-70.8	-110.1	4.3	113.1	R366 W367 D376 F462 D464 D465	R364-R366 PolarHBondContact O-N 3.03Å; R364-W367 PolarHBondContact O-N 2.89Å; R364-D376 WeakPolarHBondContact CD-OD2 3.48Å; R364-D376 WeakPolarHBondContact CG-OD1 3.49Å; R364-D376 IonicContact CZ-OD2 3.36Å; R364-D376 IonicContact NE-OD2 2.74Å; R364-D376 IonicContact NH1-OD2 3.12Å; R364-D376 PolarHBondContact NH1-OD2 3.25Å; R364-F462 HydrophobicContact CB-CD1 4.09Å; R364-F462 HydrophobicContact CB-CE1 4.31Å; R364-F462 HydrophobicContact CB-CG 4.26Å; R364-F462 HydrophobicContact CG-CB 4.39Å; R364-F462 HydrophobicContact CG-CD2 4.45Å; R364-F462 HydrophobicContact CG-CG 4.25Å; R364-F462 VanDerWaalsContact CZ-CB 3.43Å; R364-F462 PolarHBondContact NH2-O 3.09Å; R364-D464 VanDerWaalsContact CZ-O 3.28Å; R364-D464 PolarHBondContact NE-O 2.71Å; R364-D464 PolarHBondContact NH2-O 2.83Å; R364-D465 PolarHBondContact N-O 2.91Å
365	D	82.9	Confident	73.8	Confident	54 Å²	54	66.2 Å²	66.2	29%	0.289	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.8	-26.4	-179.3	-72.6	-0.5	0	0	0	114.3	H363 W367 K368	H363-D365 IonicContact CE1-OD1 3.91Å; H363-D365 IonicContact CE1-OD2 2.76Å; H363-D365 PolarHBondContact CE1-OD2 2.85Å; H363-D365 WeakPolarHBondContact ND1-CB 3.44Å; H363-D365 IonicContact ND1-OD2 2.72Å; H363-D365 PolarHBondContact O-N 3.18Å; H363-D365 VanDerWaalsContact O-N 3.11Å; D365-W367 PolarHBondContact O-N 2.72Å; D365-K368 PolarHBondContact O-N 2.89Å; D365-K368 VanDerWaalsContact OD1-CD 3.3Å; D365-K368 WeakPolarHBondContact OD1-CD 3.47Å; D365-K368 VanDerWaalsContact OD1-CE 3.24Å; D365-K368 WeakPolarHBondContact OD1-CE 3.32Å; D365-K368 IonicContact OD1-NZ 2.91Å; D365-K368 PolarHBondContact OD1-NZ 2.91Å
366	R	77.7	Confident	74.5	Confident	76 Å²	76	65.4 Å²	65.4	29%	0.287	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-55.4	-35.6	176.2	178.9	-176.1	-66.6	-130.6	4.8	111.7	E265 G266 S267 H363 R364 S369	E265-R366 PolarHBondContact O-NH1 2.77Å; E265-R366 PolarHBondContact O-NH2 3.35Å; G266-R366 PolarHBondContact O-NH2 3.47Å; S267-R366 PolarHBondContact OG-NE 2.7Å; S267-R366 PolarHBondContact OG-NH2 3.25Å; H363-R366 PolarHBondContact O-N 3.17Å; H363-R366 VanDerWaalsContact O-N 3.17Å; R364-R366 PolarHBondContact O-N 3.03Å; R366-S369 PolarHBondContact O-OG 2.93Å
367	W	77.6	Confident	75.1	Confident	38 Å²	38	65.5 Å²	65.5	14%	0.144	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-23.4	-177.8	-68.1	-94.5	0	0	0	114.5	P264 W362 H363 R364 D365 S369 S370 N375 V377 V378 F462	P264-W367 HydrophobicContact CB-CZ2 4.36Å; P264-W367 HydrophobicContact CG-CZ2 4.03Å; W362-W367 HydrophobicContact CB-CH2 3.82Å; W362-W367 HydrophobicContact CB-CZ3 3.91Å; W362-W367 AromaticContact CD1-CH2 3.92Å; W362-W367 AromaticContact CG-CH2 4Å; W362-W367 HydrophobicContact CG-CH2 4Å; H363-W367 WeakPolarHBondContact O-CZ3 3.43Å; R364-W367 PolarHBondContact O-N 2.89Å; D365-W367 PolarHBondContact O-N 2.72Å; W367-S369 PolarHBondContact O-N 3.29Å; W367-S370 PolarHBondContact O-N 3.3Å; W367-S370 PolarHBondContact O-OG 3.3Å; W367-N375 HydrophobicContact CB-CB 4.39Å; W367-N375 WeakPolarHBondContact CB-O 3.19Å; W367-V377 PolarHBondContact NE1-O 3.36Å; W367-V378 HydrophobicContact CH2-CG2 3.79Å; W367-V378 HydrophobicContact CZ2-CG2 4.2Å; W367-V378 HydrophobicContact CZ3-CG2 4.4Å; W367-F462 HydrophobicContact CD2-CE2 4.43Å; W367-F462 AromaticContact CE3-CE2 3.73Å; W367-F462 HydrophobicContact CE3-CE2 3.73Å; W367-F462 HydrophobicContact CE3-CZ 4.01Å; W367-F462 HydrophobicContact CH2-CE2 4.16Å; W367-F462 HydrophobicContact CH2-CZ 4.16Å; W367-F462 AromaticContact CZ3-CE2 3.6Å; W367-F462 HydrophobicContact CZ3-CE2 3.6Å; W367-F462 AromaticContact CZ3-CZ 3.51Å; W367-F462 HydrophobicContact CZ3-CZ 3.51Å
368	K	67.4	Low	75.8	Confident	106 Å²	106	61.7 Å²	61.7	46%	0.461	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.2	179.1	-63.7	-178.7	-167.3	162.9	0	114.4	D365 D465	D365-K368 PolarHBondContact O-N 2.89Å; D365-K368 VanDerWaalsContact OD1-CD 3.3Å; D365-K368 WeakPolarHBondContact OD1-CD 3.47Å; D365-K368 VanDerWaalsContact OD1-CE 3.24Å; D365-K368 WeakPolarHBondContact OD1-CE 3.32Å; D365-K368 IonicContact OD1-NZ 2.91Å; D365-K368 PolarHBondContact OD1-NZ 2.91Å; K368-D465 IonicContact NZ-OD1 3.35Å; K368-D465 PolarHBondContact NZ-OD1 3.22Å
369	S	55.6	Low	76.1	Confident	109 Å²	109	61.5 Å²	61.5	76%	0.762	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-20.4	174.1	63.2	0	0	0	0	113.9	R366 W367	R366-S369 PolarHBondContact O-OG 2.93Å; W367-S369 PolarHBondContact O-N 3.29Å
370	S	58.9	Low	76.3	Confident	45 Å²	45	61.4 Å²	61.4	32%	0.315	31%	0.308	S	S	.	.	S	Bend	trans	-87.7	142.2	177	70.6	0	0	0	0	111	W367 D372 N375	W367-S370 PolarHBondContact O-N 3.3Å; W367-S370 PolarHBondContact O-OG 3.3Å; S370-D372 PolarHBondContact O-N 2.92Å; S370-N375 WeakPolarHBondContact CB-ND2 3.17Å; S370-N375 WeakPolarHBondContact OG-CB 3.3Å; S370-N375 PolarHBondContact OG-ND2 2.9Å
371	Q	45.1	Very low	76.4	Confident	202 Å²	202	63.6 Å²	63.6	94%	0.944	32%	0.32	S	S	*	.	S	Bend	trans	-77.9	-5.9	-176.8	-72.7	-174.5	-41.2	0	0	114.2
372	D	53.3	Low	76.6	Confident	111 Å²	111	63.7 Å²	63.7	59%	0.594	32%	0.32	S	S	*	.			trans	-84.8	120	178	-109.8	-41.9	0	0	0	111	S370 D374 N375	S370-D372 PolarHBondContact O-N 2.92Å; D372-D374 PolarHBondContact O-N 2.89Å; D372-N375 VanDerWaalsContact CB-ND2 3.31Å; D372-N375 WeakPolarHBondContact CB-ND2 3.43Å; D372-N375 WeakPolarHBondContact O-CB 3.4Å; D372-N375 PolarHBondContact O-N 3.25Å
373	K	50.7	Low	76.7	Confident	197 Å²	197	66.5 Å²	66.5	86%	0.857	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-70	-18.5	-177.7	-73.7	-175	176	179.9	0	114.1	N375	K373-N375 VanDerWaalsContact C-N 3.25Å; K373-N375 PolarHBondContact O-N 2.83Å
374	D	56	Low	76.9	Confident	130 Å²	130	66.1 Å²	66.1	70%	0.695	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-82	-3.1	178.6	-70.4	-21.6	0	0	0	113.1	D372 D376 V377	D372-D374 PolarHBondContact O-N 2.89Å; D374-D376 VanDerWaalsContact C-N 3.31Å; D374-D376 PolarHBondContact O-N 3.24Å; D374-V377 WeakPolarHBondContact O-CG1 3.47Å
375	N	64.8	Low	77	Confident	55 Å²	55	66.1 Å²	66.1	29%	0.294	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-79.6	1.6	-178.1	-74.6	-19.3	0	0	0	115.1	W367 S370 D372 K373 V377	W367-N375 HydrophobicContact CB-CB 4.39Å; W367-N375 WeakPolarHBondContact CB-O 3.19Å; S370-N375 WeakPolarHBondContact CB-ND2 3.17Å; S370-N375 WeakPolarHBondContact OG-CB 3.3Å; S370-N375 PolarHBondContact OG-ND2 2.9Å; D372-N375 VanDerWaalsContact CB-ND2 3.31Å; D372-N375 WeakPolarHBondContact CB-ND2 3.43Å; D372-N375 WeakPolarHBondContact O-CB 3.4Å; D372-N375 PolarHBondContact O-N 3.25Å; K373-N375 VanDerWaalsContact C-N 3.25Å; K373-N375 PolarHBondContact O-N 2.83Å; N375-V377 PolarHBondContact O-N 2.84Å
376	D	82.9	Confident	77.4	Confident	48 Å²	48	64.5 Å²	64.5	26%	0.257	33%	0.33	S	S	.	.			trans	-73	53.7	172.1	-91.9	0.2	0	0	0	111.9	R364 D374 F462	R364-D376 WeakPolarHBondContact CD-OD2 3.48Å; R364-D376 WeakPolarHBondContact CG-OD1 3.49Å; R364-D376 IonicContact CZ-OD2 3.36Å; R364-D376 IonicContact NE-OD2 2.74Å; R364-D376 IonicContact NH1-OD2 3.12Å; R364-D376 PolarHBondContact NH1-OD2 3.25Å; D374-D376 VanDerWaalsContact C-N 3.31Å; D374-D376 PolarHBondContact O-N 3.24Å; D376-F462 PolarHBondContact O-N 2.63Å; D376-F462 VanDerWaalsContact O-N 3.16Å
377	V	90.6	Very high	78.1	Confident	12 Å²	12	62.3 Å²	62.3	7%	0.073	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	130.3	-172	64.9	0	0	0	0	111.5	W367 D374 N375 K459 A460 F461	W367-V377 PolarHBondContact NE1-O 3.36Å; D374-V377 WeakPolarHBondContact O-CG1 3.47Å; N375-V377 PolarHBondContact O-N 2.84Å; V377-K459 HydrophobicContact CG2-CB 3.73Å; V377-K459 HydrophobicContact CG2-CG 4.15Å; V377-A460 WeakPolarHBondContact CA-O 3.25Å; V377-F461 HydrophobicContact CB-CD1 3.75Å; V377-F461 HydrophobicContact CB-CE1 3.77Å; V377-F461 HydrophobicContact CB-CG 4.35Å; V377-F461 HydrophobicContact CB-CZ 4.39Å; V377-F461 HydrophobicContact CG1-CE1 4.41Å; V377-F461 HydrophobicContact CG2-CD1 3.8Å; V377-F461 HydrophobicContact CG2-CD2 4.13Å; V377-F461 HydrophobicContact CG2-CE1 3.68Å; V377-F461 HydrophobicContact CG2-CE2 4.03Å; V377-F461 HydrophobicContact CG2-CG 4.03Å; V377-F461 HydrophobicContact CG2-CZ 3.79Å
378	V	93.3	Very high	78.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.4	165.5	-169.3	0	0	0	0	107.7	P264 W362 W367 M380 K459 A460 F462 L467	P264-V378 HydrophobicContact CG-CG1 4.23Å; W362-V378 HydrophobicContact CB-CG2 4.06Å; W362-V378 HydrophobicContact CD2-CG1 3.86Å; W362-V378 HydrophobicContact CD2-CG2 4.12Å; W362-V378 HydrophobicContact CE3-CG1 4.12Å; W362-V378 HydrophobicContact CE3-CG2 4.18Å; W362-V378 HydrophobicContact CG-CG1 4.3Å; W362-V378 HydrophobicContact CG-CG2 4.08Å; W362-V378 HydrophobicContact CZ2-CG1 4.3Å; W362-V378 HydrophobicContact CZ3-CG1 4.45Å; W367-V378 HydrophobicContact CH2-CG2 3.79Å; W367-V378 HydrophobicContact CZ2-CG2 4.2Å; W367-V378 HydrophobicContact CZ3-CG2 4.4Å; V378-M380 HydrophobicContact CB-CE 4.22Å; V378-M380 HydrophobicContact CG1-CE 3.56Å; V378-M380 HydrophobicContact CG1-CG 4.19Å; V378-K459 WeakPolarHBondContact O-CA 3.48Å; V378-A460 PolarHBondContact N-O 2.97Å; V378-A460 PolarHBondContact O-N 2.85Å; V378-F462 HydrophobicContact CG2-CD2 4.44Å; V378-F462 HydrophobicContact CG2-CE2 3.49Å; V378-F462 VanDerWaalsContact CG2-CE2 3.49Å; V378-F462 HydrophobicContact CG2-CZ 3.57Å; V378-L467 HydrophobicContact CG2-CD2 3.84Å
379	D	91.8	Very high	80	Confident	56 Å²	56	57.8 Å²	57.8	30%	0.299	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.6	-179.8	-161.1	-5.9	0	0	0	109.5	P264 Q457 K459	P264-D379 WeakPolarHBondContact CD-O 2.97Å; D379-Q457 VanDerWaalsContact CG-NE2 3.33Å; D379-Q457 WeakPolarHBondContact OD1-CG 3.36Å; D379-Q457 PolarHBondContact OD1-NE2 2.89Å; D379-Q457 PolarHBondContact OD2-NE2 3.26Å; D379-K459 HydrophobicContact CB-CG 4.46Å; D379-K459 VanDerWaalsContact CG-NZ 3.34Å; D379-K459 IonicContact OD1-NZ 3.66Å; D379-K459 IonicContact OD2-NZ 2.66Å; D379-K459 PolarHBondContact OD2-NZ 3.12Å
380	M	95.5	Very high	81.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	133.7	-173.6	-54.8	-179.9	-172.6	0	0	109.8	I263 W362 V378 F382 Q457 L458 F469 I472	I263-M380 HydrophobicContact CB-CG 4.47Å; I263-M380 HydrophobicContact CG2-CB 3.76Å; I263-M380 HydrophobicContact CG2-CG 3.72Å; I263-M380 HydrophobicContact CG2-SD 4.34Å; W362-M380 HydrophobicContact CE3-CE 4.35Å; W362-M380 HydrophobicContact CH2-CE 3.4Å; W362-M380 HydrophobicContact CZ2-CE 4.11Å; W362-M380 HydrophobicContact CZ3-CE 3.54Å; V378-M380 HydrophobicContact CB-CE 4.22Å; V378-M380 HydrophobicContact CG1-CE 3.56Å; V378-M380 HydrophobicContact CG1-CG 4.19Å; M380-F382 HydrophobicContact CB-CD2 4.45Å; M380-F382 HydrophobicContact CB-CE2 3.59Å; M380-F382 HydrophobicContact CB-CZ 4.07Å; M380-F382 HydrophobicContact SD-CE2 4.43Å; M380-F382 HydrophobicContact SD-CZ 4.22Å; M380-Q457 CarbonylContact O-C 3.55Å; M380-Q457 WeakPolarHBondContact O-CA 3.32Å; M380-L458 HydrophobicContact CB-CB 4.35Å; M380-L458 PolarHBondContact N-O 2.88Å; M380-L458 PolarHBondContact O-N 3.16Å; M380-L458 HydrophobicContact SD-CD2 4.18Å; M380-F469 HydrophobicContact CE-CD2 4.49Å; M380-F469 HydrophobicContact CE-CE2 4.22Å; M380-F469 HydrophobicContact CE-CZ 4.35Å; M380-I472 HydrophobicContact SD-CD1 3.99Å
381	L	95.2	Very high	83.6	Confident	48 Å²	48	51.8 Å²	51.8	25%	0.251	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.5	176	-66.1	174	0	0	0	110.3	Y261 R262 F422 V456 Q457	Y261-L381 CarbonylContact C-O 3.52Å; Y261-L381 WeakPolarHBondContact CA-O 3.22Å; Y261-L381 WeakPolarHBondContact CB-O 3.08Å; R262-L381 HydrophobicContact CB-CB 4.29Å; R262-L381 PolarHBondContact N-O 3.37Å; R262-L381 PolarHBondContact O-N 2.88Å; L381-F422 HydrophobicContact CD2-CE1 4.39Å; L381-F422 HydrophobicContact CD2-CZ 3.72Å; L381-V456 WeakPolarHBondContact CA-O 3.27Å; L381-Q457 HydrophobicContact CD2-CB 3.6Å; L381-Q457 HydrophobicContact CD2-CG 3.77Å
382	F	96.6	Very high	86	Confident	1 Å²	1	47 Å²	47	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.4	-177.6	-64.3	-88.9	0	0	0	109.1	L258 Y261 I328 M380 F384 V455 V456 L458 I472 F474	L258-F382 HydrophobicContact CD1-CB 3.75Å; L258-F382 HydrophobicContact CD1-CD1 4.11Å; L258-F382 HydrophobicContact CD1-CG 4.44Å; L258-F382 HydrophobicContact CD2-CD1 4.16Å; Y261-F382 HydrophobicContact CD1-CE1 4.32Å; Y261-F382 HydrophobicContact CG-CE1 4.29Å; I328-F382 HydrophobicContact CD1-CE1 4.3Å; M380-F382 HydrophobicContact CB-CD2 4.45Å; M380-F382 HydrophobicContact CB-CE2 3.59Å; M380-F382 HydrophobicContact CB-CZ 4.07Å; M380-F382 HydrophobicContact SD-CE2 4.43Å; M380-F382 HydrophobicContact SD-CZ 4.22Å; F382-F384 HydrophobicContact CB-CE2 3.92Å; F382-F384 HydrophobicContact CB-CZ 4.35Å; F382-V455 CarbonylContact O-C 3.54Å; F382-V455 VanDerWaalsContact O-CA 3.26Å; F382-V455 WeakPolarHBondContact O-CA 3.36Å; F382-V456 HydrophobicContact CB-CB 4.43Å; F382-V456 PolarHBondContact N-O 3.35Å; F382-V456 PolarHBondContact O-N 3.47Å; F382-L458 HydrophobicContact CE2-CB 4.02Å; F382-L458 HydrophobicContact CE2-CD2 4.34Å; F382-I472 HydrophobicContact CE1-CG2 4.17Å; F382-I472 HydrophobicContact CZ-CD1 3.86Å; F382-I472 HydrophobicContact CZ-CG2 4.03Å; F382-F474 HydrophobicContact CB-CE2 4.45Å; F382-F474 HydrophobicContact CB-CZ 4.15Å; F382-F474 AromaticContact CD1-CE2 3.77Å; F382-F474 HydrophobicContact CD1-CE2 3.77Å; F382-F474 AromaticContact CD1-CZ 3.89Å; F382-F474 HydrophobicContact CD1-CZ 3.89Å; F382-F474 HydrophobicContact CD2-CE2 4.48Å; F382-F474 AromaticContact CD2-CZ 3.77Å; F382-F474 HydrophobicContact CD2-CZ 3.77Å; F382-F474 HydrophobicContact CE1-CE2 4.12Å; F382-F474 HydrophobicContact CE1-CZ 4.25Å; F382-F474 HydrophobicContact CE2-CZ 4.12Å; F382-F474 AromaticContact CG-CE2 3.98Å; F382-F474 HydrophobicContact CG-CE2 3.98Å; F382-F474 AromaticContact CG-CZ 3.65Å; F382-F474 HydrophobicContact CG-CZ 3.65Å; F382-F474 HydrophobicContact CZ-CZ 4.36Å
383	R	95.5	Very high	88	Confident	60 Å²	60	41.7 Å²	41.7	23%	0.226	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.5	177.4	-178.6	180	69.7	80.4	1.8	111.1	E188 L258 V259 E260 V455	E188-R383 VanDerWaalsContact CD-NH1 3.26Å; E188-R383 IonicContact OE1-CZ 3.44Å; E188-R383 IonicContact OE1-NH1 3.8Å; E188-R383 PolarHBondContact OE1-NH1 2.71Å; E188-R383 IonicContact OE2-CZ 2.71Å; E188-R383 VanDerWaalsContact OE2-CZ 3.25Å; E188-R383 IonicContact OE2-NH1 2.62Å; E188-R383 PolarHBondContact OE2-NH1 3.44Å; E188-R383 IonicContact OE2-NH2 2.67Å; E188-R383 PolarHBondContact OE2-NH2 2.76Å; L258-R383 WeakPolarHBondContact CD1-O 3.14Å; V259-R383 HydrophobicContact CG2-CG 4.41Å; V259-R383 VanDerWaalsContact CG2-O 3.25Å; V259-R383 WeakPolarHBondContact CG2-O 3.26Å; V259-R383 PolarHBondContact N-O 3Å; E260-R383 HydrophobicContact CG-CB 3.78Å; E260-R383 PolarHBondContact N-O 3.37Å; E260-R383 PolarHBondContact O-N 2.86Å; E260-R383 IonicContact OE1-CZ 2.76Å; E260-R383 IonicContact OE1-NE 3.47Å; E260-R383 PolarHBondContact OE1-NE 2.79Å; E260-R383 IonicContact OE1-NH2 3.74Å; E260-R383 IonicContact OE2-CZ 3.29Å; E260-R383 IonicContact OE2-NE 2.68Å; E260-R383 PolarHBondContact OE2-NE 3.29Å; E260-R383 IonicContact OE2-NH2 3.75Å; E260-R383 PolarHBondContact OE2-NH2 3.3Å; R383-V455 HydrophobicContact CB-CG2 4.34Å; R383-V455 HydrophobicContact CG-CG2 4.21Å
384	F	94.8	Very high	90	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.2	-177.2	-62.8	-91.9	0	0	0	111.2	D256 D257 L258 F382 S386 R388 F390 Q454 V456 F474	D256-F384 WeakPolarHBondContact O-CD1 3.5Å; D257-F384 CarbonylContact O-C 3.5Å; D257-F384 WeakPolarHBondContact O-CA 3.28Å; L258-F384 HydrophobicContact CB-CD1 4.02Å; L258-F384 HydrophobicContact CB-CE1 3.84Å; L258-F384 HydrophobicContact CD1-CD1 3.94Å; L258-F384 HydrophobicContact CD1-CD2 4.19Å; L258-F384 HydrophobicContact CD1-CE1 3.59Å; L258-F384 HydrophobicContact CD1-CE2 3.82Å; L258-F384 HydrophobicContact CD1-CG 4.25Å; L258-F384 HydrophobicContact CD1-CZ 3.52Å; L258-F384 HydrophobicContact CG-CE1 4.32Å; F382-F384 HydrophobicContact CB-CE2 3.92Å; F382-F384 HydrophobicContact CB-CZ 4.35Å; F384-S386 PolarHBondContact O-N 3Å; F384-S386 VanDerWaalsContact O-N 3.15Å; F384-R388 HydrophobicContact CB-CG 4.45Å; F384-F390 HydrophobicContact CD1-CE1 4.39Å; F384-F390 HydrophobicContact CD1-CZ 4.39Å; F384-F390 HydrophobicContact CD2-CE1 4.18Å; F384-F390 AromaticContact CD2-CZ 3.66Å; F384-F390 HydrophobicContact CD2-CZ 3.66Å; F384-F390 AromaticContact CE1-CE1 3.95Å; F384-F390 HydrophobicContact CE1-CE1 3.95Å; F384-F390 HydrophobicContact CE1-CZ 4.33Å; F384-F390 AromaticContact CE2-CE1 3.75Å; F384-F390 HydrophobicContact CE2-CE1 3.75Å; F384-F390 AromaticContact CE2-CZ 3.62Å; F384-F390 HydrophobicContact CE2-CZ 3.62Å; F384-F390 HydrophobicContact CG-CE1 4.48Å; F384-F390 HydrophobicContact CG-CZ 4.06Å; F384-F390 AromaticContact CZ-CE1 3.61Å; F384-F390 HydrophobicContact CZ-CE1 3.61Å; F384-F390 AromaticContact CZ-CZ 3.97Å; F384-F390 HydrophobicContact CZ-CZ 3.97Å; F384-Q454 WeakPolarHBondContact CD2-O 3.46Å; F384-Q454 PolarHBondContact N-O 2.87Å; F384-Q454 WeakPolarHBondContact O-CG 3.38Å; F384-Q454 PolarHBondContact O-NE2 3.41Å; F384-V456 HydrophobicContact CD2-CG2 4.37Å; F384-V456 HydrophobicContact CE2-CB 4.22Å; F384-V456 HydrophobicContact CE2-CG2 3.69Å; F384-F474 HydrophobicContact CE1-CB 4.22Å; F384-F474 HydrophobicContact CE1-CD2 4.23Å; F384-F474 HydrophobicContact CE1-CG 4.23Å; F384-F474 HydrophobicContact CZ-CB 4.12Å; F384-F474 AromaticContact CZ-CD1 4Å; F384-F474 HydrophobicContact CZ-CD1 4Å; F384-F474 AromaticContact CZ-CD2 3.73Å; F384-F474 HydrophobicContact CZ-CD2 3.73Å; F384-F474 HydrophobicContact CZ-CE1 4.31Å; F384-F474 HydrophobicContact CZ-CE2 4.06Å; F384-F474 AromaticContact CZ-CG 3.7Å; F384-F474 HydrophobicContact CZ-CG 3.7Å; F384-F474 HydrophobicContact CZ-CZ 4.35Å
385	A	91.6	Very high	91.9	Very high	40 Å²	40	28.2 Å²	28.2	33%	0.331	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-15.4	-176.2	0	0	0	0	0	114.1	D257 V259	D257-A385 HydrophobicContact CB-CB 4.12Å; D257-A385 PolarHBondContact O-N 2.8Å; V259-A385 HydrophobicContact CG1-CB 3.78Å
386	S	89.9	Confident	93.3	Very high	20 Å²	20	26.5 Å²	26.5	14%	0.14	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	169.6	176.2	56.8	0	0	0	0	111	F384 R388 K478	F384-S386 PolarHBondContact O-N 3Å; F384-S386 VanDerWaalsContact O-N 3.15Å; S386-R388 WeakPolarHBondContact O-CG 3.12Å; S386-R388 PolarHBondContact O-N 3.02Å; S386-K478 WeakPolarHBondContact OG-CD 3.29Å; S386-K478 VanDerWaalsContact OG-CE 3.25Å; S386-K478 WeakPolarHBondContact OG-CE 3.4Å
387	V	92.1	Very high	93.8	Very high	31 Å²	31	24.2 Å²	24.2	19%	0.188	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.9	177.3	-167.1	0	0	0	0	110.2	V417 I452 G453 Q454 V479 I483	V387-V417 HydrophobicContact CG1-CG1 4.46Å; V387-V417 HydrophobicContact CG2-CG1 4.06Å; V387-I452 HydrophobicContact CG1-CG2 3.47Å; V387-I452 VanDerWaalsContact CG1-CG2 3.47Å; V387-G453 WeakPolarHBondContact CA-O 3.2Å; V387-Q454 HydrophobicContact CG2-CB 4.32Å; V387-V479 HydrophobicContact CG1-CG2 4.48Å; V387-V479 PolarHBondContact O-N 3.27Å; V387-I483 HydrophobicContact CB-CD1 4.18Å; V387-I483 HydrophobicContact CG1-CD1 3.64Å
388	R	93.3	Very high	93.9	Very high	8 Å²	8	23.6 Å²	23.6	3%	0.03	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.8	-177	-47.8	-170.7	71.8	91.8	3.8	112	S255 D256 D257 F384 S386 F390 I452 G453 S476 E477	S255-R388 PolarHBondContact O-NH1 3.03Å; S255-R388 PolarHBondContact O-NH2 2.84Å; D256-R388 VanDerWaalsContact O-CD 3.27Å; D256-R388 WeakPolarHBondContact O-CD 3.36Å; D256-R388 PolarHBondContact O-NE 2.93Å; D256-R388 PolarHBondContact O-NH1 2.92Å; D257-R388 VanDerWaalsContact CB-NH1 3.27Å; D257-R388 IonicContact OD2-CZ 3.54Å; D257-R388 IonicContact OD2-NH1 3.41Å; D257-R388 PolarHBondContact OD2-NH1 2.8Å; F384-R388 HydrophobicContact CB-CG 4.45Å; S386-R388 WeakPolarHBondContact O-CG 3.12Å; S386-R388 PolarHBondContact O-N 3.02Å; R388-F390 HydrophobicContact CB-CD2 4.37Å; R388-F390 HydrophobicContact CB-CE1 4.35Å; R388-F390 HydrophobicContact CB-CE2 3.89Å; R388-F390 HydrophobicContact CB-CZ 3.86Å; R388-F390 HydrophobicContact CG-CZ 4.28Å; R388-I452 VanDerWaalsContact O-CA 3.27Å; R388-I452 WeakPolarHBondContact O-CA 3.34Å; R388-G453 PolarHBondContact N-O 2.86Å; R388-G453 PolarHBondContact O-N 3.43Å; R388-S476 PolarHBondContact NE-OG 3.47Å; R388-S476 PolarHBondContact NH2-O 3.42Å; R388-E477 CarbonylContact C-O 3.6Å; R388-E477 VanDerWaalsContact CA-O 3.24Å; R388-E477 WeakPolarHBondContact CA-O 3.25Å; R388-E477 WeakPolarHBondContact CB-O 3.42Å
389	N	93.5	Very high	93.8	Very high	41 Å²	41	24 Å²	24	22%	0.219	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.3	164.1	173.8	-20.5	0	0	0	107.6	H450 S476 E477 V479	N389-H450 VanDerWaalsContact OD1-C 3.32Å; N389-H450 WeakPolarHBondContact OD1-CA 3.48Å; N389-H450 VanDerWaalsContact OD1-CB 3.25Å; N389-H450 WeakPolarHBondContact OD1-CB 3.1Å; N389-H450 PolarHBondContact OD1-ND1 3.4Å; N389-H450 PolarHBondContact OD1-O 2.86Å; N389-S476 CarbonylContact O-C 3.57Å; N389-S476 WeakPolarHBondContact O-CA 3.4Å; N389-S476 VanDerWaalsContact O-CB 3.26Å; N389-S476 WeakPolarHBondContact O-CB 3.27Å; N389-E477 PolarHBondContact N-O 2.8Å; N389-E477 PolarHBondContact O-N 3.01Å; N389-V479 HydrophobicContact CB-CG2 4.32Å
390	F	94.8	Very high	93.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119	-174.8	-67.2	-85.9	0	0	0	112.1	F384 R388 F415 L448 H450 R451 G453 V456 F474 S476	F384-F390 HydrophobicContact CD1-CE1 4.39Å; F384-F390 HydrophobicContact CD1-CZ 4.39Å; F384-F390 HydrophobicContact CD2-CE1 4.18Å; F384-F390 AromaticContact CD2-CZ 3.66Å; F384-F390 HydrophobicContact CD2-CZ 3.66Å; F384-F390 AromaticContact CE1-CE1 3.95Å; F384-F390 HydrophobicContact CE1-CE1 3.95Å; F384-F390 HydrophobicContact CE1-CZ 4.33Å; F384-F390 AromaticContact CE2-CE1 3.75Å; F384-F390 HydrophobicContact CE2-CE1 3.75Å; F384-F390 AromaticContact CE2-CZ 3.62Å; F384-F390 HydrophobicContact CE2-CZ 3.62Å; F384-F390 HydrophobicContact CG-CE1 4.48Å; F384-F390 HydrophobicContact CG-CZ 4.06Å; F384-F390 AromaticContact CZ-CE1 3.61Å; F384-F390 HydrophobicContact CZ-CE1 3.61Å; F384-F390 AromaticContact CZ-CZ 3.97Å; F384-F390 HydrophobicContact CZ-CZ 3.97Å; R388-F390 HydrophobicContact CB-CD2 4.37Å; R388-F390 HydrophobicContact CB-CE1 4.35Å; R388-F390 HydrophobicContact CB-CE2 3.89Å; R388-F390 HydrophobicContact CB-CZ 3.86Å; R388-F390 HydrophobicContact CG-CZ 4.28Å; F390-F415 HydrophobicContact CB-CE1 3.79Å; F390-F415 HydrophobicContact CB-CZ 4.4Å; F390-F415 AromaticContact CD2-CD1 3.72Å; F390-F415 HydrophobicContact CD2-CD1 3.72Å; F390-F415 AromaticContact CD2-CE1 3.57Å; F390-F415 HydrophobicContact CD2-CE1 3.57Å; F390-F415 HydrophobicContact CE2-CD1 4.16Å; F390-F415 HydrophobicContact CE2-CE1 4.3Å; F390-F415 HydrophobicContact CG-CD1 4.35Å; F390-F415 AromaticContact CG-CE1 3.73Å; F390-F415 HydrophobicContact CG-CE1 3.73Å; F390-L448 HydrophobicContact CB-CB 3.98Å; F390-L448 HydrophobicContact CB-CD1 3.74Å; F390-L448 HydrophobicContact CD1-CD1 4.43Å; F390-L448 HydrophobicContact CG-CD1 4.39Å; F390-L448 CarbonylContact O-C 3.49Å; F390-L448 WeakPolarHBondContact O-CB 3.41Å; F390-H450 WeakPolarHBondContact O-CA 3.34Å; F390-H450 PolarHBondContact O-N 3.22Å; F390-R451 WeakPolarHBondContact CD2-O 3.28Å; F390-R451 PolarHBondContact N-O 2.79Å; F390-R451 PolarHBondContact O-N 3.41Å; F390-G453 WeakPolarHBondContact CE2-O 3.46Å; F390-V456 HydrophobicContact CD1-CG2 4.4Å; F390-V456 HydrophobicContact CD2-CG2 4.29Å; F390-V456 HydrophobicContact CE1-CG2 3.92Å; F390-V456 HydrophobicContact CE2-CG2 3.77Å; F390-V456 HydrophobicContact CZ-CG2 3.57Å; F390-F474 HydrophobicContact CD1-CB 4.35Å; F390-F474 HydrophobicContact CD1-CD1 4.32Å; F390-F474 HydrophobicContact CE1-CB 4.3Å; F390-F474 HydrophobicContact CE1-CD1 4.32Å; F390-S476 VanDerWaalsContact CD1-CB 3.5Å
391	T	94.4	Very high	93.4	Very high	28 Å²	28	25 Å²	25	17%	0.172	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	-48.6	-176.9	-54.6	0	0	0	0	111.4	L448 H450 E475	T391-L448 PolarHBondContact O-N 2.83Å; T391-H450 VanDerWaalsContact CG2-CE1 3.46Å; T391-H450 WeakPolarHBondContact CG2-CE1 3.42Å; T391-H450 PolarHBondContact OG1-CE1 2.86Å; T391-H450 VanDerWaalsContact OG1-CE1 3.27Å; T391-H450 PolarHBondContact OG1-ND1 2.73Å; T391-E475 WeakPolarHBondContact CA-O 3.38Å; T391-E475 PolarHBondContact N-O 2.68Å
392	R	94.8	Very high	92.9	Very high	100 Å²	100	28.6 Å²	28.6	38%	0.377	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.1	177.5	-51.8	-172.8	-174	108.1	-4	113.2	I445 L446 F474 E475	R392-I445 HydrophobicContact CB-CG2 4.32Å; R392-L446 CarbonylContact C-O 3.1Å; R392-L446 WeakPolarHBondContact CA-O 3.11Å; R392-L446 WeakPolarHBondContact CB-O 3.23Å; R392-F474 CarbonylContact O-C 3.38Å; R392-E475 HydrophobicContact CB-CB 4.02Å; R392-E475 HydrophobicContact CB-CG 4.28Å; R392-E475 WeakPolarHBondContact CB-OE1 3.14Å; R392-E475 WeakPolarHBondContact CD-OE1 3.29Å; R392-E475 IonicContact CZ-OE2 2.73Å; R392-E475 PolarHBondContact N-O 3.3Å; R392-E475 VanDerWaalsContact N-O 3.12Å; R392-E475 IonicContact NH1-OE1 2.7Å; R392-E475 IonicContact NH1-OE2 3.7Å; R392-E475 PolarHBondContact NH1-OE2 2.96Å; R392-E475 PolarHBondContact O-N 2.7Å
393	L	95.3	Very high	92.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.6	168.7	169.2	56.4	0	0	0	109	L395 V413 I445 L446 L448 L458 I472 R473 F474	L393-L395 HydrophobicContact CD1-CD2 3.56Å; L393-L395 HydrophobicContact CD1-CG 4.33Å; L393-L395 HydrophobicContact CD2-CD2 4.14Å; L393-L395 HydrophobicContact CG-CD2 3.77Å; L393-L395 HydrophobicContact CG-CG 4.08Å; L393-V413 HydrophobicContact CD2-CG2 4.13Å; L393-I445 WeakPolarHBondContact O-CA 3.47Å; L393-L446 HydrophobicContact CB-CB 4.35Å; L393-L446 HydrophobicContact CD2-CD1 4.32Å; L393-L446 PolarHBondContact N-O 3.34Å; L393-L446 PolarHBondContact O-N 3.48Å; L393-L448 HydrophobicContact CB-CD1 3.76Å; L393-L448 HydrophobicContact CB-CD2 4.04Å; L393-L448 HydrophobicContact CB-CG 3.99Å; L393-L458 HydrophobicContact CD2-CD1 4.05Å; L393-L458 HydrophobicContact CD2-CD2 4.38Å; L393-I472 HydrophobicContact CD1-CG2 3.84Å; L393-R473 WeakPolarHBondContact CA-O 3.31Å; L393-R473 WeakPolarHBondContact CD1-O 3.35Å; L393-F474 HydrophobicContact CD1-CD1 3.83Å; L393-F474 HydrophobicContact CD1-CE1 3.6Å; L393-F474 HydrophobicContact CD1-CE2 4.33Å; L393-F474 HydrophobicContact CD1-CG 4.28Å; L393-F474 HydrophobicContact CD1-CZ 3.88Å; L393-F474 HydrophobicContact CD2-CE1 4.18Å; L393-F474 HydrophobicContact CG-CE1 4.39Å
394	R	94	Very high	92.2	Very high	44 Å²	44	32.3 Å²	32.3	17%	0.166	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.2	177	-63.5	178	-176.7	-169.1	3.3	109.3	Y84 I444 I445 I472 R473 E475	Y84-R394 WeakPolarHBondContact OH-CD 3.44Å; Y84-R394 PolarHBondContact OH-NH1 3.01Å; R394-I444 WeakPolarHBondContact CA-O 3.45Å; R394-I445 HydrophobicContact CG-CG1 4.2Å; R394-I445 HydrophobicContact CG-CG2 4.24Å; R394-I472 WeakPolarHBondContact O-CA 3.17Å; R394-R473 PolarHBondContact N-O 3.49Å; R394-R473 PolarHBondContact O-N 2.8Å; R394-E475 IonicContact CZ-OE1 2.63Å; R394-E475 IonicContact NE-OE1 2.68Å; R394-E475 PolarHBondContact NE-OE1 3.18Å; R394-E475 IonicContact NH2-OE1 3.66Å; R394-E475 PolarHBondContact NH2-OE1 3.14Å; R394-E475 IonicContact NH2-OE2 3.25Å
395	L	94.7	Very high	92	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135	-176.5	-52.8	174.3	0	0	0	109.7	L393 I397 L411 S443 I444 L458 F469 I472	L393-L395 HydrophobicContact CD1-CD2 3.56Å; L393-L395 HydrophobicContact CD1-CG 4.33Å; L393-L395 HydrophobicContact CD2-CD2 4.14Å; L393-L395 HydrophobicContact CG-CD2 3.77Å; L393-L395 HydrophobicContact CG-CG 4.08Å; L395-I397 HydrophobicContact CB-CD1 4.13Å; L395-I397 HydrophobicContact CB-CG1 4.09Å; L395-I397 HydrophobicContact CD1-CD1 4.38Å; L395-L411 HydrophobicContact CD1-CD1 3.49Å; L395-L411 VanDerWaalsContact CD1-CD1 3.49Å; L395-L411 HydrophobicContact CD1-CD2 4.34Å; L395-S443 CarbonylContact O-C 3.54Å; L395-S443 WeakPolarHBondContact O-CA 3.05Å; L395-I444 HydrophobicContact CB-CB 4.42Å; L395-I444 PolarHBondContact N-O 3.43Å; L395-I444 PolarHBondContact O-N 2.85Å; L395-L458 HydrophobicContact CD1-CD2 4.4Å; L395-L458 HydrophobicContact CD2-CD2 3.94Å; L395-F469 HydrophobicContact CB-CE1 4.19Å; L395-F469 HydrophobicContact CD1-CE1 4.17Å; L395-F469 HydrophobicContact CD2-CE1 4.13Å; L395-F469 HydrophobicContact CG-CE1 4.4Å; L395-I472 HydrophobicContact CD2-CB 4.21Å; L395-I472 HydrophobicContact CD2-CD1 4.33Å; L395-I472 HydrophobicContact CD2-CG1 3.88Å; L395-I472 HydrophobicContact CD2-CG2 3.79Å
396	Y	94.4	Very high	92	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.9	173.1	-66.3	-90	0	0	0	109.8	Y84 V441 F442 F469 S470 E471	Y84-Y396 WeakPolarHBondContact CD1-OH 3.48Å; Y84-Y396 WeakPolarHBondContact CD2-OH 3.09Å; Y84-Y396 WeakPolarHBondContact CE2-OH 3.31Å; Y396-V441 HydrophobicContact CD1-CG1 4.47Å; Y396-F442 WeakPolarHBondContact CA-O 3.15Å; Y396-F469 CarbonylContact O-C 3.52Å; Y396-F469 VanDerWaalsContact O-CA 3.27Å; Y396-F469 WeakPolarHBondContact O-CA 3.34Å; Y396-S470 VanDerWaalsContact CB-OG 3.26Å; Y396-S470 WeakPolarHBondContact CB-OG 3.42Å; Y396-S470 PolarHBondContact O-N 3.44Å; Y396-E471 HydrophobicContact CD2-CB 3.67Å; Y396-E471 HydrophobicContact CD2-CG 4.04Å; Y396-E471 HydrophobicContact CE2-CB 4.37Å; Y396-E471 HydrophobicContact CE2-CG 4.31Å; Y396-E471 HydrophobicContact CG-CB 4.32Å; Y396-E471 PolarHBondContact N-O 2.9Å
397	I	94.3	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134.3	-170.1	-48.7	-173.5	0	0	0	109.8	L395 L407 P408 F442 I444 L467 L468 F469	L395-I397 HydrophobicContact CB-CD1 4.13Å; L395-I397 HydrophobicContact CB-CG1 4.09Å; L395-I397 HydrophobicContact CD1-CD1 4.38Å; I397-L407 HydrophobicContact CB-CD2 3.86Å; I397-L407 HydrophobicContact CG2-CD2 3.84Å; I397-P408 HydrophobicContact CD1-CG 3.9Å; I397-F442 PolarHBondContact N-O 2.89Å; I397-F442 PolarHBondContact O-N 2.99Å; I397-I444 HydrophobicContact CD1-CD1 3.99Å; I397-L467 HydrophobicContact CG2-CD1 4.15Å; I397-L468 WeakPolarHBondContact CA-O 3.46Å; I397-L468 VanDerWaalsContact CG2-O 3.29Å; I397-L468 WeakPolarHBondContact CG2-O 3.34Å; I397-F469 HydrophobicContact CD1-CD1 4.16Å; I397-F469 HydrophobicContact CD1-CE1 3.57Å; I397-F469 HydrophobicContact CD1-CE2 4.01Å; I397-F469 HydrophobicContact CD1-CZ 3.49Å; I397-F469 VanDerWaalsContact CD1-CZ 3.49Å; I397-F469 HydrophobicContact CG1-CD1 3.84Å; I397-F469 HydrophobicContact CG1-CD2 4.4Å; I397-F469 HydrophobicContact CG1-CE1 3.78Å; I397-F469 HydrophobicContact CG1-CE2 4.35Å; I397-F469 HydrophobicContact CG1-CG 4.18Å; I397-F469 HydrophobicContact CG1-CZ 4.06Å
398	S	92.6	Very high	92.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	148.6	175.7	-167.8	0	0	0	0	112.4	P339 I405 G440 L468	P339-S398 VanDerWaalsContact CD-OG 3.27Å; P339-S398 WeakPolarHBondContact CD-OG 3.42Å; P339-S398 WeakPolarHBondContact CG-OG 3.41Å; S398-I405 WeakPolarHBondContact O-CG2 3.48Å; S398-G440 WeakPolarHBondContact CA-O 3.27Å; S398-L468 PolarHBondContact N-O 3.14Å
399	N	91.6	Very high	92.1	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.043	16%	0.163	C	C	.	.			trans	-131.3	55.6	175	-169.2	61.1	0	0	0	111.4	Y401 I405 R406 L407 S438 G440 F442	N399-Y401 VanDerWaalsContact C-N 3.27Å; N399-Y401 PolarHBondContact O-N 3.26Å; N399-I405 CarbonylContact C-O 3.3Å; N399-R406 WeakPolarHBondContact OD1-CA 3.48Å; N399-L407 HydrophobicContact CB-CD2 3.96Å; N399-L407 HydrophobicContact CB-CG 3.94Å; N399-L407 PolarHBondContact OD1-N 3.39Å; N399-S438 PolarHBondContact ND2-O 3.35Å; N399-G440 PolarHBondContact N-O 2.05Å; N399-F442 HydrophobicContact CB-CD2 3.73Å; N399-F442 HydrophobicContact CB-CE2 3.55Å; N399-F442 HydrophobicContact CB-CZ 4.45Å
400	N	90	Very high	92.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	17%	0.166	C	C	.	.			trans	-79	74.7	170.3	-176.6	8.8	0	0	0	111.3	I338 P339 L402 E403 K404 I405	I338-N400 HydrophobicContact CG2-CB 4.09Å; I338-N400 WeakPolarHBondContact CG2-ND2 3.35Å; P339-N400 PolarHBondContact O-ND2 3.39Å; N400-L402 PolarHBondContact O-N 3.27Å; N400-L402 VanDerWaalsContact O-N 3.1Å; N400-E403 PolarHBondContact O-N 3.33Å; N400-K404 PolarHBondContact O-N 3.23Å; N400-I405 CarbonylContact C-O 3.16Å; N400-I405 HydrophobicContact CB-CB 4.02Å; N400-I405 HydrophobicContact CB-CD1 3.86Å; N400-I405 PolarHBondContact N-O 2.81Å; N400-I405 WeakPolarHBondContact O-CB 3.48Å; N400-I405 PolarHBondContact O-N 2.8Å
401	Y	87.2	Confident	92.2	Very high	69 Å²	69	38.8 Å²	38.8	27%	0.271	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-64.6	-15.5	-176	66.9	-100.3	0	0	0	114.2	N399 E403 K404 I405 L439	N399-Y401 VanDerWaalsContact C-N 3.27Å; N399-Y401 PolarHBondContact O-N 3.26Å; Y401-E403 VanDerWaalsContact C-N 3.26Å; Y401-E403 PolarHBondContact O-N 3.21Å; Y401-K404 PolarHBondContact O-N 2.91Å; Y401-I405 WeakPolarHBondContact CA-O 3.33Å; Y401-I405 PolarHBondContact N-O 3.42Å; Y401-L439 HydrophobicContact CD1-CD2 3.47Å; Y401-L439 VanDerWaalsContact CD1-CD2 3.47Å; Y401-L439 HydrophobicContact CD1-CG 4.31Å; Y401-L439 HydrophobicContact CE1-CD2 3.41Å; Y401-L439 VanDerWaalsContact CE1-CD2 3.41Å; Y401-L439 HydrophobicContact CE1-CG 3.79Å; Y401-L439 HydrophobicContact CG-CD2 4.14Å
402	L	86.5	Confident	92.2	Very high	123 Å²	123	38.8 Å²	38.8	64%	0.644	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-69.1	-27.3	174.8	-61.8	174.7	0	0	0	112	N400 L439	N400-L402 PolarHBondContact O-N 3.27Å; N400-L402 VanDerWaalsContact O-N 3.1Å; L402-L439 HydrophobicContact CD1-CD1 3.92Å; L402-L439 HydrophobicContact CD1-CD2 4.42Å; L402-L439 HydrophobicContact CG-CD2 4.23Å
403	E	86	Confident	92.2	Very high	38 Å²	38	34 Å²	34	18%	0.178	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-111.9	24.6	174.9	-60.1	-169.5	154.6	0	0	112.3	S340 I341 N400 Y401 I405	S340-E403 WeakPolarHBondContact CA-OE2 3.46Å; S340-E403 PolarHBondContact OG-OE1 3.48Å; S340-E403 PolarHBondContact OG-OE2 3.33Å; I341-E403 HydrophobicContact CD1-CB 3.99Å; I341-E403 VanDerWaalsContact CD1-O 3.24Å; I341-E403 WeakPolarHBondContact CD1-O 3.35Å; I341-E403 PolarHBondContact N-OE2 2.67Å; N400-E403 PolarHBondContact O-N 3.33Å; Y401-E403 VanDerWaalsContact C-N 3.26Å; Y401-E403 PolarHBondContact O-N 3.21Å; E403-I405 HydrophobicContact CB-CD1 4.44Å; E403-I405 PolarHBondContact O-N 3.16Å
404	K	89.5	Confident	92.2	Very high	102 Å²	102	36.8 Å²	36.8	44%	0.443	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	17.4	179.9	-51.1	-171.7	-171.1	-174.4	0	115.9	N400 Y401 D464 D465 W466	N400-K404 PolarHBondContact O-N 3.23Å; Y401-K404 PolarHBondContact O-N 2.91Å; K404-D464 WeakPolarHBondContact CB-OD1 3.37Å; K404-D464 WeakPolarHBondContact O-CB 3.26Å; K404-D465 HydrophobicContact CB-CB 4.11Å; K404-D465 HydrophobicContact CD-CB 3.81Å; K404-D465 WeakPolarHBondContact CD-OD2 3.44Å; K404-D465 WeakPolarHBondContact CE-OD2 3.37Å; K404-D465 IonicContact NZ-OD2 3.75Å; K404-D465 PolarHBondContact NZ-OD2 3.02Å; K404-W466 PolarHBondContact O-N 3.28Å; K404-W466 VanDerWaalsContact O-N 3.09Å
405	I	91.2	Very high	92.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-82	120.3	170.1	-63	154.4	0	0	0	107.8	P339 I341 S398 N399 N400 Y401 E403 W466 L468	P339-I405 HydrophobicContact CG-CD1 4.33Å; I341-I405 HydrophobicContact CD1-CD1 3.54Å; I341-I405 HydrophobicContact CD1-CG1 3.56Å; I341-I405 HydrophobicContact CG1-CD1 4.11Å; S398-I405 WeakPolarHBondContact O-CG2 3.48Å; N399-I405 CarbonylContact C-O 3.3Å; N400-I405 CarbonylContact C-O 3.16Å; N400-I405 HydrophobicContact CB-CB 4.02Å; N400-I405 HydrophobicContact CB-CD1 3.86Å; N400-I405 PolarHBondContact N-O 2.81Å; N400-I405 WeakPolarHBondContact O-CB 3.48Å; N400-I405 PolarHBondContact O-N 2.8Å; Y401-I405 WeakPolarHBondContact CA-O 3.33Å; Y401-I405 PolarHBondContact N-O 3.42Å; E403-I405 HydrophobicContact CB-CD1 4.44Å; E403-I405 PolarHBondContact O-N 3.16Å; I405-W466 HydrophobicContact CB-CB 4.31Å; I405-W466 HydrophobicContact CG1-CB 3.66Å; I405-W466 HydrophobicContact CG1-CG 4.32Å; I405-L468 HydrophobicContact CD1-CD1 3.57Å; I405-L468 HydrophobicContact CD1-CG 4.43Å; I405-L468 HydrophobicContact CG1-CD1 3.89Å; I405-L468 HydrophobicContact CG1-CG 4.23Å; I405-L468 HydrophobicContact CG2-CB 4.29Å; I405-L468 HydrophobicContact CG2-CD1 3.92Å; I405-L468 HydrophobicContact CG2-CG 3.9Å
406	R	91.5	Very high	92	Very high	28 Å²	28	35 Å²	35	11%	0.106	15%	0.152	C	C	.	.			trans	-130.3	154.5	-179.4	-68.9	-61.5	-164.2	142.5	2.8	113	N399 L434 N436 A463 D464 W466 L467	N399-R406 WeakPolarHBondContact OD1-CA 3.48Å; R406-L434 HydrophobicContact CG-CD2 4.42Å; R406-N436 VanDerWaalsContact CZ-OD1 3.31Å; R406-N436 PolarHBondContact NH1-OD1 3.13Å; R406-N436 PolarHBondContact NH2-OD1 2.9Å; R406-A463 HydrophobicContact CB-CB 3.89Å; R406-A463 HydrophobicContact CG-CB 4.45Å; R406-D464 HydrophobicContact CB-CB 3.97Å; R406-D464 HydrophobicContact CG-CB 3.33Å; R406-D464 IonicContact NE-OD2 3.85Å; R406-D464 PolarHBondContact NE-OD2 2.98Å; R406-W466 PolarHBondContact N-O 2.81Å; R406-W466 VanDerWaalsContact N-O 3.14Å; R406-L467 WeakPolarHBondContact O-CD1 3.37Å
407	L	92.6	Very high	91.6	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.131	17%	0.166	C	C	.	.			trans	-55.6	144.8	158	-53.9	-175.7	0	0	0	110.5	I397 N399 F442 I444 A463	I397-L407 HydrophobicContact CB-CD2 3.86Å; I397-L407 HydrophobicContact CG2-CD2 3.84Å; N399-L407 HydrophobicContact CB-CD2 3.96Å; N399-L407 HydrophobicContact CB-CG 3.94Å; N399-L407 PolarHBondContact OD1-N 3.39Å; L407-F442 HydrophobicContact CD1-CB 4.38Å; L407-F442 HydrophobicContact CD1-CD1 4.34Å; L407-F442 HydrophobicContact CD1-CG 4.15Å; L407-F442 HydrophobicContact CD2-CB 3.93Å; L407-F442 HydrophobicContact CD2-CD2 4.1Å; L407-F442 HydrophobicContact CD2-CG 4.11Å; L407-I444 HydrophobicContact CD1-CD1 4.49Å; L407-I444 HydrophobicContact CD2-CD1 4.44Å; L407-A463 WeakPolarHBondContact O-CB 3.09Å
408	P	93.6	Very high	90.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.195	C	C	.	.			trans	-63.8	141.3	-178.9	26.5	-34.1	0	0	0	111	I397 R410 L411 F432 A460 F461 L467	I397-P408 HydrophobicContact CD1-CG 3.9Å; P408-R410 VanDerWaalsContact C-N 3.26Å; P408-R410 PolarHBondContact O-N 2.77Å; P408-L411 HydrophobicContact CB-CD2 4.05Å; P408-L411 HydrophobicContact CB-CG 4.47Å; P408-L411 HydrophobicContact CG-CD1 4.28Å; P408-L411 HydrophobicContact CG-CD2 3.57Å; P408-L411 HydrophobicContact CG-CG 3.84Å; P408-F432 VanDerWaalsContact O-CD2 3.25Å; P408-F432 WeakPolarHBondContact O-CD2 3.24Å; P408-A460 HydrophobicContact CB-CB 4.28Å; P408-F461 CarbonylContact C-O 3.33Å; P408-F461 WeakPolarHBondContact CA-O 3.5Å; P408-L467 HydrophobicContact CB-CD1 4.09Å; P408-L467 HydrophobicContact CG-CD1 4.35Å
409	R	92.7	Very high	89.5	Confident	146 Å²	146	41.2 Å²	41.2	55%	0.551	21%	0.21	S	C	*	.	S	Bend	trans	-64.3	-37.1	179.5	171.7	178.4	167.9	138.1	4.3	110.9	E431 F432 F461 A463	R409-E431 WeakPolarHBondContact O-CA 3.13Å; R409-F432 PolarHBondContact O-N 2.62Å; R409-F461 PolarHBondContact N-O 3.38Å; R409-A463 HydrophobicContact CB-CB 3.99Å
410	R	93.8	Very high	88.2	Confident	75 Å²	75	44.1 Å²	44.1	28%	0.283	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	144.5	178.8	-177	173.6	68.5	171.7	5.2	109.2	P408 E412 R430 E431 F461	P408-R410 VanDerWaalsContact C-N 3.26Å; P408-R410 PolarHBondContact O-N 2.77Å; R410-E412 HydrophobicContact CG-CG 4.4Å; R410-E412 IonicContact CZ-OE1 3.52Å; R410-E412 IonicContact NE-OE1 3.64Å; R410-E412 PolarHBondContact NE-OE1 3.29Å; R410-E412 IonicContact NH1-OE1 3.94Å; R410-E412 PolarHBondContact NH1-OE1 3.35Å; R410-E412 IonicContact NH2-OE1 3.25Å; R410-E412 PolarHBondContact NH2-OE1 2.81Å; R410-E412 VanDerWaalsContact NH2-OE1 3.17Å; R410-R430 CarbonylContact C-O 3.6Å; R410-R430 WeakPolarHBondContact CA-O 3.44Å; R410-E431 HydrophobicContact CB-CG 4.33Å; R410-E431 HydrophobicContact CG-CG 4.1Å; R410-F461 HydrophobicContact CB-CB 4.16Å; R410-F461 HydrophobicContact CB-CD2 3.85Å; R410-F461 HydrophobicContact CB-CG 4.25Å; R410-F461 HydrophobicContact CG-CD2 4.06Å; R410-F461 HydrophobicContact CG-CE2 4.46Å; R410-F461 WeakPolarHBondContact O-CD2 3.35Å; R410-F461 PolarHBondContact O-N 2.85Å
411	L	95.6	Very high	87.2	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.1	164.4	-67.7	174.2	0	0	0	108.5	L395 P408 S429 R430 F432 I444 L446 L458 K459 A460	L395-L411 HydrophobicContact CD1-CD1 3.49Å; L395-L411 VanDerWaalsContact CD1-CD1 3.49Å; L395-L411 HydrophobicContact CD1-CD2 4.34Å; P408-L411 HydrophobicContact CB-CD2 4.05Å; P408-L411 HydrophobicContact CB-CG 4.47Å; P408-L411 HydrophobicContact CG-CD1 4.28Å; P408-L411 HydrophobicContact CG-CD2 3.57Å; P408-L411 HydrophobicContact CG-CG 3.84Å; L411-S429 CarbonylContact O-C 3.38Å; L411-S429 VanDerWaalsContact O-CA 3.28Å; L411-S429 WeakPolarHBondContact O-CA 3.43Å; L411-S429 PolarHBondContact O-OG 2.96Å; L411-R430 PolarHBondContact N-O 2.79Å; L411-R430 PolarHBondContact O-N 2.85Å; L411-F432 HydrophobicContact CB-CE2 4.28Å; L411-F432 HydrophobicContact CD1-CE2 3.72Å; L411-F432 HydrophobicContact CD1-CZ 3.91Å; L411-F432 HydrophobicContact CG-CE2 3.83Å; L411-I444 HydrophobicContact CD1-CG2 4.29Å; L411-L446 HydrophobicContact CB-CD1 4.24Å; L411-L446 HydrophobicContact CD1-CD1 3.97Å; L411-L446 HydrophobicContact CD1-CD2 4.43Å; L411-L446 HydrophobicContact CD1-CG 4.49Å; L411-L458 HydrophobicContact CD2-CD1 4.27Å; L411-K459 WeakPolarHBondContact CA-O 3.4Å; L411-A460 HydrophobicContact CD2-CB 3.67Å
412	E	94.7	Very high	86.6	Confident	28 Å²	28	47.2 Å²	47.2	13%	0.131	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.9	169.1	-72.9	177.8	-169.7	0	0	110.3	R410 P427 I428 L458 K459 F461	R410-E412 HydrophobicContact CG-CG 4.4Å; R410-E412 IonicContact CZ-OE1 3.52Å; R410-E412 IonicContact NE-OE1 3.64Å; R410-E412 PolarHBondContact NE-OE1 3.29Å; R410-E412 IonicContact NH1-OE1 3.94Å; R410-E412 PolarHBondContact NH1-OE1 3.35Å; R410-E412 IonicContact NH2-OE1 3.25Å; R410-E412 PolarHBondContact NH2-OE1 2.81Å; R410-E412 VanDerWaalsContact NH2-OE1 3.17Å; E412-P427 HydrophobicContact CB-CB 4.41Å; E412-I428 CarbonylContact C-O 3.56Å; E412-I428 WeakPolarHBondContact CA-O 3.27Å; E412-L458 WeakPolarHBondContact O-CA 3.17Å; E412-K459 HydrophobicContact CB-CB 4.24Å; E412-K459 PolarHBondContact N-O 2.97Å; E412-K459 PolarHBondContact O-N 3.17Å; E412-F461 HydrophobicContact CB-CE2 4.31Å; E412-F461 HydrophobicContact CG-CE2 3.95Å
413	V	95.5	Very high	85.5	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130	177.5	-166.4	0	0	0	0	110.5	L393 F415 P427 I428 L446 L448 V456 Q457 L458	L393-V413 HydrophobicContact CD2-CG2 4.13Å; V413-F415 HydrophobicContact CB-CE2 4.44Å; V413-F415 HydrophobicContact CG1-CE1 4.45Å; V413-F415 HydrophobicContact CG1-CE2 3.81Å; V413-F415 HydrophobicContact CG1-CZ 3.69Å; V413-P427 WeakPolarHBondContact O-CA 3.47Å; V413-I428 HydrophobicContact CB-CB 4.34Å; V413-I428 PolarHBondContact N-O 2.86Å; V413-I428 PolarHBondContact O-N 2.88Å; V413-L446 HydrophobicContact CG2-CD1 3.94Å; V413-L448 HydrophobicContact CB-CD2 4.31Å; V413-L448 HydrophobicContact CG1-CD2 4.11Å; V413-L448 HydrophobicContact CG2-CD2 4.18Å; V413-V456 HydrophobicContact CG1-CG1 3.53Å; V413-Q457 CarbonylContact C-O 3.54Å; V413-Q457 VanDerWaalsContact CA-O 3.27Å; V413-Q457 WeakPolarHBondContact CA-O 3.41Å; V413-L458 HydrophobicContact CG2-CD1 3.96Å
414	K	93.4	Very high	84.4	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	157	173.6	-60.9	-178.5	-175	179.6	0	110.8	F422 P427 V456 Q457	K414-F422 HydrophobicContact CB-CB 4.47Å; K414-F422 HydrophobicContact CB-CD1 3.85Å; K414-F422 HydrophobicContact CB-CG 4.45Å; K414-P427 HydrophobicContact CG-CB 3.84Å; K414-V456 WeakPolarHBondContact O-CA 3.49Å; K414-Q457 HydrophobicContact CB-CB 4.27Å; K414-Q457 PolarHBondContact N-O 2.99Å; K414-Q457 PolarHBondContact O-N 2.81Å
415	F	93.6	Very high	83.5	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.3	-175.3	-59.7	-94.4	0	0	0	110.6	F390 V413 F422 S423 I428 L448 R451 V456	F390-F415 HydrophobicContact CB-CE1 3.79Å; F390-F415 HydrophobicContact CB-CZ 4.4Å; F390-F415 AromaticContact CD2-CD1 3.72Å; F390-F415 HydrophobicContact CD2-CD1 3.72Å; F390-F415 AromaticContact CD2-CE1 3.57Å; F390-F415 HydrophobicContact CD2-CE1 3.57Å; F390-F415 HydrophobicContact CE2-CD1 4.16Å; F390-F415 HydrophobicContact CE2-CE1 4.3Å; F390-F415 HydrophobicContact CG-CD1 4.35Å; F390-F415 AromaticContact CG-CE1 3.73Å; F390-F415 HydrophobicContact CG-CE1 3.73Å; V413-F415 HydrophobicContact CB-CE2 4.44Å; V413-F415 HydrophobicContact CG1-CE1 4.45Å; V413-F415 HydrophobicContact CG1-CE2 3.81Å; V413-F415 HydrophobicContact CG1-CZ 3.69Å; F415-F422 WeakPolarHBondContact O-CA 3.19Å; F415-S423 PolarHBondContact O-N 3.33Å; F415-I428 HydrophobicContact CE2-CD1 4.11Å; F415-L448 HydrophobicContact CE1-CD1 4.21Å; F415-L448 HydrophobicContact CZ-CB 4.1Å; F415-L448 HydrophobicContact CZ-CD1 3.91Å; F415-L448 HydrophobicContact CZ-CD2 4.08Å; F415-L448 HydrophobicContact CZ-CG 4.24Å; F415-R451 HydrophobicContact CD1-CB 4.35Å; F415-R451 HydrophobicContact CD2-CB 3.91Å; F415-R451 HydrophobicContact CD2-CG 4.45Å; F415-R451 HydrophobicContact CE1-CB 4.39Å; F415-R451 HydrophobicContact CE2-CB 3.97Å; F415-R451 HydrophobicContact CE2-CG 4.41Å; F415-R451 HydrophobicContact CG-CB 4.13Å; F415-R451 HydrophobicContact CZ-CB 4.21Å; F415-V456 HydrophobicContact CD1-CG1 4.45Å; F415-V456 HydrophobicContact CD1-CG2 3.79Å; F415-V456 HydrophobicContact CE1-CG1 4.13Å; F415-V456 HydrophobicContact CE1-CG2 3.82Å
416	S	91.6	Very high	83.1	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.028	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.9	169.7	-177.8	0	0	0	0	110	G418 G419 H421 G453 Q454 V455	S416-G418 PolarHBondContact OG-N 3.08Å; S416-G419 PolarHBondContact OG-N 3.01Å; S416-H421 VanDerWaalsContact CB-O 3.27Å; S416-H421 WeakPolarHBondContact CB-O 3.42Å; S416-H421 PolarHBondContact OG-O 2.85Å; S416-G453 CarbonylContact O-C 3.57Å; S416-G453 WeakPolarHBondContact O-CA 3.46Å; S416-Q454 PolarHBondContact O-N 3.04Å; S416-V455 PolarHBondContact N-O 2.79Å; S416-V455 PolarHBondContact O-N 3.47Å
417	V	87	Confident	82.9	Confident	58 Å²	58	54 Å²	54	35%	0.352	31%	0.312	S	S	.	.	S	Bend	trans	-87.3	-20	171.7	179.5	0	0	0	0	111.7	V387	V387-V417 HydrophobicContact CG1-CG1 4.46Å; V387-V417 HydrophobicContact CG2-CG1 4.06Å
418	G	72.5	Confident	82.8	Confident	60 Å²	60	54.1 Å²	54.1	62%	0.619	31%	0.312	S	S	*	.	S	Bend	trans	-136.4	14.1	-173.8	0	0	0	0	0	115.7	S416 V420	S416-G418 PolarHBondContact OG-N 3.08Å; G418-V420 PolarHBondContact O-N 3.04Å
419	G	69.4	Low	82.7	Confident	30 Å²	30	56.9 Å²	56.9	31%	0.309	33%	0.332	S	S	.	.	S	Bend	trans	74.4	-39.4	177.6	0	0	0	0	0	115.9	S416 F422	S416-G419 PolarHBondContact OG-N 3.01Å; G419-F422 WeakPolarHBondContact O-CE2 3.48Å
420	V	64.8	Low	82.7	Confident	69 Å²	69	53.8 Å²	53.8	42%	0.418	32%	0.32	S	S	.	.	S	Bend	trans	-72.8	-50.1	-175.6	-174.8	0	0	0	0	112.2	G418 W1306 I1307	G418-V420 PolarHBondContact O-N 3.04Å; V420-W1306 HydrophobicContact CG1-CB 4.09Å; V420-I1307 WeakPolarHBondContact O-CD1 3.47Å
421	H	69.2	Low	82.6	Confident	90 Å²	90	56 Å²	56	42%	0.417	33%	0.333	S	S	.	.	S	Bend	trans	-108.9	111.4	-179	-64	-86	0	0	0	110.1	S416	S416-H421 VanDerWaalsContact CB-O 3.27Å; S416-H421 WeakPolarHBondContact CB-O 3.42Å; S416-H421 PolarHBondContact OG-O 2.85Å
422	F	75	Confident	82.1	Confident	52 Å²	52	57.4 Å²	57.4	23%	0.228	34%	0.34	C	S	.	.			trans	-73	141.5	166.1	-70.9	-90.2	0	0	0	109.4	L381 K414 F415 G419 G424 V455 Q457	L381-F422 HydrophobicContact CD2-CE1 4.39Å; L381-F422 HydrophobicContact CD2-CZ 3.72Å; K414-F422 HydrophobicContact CB-CB 4.47Å; K414-F422 HydrophobicContact CB-CD1 3.85Å; K414-F422 HydrophobicContact CB-CG 4.45Å; F415-F422 WeakPolarHBondContact O-CA 3.19Å; G419-F422 WeakPolarHBondContact O-CE2 3.48Å; F422-G424 PolarHBondContact O-N 2.81Å; F422-V455 HydrophobicContact CE1-CG1 4.29Å; F422-V455 HydrophobicContact CZ-CG1 4.1Å; F422-Q457 HydrophobicContact CD1-CB 4.24Å; F422-Q457 HydrophobicContact CE1-CB 3.63Å; F422-Q457 HydrophobicContact CZ-CB 4.07Å
423	S	63.3	Low	81.4	Confident	56 Å²	56	64.1 Å²	64.1	39%	0.392	37%	0.368	S	S	.	.			trans	-55.7	135	-176.6	-173.3	0	0	0	0	111.1	F415 Q425	F415-S423 PolarHBondContact O-N 3.33Å; S423-Q425 PolarHBondContact O-N 3.03Å; S423-Q425 WeakPolarHBondContact OG-CG 3.31Å
424	G	62	Low	80.4	Confident	87 Å²	87	68.9 Å²	68.9	90%	0.897	39%	0.393	S	S	*	.	S	Bend	trans	-65.5	-2.3	176	0	0	0	0	0	114.8	F422	F422-G424 PolarHBondContact O-N 2.81Å
425	Q	70.7	Confident	79.1	Confident	106 Å²	106	70.7 Å²	70.7	50%	0.495	40%	0.403	S	S	.	.	S	Bend	trans	-59.1	144.2	166.8	-63.7	172.6	0.5	0	0	111	S423 R451	S423-Q425 PolarHBondContact O-N 3.03Å; S423-Q425 WeakPolarHBondContact OG-CG 3.31Å; Q425-R451 VanDerWaalsContact CB-NH1 3.28Å
426	L	81.7	Confident	77.8	Confident	142 Å²	142	75.1 Å²	75.1	74%	0.743	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-50.3	138.8	172.5	-109.1	70.5	0	0	0	111.6	R451	L426-R451 VanDerWaalsContact O-CZ 3.25Å; L426-R451 PolarHBondContact O-NH1 2.93Å; L426-R451 PolarHBondContact O-NH2 2.84Å
427	P	87.5	Confident	76.6	Confident	43 Å²	43	84.3 Å²	84.3	28%	0.279	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-58.4	145.2	171.3	25.6	-33.9	0	0	0	110.6	E412 V413 K414 S429	E412-P427 HydrophobicContact CB-CB 4.41Å; V413-P427 WeakPolarHBondContact O-CA 3.47Å; K414-P427 HydrophobicContact CG-CB 3.84Å; P427-S429 PolarHBondContact O-N 3.32Å
428	I	91	Very high	76.1	Confident	27 Å²	27	83.5 Å²	83.5	14%	0.138	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	111.7	166.7	-60.4	-177.8	0	0	0	106.4	E412 V413 F415 L448	E412-I428 CarbonylContact C-O 3.56Å; E412-I428 WeakPolarHBondContact CA-O 3.27Å; V413-I428 HydrophobicContact CB-CB 4.34Å; V413-I428 PolarHBondContact N-O 2.86Å; V413-I428 PolarHBondContact O-N 2.88Å; F415-I428 HydrophobicContact CE2-CD1 4.11Å; I428-L448 HydrophobicContact CD1-CB 4.42Å; I428-L448 HydrophobicContact CD1-CD2 4.24Å; I428-L448 WeakPolarHBondContact CD1-O 3.49Å
429	S	91.5	Very high	76.7	Confident	60 Å²	60	83.7 Å²	83.7	42%	0.42	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.4	-178.2	-165	0	0	0	0	111.5	L411 P427	L411-S429 CarbonylContact O-C 3.38Å; L411-S429 VanDerWaalsContact O-CA 3.28Å; L411-S429 WeakPolarHBondContact O-CA 3.43Å; L411-S429 PolarHBondContact O-OG 2.96Å; P427-S429 PolarHBondContact O-N 3.32Å
430	R	92.4	Very high	77.6	Confident	81 Å²	81	82.3 Å²	82.3	31%	0.306	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.6	171.3	-173.5	172.9	-178.1	171	4.8	109.8	R410 L411 F432 I445 L446	R410-R430 CarbonylContact C-O 3.6Å; R410-R430 WeakPolarHBondContact CA-O 3.44Å; L411-R430 PolarHBondContact N-O 2.79Å; L411-R430 PolarHBondContact O-N 2.85Å; R430-F432 HydrophobicContact CB-CE2 4.14Å; R430-F432 HydrophobicContact CB-CZ 4.25Å; R430-F432 HydrophobicContact CG-CE1 4.26Å; R430-F432 HydrophobicContact CG-CE2 3.92Å; R430-F432 HydrophobicContact CG-CZ 3.72Å; R430-F432 WeakPolarHBondContact O-CE2 3.42Å; R430-I445 PolarHBondContact NH1-O 3.21Å; R430-L446 HydrophobicContact CB-CD2 3.86Å; R430-L446 VanDerWaalsContact CD-CD2 3.4Å; R430-L446 HydrophobicContact CG-CD2 4.25Å
431	E	91.5	Very high	78.8	Confident	120 Å²	120	79.5 Å²	79.5	56%	0.561	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.3	171.1	-60	-158	149	0	0	111.4	R409 R410	R409-E431 WeakPolarHBondContact O-CA 3.13Å; R410-E431 HydrophobicContact CB-CG 4.33Å; R410-E431 HydrophobicContact CG-CG 4.1Å
432	F	86.3	Confident	79.9	Confident	31 Å²	31	76 Å²	76	14%	0.136	40%	0.396	C	S	.	.			trans	-124	131	-179	-60.6	-92.6	0	0	0	109.8	P408 R409 L411 R430 I444	P408-F432 VanDerWaalsContact O-CD2 3.25Å; P408-F432 WeakPolarHBondContact O-CD2 3.24Å; R409-F432 PolarHBondContact O-N 2.62Å; L411-F432 HydrophobicContact CB-CE2 4.28Å; L411-F432 HydrophobicContact CD1-CE2 3.72Å; L411-F432 HydrophobicContact CD1-CZ 3.91Å; L411-F432 HydrophobicContact CG-CE2 3.83Å; R430-F432 HydrophobicContact CB-CE2 4.14Å; R430-F432 HydrophobicContact CB-CZ 4.25Å; R430-F432 HydrophobicContact CG-CE1 4.26Å; R430-F432 HydrophobicContact CG-CE2 3.92Å; R430-F432 HydrophobicContact CG-CZ 3.72Å; R430-F432 WeakPolarHBondContact O-CE2 3.42Å; F432-I444 HydrophobicContact CD1-CD1 4.44Å; F432-I444 HydrophobicContact CE1-CD1 3.86Å; F432-I444 HydrophobicContact CE1-CG1 4.44Å; F432-I444 HydrophobicContact CE1-CG2 3.87Å; F432-I444 HydrophobicContact CZ-CD1 4.02Å; F432-I444 HydrophobicContact CZ-CG2 3.64Å
433	K	79.9	Confident	80.6	Confident	168 Å²	168	75 Å²	75	73%	0.73	40%	0.396	S	S	*	.			trans	-79	137.2	174.1	-67.8	178.2	-178.7	172.5	0	109.6	E435	K433-E435 PolarHBondContact O-N 3.06Å
434	L	73.5	Confident	81.9	Confident	100 Å²	100	72.6 Å²	72.6	52%	0.524	38%	0.379	S	S	.	.			trans	-70.8	89.1	176.2	-81.5	151.7	0	0	0	110.7	R406 A463	R406-L434 HydrophobicContact CG-CD2 4.42Å; L434-A463 HydrophobicContact CD2-CB 4.17Å
435	E	65.9	Low	83.4	Confident	97 Å²	97	70.7 Å²	70.7	45%	0.453	35%	0.348	S	S	.	.			trans	-100.6	118.5	172.9	-67.1	-158.5	-160.1	0	0	112	K433 R437	K433-E435 PolarHBondContact O-N 3.06Å; E435-R437 PolarHBondContact O-N 2.98Å; E435-R437 IonicContact OE1-NH1 2.69Å; E435-R437 WeakPolarHBondContact OE2-CD 3.46Å; E435-R437 IonicContact OE2-CZ 3.97Å; E435-R437 IonicContact OE2-NE 3.96Å; E435-R437 IonicContact OE2-NH1 3.61Å; E435-R437 PolarHBondContact OE2-NH1 3.27Å
436	N	68	Low	84.5	Confident	97 Å²	97	66 Å²	66	52%	0.519	33%	0.326	S	S	.	.			trans	-84.2	49.6	-177.9	-59.2	-14.3	0	0	0	111.9	R406	R406-N436 VanDerWaalsContact CZ-OD1 3.31Å; R406-N436 PolarHBondContact NH1-OD1 3.13Å; R406-N436 PolarHBondContact NH2-OD1 2.9Å
437	R	64.5	Low	85.2	Confident	196 Å²	196	63.9 Å²	63.9	74%	0.74	32%	0.315	S	S	*	.	S	Bend	trans	-116.3	-13.6	-165	-75	-177	171.7	151.4	-8.2	116.6	E435	E435-R437 PolarHBondContact O-N 2.98Å; E435-R437 IonicContact OE1-NH1 2.69Å; E435-R437 WeakPolarHBondContact OE2-CD 3.46Å; E435-R437 IonicContact OE2-CZ 3.97Å; E435-R437 IonicContact OE2-NE 3.96Å; E435-R437 IonicContact OE2-NH1 3.61Å; E435-R437 PolarHBondContact OE2-NH1 3.27Å
438	S	77.1	Confident	85.5	Confident	41 Å²	41	61.8 Å²	61.8	29%	0.287	30%	0.302	S	S	.	.			trans	-157.6	139.9	-177.2	37.7	0	0	0	0	112	N399 F442	N399-S438 PolarHBondContact ND2-O 3.35Å; S438-F442 VanDerWaalsContact OG-CZ 3.3Å; S438-F442 WeakPolarHBondContact OG-CZ 3.43Å
439	L	86.3	Confident	85.5	Confident	64 Å²	64	64 Å²	64	34%	0.335	32%	0.319	S	S	.	.			trans	-100	169.9	174.9	-64.5	167.8	0	0	0	109.6	I338 Y401 L402	I338-L439 HydrophobicContact CD1-CB 4.13Å; Y401-L439 HydrophobicContact CD1-CD2 3.47Å; Y401-L439 VanDerWaalsContact CD1-CD2 3.47Å; Y401-L439 HydrophobicContact CD1-CG 4.31Å; Y401-L439 HydrophobicContact CE1-CD2 3.41Å; Y401-L439 VanDerWaalsContact CE1-CD2 3.41Å; Y401-L439 HydrophobicContact CE1-CG 3.79Å; Y401-L439 HydrophobicContact CG-CD2 4.14Å; L402-L439 HydrophobicContact CD1-CD1 3.92Å; L402-L439 HydrophobicContact CD1-CD2 4.42Å; L402-L439 HydrophobicContact CG-CD2 4.23Å
440	G	88.1	Confident	85.6	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.01	32%	0.324	C	S	.	.	S	Bend	trans	102	-159.1	176.9	0	0	0	0	0	114.2	R335 S398 N399 F442	R335-G440 CarbonylContact O-C 3.55Å; R335-G440 WeakPolarHBondContact O-CA 3.43Å; S398-G440 WeakPolarHBondContact CA-O 3.27Å; N399-G440 PolarHBondContact N-O 2.05Å; G440-F442 WeakPolarHBondContact O-CD2 3.22Å; G440-F442 WeakPolarHBondContact O-CE2 3.46Å
441	V	90.2	Very high	85.5	Confident	10 Å²	10	64.7 Å²	64.7	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.7	-176.1	-172.3	0	0	0	0	111.6	A333 N334 R335 T337 F359 Y396	A333-V441 HydrophobicContact CB-CG2 4.05Å; N334-V441 VanDerWaalsContact O-CG2 3.28Å; N334-V441 WeakPolarHBondContact O-CG2 3.3Å; R335-V441 PolarHBondContact O-N 3.28Å; T337-V441 WeakPolarHBondContact O-CG2 3.49Å; F359-V441 HydrophobicContact CE1-CG2 3.83Å; F359-V441 HydrophobicContact CZ-CG2 3.75Å; Y396-V441 HydrophobicContact CD1-CG1 4.47Å
442	F	90.5	Very high	85.5	Confident	16 Å²	16	62.8 Å²	62.8	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.2	-175	-69.2	-101.5	0	0	0	110.7	V77 F79 Y396 I397 N399 L407 S438 G440	V77-F442 HydrophobicContact CG1-CD1 4.36Å; F79-F442 AromaticContact CE1-CE1 3.98Å; F79-F442 HydrophobicContact CE1-CE1 3.98Å; F79-F442 HydrophobicContact CZ-CE1 4.38Å; Y396-F442 WeakPolarHBondContact CA-O 3.15Å; I397-F442 PolarHBondContact N-O 2.89Å; I397-F442 PolarHBondContact O-N 2.99Å; N399-F442 HydrophobicContact CB-CD2 3.73Å; N399-F442 HydrophobicContact CB-CE2 3.55Å; N399-F442 HydrophobicContact CB-CZ 4.45Å; L407-F442 HydrophobicContact CD1-CB 4.38Å; L407-F442 HydrophobicContact CD1-CD1 4.34Å; L407-F442 HydrophobicContact CD1-CG 4.15Å; L407-F442 HydrophobicContact CD2-CB 3.93Å; L407-F442 HydrophobicContact CD2-CD2 4.1Å; L407-F442 HydrophobicContact CD2-CG 4.11Å; S438-F442 VanDerWaalsContact OG-CZ 3.3Å; S438-F442 WeakPolarHBondContact OG-CZ 3.43Å; G440-F442 WeakPolarHBondContact O-CD2 3.22Å; G440-F442 WeakPolarHBondContact O-CE2 3.46Å
443	S	90.1	Very high	85.8	Confident	32 Å²	32	61.3 Å²	61.3	22%	0.224	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.8	168.2	-167.2	0	0	0	0	109.4	L395	L395-S443 CarbonylContact O-C 3.54Å; L395-S443 WeakPolarHBondContact O-CA 3.05Å
444	I	91.1	Very high	86.4	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.5	174.8	-61.4	-177.1	0	0	0	108.2	R394 L395 I397 L407 L411 F432 L446	R394-I444 WeakPolarHBondContact CA-O 3.45Å; L395-I444 HydrophobicContact CB-CB 4.42Å; L395-I444 PolarHBondContact N-O 3.43Å; L395-I444 PolarHBondContact O-N 2.85Å; I397-I444 HydrophobicContact CD1-CD1 3.99Å; L407-I444 HydrophobicContact CD1-CD1 4.49Å; L407-I444 HydrophobicContact CD2-CD1 4.44Å; L411-I444 HydrophobicContact CD1-CG2 4.29Å; F432-I444 HydrophobicContact CD1-CD1 4.44Å; F432-I444 HydrophobicContact CE1-CD1 3.86Å; F432-I444 HydrophobicContact CE1-CG1 4.44Å; F432-I444 HydrophobicContact CE1-CG2 3.87Å; F432-I444 HydrophobicContact CZ-CD1 4.02Å; F432-I444 HydrophobicContact CZ-CG2 3.64Å; I444-L446 HydrophobicContact CG2-CD2 4.24Å
445	I	93.5	Very high	87.4	Confident	47 Å²	47	51.9 Å²	51.9	24%	0.241	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.9	174.4	-46.5	-173	0	0	0	109	R392 L393 R394 R430	R392-I445 HydrophobicContact CB-CG2 4.32Å; L393-I445 WeakPolarHBondContact O-CA 3.47Å; R394-I445 HydrophobicContact CG-CG1 4.2Å; R394-I445 HydrophobicContact CG-CG2 4.24Å; R430-I445 PolarHBondContact NH1-O 3.21Å
446	L	94.3	Very high	88.8	Confident	7 Å²	7	47.3 Å²	47.3	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.8	169.3	-58.6	-177	0	0	0	109.3	R392 L393 L411 V413 R430 I444 L448	R392-L446 CarbonylContact C-O 3.1Å; R392-L446 WeakPolarHBondContact CA-O 3.11Å; R392-L446 WeakPolarHBondContact CB-O 3.23Å; L393-L446 HydrophobicContact CB-CB 4.35Å; L393-L446 HydrophobicContact CD2-CD1 4.32Å; L393-L446 PolarHBondContact N-O 3.34Å; L393-L446 PolarHBondContact O-N 3.48Å; L411-L446 HydrophobicContact CB-CD1 4.24Å; L411-L446 HydrophobicContact CD1-CD1 3.97Å; L411-L446 HydrophobicContact CD1-CD2 4.43Å; L411-L446 HydrophobicContact CD1-CG 4.49Å; V413-L446 HydrophobicContact CG2-CD1 3.94Å; R430-L446 HydrophobicContact CB-CD2 3.86Å; R430-L446 VanDerWaalsContact CD-CD2 3.4Å; R430-L446 HydrophobicContact CG-CD2 4.25Å; I444-L446 HydrophobicContact CG2-CD2 4.24Å; L446-L448 HydrophobicContact CB-CD2 4.38Å
447	D	95.1	Very high	90.1	Very high	97 Å²	97	43.7 Å²	43.7	52%	0.519	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.1	165.3	-169.5	-60.5	0	0	0	108.4	S449	D447-S449 VanDerWaalsContact OD1-CA 3.26Å; D447-S449 WeakPolarHBondContact OD1-CA 3.11Å; D447-S449 PolarHBondContact OD1-N 3.18Å; D447-S449 PolarHBondContact OD1-OG 2.81Å
448	L	94.5	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	6.4	179.9	-64.6	-169.8	0	0	0	113.4	F390 T391 L393 V413 F415 I428 L446 H450 R451	F390-L448 HydrophobicContact CB-CB 3.98Å; F390-L448 HydrophobicContact CB-CD1 3.74Å; F390-L448 HydrophobicContact CD1-CD1 4.43Å; F390-L448 HydrophobicContact CG-CD1 4.39Å; F390-L448 CarbonylContact O-C 3.49Å; F390-L448 WeakPolarHBondContact O-CB 3.41Å; T391-L448 PolarHBondContact O-N 2.83Å; L393-L448 HydrophobicContact CB-CD1 3.76Å; L393-L448 HydrophobicContact CB-CD2 4.04Å; L393-L448 HydrophobicContact CB-CG 3.99Å; V413-L448 HydrophobicContact CB-CD2 4.31Å; V413-L448 HydrophobicContact CG1-CD2 4.11Å; V413-L448 HydrophobicContact CG2-CD2 4.18Å; F415-L448 HydrophobicContact CE1-CD1 4.21Å; F415-L448 HydrophobicContact CZ-CB 4.1Å; F415-L448 HydrophobicContact CZ-CD1 3.91Å; F415-L448 HydrophobicContact CZ-CD2 4.08Å; F415-L448 HydrophobicContact CZ-CG 4.24Å; I428-L448 HydrophobicContact CD1-CB 4.42Å; I428-L448 HydrophobicContact CD1-CD2 4.24Å; I428-L448 WeakPolarHBondContact CD1-O 3.49Å; L446-L448 HydrophobicContact CB-CD2 4.38Å; L448-H450 PolarHBondContact O-N 2.94Å; L448-R451 WeakPolarHBondContact O-CG 3.3Å; L448-R451 PolarHBondContact O-N 3.48Å
449	S	92.2	Very high	92.5	Very high	72 Å²	72	34.3 Å²	34.3	50%	0.503	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55	34.9	169	-49.1	0	0	0	0	114.4	D447 R451	D447-S449 VanDerWaalsContact OD1-CA 3.26Å; D447-S449 WeakPolarHBondContact OD1-CA 3.11Å; D447-S449 PolarHBondContact OD1-N 3.18Å; D447-S449 PolarHBondContact OD1-OG 2.81Å; S449-R451 PolarHBondContact O-N 2.68Å
450	H	92.2	Very high	92.9	Very high	110 Å²	110	31.2 Å²	31.2	51%	0.509	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	31.4	179.6	-64.8	-67.5	0	0	0	114.6	N389 F390 T391 L448	N389-H450 VanDerWaalsContact OD1-C 3.32Å; N389-H450 WeakPolarHBondContact OD1-CA 3.48Å; N389-H450 VanDerWaalsContact OD1-CB 3.25Å; N389-H450 WeakPolarHBondContact OD1-CB 3.1Å; N389-H450 PolarHBondContact OD1-ND1 3.4Å; N389-H450 PolarHBondContact OD1-O 2.86Å; F390-H450 WeakPolarHBondContact O-CA 3.34Å; F390-H450 PolarHBondContact O-N 3.22Å; T391-H450 VanDerWaalsContact CG2-CE1 3.46Å; T391-H450 WeakPolarHBondContact CG2-CE1 3.42Å; T391-H450 PolarHBondContact OG1-CE1 2.86Å; T391-H450 VanDerWaalsContact OG1-CE1 3.27Å; T391-H450 PolarHBondContact OG1-ND1 2.73Å; L448-H450 PolarHBondContact O-N 2.94Å
451	R	91.5	Very high	93.2	Very high	47 Å²	47	32.9 Å²	32.9	18%	0.177	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.6	-178.4	-71.4	-173.1	-173.1	-151.5	21.7	111.8	F390 F415 Q425 L426 L448 S449	F390-R451 WeakPolarHBondContact CD2-O 3.28Å; F390-R451 PolarHBondContact N-O 2.79Å; F390-R451 PolarHBondContact O-N 3.41Å; F415-R451 HydrophobicContact CD1-CB 4.35Å; F415-R451 HydrophobicContact CD2-CB 3.91Å; F415-R451 HydrophobicContact CD2-CG 4.45Å; F415-R451 HydrophobicContact CE1-CB 4.39Å; F415-R451 HydrophobicContact CE2-CB 3.97Å; F415-R451 HydrophobicContact CE2-CG 4.41Å; F415-R451 HydrophobicContact CG-CB 4.13Å; F415-R451 HydrophobicContact CZ-CB 4.21Å; Q425-R451 VanDerWaalsContact CB-NH1 3.28Å; L426-R451 VanDerWaalsContact O-CZ 3.25Å; L426-R451 PolarHBondContact O-NH1 2.93Å; L426-R451 PolarHBondContact O-NH2 2.84Å; L448-R451 WeakPolarHBondContact O-CG 3.3Å; L448-R451 PolarHBondContact O-N 3.48Å; S449-R451 PolarHBondContact O-N 2.68Å
452	I	91.1	Very high	93.3	Very high	80 Å²	80	32.8 Å²	32.8	41%	0.41	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.5	-175.8	-61.6	178.5	0	0	0	110.6	V387 R388 V479 I483	V387-I452 HydrophobicContact CG1-CG2 3.47Å; V387-I452 VanDerWaalsContact CG1-CG2 3.47Å; R388-I452 VanDerWaalsContact O-CA 3.27Å; R388-I452 WeakPolarHBondContact O-CA 3.34Å; I452-V479 HydrophobicContact CG2-CG2 4.26Å; I452-I483 HydrophobicContact CG2-CD1 3.97Å
453	G	91.8	Very high	93.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.6	170.4	175.1	0	0	0	0	0	113.8	V387 R388 F390 S416	V387-G453 WeakPolarHBondContact CA-O 3.2Å; R388-G453 PolarHBondContact N-O 2.86Å; R388-G453 PolarHBondContact O-N 3.43Å; F390-G453 WeakPolarHBondContact CE2-O 3.46Å; S416-G453 CarbonylContact O-C 3.57Å; S416-G453 WeakPolarHBondContact O-CA 3.46Å
454	Q	93.3	Very high	93.4	Very high	52 Å²	52	33.6 Å²	33.6	24%	0.243	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-19.4	166.7	-172.2	172.7	6.5	0	0	111.8	F384 V387 S416	F384-Q454 WeakPolarHBondContact CD2-O 3.46Å; F384-Q454 PolarHBondContact N-O 2.87Å; F384-Q454 WeakPolarHBondContact O-CG 3.38Å; F384-Q454 PolarHBondContact O-NE2 3.41Å; V387-Q454 HydrophobicContact CG2-CB 4.32Å; S416-Q454 PolarHBondContact O-N 3.04Å
455	V	94.7	Very high	93.3	Very high	18 Å²	18	34.6 Å²	34.6	11%	0.109	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.3	173.8	-179.6	0	0	0	0	109.1	F382 R383 S416 F422	F382-V455 CarbonylContact O-C 3.54Å; F382-V455 VanDerWaalsContact O-CA 3.26Å; F382-V455 WeakPolarHBondContact O-CA 3.36Å; R383-V455 HydrophobicContact CB-CG2 4.34Å; R383-V455 HydrophobicContact CG-CG2 4.21Å; S416-V455 PolarHBondContact N-O 2.79Å; S416-V455 PolarHBondContact O-N 3.47Å; F422-V455 HydrophobicContact CE1-CG1 4.29Å; F422-V455 HydrophobicContact CZ-CG1 4.1Å
456	V	95.3	Very high	93.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.8	175.9	-175.7	0	0	0	0	109	L381 F382 F384 F390 V413 K414 F415 F474	L381-V456 WeakPolarHBondContact CA-O 3.27Å; F382-V456 HydrophobicContact CB-CB 4.43Å; F382-V456 PolarHBondContact N-O 3.35Å; F382-V456 PolarHBondContact O-N 3.47Å; F384-V456 HydrophobicContact CD2-CG2 4.37Å; F384-V456 HydrophobicContact CE2-CB 4.22Å; F384-V456 HydrophobicContact CE2-CG2 3.69Å; F390-V456 HydrophobicContact CD1-CG2 4.4Å; F390-V456 HydrophobicContact CD2-CG2 4.29Å; F390-V456 HydrophobicContact CE1-CG2 3.92Å; F390-V456 HydrophobicContact CE2-CG2 3.77Å; F390-V456 HydrophobicContact CZ-CG2 3.57Å; V413-V456 HydrophobicContact CG1-CG1 3.53Å; K414-V456 WeakPolarHBondContact O-CA 3.49Å; F415-V456 HydrophobicContact CD1-CG1 4.45Å; F415-V456 HydrophobicContact CD1-CG2 3.79Å; F415-V456 HydrophobicContact CE1-CG1 4.13Å; F415-V456 HydrophobicContact CE1-CG2 3.82Å; V456-F474 HydrophobicContact CB-CE1 4.35Å; V456-F474 HydrophobicContact CG1-CE1 4.06Å
457	Q	95.2	Very high	93.2	Very high	21 Å²	21	32.5 Å²	32.5	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.7	170.2	-179.1	174.3	45.7	0	0	109.3	D379 M380 L381 V413 K414 F422 K459	D379-Q457 VanDerWaalsContact CG-NE2 3.33Å; D379-Q457 WeakPolarHBondContact OD1-CG 3.36Å; D379-Q457 PolarHBondContact OD1-NE2 2.89Å; D379-Q457 PolarHBondContact OD2-NE2 3.26Å; M380-Q457 CarbonylContact O-C 3.55Å; M380-Q457 WeakPolarHBondContact O-CA 3.32Å; L381-Q457 HydrophobicContact CD2-CB 3.6Å; L381-Q457 HydrophobicContact CD2-CG 3.77Å; V413-Q457 CarbonylContact C-O 3.54Å; V413-Q457 VanDerWaalsContact CA-O 3.27Å; V413-Q457 WeakPolarHBondContact CA-O 3.41Å; K414-Q457 HydrophobicContact CB-CB 4.27Å; K414-Q457 PolarHBondContact N-O 2.99Å; K414-Q457 PolarHBondContact O-N 2.81Å; F422-Q457 HydrophobicContact CD1-CB 4.24Å; F422-Q457 HydrophobicContact CE1-CB 3.63Å; F422-Q457 HydrophobicContact CZ-CB 4.07Å; Q457-K459 HydrophobicContact CG-CG 4.35Å
458	L	96.2	Very high	93.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.4	172.2	175.7	65.6	0	0	0	108.9	M380 F382 L393 L395 L411 E412 V413 I472	M380-L458 HydrophobicContact CB-CB 4.35Å; M380-L458 PolarHBondContact N-O 2.88Å; M380-L458 PolarHBondContact O-N 3.16Å; M380-L458 HydrophobicContact SD-CD2 4.18Å; F382-L458 HydrophobicContact CE2-CB 4.02Å; F382-L458 HydrophobicContact CE2-CD2 4.34Å; L393-L458 HydrophobicContact CD2-CD1 4.05Å; L393-L458 HydrophobicContact CD2-CD2 4.38Å; L395-L458 HydrophobicContact CD1-CD2 4.4Å; L395-L458 HydrophobicContact CD2-CD2 3.94Å; L411-L458 HydrophobicContact CD2-CD1 4.27Å; E412-L458 WeakPolarHBondContact O-CA 3.17Å; V413-L458 HydrophobicContact CG2-CD1 3.96Å; L458-I472 HydrophobicContact CD2-CD1 4.39Å
459	K	95.1	Very high	93.2	Very high	40 Å²	40	27.9 Å²	27.9	17%	0.174	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.3	173.7	-76.1	176.9	-178.5	-69.3	0	109.7	V377 V378 D379 L411 E412 Q457 F461	V377-K459 HydrophobicContact CG2-CB 3.73Å; V377-K459 HydrophobicContact CG2-CG 4.15Å; V378-K459 WeakPolarHBondContact O-CA 3.48Å; D379-K459 HydrophobicContact CB-CG 4.46Å; D379-K459 VanDerWaalsContact CG-NZ 3.34Å; D379-K459 IonicContact OD1-NZ 3.66Å; D379-K459 IonicContact OD2-NZ 2.66Å; D379-K459 PolarHBondContact OD2-NZ 3.12Å; L411-K459 WeakPolarHBondContact CA-O 3.4Å; E412-K459 HydrophobicContact CB-CB 4.24Å; E412-K459 PolarHBondContact N-O 2.97Å; E412-K459 PolarHBondContact O-N 3.17Å; Q457-K459 HydrophobicContact CG-CG 4.35Å; K459-F461 HydrophobicContact CB-CE2 3.94Å; K459-F461 HydrophobicContact CB-CZ 4.31Å; K459-F461 HydrophobicContact CD-CZ 4.48Å
460	A	95.8	Very high	93.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	113.8	179.3	0	0	0	0	0	111.1	V377 V378 P408 L411 L467 F469	V377-A460 WeakPolarHBondContact CA-O 3.25Å; V378-A460 PolarHBondContact N-O 2.97Å; V378-A460 PolarHBondContact O-N 2.85Å; P408-A460 HydrophobicContact CB-CB 4.28Å; L411-A460 HydrophobicContact CD2-CB 3.67Å; A460-L467 HydrophobicContact CB-CD2 3.88Å; A460-F469 HydrophobicContact CB-CE2 4.45Å; A460-F469 HydrophobicContact CB-CZ 4.18Å
461	F	93.8	Very high	93.4	Very high	35 Å²	35	19.3 Å²	19.3	15%	0.154	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.5	-173.5	-64.8	-93.2	0	0	0	111.1	V377 P408 R409 R410 E412 K459 A463	V377-F461 HydrophobicContact CB-CD1 3.75Å; V377-F461 HydrophobicContact CB-CE1 3.77Å; V377-F461 HydrophobicContact CB-CG 4.35Å; V377-F461 HydrophobicContact CB-CZ 4.39Å; V377-F461 HydrophobicContact CG1-CE1 4.41Å; V377-F461 HydrophobicContact CG2-CD1 3.8Å; V377-F461 HydrophobicContact CG2-CD2 4.13Å; V377-F461 HydrophobicContact CG2-CE1 3.68Å; V377-F461 HydrophobicContact CG2-CE2 4.03Å; V377-F461 HydrophobicContact CG2-CG 4.03Å; V377-F461 HydrophobicContact CG2-CZ 3.79Å; P408-F461 CarbonylContact C-O 3.33Å; P408-F461 WeakPolarHBondContact CA-O 3.5Å; R409-F461 PolarHBondContact N-O 3.38Å; R410-F461 HydrophobicContact CB-CB 4.16Å; R410-F461 HydrophobicContact CB-CD2 3.85Å; R410-F461 HydrophobicContact CB-CG 4.25Å; R410-F461 HydrophobicContact CG-CD2 4.06Å; R410-F461 HydrophobicContact CG-CE2 4.46Å; R410-F461 WeakPolarHBondContact O-CD2 3.35Å; R410-F461 PolarHBondContact O-N 2.85Å; E412-F461 HydrophobicContact CB-CE2 4.31Å; E412-F461 HydrophobicContact CG-CE2 3.95Å; K459-F461 HydrophobicContact CB-CE2 3.94Å; K459-F461 HydrophobicContact CB-CZ 4.31Å; K459-F461 HydrophobicContact CD-CZ 4.48Å; F461-A463 PolarHBondContact O-N 3.39Å
462	F	93.1	Very high	93.6	Very high	9 Å²	9	17.1 Å²	17.1	4%	0.039	9%	0.088	C	C	.	.			trans	-64.7	126.4	-173.9	-77.9	-91.7	0	0	0	112.6	W362 R364 W367 D376 V378 L467	W362-F462 HydrophobicContact CB-CE1 4.45Å; W362-F462 HydrophobicContact CB-CZ 3.87Å; W362-F462 WeakPolarHBondContact O-CE1 3.27Å; R364-F462 HydrophobicContact CB-CD1 4.09Å; R364-F462 HydrophobicContact CB-CE1 4.31Å; R364-F462 HydrophobicContact CB-CG 4.26Å; R364-F462 HydrophobicContact CG-CB 4.39Å; R364-F462 HydrophobicContact CG-CD2 4.45Å; R364-F462 HydrophobicContact CG-CG 4.25Å; R364-F462 VanDerWaalsContact CZ-CB 3.43Å; R364-F462 PolarHBondContact NH2-O 3.09Å; W367-F462 HydrophobicContact CD2-CE2 4.43Å; W367-F462 AromaticContact CE3-CE2 3.73Å; W367-F462 HydrophobicContact CE3-CE2 3.73Å; W367-F462 HydrophobicContact CE3-CZ 4.01Å; W367-F462 HydrophobicContact CH2-CE2 4.16Å; W367-F462 HydrophobicContact CH2-CZ 4.16Å; W367-F462 AromaticContact CZ3-CE2 3.6Å; W367-F462 HydrophobicContact CZ3-CE2 3.6Å; W367-F462 AromaticContact CZ3-CZ 3.51Å; W367-F462 HydrophobicContact CZ3-CZ 3.51Å; D376-F462 PolarHBondContact O-N 2.63Å; D376-F462 VanDerWaalsContact O-N 3.16Å; V378-F462 HydrophobicContact CG2-CD2 4.44Å; V378-F462 HydrophobicContact CG2-CE2 3.49Å; V378-F462 VanDerWaalsContact CG2-CE2 3.49Å; V378-F462 HydrophobicContact CG2-CZ 3.57Å; F462-L467 HydrophobicContact CD1-CB 3.86Å; F462-L467 HydrophobicContact CE1-CB 3.57Å; F462-L467 HydrophobicContact CZ-CB 4.31Å
463	A	91.7	Very high	93.7	Very high	24 Å²	24	14.5 Å²	14.5	20%	0.198	7%	0.073	C	C	.	.	S	Bend	trans	-85.8	-27.5	171.8	0	0	0	0	0	113.6	R406 L407 R409 L434 F461	R406-A463 HydrophobicContact CB-CB 3.89Å; R406-A463 HydrophobicContact CG-CB 4.45Å; L407-A463 WeakPolarHBondContact O-CB 3.09Å; R409-A463 HydrophobicContact CB-CB 3.99Å; L434-A463 HydrophobicContact CD2-CB 4.17Å; F461-A463 PolarHBondContact O-N 3.39Å
464	D	90.4	Very high	93.8	Very high	41 Å²	41	14.5 Å²	14.5	22%	0.219	7%	0.073	C	C	.	.	S	Bend	trans	-148.5	-160.7	-175.5	-155.5	-26.2	0	0	0	108.4	R364 K404 R406	R364-D464 VanDerWaalsContact CZ-O 3.28Å; R364-D464 PolarHBondContact NE-O 2.71Å; R364-D464 PolarHBondContact NH2-O 2.83Å; K404-D464 WeakPolarHBondContact CB-OD1 3.37Å; K404-D464 WeakPolarHBondContact O-CB 3.26Å; R406-D464 HydrophobicContact CB-CB 3.97Å; R406-D464 HydrophobicContact CG-CB 3.33Å; R406-D464 IonicContact NE-OD2 3.85Å; R406-D464 PolarHBondContact NE-OD2 2.98Å
465	D	89.8	Confident	93.8	Very high	26 Å²	26	14.6 Å²	14.6	14%	0.139	7%	0.073	C	C	.	.	S	Bend	trans	-71.2	-31.9	-178.4	-83.4	-29.5	0	0	0	114.2	H363 R364 K368 K404	H363-D465 PolarHBondContact CD2-O 3.03Å; R364-D465 PolarHBondContact N-O 2.91Å; K368-D465 IonicContact NZ-OD1 3.35Å; K368-D465 PolarHBondContact NZ-OD1 3.22Å; K404-D465 HydrophobicContact CB-CB 4.11Å; K404-D465 HydrophobicContact CD-CB 3.81Å; K404-D465 WeakPolarHBondContact CD-OD2 3.44Å; K404-D465 WeakPolarHBondContact CE-OD2 3.37Å; K404-D465 IonicContact NZ-OD2 3.75Å; K404-D465 PolarHBondContact NZ-OD2 3.02Å
466	W	91.5	Very high	93.7	Very high	10 Å²	10	14.6 Å²	14.6	4%	0.038	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145.9	-175.6	-80.4	95.6	0	0	0	114.8	S267 L268 A269 F304 I341 W362 H363 K404 I405 R406 L468	S267-W466 WeakPolarHBondContact O-CH2 3.35Å; L268-W466 WeakPolarHBondContact O-CH2 3.11Å; A269-W466 VanDerWaalsContact O-CZ2 3.3Å; A269-W466 WeakPolarHBondContact O-CZ2 3.38Å; F304-W466 HydrophobicContact CD2-CH2 4.13Å; F304-W466 AromaticContact CD2-CZ3 3.85Å; F304-W466 HydrophobicContact CD2-CZ3 3.85Å; F304-W466 HydrophobicContact CE2-CZ3 4.41Å; I341-W466 HydrophobicContact CD1-CB 4.24Å; I341-W466 HydrophobicContact CD1-CD2 3.96Å; I341-W466 HydrophobicContact CD1-CG 3.59Å; I341-W466 HydrophobicContact CG1-CD2 4.33Å; I341-W466 HydrophobicContact CG1-CG 4.46Å; W362-W466 VanDerWaalsContact O-CE3 3.23Å; H363-W466 HydrophobicContact CB-CD2 4.16Å; H363-W466 HydrophobicContact CB-CE3 4.24Å; H363-W466 HydrophobicContact CB-CH2 3.81Å; H363-W466 HydrophobicContact CB-CZ2 3.7Å; H363-W466 HydrophobicContact CB-CZ3 4.09Å; H363-W466 AromaticContact CD2-CD1 3.52Å; H363-W466 AromaticContact CD2-CD2 3.86Å; H363-W466 AromaticContact CD2-CE2 3.4Å; H363-W466 AromaticContact CD2-CG 3.92Å; H363-W466 AromaticContact CD2-CZ2 3.92Å; H363-W466 AromaticContact CD2-NE1 3.18Å; H363-W466 PolarHBondContact CD2-NE1 2.96Å; H363-W466 AromaticContact CG-CE2 3.84Å; H363-W466 AromaticContact CG-CZ2 3.91Å; H363-W466 AromaticContact NE2-NE1 3.72Å; K404-W466 PolarHBondContact O-N 3.28Å; K404-W466 VanDerWaalsContact O-N 3.09Å; I405-W466 HydrophobicContact CB-CB 4.31Å; I405-W466 HydrophobicContact CG1-CB 3.66Å; I405-W466 HydrophobicContact CG1-CG 4.32Å; R406-W466 PolarHBondContact N-O 2.81Å; R406-W466 VanDerWaalsContact N-O 3.14Å; W466-L468 HydrophobicContact CE3-CD2 3.85Å; W466-L468 HydrophobicContact CZ3-CD2 4.28Å
467	L	93.8	Very high	93.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	119.3	175.4	-178.2	64.3	0	0	0	109.3	G361 W362 V378 I397 R406 P408 A460 F462 F469	G361-L467 WeakPolarHBondContact CA-O 3.22Å; W362-L467 PolarHBondContact N-O 2.95Å; W362-L467 PolarHBondContact O-N 2.8Å; W362-L467 VanDerWaalsContact O-N 3.11Å; V378-L467 HydrophobicContact CG2-CD2 3.84Å; I397-L467 HydrophobicContact CG2-CD1 4.15Å; R406-L467 WeakPolarHBondContact O-CD1 3.37Å; P408-L467 HydrophobicContact CB-CD1 4.09Å; P408-L467 HydrophobicContact CG-CD1 4.35Å; A460-L467 HydrophobicContact CB-CD2 3.88Å; F462-L467 HydrophobicContact CD1-CB 3.86Å; F462-L467 HydrophobicContact CE1-CB 3.57Å; F462-L467 HydrophobicContact CZ-CB 4.31Å; L467-F469 HydrophobicContact CD1-CD2 4.49Å; L467-F469 HydrophobicContact CD1-CE2 3.89Å; L467-F469 HydrophobicContact CD2-CE2 3.97Å; L467-F469 HydrophobicContact CG-CD2 4.24Å; L467-F469 HydrophobicContact CG-CE2 3.78Å
468	L	94.5	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.7	-175.4	-55.5	-176.8	0	0	0	111.1	F304 P339 F359 G361 I397 S398 I405 W466	F304-L468 HydrophobicContact CB-CD2 4.4Å; F304-L468 HydrophobicContact CD1-CD1 4.34Å; F304-L468 HydrophobicContact CD1-CD2 4Å; F304-L468 HydrophobicContact CD2-CD2 4.08Å; F304-L468 HydrophobicContact CE1-CD1 3.86Å; F304-L468 HydrophobicContact CE1-CD2 4.26Å; F304-L468 HydrophobicContact CE2-CD2 4.33Å; F304-L468 HydrophobicContact CG-CD2 3.9Å; F304-L468 HydrophobicContact CZ-CD1 3.99Å; F304-L468 HydrophobicContact CZ-CD2 4.42Å; P339-L468 HydrophobicContact CB-CD1 3.95Å; P339-L468 HydrophobicContact CG-CD1 3.51Å; F359-L468 HydrophobicContact CB-CB 4.39Å; F359-L468 HydrophobicContact CD1-CB 4.22Å; G361-L468 VanDerWaalsContact CA-CD2 3.44Å; I397-L468 WeakPolarHBondContact CA-O 3.46Å; I397-L468 VanDerWaalsContact CG2-O 3.29Å; I397-L468 WeakPolarHBondContact CG2-O 3.34Å; S398-L468 PolarHBondContact N-O 3.14Å; I405-L468 HydrophobicContact CD1-CD1 3.57Å; I405-L468 HydrophobicContact CD1-CG 4.43Å; I405-L468 HydrophobicContact CG1-CD1 3.89Å; I405-L468 HydrophobicContact CG1-CG 4.23Å; I405-L468 HydrophobicContact CG2-CB 4.29Å; I405-L468 HydrophobicContact CG2-CD1 3.92Å; I405-L468 HydrophobicContact CG2-CG 3.9Å; W466-L468 HydrophobicContact CE3-CD2 3.85Å; W466-L468 HydrophobicContact CZ3-CD2 4.28Å
469	F	95.6	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	145.6	175.3	-76.8	-117.8	0	0	0	110.3	L327 F359 V360 W362 M380 L395 Y396 I397 A460 L467 I472	L327-F469 HydrophobicContact CD2-CB 3.69Å; F359-F469 CarbonylContact C-O 3.58Å; F359-F469 VanDerWaalsContact CA-O 3.22Å; F359-F469 WeakPolarHBondContact CA-O 3.25Å; V360-F469 PolarHBondContact N-O 3.15Å; V360-F469 PolarHBondContact O-N 2.04Å; W362-F469 HydrophobicContact CZ3-CB 4.46Å; W362-F469 AromaticContact CZ3-CD2 3.78Å; W362-F469 HydrophobicContact CZ3-CD2 3.78Å; W362-F469 HydrophobicContact CZ3-CE2 4.37Å; W362-F469 HydrophobicContact CZ3-CG 4.4Å; M380-F469 HydrophobicContact CE-CD2 4.49Å; M380-F469 HydrophobicContact CE-CE2 4.22Å; M380-F469 HydrophobicContact CE-CZ 4.35Å; L395-F469 HydrophobicContact CB-CE1 4.19Å; L395-F469 HydrophobicContact CD1-CE1 4.17Å; L395-F469 HydrophobicContact CD2-CE1 4.13Å; L395-F469 HydrophobicContact CG-CE1 4.4Å; Y396-F469 CarbonylContact O-C 3.52Å; Y396-F469 VanDerWaalsContact O-CA 3.27Å; Y396-F469 WeakPolarHBondContact O-CA 3.34Å; I397-F469 HydrophobicContact CD1-CD1 4.16Å; I397-F469 HydrophobicContact CD1-CE1 3.57Å; I397-F469 HydrophobicContact CD1-CE2 4.01Å; I397-F469 HydrophobicContact CD1-CZ 3.49Å; I397-F469 VanDerWaalsContact CD1-CZ 3.49Å; I397-F469 HydrophobicContact CG1-CD1 3.84Å; I397-F469 HydrophobicContact CG1-CD2 4.4Å; I397-F469 HydrophobicContact CG1-CE1 3.78Å; I397-F469 HydrophobicContact CG1-CE2 4.35Å; I397-F469 HydrophobicContact CG1-CG 4.18Å; I397-F469 HydrophobicContact CG1-CZ 4.06Å; A460-F469 HydrophobicContact CB-CE2 4.45Å; A460-F469 HydrophobicContact CB-CZ 4.18Å; L467-F469 HydrophobicContact CD1-CD2 4.49Å; L467-F469 HydrophobicContact CD1-CE2 3.89Å; L467-F469 HydrophobicContact CD2-CE2 3.97Å; L467-F469 HydrophobicContact CG-CD2 4.24Å; L467-F469 HydrophobicContact CG-CE2 3.78Å; F469-I472 HydrophobicContact CD1-CD1 3.8Å; F469-I472 HydrophobicContact CD1-CG1 3.88Å; F469-I472 HydrophobicContact CE1-CD1 4.12Å; F469-I472 HydrophobicContact CE1-CG1 4.4Å
470	S	93.5	Very high	92.4	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-21	173.8	57.6	0	0	0	0	114.9	A333 Q358 Y396	A333-S470 PolarHBondContact N-OG 3.27Å; Q358-S470 WeakPolarHBondContact O-CA 3.26Å; Q358-S470 WeakPolarHBondContact O-CB 3.42Å; Y396-S470 VanDerWaalsContact CB-OG 3.26Å; Y396-S470 WeakPolarHBondContact CB-OG 3.42Å; Y396-S470 PolarHBondContact O-N 3.44Å
471	E	93.8	Very high	91.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	151	173.9	175.2	140.1	-139.9	0	0	111.2	L327 L330 S332 Y396 R473	L327-E471 CarbonylContact O-C 3.52Å; L327-E471 VanDerWaalsContact O-CA 3.3Å; L327-E471 WeakPolarHBondContact O-CA 3.37Å; L330-E471 WeakPolarHBondContact CA-OE1 3.39Å; L330-E471 PolarHBondContact N-OE1 3.28Å; S332-E471 WeakPolarHBondContact CB-OE2 3.24Å; S332-E471 PolarHBondContact N-OE2 2.81Å; Y396-E471 HydrophobicContact CD2-CB 3.67Å; Y396-E471 HydrophobicContact CD2-CG 4.04Å; Y396-E471 HydrophobicContact CE2-CB 4.37Å; Y396-E471 HydrophobicContact CE2-CG 4.31Å; Y396-E471 HydrophobicContact CG-CB 4.32Å; Y396-E471 PolarHBondContact N-O 2.9Å; E471-R473 VanDerWaalsContact CD-NH2 3.35Å; E471-R473 HydrophobicContact CG-CG 3.96Å; E471-R473 IonicContact OE1-CZ 3.24Å; E471-R473 IonicContact OE1-NE 3.15Å; E471-R473 PolarHBondContact OE1-NE 3.41Å; E471-R473 IonicContact OE1-NH2 3.81Å; E471-R473 PolarHBondContact OE1-NH2 2.76Å; E471-R473 IonicContact OE2-CZ 3.17Å; E471-R473 IonicContact OE2-NE 2.67Å; E471-R473 PolarHBondContact OE2-NE 3.34Å; E471-R473 IonicContact OE2-NH2 3.05Å; E471-R473 PolarHBondContact OE2-NH2 3.17Å
472	I	95.2	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.2	179.1	-61.9	-176.3	0	0	0	108.9	L327 I328 M380 F382 L393 R394 L395 L458 F469 F474	L327-I472 HydrophobicContact CD1-CD1 4.1Å; L327-I472 PolarHBondContact O-N 2.94Å; I328-I472 HydrophobicContact CD1-CB 4.21Å; I328-I472 VanDerWaalsContact CD1-O 3.25Å; I328-I472 WeakPolarHBondContact CD1-O 3.49Å; M380-I472 HydrophobicContact SD-CD1 3.99Å; F382-I472 HydrophobicContact CE1-CG2 4.17Å; F382-I472 HydrophobicContact CZ-CD1 3.86Å; F382-I472 HydrophobicContact CZ-CG2 4.03Å; L393-I472 HydrophobicContact CD1-CG2 3.84Å; R394-I472 WeakPolarHBondContact O-CA 3.17Å; L395-I472 HydrophobicContact CD2-CB 4.21Å; L395-I472 HydrophobicContact CD2-CD1 4.33Å; L395-I472 HydrophobicContact CD2-CG1 3.88Å; L395-I472 HydrophobicContact CD2-CG2 3.79Å; L458-I472 HydrophobicContact CD2-CD1 4.39Å; F469-I472 HydrophobicContact CD1-CD1 3.8Å; F469-I472 HydrophobicContact CD1-CG1 3.88Å; F469-I472 HydrophobicContact CE1-CD1 4.12Å; F469-I472 HydrophobicContact CE1-CG1 4.4Å; I472-F474 HydrophobicContact CG2-CD2 4.48Å; I472-F474 HydrophobicContact CG2-CE2 3.65Å; I472-F474 HydrophobicContact CG2-CZ 3.89Å
473	R	92.9	Very high	89	Confident	25 Å²	25	43.6 Å²	43.6	9%	0.094	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.7	178.9	-59.6	-160.2	-164.8	167.6	15.6	114.5	D87 L330 L393 R394 E471	D87-R473 IonicContact OD2-CZ 3.19Å; D87-R473 IonicContact OD2-NH1 2.73Å; D87-R473 PolarHBondContact OD2-NH1 2.84Å; L330-R473 VanDerWaalsContact CD2-CZ 3.44Å; L393-R473 WeakPolarHBondContact CA-O 3.31Å; L393-R473 WeakPolarHBondContact CD1-O 3.35Å; R394-R473 PolarHBondContact N-O 3.49Å; R394-R473 PolarHBondContact O-N 2.8Å; E471-R473 VanDerWaalsContact CD-NH2 3.35Å; E471-R473 HydrophobicContact CG-CG 3.96Å; E471-R473 IonicContact OE1-CZ 3.24Å; E471-R473 IonicContact OE1-NE 3.15Å; E471-R473 PolarHBondContact OE1-NE 3.41Å; E471-R473 IonicContact OE1-NH2 3.81Å; E471-R473 PolarHBondContact OE1-NH2 2.76Å; E471-R473 IonicContact OE2-CZ 3.17Å; E471-R473 IonicContact OE2-NE 2.67Å; E471-R473 PolarHBondContact OE2-NE 3.34Å; E471-R473 IonicContact OE2-NH2 3.05Å; E471-R473 PolarHBondContact OE2-NH2 3.17Å
474	F	94.5	Very high	87.4	Confident	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	93.4	-168.1	-63.8	-92.9	0	0	0	113.3	D256 F382 F384 F390 R392 L393 V456 I472 S476	D256-F474 PolarHBondContact OD2-N 2.8Å; F382-F474 HydrophobicContact CB-CE2 4.45Å; F382-F474 HydrophobicContact CB-CZ 4.15Å; F382-F474 AromaticContact CD1-CE2 3.77Å; F382-F474 HydrophobicContact CD1-CE2 3.77Å; F382-F474 AromaticContact CD1-CZ 3.89Å; F382-F474 HydrophobicContact CD1-CZ 3.89Å; F382-F474 HydrophobicContact CD2-CE2 4.48Å; F382-F474 AromaticContact CD2-CZ 3.77Å; F382-F474 HydrophobicContact CD2-CZ 3.77Å; F382-F474 HydrophobicContact CE1-CE2 4.12Å; F382-F474 HydrophobicContact CE1-CZ 4.25Å; F382-F474 HydrophobicContact CE2-CZ 4.12Å; F382-F474 AromaticContact CG-CE2 3.98Å; F382-F474 HydrophobicContact CG-CE2 3.98Å; F382-F474 AromaticContact CG-CZ 3.65Å; F382-F474 HydrophobicContact CG-CZ 3.65Å; F382-F474 HydrophobicContact CZ-CZ 4.36Å; F384-F474 HydrophobicContact CE1-CB 4.22Å; F384-F474 HydrophobicContact CE1-CD2 4.23Å; F384-F474 HydrophobicContact CE1-CG 4.23Å; F384-F474 HydrophobicContact CZ-CB 4.12Å; F384-F474 AromaticContact CZ-CD1 4Å; F384-F474 HydrophobicContact CZ-CD1 4Å; F384-F474 AromaticContact CZ-CD2 3.73Å; F384-F474 HydrophobicContact CZ-CD2 3.73Å; F384-F474 HydrophobicContact CZ-CE1 4.31Å; F384-F474 HydrophobicContact CZ-CE2 4.06Å; F384-F474 AromaticContact CZ-CG 3.7Å; F384-F474 HydrophobicContact CZ-CG 3.7Å; F384-F474 HydrophobicContact CZ-CZ 4.35Å; F390-F474 HydrophobicContact CD1-CB 4.35Å; F390-F474 HydrophobicContact CD1-CD1 4.32Å; F390-F474 HydrophobicContact CE1-CB 4.3Å; F390-F474 HydrophobicContact CE1-CD1 4.32Å; R392-F474 CarbonylContact O-C 3.38Å; L393-F474 HydrophobicContact CD1-CD1 3.83Å; L393-F474 HydrophobicContact CD1-CE1 3.6Å; L393-F474 HydrophobicContact CD1-CE2 4.33Å; L393-F474 HydrophobicContact CD1-CG 4.28Å; L393-F474 HydrophobicContact CD1-CZ 3.88Å; L393-F474 HydrophobicContact CD2-CE1 4.18Å; L393-F474 HydrophobicContact CG-CE1 4.39Å; V456-F474 HydrophobicContact CB-CE1 4.35Å; V456-F474 HydrophobicContact CG1-CE1 4.06Å; I472-F474 HydrophobicContact CG2-CD2 4.48Å; I472-F474 HydrophobicContact CG2-CE2 3.65Å; I472-F474 HydrophobicContact CG2-CZ 3.89Å; F474-S476 PolarHBondContact O-N 3Å; F474-S476 PolarHBondContact O-OG 2.99Å
475	E	92.8	Very high	85.8	Confident	53 Å²	53	55 Å²	55	25%	0.248	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	109.9	170	-70.3	175.5	-121.8	0	0	110	T391 R392 R394	T391-E475 WeakPolarHBondContact CA-O 3.38Å; T391-E475 PolarHBondContact N-O 2.68Å; R392-E475 HydrophobicContact CB-CB 4.02Å; R392-E475 HydrophobicContact CB-CG 4.28Å; R392-E475 WeakPolarHBondContact CB-OE1 3.14Å; R392-E475 WeakPolarHBondContact CD-OE1 3.29Å; R392-E475 IonicContact CZ-OE2 2.73Å; R392-E475 PolarHBondContact N-O 3.3Å; R392-E475 VanDerWaalsContact N-O 3.12Å; R392-E475 IonicContact NH1-OE1 2.7Å; R392-E475 IonicContact NH1-OE2 3.7Å; R392-E475 PolarHBondContact NH1-OE2 2.96Å; R392-E475 PolarHBondContact O-N 2.7Å; R394-E475 IonicContact CZ-OE1 2.63Å; R394-E475 IonicContact NE-OE1 2.68Å; R394-E475 PolarHBondContact NE-OE1 3.18Å; R394-E475 IonicContact NH2-OE1 3.66Å; R394-E475 PolarHBondContact NH2-OE1 3.14Å; R394-E475 IonicContact NH2-OE2 3.25Å
476	S	93.6	Very high	83.7	Confident	18 Å²	18	59.3 Å²	59.3	13%	0.126	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	149.5	-172	54.8	0	0	0	0	112.9	R388 N389 F390 F474	R388-S476 PolarHBondContact NE-OG 3.47Å; R388-S476 PolarHBondContact NH2-O 3.42Å; N389-S476 CarbonylContact O-C 3.57Å; N389-S476 WeakPolarHBondContact O-CA 3.4Å; N389-S476 VanDerWaalsContact O-CB 3.26Å; N389-S476 WeakPolarHBondContact O-CB 3.27Å; F390-S476 VanDerWaalsContact CD1-CB 3.5Å; F474-S476 PolarHBondContact O-N 3Å; F474-S476 PolarHBondContact O-OG 2.99Å
477	E	92.3	Very high	81.6	Confident	139 Å²	139	65.8 Å²	65.8	65%	0.65	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.8	179.6	-65.5	-176.8	176.1	0	0	111.2	R388 N389	R388-E477 CarbonylContact C-O 3.6Å; R388-E477 VanDerWaalsContact CA-O 3.24Å; R388-E477 WeakPolarHBondContact CA-O 3.25Å; R388-E477 WeakPolarHBondContact CB-O 3.42Å; N389-E477 PolarHBondContact N-O 2.8Å; N389-E477 PolarHBondContact O-N 3.01Å
478	K	90.7	Very high	78.9	Confident	119 Å²	119	71.8 Å²	71.8	52%	0.517	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	130.2	176.7	179.7	169.2	-177.6	165	0	110.7	S386 T480	S386-K478 WeakPolarHBondContact OG-CD 3.29Å; S386-K478 VanDerWaalsContact OG-CE 3.25Å; S386-K478 WeakPolarHBondContact OG-CE 3.4Å; K478-T480 PolarHBondContact O-N 3.35Å
479	V	89.5	Confident	76.4	Confident	33 Å²	33	75.5 Å²	75.5	20%	0.2	40%	0.402	C	S	.	.			trans	-73.7	115.7	177.5	-175.9	0	0	0	0	109.5	V387 N389 I452 I483	V387-V479 HydrophobicContact CG1-CG2 4.48Å; V387-V479 PolarHBondContact O-N 3.27Å; N389-V479 HydrophobicContact CB-CG2 4.32Å; I452-V479 HydrophobicContact CG2-CG2 4.26Å; V479-I483 HydrophobicContact CB-CD1 4.47Å; V479-I483 HydrophobicContact CG1-CD1 4.06Å; V479-I483 HydrophobicContact CG1-CG1 3.89Å
480	T	82.2	Confident	73.8	Confident	134 Å²	134	81.5 Å²	81.5	82%	0.822	43%	0.432	S	S	*	.			trans	-95.8	-21.9	-179.1	52.3	0	0	0	0	113.6	K478	K478-T480 PolarHBondContact O-N 3.35Å
481	T	76.8	Confident	71.3	Confident	95 Å²	95	86.6 Å²	86.6	58%	0.583	46%	0.459	S	S	*	.	S	Bend	trans	-78.2	138.2	175.4	51.2	0	0	0	0	111	I483	T481-I483 PolarHBondContact O-N 2.55Å
482	P	67.9	Low	68.7	Low	125 Å²	125	90.9 Å²	90.9	81%	0.812	49%	0.489	S	S	*	.			trans	-61.8	114.7	173.1	26.4	-33.5	0	0	0	109.8	K484	P482-K484 PolarHBondContact O-N 3.07Å
483	I	66.4	Low	66.3	Low	70 Å²	70	98.7 Å²	98.7	36%	0.359	53%	0.525	S	S	.	.			trans	-69.5	113.8	177.4	-58.4	172.3	0	0	0	107.4	V387 I452 V479 T481 I485	V387-I483 HydrophobicContact CB-CD1 4.18Å; V387-I483 HydrophobicContact CG1-CD1 3.64Å; I452-I483 HydrophobicContact CG2-CD1 3.97Å; V479-I483 HydrophobicContact CB-CD1 4.47Å; V479-I483 HydrophobicContact CG1-CD1 4.06Å; V479-I483 HydrophobicContact CG1-CG1 3.89Å; T481-I483 PolarHBondContact O-N 2.55Å; I483-I485 VanDerWaalsContact C-N 3.26Å; I483-I485 HydrophobicContact CG2-CG1 3.94Å; I483-I485 PolarHBondContact O-N 3.31Å
484	K	56.9	Low	63.6	Low	187 Å²	187	106.5 Å²	106.5	81%	0.813	56%	0.56	S	S	*	*			trans	-67.1	93.9	158.5	-72.9	-170.7	176.7	-173.1	0	107.5	P482 D486	P482-K484 PolarHBondContact O-N 3.07Å; K484-D486 PolarHBondContact O-N 2.94Å
485	I	57.9	Low	60.8	Low	118 Å²	118	111.5 Å²	111.5	61%	0.605	60%	0.595	S	S	*	*			trans	-70.2	105.8	162.1	-58.4	176.5	0	0	0	104.5	I483 E487	I483-I485 VanDerWaalsContact C-N 3.26Å; I483-I485 HydrophobicContact CG2-CG1 3.94Å; I483-I485 PolarHBondContact O-N 3.31Å; I485-E487 VanDerWaalsContact C-N 3.32Å; I485-E487 PolarHBondContact O-N 2.79Å
486	D	45.8	Very low	57.9	Low	115 Å²	115	113.3 Å²	113.3	62%	0.615	61%	0.613	S	S	*	*			trans	-65.8	97.3	173	-80.1	-33.5	0	0	0	108.1	K484 L488 A489	K484-D486 PolarHBondContact O-N 2.94Å; D486-L488 PolarHBondContact O-N 2.86Å; D486-A489 VanDerWaalsContact O-CB 3.29Å; D486-A489 WeakPolarHBondContact O-CB 3.33Å; D486-A489 PolarHBondContact O-N 2.82Å
487	E	46.2	Very low	55	Low	146 Å²	146	119.2 Å²	119.2	68%	0.682	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-23	-176.3	-165.4	169.8	-164.5	0	0	112.3	I485 A489 M490 L491	I485-E487 VanDerWaalsContact C-N 3.32Å; I485-E487 PolarHBondContact O-N 2.79Å; E487-A489 PolarHBondContact O-N 2.84Å; E487-M490 PolarHBondContact O-N 2.97Å; E487-L491 PolarHBondContact O-N 2.81Å
488	L	38.8	Very low	52	Low	128 Å²	128	121.4 Å²	121.4	67%	0.67	65%	0.654	S	S	*	*	H	α-helix	trans	-53.5	-31.8	169	-75.3	80	0	0	0	112.9	D486 M490 L491 S492	D486-L488 PolarHBondContact O-N 2.86Å; L488-M490 VanDerWaalsContact C-N 3.25Å; L488-M490 PolarHBondContact O-N 2.87Å; L488-L491 PolarHBondContact O-N 2.84Å; L488-L491 VanDerWaalsContact O-N 3.13Å; L488-S492 WeakPolarHBondContact O-CB 3.24Å; L488-S492 PolarHBondContact O-N 2.87Å
489	A	41.7	Very low	49.2	Very low	77 Å²	77	124.4 Å²	124.4	64%	0.636	67%	0.669	S	S	*	*	H	α-helix	trans	-66.2	-25.4	176.2	0	0	0	0	0	113.2	D486 E487	D486-A489 VanDerWaalsContact O-CB 3.29Å; D486-A489 WeakPolarHBondContact O-CB 3.33Å; D486-A489 PolarHBondContact O-N 2.82Å; E487-A489 PolarHBondContact O-N 2.84Å
490	M	40.4	Very low	46.6	Very low	127 Å²	127	128.8 Å²	128.8	63%	0.626	70%	0.701	S	S	*	*	H	α-helix	trans	-91.1	-13.1	172.3	-75.6	-167.1	152.6	0	0	113.6	E487 L488	E487-M490 PolarHBondContact O-N 2.97Å; L488-M490 VanDerWaalsContact C-N 3.25Å; L488-M490 PolarHBondContact O-N 2.87Å
491	L	40.5	Very low	44.2	Very low	108 Å²	108	129.8 Å²	129.8	57%	0.565	70%	0.7	S	S	*	*	H	α-helix	trans	-93.1	-30.3	176	-63.8	172.6	0	0	0	112.6	E487 L488 E493 K494	E487-L491 PolarHBondContact O-N 2.81Å; L488-L491 PolarHBondContact O-N 2.84Å; L488-L491 VanDerWaalsContact O-N 3.13Å; L491-E493 PolarHBondContact O-N 3.37Å; L491-K494 PolarHBondContact O-N 2.85Å; L491-K494 VanDerWaalsContact O-N 3.11Å
492	S	39.2	Very low	42	Very low	91 Å²	91	132 Å²	132	64%	0.636	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-63.6	-32.9	-172	-167.7	0	0	0	0	114.8	L488 K494	L488-S492 WeakPolarHBondContact O-CB 3.24Å; L488-S492 PolarHBondContact O-N 2.87Å; S492-K494 VanDerWaalsContact C-N 3.3Å
493	E	45.1	Very low	40.6	Very low	163 Å²	163	134.7 Å²	134.7	76%	0.762	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-80	-11.3	178.2	-66.2	-168.8	147.9	0	0	113.2	L491	L491-E493 PolarHBondContact O-N 3.37Å
494	K	37.3	Very low	39.2	Very low	190 Å²	190	140.2 Å²	140.2	83%	0.826	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-89	-0.8	-175.6	-130	172.8	-173.7	174.4	0	114.1	L491 S492	L491-K494 PolarHBondContact O-N 2.85Å; L491-K494 VanDerWaalsContact O-N 3.11Å; S492-K494 VanDerWaalsContact C-N 3.3Å
495	S	33.9	Very low	38.1	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	74%	0.739	S	S	*	*	S	Bend	trans	-116.8	-6.3	-170.1	-167.3	0	0	0	0	115.1
496	S	33.5	Very low	37.2	Very low	91 Å²	91	142.4 Å²	142.4	64%	0.636	75%	0.75	S	S	*	*	S	Bend	trans	-95.4	9.1	-170.3	63.1	0	0	0	0	115.3
497	N	31.3	Very low	36.7	Very low	142 Å²	142	144.4 Å²	144.4	76%	0.759	76%	0.76	S	S	*	*	S	Bend	trans	-124.5	58.2	-174	-81.6	-26.3	0	0	0	112.8
498	H	30.7	Very low	35.9	Very low	185 Å²	185	145.1 Å²	145.1	86%	0.856	77%	0.765	S	S	*	*			trans	-165.3	156.1	156.5	-105	-68.9	0	0	0	111.5
499	Q	31.3	Very low	35.5	Very low	182 Å²	182	145.7 Å²	145.7	85%	0.85	77%	0.769	S	S	*	*			trans	68.5	81.2	167.2	-64.4	177.4	-22.3	0	0	119
500	S	34.1	Very low	35.2	Very low	124 Å²	124	149.4 Å²	149.4	87%	0.867	78%	0.784	S	S	*	*				179.7	132.2	111.5	35.7	0	0	0	0	111.5
501	I	32.6	Very low	34.6	Very low	155 Å²	155	151.3 Å²	151.3	80%	0.795	79%	0.788	S	S	*	*			trans	-151.2	147	174.2	-49.2	178.8	0	0	0	108.1
502	N	30.8	Very low	34.3	Very low	142 Å²	142	152.2 Å²	152.2	76%	0.759	79%	0.79	S	S	*	*			trans	105.2	154.7	169	-56.2	-41.7	0	0	0	116
503	E	38.4	Very low	33.9	Very low	181 Å²	181	155.9 Å²	155.9	85%	0.846	80%	0.797	S	S	*	*			trans	68.9	119.6	178.9	-62.4	162.3	-147.2	0	0	114.8
504	E	37.8	Very low	33.4	Very low	186 Å²	186	152.7 Å²	152.7	87%	0.869	79%	0.792	S	S	*	*			cis	-159.7	143.4	-11.9	-142.9	167	-158.1	0	0	109.5
505	E	32.6	Very low	33.3	Very low	196 Å²	196	150.9 Å²	150.9	92%	0.916	79%	0.792	S	S	*	*			trans	-108.4	126.5	168.4	-78.9	-169.2	125.3	0	0	109.3
506	D	39	Very low	33.5	Very low	156 Å²	156	149.8 Å²	149.8	83%	0.834	79%	0.789	S	S	*	*			trans	-159	156.3	148.5	-138.5	-23.9	0	0	0	115
507	L	34.7	Very low	33.6	Very low	157 Å²	157	152.9 Å²	152.9	82%	0.822	80%	0.798	S	S	*	*			trans	65.4	108.9	159.9	-124.8	70.3	0	0	0	122.1
508	M	30.3	Very low	33.6	Very low	160 Å²	160	155.9 Å²	155.9	79%	0.788	81%	0.805	S	S	*	*			trans	-70.1	168.5	159.7	-74.8	-174.3	165.6	0	0	113.8
509	N	29.8	Very low	34	Very low	141 Å²	141	153 Å²	153	75%	0.754	80%	0.8	S	S	*	*			trans	71.4	104.9	153.7	-61.6	-42.5	0	0	0	118.4
510	T	36.2	Very low	34.2	Very low	154 Å²	154	149.7 Å²	149.7	95%	0.945	79%	0.794	S	S	*	*				-156	-174.4	113.4	5.1	0	0	0	0	111.4
511	K	27.9	Very low	34.1	Very low	167 Å²	167	148.6 Å²	148.6	73%	0.726	79%	0.786	S	S	*	*			trans	-146.2	166.5	-157.3	-174.3	-170.4	171.4	-150.2	0	109.3
512	H	33	Very low	34.3	Very low	128 Å²	128	145.6 Å²	145.6	59%	0.593	78%	0.779	S	S	*	*			trans	84.1	125	179.6	-61.8	-84.7	0	0	0	112.8
513	E	32.4	Very low	34.6	Very low	168 Å²	168	145.6 Å²	145.6	79%	0.785	78%	0.779	S	S	*	*				77.5	128.5	59.9	178.3	178	-132.6	0	0	109.9
514	S	34.9	Very low	34.5	Very low	95 Å²	95	143.1 Å²	143.1	66%	0.664	77%	0.772	S	S	*	*			cis	-154.4	174.9	31.8	53	0	0	0	0	114.7
515	D	34.9	Very low	34.5	Very low	153 Å²	153	140.5 Å²	140.5	82%	0.818	77%	0.769	S	S	*	*			trans	35.8	151.6	143	-54.2	-28.6	0	0	0	122.3
516	A	36.9	Very low	34.6	Very low	83 Å²	83	136 Å²	136	69%	0.686	76%	0.759	S	S	*	*			cis	-162	158.6	31.3	0	0	0	0	0	115.4
517	N	35.2	Very low	34.4	Very low	155 Å²	155	133.9 Å²	133.9	83%	0.829	75%	0.751	S	S	*	*			trans	5.4	142.6	147.7	-56.9	-61.9	0	0	0	119.6
518	K	33.1	Very low	34.6	Very low	205 Å²	205	136.1 Å²	136.1	89%	0.891	76%	0.755	S	S	*	*				-175.6	150.1	70.9	-175.3	174.6	179	179.9	0	113.3
519	V	38.5	Very low	35	Very low	125 Å²	125	135.4 Å²	135.4	76%	0.758	75%	0.754	S	S	*	*			trans	-90.1	167.7	180	-143.4	0	0	0	0	112.5
520	P	35.8	Very low	35.8	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	74%	0.743	S	S	*	*				-151	149.9	92.6	39.7	-21.9	0	0	0	118.4
521	S	31.3	Very low	36.5	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	73%	0.731	S	S	*	*			trans	20.4	151.1	141.7	71.7	0	0	0	0	122.4
522	S	37.6	Very low	37.7	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	73%	0.726	S	S	*	*				-177.7	157.7	50.8	43.2	0	0	0	0	114.2
523	N	35.8	Very low	38.8	Very low	141 Å²	141	125.9 Å²	125.9	75%	0.754	72%	0.723	S	S	*	*			trans	66	146.1	145.3	-70.1	30.8	0	0	0	120.6
524	D	37.2	Very low	39.9	Very low	129 Å²	129	127.1 Å²	127.1	69%	0.69	72%	0.72	S	S	*	*			cis	-166.7	178.3	-15.6	-126.5	-37.5	0	0	0	113.8
525	T	37.3	Very low	40.9	Very low	131 Å²	131	128.9 Å²	128.9	80%	0.804	72%	0.721	S	S	*	*			trans	78.3	156.3	161.2	12.5	0	0	0	0	120.1
526	S	35.7	Very low	42.6	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	70%	0.704	S	S	*	*			trans	-168.5	174.9	-148.5	58.5	0	0	0	0	114.7
527	V	34.3	Very low	44.5	Very low	111 Å²	111	124.6 Å²	124.6	67%	0.673	70%	0.695	S	S	*	*			trans	67.9	115.5	161.4	-175.6	0	0	0	0	118.1
528	F	39.2	Very low	46.8	Very low	205 Å²	205	121.4 Å²	121.4	90%	0.899	68%	0.681	S	S	*	*				-166.7	119.8	108.1	-113.7	-75.2	0	0	0	111.7
529	D	37.3	Very low	49.1	Very low	145 Å²	145	115.6 Å²	115.6	78%	0.775	66%	0.663	S	S	*	*			trans	-91.4	133.4	173.8	-78.4	-77.5	0	0	0	111.2
530	D	46.5	Very low	51.3	Low	96 Å²	96	114 Å²	114	51%	0.513	65%	0.649	S	S	.	*			trans	-110.4	114.4	168	-172.2	-38.3	0	0	0	110.2	T532 T533	D530-T532 PolarHBondContact O-N 2.81Å; D530-T532 VanDerWaalsContact OD1-CB 3.29Å; D530-T532 WeakPolarHBondContact OD1-CB 3.21Å; D530-T532 VanDerWaalsContact OD1-CG2 3.3Å; D530-T532 WeakPolarHBondContact OD1-CG2 3.33Å; D530-T532 PolarHBondContact OD1-N 3.4Å; D530-T532 PolarHBondContact OD1-OG1 2.96Å; D530-T533 PolarHBondContact O-OG1 2.99Å
531	P	52.2	Low	53.7	Low	108 Å²	108	114 Å²	114	70%	0.701	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-13.2	-174.1	29.2	-35.7	0	0	0	114.3	T533	P531-T533 VanDerWaalsContact C-N 3.26Å; P531-T533 PolarHBondContact O-N 2.9Å
532	T	53.4	Low	56.5	Low	99 Å²	99	113.1 Å²	113.1	61%	0.607	63%	0.633	S	S	*	*	H	α-helix	trans	-65.9	-27.4	-177.4	60.4	0	0	0	0	113.2	D530	D530-T532 PolarHBondContact O-N 2.81Å; D530-T532 VanDerWaalsContact OD1-CB 3.29Å; D530-T532 WeakPolarHBondContact OD1-CB 3.21Å; D530-T532 VanDerWaalsContact OD1-CG2 3.3Å; D530-T532 WeakPolarHBondContact OD1-CG2 3.33Å; D530-T532 PolarHBondContact OD1-N 3.4Å; D530-T532 PolarHBondContact OD1-OG1 2.96Å
533	T	55.1	Low	58.9	Low	87 Å²	87	113.5 Å²	113.5	53%	0.534	63%	0.627	S	S	.	*	H	α-helix	trans	-73.7	-30.6	-174.2	58.6	0	0	0	0	114	D530 P531 S536 T537	D530-T533 PolarHBondContact O-OG1 2.99Å; P531-T533 VanDerWaalsContact C-N 3.26Å; P531-T533 PolarHBondContact O-N 2.9Å; T533-S536 WeakPolarHBondContact O-CB 3.3Å; T533-S536 PolarHBondContact O-N 3.48Å; T533-T537 PolarHBondContact O-N 3.23Å; T533-T537 PolarHBondContact O-OG1 2.9Å
534	R	54.8	Low	61.5	Low	193 Å²	193	110.5 Å²	110.5	73%	0.728	61%	0.613	S	S	*	*	H	α-helix	trans	-75.6	-26.1	-176.5	-74.6	-167.3	178.5	-121.8	2.8	114.3	T537 V538	R534-T537 PolarHBondContact O-OG1 2.87Å; R534-V538 WeakPolarHBondContact O-CG2 3.27Å; R534-V538 PolarHBondContact O-N 2.87Å
535	L	57.8	Low	64	Low	132 Å²	132	110.2 Å²	110.2	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-67	-42.2	169.5	-103.3	73.9	0	0	0	110.8	T537 V538 V539	L535-T537 PolarHBondContact O-N 3.23Å; L535-V538 PolarHBondContact O-N 3.15Å; L535-V539 WeakPolarHBondContact O-CB 3.47Å; L535-V539 VanDerWaalsContact O-CG2 3.31Å; L535-V539 WeakPolarHBondContact O-CG2 3.37Å; L535-V539 PolarHBondContact O-N 2.89Å
536	S	69.8	Low	66.6	Low	66 Å²	66	108.4 Å²	108.4	46%	0.462	60%	0.596	S	S	.	*	H	α-helix	trans	-60.2	-47.8	-178.4	-171.8	0	0	0	0	112.1	T533 V538 V539 I540	T533-S536 WeakPolarHBondContact O-CB 3.3Å; T533-S536 PolarHBondContact O-N 3.48Å; S536-V538 PolarHBondContact O-N 2.91Å; S536-V539 PolarHBondContact O-N 2.79Å; S536-I540 WeakPolarHBondContact O-CB 3.31Å; S536-I540 WeakPolarHBondContact O-CD1 3.18Å; S536-I540 VanDerWaalsContact O-CG1 3.25Å; S536-I540 WeakPolarHBondContact O-CG1 3.31Å; S536-I540 PolarHBondContact O-N 2.94Å
537	T	77.3	Confident	69.2	Low	80 Å²	80	107.6 Å²	107.6	49%	0.491	59%	0.59	S	S	.	*	H	α-helix	trans	-66.3	-36.8	179.9	48.3	0	0	0	0	113.3	T533 R534 L535 L541	T533-T537 PolarHBondContact O-N 3.23Å; T533-T537 PolarHBondContact O-OG1 2.9Å; R534-T537 PolarHBondContact O-OG1 2.87Å; L535-T537 PolarHBondContact O-N 3.23Å; T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.48Å
538	V	82.2	Confident	71.8	Confident	89 Å²	89	105.9 Å²	105.9	54%	0.539	58%	0.581	S	S	.	*	H	α-helix	trans	-67.5	-43.9	173.9	174.4	0	0	0	0	111.3	R534 L535 S536 I540 L541 V542	R534-V538 WeakPolarHBondContact O-CG2 3.27Å; R534-V538 PolarHBondContact O-N 2.87Å; L535-V538 PolarHBondContact O-N 3.15Å; S536-V538 PolarHBondContact O-N 2.91Å; V538-I540 VanDerWaalsContact C-N 3.34Å; V538-I540 PolarHBondContact O-N 3.18Å; V538-L541 PolarHBondContact O-N 2.93Å; V538-V542 HydrophobicContact CG1-CG2 4.46Å; V538-V542 WeakPolarHBondContact O-CG2 3.48Å; V538-V542 PolarHBondContact O-N 2.61Å
539	V	83	Confident	74.3	Confident	82 Å²	82	102.4 Å²	102.4	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-61.7	-41.5	176.4	168.7	0	0	0	0	111.3	L535 S536 V542 L543	L535-V539 WeakPolarHBondContact O-CB 3.47Å; L535-V539 VanDerWaalsContact O-CG2 3.31Å; L535-V539 WeakPolarHBondContact O-CG2 3.37Å; L535-V539 PolarHBondContact O-N 2.89Å; S536-V539 PolarHBondContact O-N 2.79Å; V539-V542 PolarHBondContact O-N 2.94Å; V539-L543 HydrophobicContact CG1-CD1 3.88Å; V539-L543 HydrophobicContact CG1-CG 4.43Å; V539-L543 WeakPolarHBondContact O-CB 3.24Å; V539-L543 VanDerWaalsContact O-CG 3.29Å; V539-L543 WeakPolarHBondContact O-CG 3.32Å; V539-L543 PolarHBondContact O-N 3.04Å
540	I	84.2	Confident	76.9	Confident	92 Å²	92	100.2 Å²	100.2	47%	0.472	55%	0.554	S	S	.	*	H	α-helix	trans	-62.3	-46.1	175.3	-69.7	163.5	0	0	0	111.1	S536 V538 V542 L543 V544	S536-I540 WeakPolarHBondContact O-CB 3.31Å; S536-I540 WeakPolarHBondContact O-CD1 3.18Å; S536-I540 VanDerWaalsContact O-CG1 3.25Å; S536-I540 WeakPolarHBondContact O-CG1 3.31Å; S536-I540 PolarHBondContact O-N 2.94Å; V538-I540 VanDerWaalsContact C-N 3.34Å; V538-I540 PolarHBondContact O-N 3.18Å; I540-V542 PolarHBondContact O-N 2.63Å; I540-L543 PolarHBondContact O-N 2.86Å; I540-V544 HydrophobicContact CG2-CG2 4.47Å; I540-V544 WeakPolarHBondContact O-CG2 3.41Å; I540-V544 PolarHBondContact O-N 3.13Å
541	L	85.9	Confident	79	Confident	112 Å²	112	97.8 Å²	97.8	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-63.3	-40.3	177.8	-76.4	170.4	0	0	0	112.6	T537 V538 V544 L545	T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.48Å; V538-L541 PolarHBondContact O-N 2.93Å; L541-V544 PolarHBondContact O-N 3.25Å; L541-L545 WeakPolarHBondContact O-CG 3.29Å; L541-L545 PolarHBondContact O-N 2.96Å
542	V	89.8	Confident	80.8	Confident	83 Å²	83	98.4 Å²	98.4	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-63.1	-45.6	174.4	170.7	0	0	0	0	110.8	V538 V539 I540 V544 L545 L546	V538-V542 HydrophobicContact CG1-CG2 4.46Å; V538-V542 WeakPolarHBondContact O-CG2 3.48Å; V538-V542 PolarHBondContact O-N 2.61Å; V539-V542 PolarHBondContact O-N 2.94Å; I540-V542 PolarHBondContact O-N 2.63Å; V542-V544 PolarHBondContact O-N 3Å; V542-L545 PolarHBondContact O-N 3.11Å; V542-L546 WeakPolarHBondContact O-CB 3.32Å; V542-L546 PolarHBondContact O-N 3.19Å
543	L	88.5	Confident	82.6	Confident	101 Å²	101	98.1 Å²	98.1	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-62.3	-40.5	177.1	-73.8	168.9	0	0	0	112.5	V539 I540 L546 C547	V539-L543 HydrophobicContact CG1-CD1 3.88Å; V539-L543 HydrophobicContact CG1-CG 4.43Å; V539-L543 WeakPolarHBondContact O-CB 3.24Å; V539-L543 VanDerWaalsContact O-CG 3.29Å; V539-L543 WeakPolarHBondContact O-CG 3.32Å; V539-L543 PolarHBondContact O-N 3.04Å; I540-L543 PolarHBondContact O-N 2.86Å; L543-L546 PolarHBondContact O-N 2.87Å; L543-C547 WeakPolarHBondContact O-CB 3.27Å; L543-C547 PolarHBondContact O-N 3.06Å
544	V	89.4	Confident	84.3	Confident	77 Å²	77	96.8 Å²	96.8	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-47	175.3	169.2	0	0	0	0	111	I540 L541 V542 L546 C547 C548	I540-V544 HydrophobicContact CG2-CG2 4.47Å; I540-V544 WeakPolarHBondContact O-CG2 3.41Å; I540-V544 PolarHBondContact O-N 3.13Å; L541-V544 PolarHBondContact O-N 3.25Å; V542-V544 PolarHBondContact O-N 3Å; V544-L546 VanDerWaalsContact C-N 3.32Å; V544-L546 PolarHBondContact O-N 3.32Å; V544-C547 PolarHBondContact O-N 3.18Å; V544-C548 PolarHBondContact O-N 2.95Å; V544-C548 PolarHBondContact O-SG 3.35Å
545	L	90.1	Very high	85.9	Confident	124 Å²	124	89.5 Å²	89.5	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-61.7	-39.5	176.8	-74.2	168.7	0	0	0	112.3	L541 V542 C548 F549	L541-L545 WeakPolarHBondContact O-CG 3.29Å; L541-L545 PolarHBondContact O-N 2.96Å; V542-L545 PolarHBondContact O-N 3.11Å; L545-C548 PolarHBondContact O-N 3.19Å; L545-F549 WeakPolarHBondContact O-CB 3.48Å; L545-F549 PolarHBondContact O-N 2.88Å
546	L	91.9	Very high	87.4	Confident	92 Å²	92	87.7 Å²	87.7	48%	0.482	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-42.4	177.8	-143.2	166.5	0	0	0	111.1	V542 L543 V544 F549 L550	V542-L546 WeakPolarHBondContact O-CB 3.32Å; V542-L546 PolarHBondContact O-N 3.19Å; L543-L546 PolarHBondContact O-N 2.87Å; V544-L546 VanDerWaalsContact C-N 3.32Å; V544-L546 PolarHBondContact O-N 3.32Å; L546-F549 PolarHBondContact O-N 3.18Å; L546-L550 HydrophobicContact CD2-CD1 3.6Å; L546-L550 HydrophobicContact CD2-CG 3.96Å; L546-L550 WeakPolarHBondContact O-CB 3.2Å; L546-L550 WeakPolarHBondContact O-CG 3.3Å; L546-L550 PolarHBondContact O-N 2.58Å
547	C	91	Very high	88.2	Confident	86 Å²	86	87 Å²	87	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-61.3	-43.5	171.5	-79.9	0	0	0	0	112.7	L543 V544 F549 L550 G551	L543-C547 WeakPolarHBondContact O-CB 3.27Å; L543-C547 PolarHBondContact O-N 3.06Å; V544-C547 PolarHBondContact O-N 3.18Å; C547-F549 VanDerWaalsContact C-N 3.35Å; C547-F549 PolarHBondContact O-N 2.76Å; C547-L550 PolarHBondContact O-N 3.47Å; C547-G551 PolarHBondContact O-N 3.38Å
548	C	88.4	Confident	88.8	Confident	74 Å²	74	87 Å²	87	50%	0.5	52%	0.521	S	S	.	.	H	α-helix	trans	-62.5	-41	175.6	-71	0	0	0	0	112	V544 L545 G551 L552	V544-C548 PolarHBondContact O-N 2.95Å; V544-C548 PolarHBondContact O-SG 3.35Å; L545-C548 PolarHBondContact O-N 3.19Å; C548-G551 PolarHBondContact O-N 2.93Å; C548-L552 WeakPolarHBondContact O-CG 3.27Å; C548-L552 PolarHBondContact O-N 3.34Å
549	F	91.6	Very high	88.9	Confident	133 Å²	133	89.5 Å²	89.5	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-66.2	-43.7	177.3	-169.1	-106.1	0	0	0	112	L545 L546 C547 L552 L553	L545-F549 WeakPolarHBondContact O-CB 3.48Å; L545-F549 PolarHBondContact O-N 2.88Å; L546-F549 PolarHBondContact O-N 3.18Å; C547-F549 VanDerWaalsContact C-N 3.35Å; C547-F549 PolarHBondContact O-N 2.76Å; F549-L552 PolarHBondContact O-N 2.8Å; F549-L553 HydrophobicContact CD1-CD1 3.85Å; F549-L553 HydrophobicContact CD1-CG 4.44Å; F549-L553 HydrophobicContact CE1-CD1 3.59Å; F549-L553 HydrophobicContact CE1-CG 4.25Å; F549-L553 HydrophobicContact CZ-CD1 4.29Å; F549-L553 WeakPolarHBondContact O-CG 3.5Å; F549-L553 PolarHBondContact O-N 2.83Å
550	L	92.2	Very high	89.1	Confident	99 Å²	99	88.2 Å²	88.2	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-39.5	173.8	-71.3	171	0	0	0	112.2	L546 C547 L553 A554	L546-L550 HydrophobicContact CD2-CD1 3.6Å; L546-L550 HydrophobicContact CD2-CG 3.96Å; L546-L550 WeakPolarHBondContact O-CB 3.2Å; L546-L550 WeakPolarHBondContact O-CG 3.3Å; L546-L550 PolarHBondContact O-N 2.58Å; C547-L550 PolarHBondContact O-N 3.47Å; L550-L553 PolarHBondContact O-N 2.78Å; L550-A554 WeakPolarHBondContact O-CB 3.5Å; L550-A554 PolarHBondContact O-N 2.93Å
551	G	90	Very high	89.2	Confident	44 Å²	44	88.2 Å²	88.2	45%	0.454	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-42.1	174.6	0	0	0	0	0	112.8	C547 C548 A554 G555	C547-G551 PolarHBondContact O-N 3.38Å; C548-G551 PolarHBondContact O-N 2.93Å; G551-A554 PolarHBondContact O-N 2.8Å; G551-G555 PolarHBondContact O-N 3.36Å
552	L	89.7	Confident	89.1	Confident	122 Å²	122	86.8 Å²	86.8	64%	0.639	52%	0.519	S	S	*	.	H	α-helix	trans	-65.5	-43.4	174.1	-74.5	169.8	0	0	0	112.1	C548 F549 G555 V556	C548-L552 WeakPolarHBondContact O-CG 3.27Å; C548-L552 PolarHBondContact O-N 3.34Å; F549-L552 PolarHBondContact O-N 2.8Å; L552-G555 PolarHBondContact O-N 3.36Å; L552-V556 WeakPolarHBondContact O-CB 3.29Å; L552-V556 WeakPolarHBondContact O-CG2 3.29Å; L552-V556 PolarHBondContact O-N 2.89Å
553	L	91.2	Very high	88.8	Confident	92 Å²	92	89.3 Å²	89.3	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-43.3	175.1	-72.8	176.3	0	0	0	112	F549 L550 V556 A557	F549-L553 HydrophobicContact CD1-CD1 3.85Å; F549-L553 HydrophobicContact CD1-CG 4.44Å; F549-L553 HydrophobicContact CE1-CD1 3.59Å; F549-L553 HydrophobicContact CE1-CG 4.25Å; F549-L553 HydrophobicContact CZ-CD1 4.29Å; F549-L553 WeakPolarHBondContact O-CG 3.5Å; F549-L553 PolarHBondContact O-N 2.83Å; L550-L553 PolarHBondContact O-N 2.78Å; L553-V556 PolarHBondContact O-N 3.01Å; L553-A557 VanDerWaalsContact O-CB 3.28Å; L553-A557 WeakPolarHBondContact O-CB 3.34Å; L553-A557 PolarHBondContact O-N 2.86Å
554	A	90.8	Very high	88.5	Confident	60 Å²	60	90.7 Å²	90.7	50%	0.496	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-40.8	175.2	0	0	0	0	0	112	L550 G551 A557 C558	L550-A554 WeakPolarHBondContact O-CB 3.5Å; L550-A554 PolarHBondContact O-N 2.93Å; G551-A554 PolarHBondContact O-N 2.8Å; A554-A557 PolarHBondContact O-N 2.59Å; A554-C558 VanDerWaalsContact O-CB 3.26Å; A554-C558 WeakPolarHBondContact O-CB 3.42Å; A554-C558 PolarHBondContact O-N 3.19Å
555	G	88.5	Confident	88	Confident	40 Å²	40	92.3 Å²	92.3	41%	0.412	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-47.4	175	0	0	0	0	0	112.7	G551 L552 C558 F559	G551-G555 PolarHBondContact O-N 3.36Å; L552-G555 PolarHBondContact O-N 3.36Å; G555-C558 PolarHBondContact O-N 2.82Å; G555-F559 WeakPolarHBondContact O-CB 3.5Å; G555-F559 PolarHBondContact O-N 3.26Å
556	V	89.6	Confident	87.6	Confident	93 Å²	93	95.2 Å²	95.2	56%	0.564	53%	0.529	S	S	*	.	H	α-helix	trans	-64.5	-40.1	176.1	172.1	0	0	0	0	111.3	L552 L553 S560	L552-V556 WeakPolarHBondContact O-CB 3.29Å; L552-V556 WeakPolarHBondContact O-CG2 3.29Å; L552-V556 PolarHBondContact O-N 2.89Å; L553-V556 PolarHBondContact O-N 3.01Å; V556-S560 VanDerWaalsContact O-CB 3.31Å; V556-S560 WeakPolarHBondContact O-CB 3.38Å; V556-S560 PolarHBondContact O-N 2.94Å; V556-S560 PolarHBondContact O-OG 3.44Å
557	A	87.6	Confident	87.1	Confident	53 Å²	53	96 Å²	96	44%	0.438	53%	0.529	S	S	.	.	H	α-helix	trans	-63.6	-45.8	174.6	0	0	0	0	0	112	L553 A554 S560 V561	L553-A557 VanDerWaalsContact O-CB 3.28Å; L553-A557 WeakPolarHBondContact O-CB 3.34Å; L553-A557 PolarHBondContact O-N 2.86Å; A554-A557 PolarHBondContact O-N 2.59Å; A557-S560 PolarHBondContact O-N 3.34Å; A557-V561 WeakPolarHBondContact O-CG2 3.36Å; A557-V561 PolarHBondContact O-N 2.79Å
558	C	88.5	Confident	86.5	Confident	80 Å²	80	99.8 Å²	99.8	54%	0.541	53%	0.531	S	S	.	.	H	α-helix	trans	-65.6	-42.1	178.3	-167.7	0	0	0	0	112	A554 G555 S560 V561 T562	A554-C558 VanDerWaalsContact O-CB 3.26Å; A554-C558 WeakPolarHBondContact O-CB 3.42Å; A554-C558 PolarHBondContact O-N 3.19Å; G555-C558 PolarHBondContact O-N 2.82Å; C558-S560 PolarHBondContact O-N 2.97Å; C558-V561 PolarHBondContact O-N 3.05Å; C558-T562 WeakPolarHBondContact O-CB 3.23Å; C558-T562 WeakPolarHBondContact O-CG2 3.49Å; C558-T562 PolarHBondContact O-N 2.81Å; C558-T562 PolarHBondContact O-OG1 2.81Å
559	F	85.5	Confident	85.9	Confident	141 Å²	141	100.6 Å²	100.6	62%	0.618	53%	0.527	S	S	*	.	H	α-helix	trans	-60.2	-43.3	170.7	-174.4	-96.5	0	0	0	111.8	G555 T562 W563	G555-F559 WeakPolarHBondContact O-CB 3.5Å; G555-F559 PolarHBondContact O-N 3.26Å; F559-T562 WeakPolarHBondContact CA-OG1 3.38Å; F559-T562 PolarHBondContact O-N 2.85Å; F559-T562 PolarHBondContact O-OG1 3.42Å; F559-T562 VanDerWaalsContact O-OG1 3.12Å; F559-W563 WeakPolarHBondContact O-CB 3.29Å; F559-W563 PolarHBondContact O-N 2.93Å
560	S	86.6	Confident	85.2	Confident	55 Å²	55	97.5 Å²	97.5	39%	0.385	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-44.6	178.1	-57.2	0	0	0	0	112	V556 A557 C558 M564	V556-S560 VanDerWaalsContact O-CB 3.31Å; V556-S560 WeakPolarHBondContact O-CB 3.38Å; V556-S560 PolarHBondContact O-N 2.94Å; V556-S560 PolarHBondContact O-OG 3.44Å; A557-S560 PolarHBondContact O-N 3.34Å; C558-S560 PolarHBondContact O-N 2.97Å; S560-M564 WeakPolarHBondContact O-CB 3.39Å; S560-M564 VanDerWaalsContact O-CG 3.25Å; S560-M564 WeakPolarHBondContact O-CG 3.46Å; S560-M564 PolarHBondContact O-N 3.47Å
561	V	86.1	Confident	84.4	Confident	92 Å²	92	97.1 Å²	97.1	56%	0.558	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-46.2	178.3	169.9	0	0	0	0	111.1	A557 C558 M564 H565	A557-V561 WeakPolarHBondContact O-CG2 3.36Å; A557-V561 PolarHBondContact O-N 2.79Å; C558-V561 PolarHBondContact O-N 3.05Å; V561-M564 PolarHBondContact O-N 3.24Å; V561-H565 WeakPolarHBondContact O-CB 3.42Å; V561-H565 PolarHBondContact O-N 2.68Å
562	T	84	Confident	83.6	Confident	81 Å²	81	99.4 Å²	99.4	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-67.6	-38.5	179.3	50.4	0	0	0	0	112.4	C558 F559 H565 R566	C558-T562 WeakPolarHBondContact O-CB 3.23Å; C558-T562 WeakPolarHBondContact O-CG2 3.49Å; C558-T562 PolarHBondContact O-N 2.81Å; C558-T562 PolarHBondContact O-OG1 2.81Å; F559-T562 WeakPolarHBondContact CA-OG1 3.38Å; F559-T562 PolarHBondContact O-N 2.85Å; F559-T562 PolarHBondContact O-OG1 3.42Å; F559-T562 VanDerWaalsContact O-OG1 3.12Å; T562-H565 PolarHBondContact O-N 3.35Å; T562-R566 WeakPolarHBondContact O-CB 3.34Å; T562-R566 PolarHBondContact O-N 2.82Å
563	W	82.8	Confident	82.4	Confident	137 Å²	137	101.7 Å²	101.7	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-44.3	172.4	-175.2	87	0	0	0	111.9	F559 R566 K567	F559-W563 WeakPolarHBondContact O-CB 3.29Å; F559-W563 PolarHBondContact O-N 2.93Å; W563-R566 PolarHBondContact O-N 2.79Å; W563-K567 HydrophobicContact CH2-CD 3.79Å; W563-K567 HydrophobicContact CZ2-CD 4.04Å; W563-K567 HydrophobicContact CZ3-CD 4.07Å; W563-K567 WeakPolarHBondContact O-CB 3.43Å; W563-K567 PolarHBondContact O-N 2.71Å
564	M	81.9	Confident	81.3	Confident	130 Å²	130	103.4 Å²	103.4	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-62.5	-41.8	173.8	-74.2	-124	-72.3	0	0	112.3	S560 V561 K567 R568	S560-M564 WeakPolarHBondContact O-CB 3.39Å; S560-M564 VanDerWaalsContact O-CG 3.25Å; S560-M564 WeakPolarHBondContact O-CG 3.46Å; S560-M564 PolarHBondContact O-N 3.47Å; V561-M564 PolarHBondContact O-N 3.24Å; M564-K567 PolarHBondContact O-N 3.35Å; M564-R568 VanDerWaalsContact O-CB 3.3Å; M564-R568 WeakPolarHBondContact O-CB 3.48Å; M564-R568 PolarHBondContact O-N 3.12Å
565	H	80.2	Confident	79.8	Confident	111 Å²	111	107.6 Å²	107.6	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-38.5	179.1	-139.7	-67.5	0	0	0	112.2	V561 T562 H569	V561-H565 WeakPolarHBondContact O-CB 3.42Å; V561-H565 PolarHBondContact O-N 2.68Å; T562-H565 PolarHBondContact O-N 3.35Å; H565-H569 AromaticContact CE1-NE2 3.64Å; H565-H569 AromaticContact ND1-CD2 3.61Å; H565-H569 AromaticContact ND1-NE2 3.37Å; H565-H569 PolarHBondContact ND1-NE2 2.8Å; H565-H569 PolarHBondContact O-CD2 2.76Å; H565-H569 VanDerWaalsContact O-CD2 3.28Å; H565-H569 PolarHBondContact O-N 2.54Å; H565-H569 VanDerWaalsContact O-N 3.09Å
566	R	82.1	Confident	78.4	Confident	185 Å²	185	112.7 Å²	112.7	70%	0.698	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-52.5	173	-175.1	172.3	-179.2	165.5	0.9	111.1	T562 W563 R568 H569 D570	T562-R566 WeakPolarHBondContact O-CB 3.34Å; T562-R566 PolarHBondContact O-N 2.82Å; W563-R566 PolarHBondContact O-N 2.79Å; R566-R568 PolarHBondContact O-N 2.74Å; R566-H569 PolarHBondContact O-N 2.97Å; R566-D570 PolarHBondContact O-N 2.72Å
567	K	80	Confident	76.6	Confident	109 Å²	109	114.8 Å²	114.8	47%	0.474	54%	0.543	S	S	.	.	H	α-helix	trans	-60.9	-32.3	179.3	-167.9	170.3	-175.4	176.7	0	112.9	W563 M564 L571	W563-K567 HydrophobicContact CH2-CD 3.79Å; W563-K567 HydrophobicContact CZ2-CD 4.04Å; W563-K567 HydrophobicContact CZ3-CD 4.07Å; W563-K567 WeakPolarHBondContact O-CB 3.43Å; W563-K567 PolarHBondContact O-N 2.71Å; M564-K567 PolarHBondContact O-N 3.35Å; K567-L571 PolarHBondContact O-N 3.45Å; K567-L571 VanDerWaalsContact O-N 3.13Å
568	R	79.9	Confident	75.1	Confident	164 Å²	164	116.3 Å²	116.3	62%	0.619	55%	0.547	S	S	*	.	H	α-helix	trans	-67.8	-43.5	172.1	-172.6	175.8	-176.1	155.6	5.3	112.3	M564 R566 L571 E572	M564-R568 VanDerWaalsContact O-CB 3.3Å; M564-R568 WeakPolarHBondContact O-CB 3.48Å; M564-R568 PolarHBondContact O-N 3.12Å; R566-R568 PolarHBondContact O-N 2.74Å; R568-L571 PolarHBondContact O-N 2.88Å; R568-E572 IonicContact NE-OE1 3.47Å; R568-E572 PolarHBondContact NE-OE1 3.47Å; R568-E572 PolarHBondContact O-N 3.33Å
569	H	75.7	Confident	73.2	Confident	91 Å²	91	118 Å²	118	42%	0.421	55%	0.546	S	S	.	.	H	α-helix	trans	-64.6	-37.6	174.4	-81.1	-51.9	0	0	0	113	H565 R566 E572 R573	H565-H569 AromaticContact CE1-NE2 3.64Å; H565-H569 AromaticContact ND1-CD2 3.61Å; H565-H569 AromaticContact ND1-NE2 3.37Å; H565-H569 PolarHBondContact ND1-NE2 2.8Å; H565-H569 PolarHBondContact O-CD2 2.76Å; H565-H569 VanDerWaalsContact O-CD2 3.28Å; H565-H569 PolarHBondContact O-N 2.54Å; H565-H569 VanDerWaalsContact O-N 3.09Å; R566-H569 PolarHBondContact O-N 2.97Å; H569-E572 PolarHBondContact O-N 2.77Å; H569-R573 VanDerWaalsContact O-CG 3.31Å; H569-R573 WeakPolarHBondContact O-CG 3.25Å; H569-R573 PolarHBondContact O-N 3.27Å
570	D	76.6	Confident	71.4	Confident	68 Å²	68	118.2 Å²	118.2	36%	0.364	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-41.7	177.5	-63.9	-36.6	0	0	0	110.9	R566 E572 R573 E574	R566-D570 PolarHBondContact O-N 2.72Å; D570-E572 PolarHBondContact O-N 2.86Å; D570-R573 WeakPolarHBondContact O-CB 3.44Å; D570-R573 PolarHBondContact O-N 2.87Å; D570-R573 IonicContact OD1-NH1 2.71Å; D570-E574 PolarHBondContact O-N 3.43Å
571	L	74.6	Confident	69.4	Low	92 Å²	92	119.8 Å²	119.8	48%	0.482	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-34.9	171.5	-85	162.5	0	0	0	114	K567 R568 K575	K567-L571 PolarHBondContact O-N 3.45Å; K567-L571 VanDerWaalsContact O-N 3.13Å; R568-L571 PolarHBondContact O-N 2.88Å; L571-K575 WeakPolarHBondContact O-CG 3.11Å; L571-K575 PolarHBondContact O-N 3.07Å; L571-K575 VanDerWaalsContact O-N 3.09Å
572	E	73.9	Confident	67.4	Low	91 Å²	91	120.5 Å²	120.5	43%	0.425	56%	0.555	S	S	.	*	H	α-helix	trans	-72.9	-31.9	174.5	-77.4	176.5	-165.9	0	0	112.1	R568 H569 D570 K575 H576	R568-E572 IonicContact NE-OE1 3.47Å; R568-E572 PolarHBondContact NE-OE1 3.47Å; R568-E572 PolarHBondContact O-N 3.33Å; H569-E572 PolarHBondContact O-N 2.77Å; D570-E572 PolarHBondContact O-N 2.86Å; E572-K575 PolarHBondContact O-N 3.42Å; E572-H576 PolarHBondContact O-N 3.43Å
573	R	64.7	Low	65.5	Low	171 Å²	171	121.7 Å²	121.7	65%	0.645	56%	0.557	S	S	*	*	H	α-helix	trans	-64.9	-46.3	169.6	-73.3	172.7	-171.8	-173.7	3.1	111.4	H569 D570 K575 H576 Q577	H569-R573 VanDerWaalsContact O-CG 3.31Å; H569-R573 WeakPolarHBondContact O-CG 3.25Å; H569-R573 PolarHBondContact O-N 3.27Å; D570-R573 WeakPolarHBondContact O-CB 3.44Å; D570-R573 PolarHBondContact O-N 2.87Å; D570-R573 IonicContact OD1-NH1 2.71Å; R573-K575 VanDerWaalsContact C-N 3.3Å; R573-K575 PolarHBondContact O-N 2.87Å; R573-H576 CarbonylContact O-C 3.5Å; R573-H576 PolarHBondContact O-N 3.02Å; R573-H576 VanDerWaalsContact O-N 3.15Å; R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 PolarHBondContact O-N 3.32Å
574	E	66.6	Low	63.9	Low	127 Å²	127	121.9 Å²	121.9	59%	0.593	57%	0.567	S	S	*	*	H	α-helix	trans	-57.3	-44.6	174.3	-74.1	-172.3	148.8	0	0	111.4	D570 H576 Q577 V578	D570-E574 PolarHBondContact O-N 3.43Å; E574-H576 PolarHBondContact O-N 3.21Å; E574-Q577 PolarHBondContact O-N 3.4Å; E574-V578 WeakPolarHBondContact O-CB 3.23Å; E574-V578 WeakPolarHBondContact O-CG2 3.45Å; E574-V578 PolarHBondContact O-N 2.74Å
575	K	61.2	Low	61.8	Low	149 Å²	149	124.2 Å²	124.2	65%	0.648	57%	0.568	S	S	*	*	H	α-helix	trans	-60.8	-41.8	174.5	-75.1	-178.2	177.7	-175.1	0	113	L571 E572 R573 H579	L571-K575 WeakPolarHBondContact O-CG 3.11Å; L571-K575 PolarHBondContact O-N 3.07Å; L571-K575 VanDerWaalsContact O-N 3.09Å; E572-K575 PolarHBondContact O-N 3.42Å; R573-K575 VanDerWaalsContact C-N 3.3Å; R573-K575 PolarHBondContact O-N 2.87Å; K575-H579 WeakPolarHBondContact O-CB 3.34Å; K575-H579 PolarHBondContact O-N 2.89Å
576	H	57.6	Low	59.8	Low	146 Å²	146	120.8 Å²	120.8	68%	0.676	56%	0.564	S	S	*	*	H	α-helix	trans	-72	-31.4	175.9	-90.3	34.6	0	0	0	113.5	E572 R573 E574 K580	E572-H576 PolarHBondContact O-N 3.43Å; R573-H576 CarbonylContact O-C 3.5Å; R573-H576 PolarHBondContact O-N 3.02Å; R573-H576 VanDerWaalsContact O-N 3.15Å; E574-H576 PolarHBondContact O-N 3.21Å; H576-K580 WeakPolarHBondContact O-CB 3.19Å; H576-K580 PolarHBondContact O-N 2.91Å
577	Q	52.8	Low	57.7	Low	137 Å²	137	120.8 Å²	120.8	64%	0.64	57%	0.571	S	S	*	*	H	α-helix	trans	-65.4	-51.5	173.1	-157.7	85.7	-10.4	0	0	109.5	R573 E574 H579 K580 T581	R573-Q577 WeakPolarHBondContact O-CB 3.35Å; R573-Q577 PolarHBondContact O-N 3.32Å; E574-Q577 PolarHBondContact O-N 3.4Å; Q577-H579 PolarHBondContact O-N 3.15Å; Q577-K580 PolarHBondContact O-N 3.1Å; Q577-T581 PolarHBondContact O-N 3.31Å; Q577-T581 PolarHBondContact O-OG1 2.97Å
578	V	55.1	Low	55.7	Low	86 Å²	86	123.1 Å²	123.1	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-60.9	-43	176.3	169.7	0	0	0	0	111.4	E574 K580 T581 L582	E574-V578 WeakPolarHBondContact O-CB 3.23Å; E574-V578 WeakPolarHBondContact O-CG2 3.45Å; E574-V578 PolarHBondContact O-N 2.74Å; V578-K580 PolarHBondContact O-N 3.5Å; V578-T581 PolarHBondContact O-N 2.8Å; V578-L582 HydrophobicContact CG1-CD1 3.83Å; V578-L582 WeakPolarHBondContact O-CB 3.46Å; V578-L582 PolarHBondContact O-N 2.83Å
579	H	48.6	Very low	53.5	Low	115 Å²	115	118.9 Å²	118.9	53%	0.532	59%	0.589	S	S	.	*	H	α-helix	trans	-72.9	-24.8	179.5	-153.1	-53.4	0	0	0	113.2	K575 Q577 L583	K575-H579 WeakPolarHBondContact O-CB 3.34Å; K575-H579 PolarHBondContact O-N 2.89Å; Q577-H579 PolarHBondContact O-N 3.15Å; H579-L583 WeakPolarHBondContact ND1-CD1 3.33Å; H579-L583 WeakPolarHBondContact O-CB 3.47Å; H579-L583 VanDerWaalsContact O-CG 3.25Å; H579-L583 WeakPolarHBondContact O-CG 3.38Å; H579-L583 PolarHBondContact O-N 2.82Å
580	K	47.5	Very low	51.4	Low	145 Å²	145	121.8 Å²	121.8	63%	0.63	61%	0.607	S	S	*	*	H	α-helix	trans	-72.8	-44.8	166.5	-88	-168	169	-169.3	0	112	H576 Q577 V578 L582 L583 I584	H576-K580 WeakPolarHBondContact O-CB 3.19Å; H576-K580 PolarHBondContact O-N 2.91Å; Q577-K580 PolarHBondContact O-N 3.1Å; V578-K580 PolarHBondContact O-N 3.5Å; K580-L582 PolarHBondContact O-N 3.48Å; K580-L583 PolarHBondContact O-N 3.03Å; K580-I584 WeakPolarHBondContact O-CB 3.49Å; K580-I584 WeakPolarHBondContact O-CG1 3.34Å; K580-I584 PolarHBondContact O-N 2.99Å
581	T	45.5	Very low	49.4	Very low	88 Å²	88	126.1 Å²	126.1	54%	0.54	63%	0.63	S	S	.	*	H	α-helix	trans	-66.4	-24.3	177	-53.3	0	0	0	0	112.3	Q577 V578 R585	Q577-T581 PolarHBondContact O-N 3.31Å; Q577-T581 PolarHBondContact O-OG1 2.97Å; V578-T581 PolarHBondContact O-N 2.8Å; T581-R585 VanDerWaalsContact O-CB 3.23Å; T581-R585 WeakPolarHBondContact O-CB 3.42Å
582	L	45.1	Very low	47.4	Very low	108 Å²	108	128.5 Å²	128.5	57%	0.565	65%	0.648	S	S	*	*	H	α-helix	trans	-84.2	-36.4	170.5	-82.1	165.2	0	0	0	113.6	V578 K580 R585 G586	V578-L582 HydrophobicContact CG1-CD1 3.83Å; V578-L582 WeakPolarHBondContact O-CB 3.46Å; V578-L582 PolarHBondContact O-N 2.83Å; K580-L582 PolarHBondContact O-N 3.48Å; L582-R585 CarbonylContact O-C 3.56Å; L582-R585 WeakPolarHBondContact O-CA 3.42Å; L582-R585 PolarHBondContact O-N 2.88Å; L582-R585 VanDerWaalsContact O-N 3.12Å; L582-G586 WeakPolarHBondContact O-CA 3.41Å; L582-G586 PolarHBondContact O-N 3.17Å
583	L	44.2	Very low	45.1	Very low	105 Å²	105	130.3 Å²	130.3	55%	0.55	67%	0.669	S	S	.	*	H	α-helix	trans	-69	-39.8	175.3	-78.4	168.9	0	0	0	112.1	H579 K580 R585 G586	H579-L583 WeakPolarHBondContact ND1-CD1 3.33Å; H579-L583 WeakPolarHBondContact O-CB 3.47Å; H579-L583 VanDerWaalsContact O-CG 3.25Å; H579-L583 WeakPolarHBondContact O-CG 3.38Å; H579-L583 PolarHBondContact O-N 2.82Å; K580-L583 PolarHBondContact O-N 3.03Å; L583-R585 PolarHBondContact O-N 2.91Å; L583-R585 VanDerWaalsContact O-N 3.15Å; L583-G586 PolarHBondContact O-N 2.98Å; L583-G586 VanDerWaalsContact O-N 3.12Å
584	I	47.2	Very low	43.7	Very low	142 Å²	142	128.5 Å²	128.5	73%	0.728	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-6.2	172.2	-62.2	167.7	0	0	0	111.6	K580	K580-I584 WeakPolarHBondContact O-CB 3.49Å; K580-I584 WeakPolarHBondContact O-CG1 3.34Å; K580-I584 PolarHBondContact O-N 2.99Å
585	R	39.5	Very low	42.2	Very low	178 Å²	178	128.4 Å²	128.4	67%	0.672	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	17	175	-155.6	174.2	-168.8	157.6	5.3	112.2	T581 L582 L583	T581-R585 VanDerWaalsContact O-CB 3.23Å; T581-R585 WeakPolarHBondContact O-CB 3.42Å; L582-R585 CarbonylContact O-C 3.56Å; L582-R585 WeakPolarHBondContact O-CA 3.42Å; L582-R585 PolarHBondContact O-N 2.88Å; L582-R585 VanDerWaalsContact O-N 3.12Å; L583-R585 PolarHBondContact O-N 2.91Å; L583-R585 VanDerWaalsContact O-N 3.15Å
586	G	37	Very low	40.9	Very low	40 Å²	40	128.1 Å²	128.1	41%	0.412	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.1	-21	-170.8	0	0	0	0	0	114.7	L582 L583	L582-G586 WeakPolarHBondContact O-CA 3.41Å; L582-G586 PolarHBondContact O-N 3.17Å; L583-G586 PolarHBondContact O-N 2.98Å; L583-G586 VanDerWaalsContact O-N 3.12Å
587	E	39	Very low	39.8	Very low	184 Å²	184	124.4 Å²	124.4	86%	0.86	70%	0.697	S	S	*	*	S	Bend	trans	-91	-23.2	-178.1	-64.7	-173.5	126.5	0	0	113	A589	E587-A589 PolarHBondContact O-N 2.92Å
588	D	36.8	Very low	38.9	Very low	159 Å²	159	126.2 Å²	126.2	85%	0.85	71%	0.711	S	S	*	*	S	Bend	trans	-81.4	2.2	172.1	-65.2	-46	0	0	0	113.8
589	A	34.7	Very low	37.8	Very low	74 Å²	74	133 Å²	133	61%	0.612	73%	0.727	S	S	*	*	S	Bend	trans	-108.7	30.5	-172	0	0	0	0	0	113.7	E587	E587-A589 PolarHBondContact O-N 2.92Å
590	L	32.3	Very low	37.1	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	73%	0.73	S	S	*	*			trans	-137.7	53.9	-177.1	-154.5	78.9	0	0	0	114.7
591	N	33.8	Very low	36.4	Very low	160 Å²	160	132.4 Å²	132.4	86%	0.856	74%	0.742	S	S	*	*	S	Bend	trans	-152.9	163.2	157.6	-101.6	-49	0	0	0	110.9
592	V	32	Very low	35.8	Very low	142 Å²	142	132 Å²	132	86%	0.861	75%	0.754	S	S	*	*			trans	67.8	70.1	-175.7	-164.4	0	0	0	0	114.2
593	C	25.8	Very low	35.2	Very low	128 Å²	128	134.3 Å²	134.3	87%	0.865	77%	0.768	S	S	*	*			trans	-154.3	77.7	157.9	-120.7	0	0	0	0	111.1
594	T	35.5	Very low	34.5	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	78%	0.775	S	S	*	*			trans	-162.6	159.7	171.9	7.8	0	0	0	0	110.4
595	T	35.2	Very low	33.7	Very low	125 Å²	125	134.7 Å²	134.7	77%	0.767	78%	0.775	S	S	*	*			trans	69.1	113.4	-166.7	78.1	0	0	0	0	113.2
596	T	34.8	Very low	33.2	Very low	144 Å²	144	133 Å²	133	88%	0.883	78%	0.779	S	S	*	*				70.1	121.7	53.9	69.4	0	0	0	0	114.1
597	G	33.4	Very low	32.7	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	80%	0.797	S	S	*	*			cis	163.2	174.9	-4.1	0	0	0	0	0	112.1
598	L	34.8	Very low	32.3	Very low	175 Å²	175	133.1 Å²	133.1	92%	0.916	79%	0.791	S	S	*	*			trans	71	153.9	174.8	-55.1	164	0	0	0	116.9
599	R	31	Very low	32.1	Very low	228 Å²	228	131.7 Å²	131.7	86%	0.86	79%	0.794	S	S	*	*			cis	-170.8	146.5	-31.4	-167.1	-168.9	175.2	-177.6	-1.3	110.5
600	S	33.7	Very low	32	Very low	87 Å²	87	132 Å²	132	61%	0.608	80%	0.804	S	S	*	*			trans	84.1	110.3	150.7	-164	0	0	0	0	122.6
601	N	34	Very low	32	Very low	162 Å²	162	128.6 Å²	128.6	87%	0.866	81%	0.806	S	S	*	*			trans	46	138.6	130.8	-51.3	8.1	0	0	0	123.5
602	G	33	Very low	32.1	Very low	78 Å²	78	129 Å²	129	80%	0.804	81%	0.808	S	S	*	*			trans	166.3	105.9	157.9	0	0	0	0	0	113.9
603	D	31.2	Very low	32.1	Very low	158 Å²	158	125.7 Å²	125.7	85%	0.845	80%	0.803	S	S	*	*			trans	-94.5	176.5	-175.1	-71.1	-72.9	0	0	0	115
604	V	30.6	Very low	32.4	Very low	115 Å²	115	123.3 Å²	123.3	70%	0.697	80%	0.799	S	S	*	*			trans	96.3	100.4	154	-165.1	0	0	0	0	118.8
605	N	30.2	Very low	32.1	Very low	139 Å²	139	128.5 Å²	128.5	74%	0.743	81%	0.805	S	S	*	*				16.4	145.2	127.5	-46.5	-25.9	0	0	0	120.5
606	L	27.8	Very low	31.9	Very low	144 Å²	144	127.3 Å²	127.3	75%	0.754	81%	0.808	S	S	*	*				170.2	148	100.9	-91.7	168.6	0	0	0	115.3
607	I	27.7	Very low	31.6	Very low	155 Å²	155	125.8 Å²	125.8	80%	0.795	80%	0.799	S	S	*	*			trans	69.3	120.1	147.4	-64.8	158.6	0	0	0	121.1
608	G	30.2	Very low	31.5	Very low	70 Å²	70	127.8 Å²	127.8	72%	0.722	80%	0.798	S	S	*	*				106.3	149.3	129.4	0	0	0	0	0	118.4
609	S	32.3	Very low	31.2	Very low	130 Å²	130	127.4 Å²	127.4	91%	0.909	78%	0.784	S	S	*	*			cis	-166.5	152.9	-16	-158.6	0	0	0	0	111.7
610	G	33.2	Very low	31.3	Very low	80 Å²	80	120.2 Å²	120.2	83%	0.825	77%	0.767	S	S	*	*			trans	80	149.9	179.8	0	0	0	0	0	114.3
611	G	32.3	Very low	31	Very low	81 Å²	81	122.4 Å²	122.4	84%	0.835	77%	0.772	S	S	*	*			cis	123.8	138.6	8.4	0	0	0	0	0	110.2
612	D	35.2	Very low	30.6	Very low	168 Å²	168	123 Å²	123	90%	0.898	77%	0.771	S	S	*	*			cis	-160.9	161.8	3.2	-174.2	19.2	0	0	0	110.5
613	G	32.4	Very low	30.4	Very low	73 Å²	73	128 Å²	128	75%	0.753	77%	0.767	S	S	*	*			trans	74.6	156.5	173.6	0	0	0	0	0	117
614	G	32.3	Very low	30.4	Very low	77 Å²	77	126.5 Å²	126.5	79%	0.794	77%	0.766	S	S	*	*			cis	-173.4	154.2	-5.2	0	0	0	0	0	111.4
615	Y	28.4	Very low	30.3	Very low	242 Å²	242	129.8 Å²	129.8	95%	0.949	77%	0.771	S	S	*	*			trans	-85.5	136.5	-170.4	-77.1	-104.7	0	0	0	114.8
616	A	30.6	Very low	30.1	Very low	100 Å²	100	130.1 Å²	130.1	83%	0.826	77%	0.772	S	S	*	*			trans	-161.2	104.1	151.4	0	0	0	0	0	112.8
617	T	29.1	Very low	30.1	Very low	113 Å²	113	130.5 Å²	130.5	69%	0.693	77%	0.774	S	S	*	*			trans	-92.1	112.4	171.2	49.2	0	0	0	0	111.2
618	V	30.9	Very low	30	Very low	109 Å²	109	128.9 Å²	128.9	66%	0.661	78%	0.777	S	S	*	*			trans	-159.8	101.3	176	121.5	0	0	0	0	113.5	N799	V618-N799 VanDerWaalsContact C-OD1 3.31Å; V618-N799 VanDerWaalsContact CA-CG 3.45Å; V618-N799 WeakPolarHBondContact CA-ND2 3.31Å; V618-N799 WeakPolarHBondContact CA-OD1 3.4Å; V618-N799 WeakPolarHBondContact CB-ND2 3.14Å; V618-N799 WeakPolarHBondContact CG1-ND2 3.3Å; V618-N799 HydrophobicContact CG2-CB 3.94Å; V618-N799 WeakPolarHBondContact CG2-ND2 3.33Å
619	R	29.6	Very low	30	Very low	167 Å²	167	130.3 Å²	130.3	63%	0.63	78%	0.782	S	S	*	*			trans	-58.6	149.9	176.2	-81.7	-174.8	177.3	165.5	-14.7	114.4	T798 N799 N800	R619-T798 VanDerWaalsContact O-CB 3.26Å; R619-T798 WeakPolarHBondContact O-CB 3.23Å; R619-N799 VanDerWaalsContact N-CG 3.31Å; R619-N799 PolarHBondContact N-ND2 3.03Å; R619-N799 PolarHBondContact N-OD1 3.35Å; R619-N799 PolarHBondContact O-ND2 3.25Å; R619-N800 VanDerWaalsContact CD-OD1 3.24Å; R619-N800 WeakPolarHBondContact CD-OD1 3.05Å; R619-N800 VanDerWaalsContact CZ-OD1 3.24Å; R619-N800 PolarHBondContact NE-OD1 2.93Å; R619-N800 PolarHBondContact NH1-OD1 3.4Å
620	P	31.7	Very low	29.8	Very low	77 Å²	77	127.9 Å²	127.9	50%	0.5	77%	0.77	S	S	.	*				-153.2	-147.8	71.5	44.4	-23.2	0	0	0	115	H797 T798	P620-H797 HydrophobicContact CG-CB 4.32Å; P620-T798 HydrophobicContact CG-CG2 4.14Å
621	N	27.5	Very low	29.5	Very low	132 Å²	132	130 Å²	130	71%	0.706	76%	0.756	S	S	*	*			trans	-34.5	159.8	-177.7	-66.4	3.1	0	0	0	119.1
622	M	26.5	Very low	29.3	Very low	174 Å²	174	129.7 Å²	129.7	86%	0.857	74%	0.739	S	S	*	*			trans	93.7	150.9	155.4	-159.9	162.5	150.2	0	0	116.8
623	Y	29.5	Very low	28.9	Very low	184 Å²	184	127.1 Å²	127.1	72%	0.722	72%	0.722	S	S	*	*			trans	-60.2	152.1	-177.5	-66.6	-99.1	0	0	0	113.6	L279	L279-Y623 HydrophobicContact CD1-CE2 4.27Å
624	P	31.3	Very low	28.6	Very low	126 Å²	126	129 Å²	129	82%	0.818	71%	0.714	S	S	*	*			trans	-111	115.4	139.1	33.1	-25.7	0	0	0	111
625	F	27.4	Very low	28.3	Very low	185 Å²	185	128.5 Å²	128.5	81%	0.811	71%	0.708	S	S	*	*			trans	-87.5	160.4	157.3	-150.1	-82.7	0	0	0	107.8
626	L	27.1	Very low	28.2	Very low	145 Å²	145	123.8 Å²	123.8	76%	0.759	70%	0.704	S	S	*	*			trans	105.4	149.5	159.3	-60.2	169	0	0	0	121.2
627	L	26.6	Very low	27.9	Very low	153 Å²	153	123.6 Å²	123.6	80%	0.801	70%	0.697	S	S	*	*			trans	82	75.4	144.1	-82.3	158.4	0	0	0	121
628	S	26.3	Very low	27.7	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	70%	0.703	S	S	*	*				175.3	158.1	98.6	51.3	0	0	0	0	110.6
629	A	29.8	Very low	27.5	Very low	100 Å²	100	125 Å²	125	83%	0.826	71%	0.705	S	S	*	*			cis	-130.3	169	3.5	0	0	0	0	0	112.2
630	A	27.6	Very low	27.3	Very low	79 Å²	79	124.4 Å²	124.4	65%	0.653	71%	0.714	S	S	*	*			trans	-67.2	154.6	-170.6	0	0	0	0	0	115.7
631	K	27.6	Very low	27.4	Very low	125 Å²	125	125.7 Å²	125.7	54%	0.543	72%	0.722	S	S	.	*			trans	175.4	89.3	136.1	-94.4	151.6	169.9	-74.1	0	115.6	N927	K631-N927 HydrophobicContact CB-CB 3.54Å; K631-N927 HydrophobicContact CD-CB 4.48Å; K631-N927 WeakPolarHBondContact CD-OD1 3.34Å; K631-N927 WeakPolarHBondContact CE-OD1 3.24Å; K631-N927 HydrophobicContact CG-CB 3.73Å; K631-N927 VanDerWaalsContact CG-OD1 3.28Å; K631-N927 WeakPolarHBondContact CG-OD1 3.42Å; K631-N927 PolarHBondContact NZ-ND2 2.59Å; K631-N927 PolarHBondContact NZ-OD1 2.94Å
632	P	27.3	Very low	27.2	Very low	73 Å²	73	127.2 Å²	127.2	47%	0.474	73%	0.73	S	S	.	*			trans	-61.6	-147.9	170.5	-31.7	34.7	0	0	0	120.7	N927 N928 A929	P632-N927 CarbonylContact O-C 3.59Å; P632-N927 WeakPolarHBondContact O-CA 3.27Å; P632-N927 WeakPolarHBondContact O-CB 3.2Å; P632-N928 VanDerWaalsContact C-N 3.32Å; P632-N928 WeakPolarHBondContact CD-OD1 3.28Å; P632-N928 WeakPolarHBondContact CG-OD1 3.44Å; P632-N928 PolarHBondContact O-N 2.85Å; P632-A929 HydrophobicContact CB-CB 4.03Å
633	E	27.4	Very low	27.2	Very low	114 Å²	114	122.9 Å²	122.9	53%	0.533	73%	0.73	S	S	.	*			trans	80.9	139.2	-161.1	-103.3	143.9	-130.4	0	0	114.1	N928	E633-N928 VanDerWaalsContact CB-N 3.31Å; E633-N928 WeakPolarHBondContact OE1-CA 3.48Å; E633-N928 PolarHBondContact OE1-N 3.45Å; E633-N928 VanDerWaalsContact OE1-N 3.12Å; E633-N928 PolarHBondContact OE2-N 3.08Å
634	I	25.7	Very low	26.9	Very low	114 Å²	114	118 Å²	118	59%	0.585	74%	0.736	S	S	*	*			cis	83.7	129.4	20.7	-54.4	-149.2	0	0	0	115.9	V930	I634-V930 VanDerWaalsContact CD1-CA 3.43Å; I634-V930 VanDerWaalsContact CD1-N 3.29Å
635	G	26	Very low	26.8	Very low	65 Å²	65	120.9 Å²	120.9	67%	0.67	74%	0.743	S	S	*	*			trans	122.2	86	-175.5	0	0	0	0	0	110.6
636	V	25.9	Very low	26.7	Very low	143 Å²	143	120.4 Å²	120.4	87%	0.867	74%	0.744	S	S	*	*				77.8	129.9	72.7	176.2	0	0	0	0	113.2
637	S	24.3	Very low	26.6	Very low	96 Å²	96	117.7 Å²	117.7	67%	0.671	74%	0.737	S	S	*	*			trans	-85.1	132.1	-173.7	-53.6	0	0	0	0	114.5
638	T	26	Very low	26.7	Very low	135 Å²	135	120 Å²	120	83%	0.828	74%	0.736	S	S	*	*			trans	-150.9	122.9	145.7	32.5	0	0	0	0	106.8
639	V	25.6	Very low	26.9	Very low	116 Å²	116	120.9 Å²	120.9	70%	0.703	73%	0.727	S	S	*	*			cis	85.4	107.2	42.4	-179.9	0	0	0	0	112.8
640	L	26.8	Very low	26.8	Very low	156 Å²	156	123 Å²	123	82%	0.817	72%	0.72	S	S	*	*			trans	66.5	162.8	168.9	-96.6	70.8	0	0	0	117.8
641	P	32.3	Very low	26.9	Very low	104 Å²	104	126.4 Å²	126.4	68%	0.675	73%	0.726	S	S	*	*			cis	-131.8	171.5	-15.8	34.7	-16.6	0	0	0	115.4
642	N	24.5	Very low	26.8	Very low	164 Å²	164	126.1 Å²	126.1	88%	0.877	73%	0.734	S	S	*	*			trans	12.4	121.2	145.4	-52.2	-10.7	0	0	0	119.2
643	G	26.3	Very low	26.9	Very low	82 Å²	82	129.8 Å²	129.8	85%	0.845	75%	0.749	S	S	*	*			trans	-163.6	97.2	164.4	0	0	0	0	0	112
644	G	24.4	Very low	27	Very low	83 Å²	83	129.4 Å²	129.4	86%	0.856	76%	0.758	S	S	*	*			trans	-80.6	152	171.7	0	0	0	0	0	111.5
645	L	29.1	Very low	27.3	Very low	185 Å²	185	128.2 Å²	128.2	97%	0.969	76%	0.76	S	S	*	*			trans	-127.6	128.8	171.4	-113	161.6	0	0	0	110.3
646	Q	24.4	Very low	27.6	Very low	175 Å²	175	132 Å²	132	82%	0.818	77%	0.765	S	S	*	*			trans	-116.6	168.8	-164.5	-163.1	-178.8	24	0	0	110
647	S	25	Very low	27.8	Very low	89 Å²	89	130.9 Å²	130.9	62%	0.622	76%	0.759	S	S	*	*			trans	71.5	144.4	172.4	78.7	0	0	0	0	115.6
648	Y	28.5	Very low	28.1	Very low	200 Å²	200	131 Å²	131	78%	0.784	76%	0.76	S	S	*	*				-152.4	125.2	77.2	-115.5	-103.9	0	0	0	113.4
649	H	31.1	Very low	28.3	Very low	140 Å²	140	130.1 Å²	130.1	65%	0.648	76%	0.755	S	S	*	*			trans	37.3	164.4	144.1	-65.3	-99.1	0	0	0	123.4
650	Q	26.8	Very low	28.5	Very low	146 Å²	146	132.6 Å²	132.6	68%	0.682	76%	0.758	S	S	*	*			cis	-178.2	-178.2	-34.5	-166.2	171.7	5.2	0	0	107.2
651	I	29.4	Very low	28.8	Very low	150 Å²	150	129.5 Å²	129.5	77%	0.769	75%	0.75	S	S	*	*			trans	86.4	117.6	167.3	-50.8	167.3	0	0	0	113.2
652	V	26.1	Very low	29.2	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.715	75%	0.747	S	S	*	*			cis	111.9	151	17.5	175	0	0	0	0	112.3
653	L	29.5	Very low	29.7	Very low	150 Å²	150	128.3 Å²	128.3	79%	0.785	74%	0.743	S	S	*	*			trans	86.1	110.7	-173.6	-51.7	179.3	0	0	0	113.3
654	S	28.9	Very low	30	Very low	106 Å²	106	128.9 Å²	128.9	74%	0.741	73%	0.734	S	S	*	*				84.1	146.8	57.2	78.8	0	0	0	0	112.9
655	S	33	Very low	30.4	Very low	89 Å²	89	131.4 Å²	131.4	62%	0.622	73%	0.733	S	S	*	*			cis	-168.6	157.1	24.7	57.1	0	0	0	0	114.2
656	N	31.6	Very low	30.6	Very low	144 Å²	144	126.9 Å²	126.9	77%	0.77	72%	0.716	S	S	*	*			trans	68	153.2	142.8	-64.7	3	0	0	0	119.9
657	T	31.5	Very low	31	Very low	120 Å²	120	124.5 Å²	124.5	74%	0.736	71%	0.709	S	S	*	*			cis	-155.6	166.2	-0.6	1.3	0	0	0	0	113.2
658	S	29.2	Very low	31.4	Very low	98 Å²	98	126.6 Å²	126.6	69%	0.685	71%	0.709	S	S	*	*			trans	-19.2	149.5	157.7	55	0	0	0	0	118.3
659	T	30.3	Very low	31.6	Very low	118 Å²	118	123.8 Å²	123.8	72%	0.724	70%	0.701	S	S	*	*				-164.5	171.7	58.9	48.1	0	0	0	0	110.2
660	E	30.7	Very low	31.9	Very low	168 Å²	168	123.9 Å²	123.9	79%	0.785	71%	0.706	S	S	*	*			cis	-177.3	172.6	-15.3	-101.7	-158	-116	0	0	107
661	S	31.9	Very low	32.3	Very low	90 Å²	90	121.3 Å²	121.3	63%	0.629	70%	0.704	S	S	*	*			cis	-160.4	-146	-24.8	58.3	0	0	0	0	109.4
662	P	41.7	Very low	32.4	Very low	97 Å²	97	119 Å²	119	63%	0.63	70%	0.701	S	S	*	*			trans	-133.3	-162	-135	39.5	-15.3	0	0	0	117.8
663	N	34.7	Very low	32.9	Very low	146 Å²	146	121.2 Å²	121.2	78%	0.781	70%	0.704	S	S	*	*			trans	111.1	139.3	159	-61.1	-35.1	0	0	0	117.1
664	S	31.4	Very low	33	Very low	95 Å²	95	121 Å²	121	66%	0.664	70%	0.699	S	S	*	*			cis	-176	172	-9.2	51.1	0	0	0	0	112.8
665	V	33.5	Very low	33.1	Very low	136 Å²	136	124.3 Å²	124.3	82%	0.824	70%	0.703	S	S	*	*			trans	72.6	140.4	160.7	178.3	0	0	0	0	115.9
666	S	32.8	Very low	33	Very low	89 Å²	89	124 Å²	124	62%	0.622	71%	0.706	S	S	*	*			cis	173.9	174.6	-19.8	75.1	0	0	0	0	105.4
667	N	34.3	Very low	33.1	Very low	125 Å²	125	125.8 Å²	125.8	67%	0.668	71%	0.709	S	S	*	*			cis	-165.1	147.4	13.4	-127.7	-1.7	0	0	0	111.3
668	E	32.5	Very low	32.8	Very low	134 Å²	134	127.6 Å²	127.6	63%	0.626	71%	0.714	S	S	*	*			trans	58.4	159.4	143.4	-65.3	-172.3	127.3	0	0	121.9
669	K	33.9	Very low	32.7	Very low	141 Å²	141	132.7 Å²	132.7	61%	0.613	72%	0.718	S	S	*	*			cis	-159.6	140.1	12.6	-135.3	150.7	-171	144.4	0	113.9
670	N	35.8	Very low	32.6	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	72%	0.718	S	S	*	*			trans	53.7	153	140.7	-69.6	12.4	0	0	0	123.4
671	S	35.1	Very low	32.5	Very low	91 Å²	91	132 Å²	132	64%	0.636	72%	0.715	S	S	*	*			cis	-176.7	156.1	-13.6	50.8	0	0	0	0	113.8
672	S	33.2	Very low	32.1	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	72%	0.716	S	S	*	*			trans	62.7	155.5	150	58.1	0	0	0	0	120.1
673	Q	35.1	Very low	31.5	Very low	166 Å²	166	136 Å²	136	78%	0.776	73%	0.725	S	S	*	*			cis	-170.8	175.2	-11.8	-106.6	-177.9	20.6	0	0	106.7
674	Q	32.4	Very low	31.1	Very low	145 Å²	145	133.6 Å²	133.6	68%	0.678	72%	0.72	S	S	*	*			cis	-148.9	160.1	-1.9	-109.9	179.4	41.8	0	0	105.5
675	Q	31.2	Very low	31.1	Very low	175 Å²	175	136.6 Å²	136.6	82%	0.818	73%	0.728	S	S	*	*				52.5	142.5	70.2	-67.9	-175.5	-10.8	0	0	116.6
676	A	30.1	Very low	30.8	Very low	83 Å²	83	136 Å²	136	69%	0.686	73%	0.725	S	S	*	*			cis	-169.6	-177.4	-14.3	0	0	0	0	0	111.8
677	Q	33.5	Very low	30.6	Very low	181 Å²	181	135.2 Å²	135.2	85%	0.846	73%	0.731	S	S	*	*			trans	91.6	126.5	164.7	-52.9	176	-3.7	0	0	116.5
678	L	25.3	Very low	30.1	Very low	159 Å²	159	135.9 Å²	135.9	83%	0.832	73%	0.732	S	S	*	*			cis	96	119.5	25.7	-81.9	168.8	0	0	0	116.7
679	R	26.8	Very low	30.1	Very low	204 Å²	204	137.4 Å²	137.4	77%	0.77	74%	0.743	S	S	*	*			trans	106.5	127.8	146.4	-76.2	175.7	176.8	-165.3	0.8	120.2
680	Q	28.4	Very low	29.7	Very low	156 Å²	156	136.9 Å²	136.9	73%	0.729	75%	0.745	S	S	*	*			trans	71.2	148.7	137.3	-66.7	168.3	-41.7	0	0	116.4
681	T	28.9	Very low	29.3	Very low	117 Å²	117	133.6 Å²	133.6	72%	0.718	75%	0.745	S	S	*	*			cis	-158.9	144	2.5	-4.3	0	0	0	0	111.7
682	S	24.2	Very low	29	Very low	93 Å²	93	137 Å²	137	65%	0.65	75%	0.75	S	S	*	*			trans	44.8	158.5	140.8	68	0	0	0	0	124.3
683	Q	29.4	Very low	28.8	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	76%	0.755	S	S	*	*			trans	80.5	125.5	168.5	-56	178.4	-0.5	0	0	114.9
684	S	26.3	Very low	28.6	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	75%	0.752	S	S	*	*			cis	102	109.6	19.9	77	0	0	0	0	115
685	N	30.4	Very low	28.3	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	76%	0.757	S	S	*	*			trans	-178.2	128.7	150.7	-85.4	-31.3	0	0	0	106.4
686	V	26.6	Very low	28.3	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	75%	0.754	S	S	*	*			cis	89.9	123.5	28.1	-176.3	0	0	0	0	114.1	M688	V686-M688 HydrophobicContact CG1-CE 3.9Å
687	G	29.6	Very low	28.2	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	76%	0.759	S	S	*	*			trans	139.2	98.4	179.3	0	0	0	0	0	111.4
688	M	24.7	Very low	28	Very low	138 Å²	138	134.9 Å²	134.9	68%	0.68	75%	0.75	S	S	*	*			cis	85.8	80.7	10	-156.7	-129.4	-57.9	0	0	117.5	V686 I690	V686-M688 HydrophobicContact CG1-CE 3.9Å; M688-I690 HydrophobicContact CG-CD1 4.22Å; M688-I690 HydrophobicContact SD-CD1 3.79Å
689	I	30.8	Very low	28	Very low	166 Å²	166	132.5 Å²	132.5	85%	0.851	74%	0.739	S	S	*	*			trans	-148	122.7	153.7	-54.5	-178.7	0	0	0	104.9
690	I	25.6	Very low	28	Very low	131 Å²	131	132.6 Å²	132.6	67%	0.672	74%	0.739	S	S	*	*			cis	95.4	120.5	28.5	-60.4	176.1	0	0	0	114.1	M688	M688-I690 HydrophobicContact CG-CD1 4.22Å; M688-I690 HydrophobicContact SD-CD1 3.79Å
691	G	28.9	Very low	28	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	72%	0.724	S	S	*	*			trans	143.5	85.1	173.5	0	0	0	0	0	111.8
692	Q	27.5	Very low	27.9	Very low	163 Å²	163	127.8 Å²	127.8	76%	0.762	72%	0.721	S	S	*	*				84.7	131.2	64.9	-76.1	-155.8	-2.9	0	0	116
693	Q	29.9	Very low	28.2	Very low	170 Å²	170	126.7 Å²	126.7	79%	0.794	72%	0.724	S	S	*	*			trans	71	154.7	166.1	-63.1	176.9	61.9	0	0	116.1
694	S	29.8	Very low	28.2	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	72%	0.723	S	S	*	*			cis	-144	-179.9	1.3	-147.5	0	0	0	0	113.7
695	N	27.1	Very low	28.4	Very low	145 Å²	145	127.2 Å²	127.2	78%	0.775	73%	0.73	S	S	*	*			trans	-91.7	153.7	-179.2	-59.1	-54	0	0	0	113.5
696	T	30.1	Very low	28.5	Very low	124 Å²	124	126.2 Å²	126.2	76%	0.761	72%	0.724	S	S	*	*				176.9	124.2	113.2	35.9	0	0	0	0	114.5
697	I	28.3	Very low	28.4	Very low	154 Å²	154	123.6 Å²	123.6	79%	0.79	72%	0.721	S	S	*	*				51.8	124.5	125	-61	174.1	0	0	0	118.1
698	V	28.8	Very low	28.3	Very low	110 Å²	110	125.4 Å²	125.4	67%	0.667	72%	0.72	S	S	*	*			cis	-168.9	152	1.5	92.7	0	0	0	0	112.5
699	N	26.8	Very low	28.4	Very low	109 Å²	109	122.6 Å²	122.6	58%	0.583	71%	0.714	S	S	*	*			trans	50.9	141.4	156.9	-64.6	-17.5	0	0	0	121.4
700	R	26.9	Very low	28.2	Very low	207 Å²	207	121.7 Å²	121.7	78%	0.781	71%	0.71	S	S	*	*			cis	-144.8	133	-0	-87	139	178.1	-175.3	-0.6	106.2
701	L	27.6	Very low	28.1	Very low	77 Å²	77	118 Å²	118	40%	0.403	71%	0.705	S	S	.	*				71.6	130.9	68.3	-61.5	157.7	0	0	0	113.5	C932 T933	L701-C932 HydrophobicContact CB-CB 4.2Å; L701-C932 HydrophobicContact CD1-CB 3.95Å; L701-T933 HydrophobicContact CD1-CG2 3.63Å
702	S	27.5	Very low	28	Very low	95 Å²	95	120.5 Å²	120.5	66%	0.664	71%	0.705	S	S	*	*			cis	-141.7	154.2	9.9	-53.9	0	0	0	0	111.7
703	G	29.9	Very low	28	Very low	70 Å²	70	116.6 Å²	116.6	72%	0.722	69%	0.693	S	S	*	*			trans	-170.1	127.2	171.3	0	0	0	0	0	112.4
704	D	30	Very low	27.9	Very low	151 Å²	151	111.2 Å²	111.2	81%	0.807	67%	0.674	S	S	*	*			trans	-91	130	179.9	-65.1	-46.6	0	0	0	111
705	T	30.4	Very low	27.8	Very low	132 Å²	132	114.2 Å²	114.2	81%	0.81	68%	0.677	S	S	*	*			trans	-95.8	109.6	171.8	50.9	0	0	0	0	109
706	I	31.1	Very low	27.9	Very low	137 Å²	137	111.5 Å²	111.5	70%	0.703	67%	0.666	S	S	*	*				67.2	113.1	73.1	-63.2	166.7	0	0	0	112
707	G	25.9	Very low	28.4	Very low	68 Å²	68	109.4 Å²	109.4	70%	0.701	65%	0.647	S	S	*	*	S	Bend	trans	170.8	121	168.6	0	0	0	0	0	114.3
708	P	27.4	Very low	29	Very low	112 Å²	112	104.6 Å²	104.6	73%	0.727	63%	0.63	S	S	*	*	S	Bend		-71.1	110.5	-58.3	33.2	-22.6	0	0	0	109	D710	P708-D710 VanDerWaalsContact C-N 3.32Å; P708-D710 PolarHBondContact O-N 2.77Å
709	S	25.5	Very low	29.9	Very low	79 Å²	79	105.9 Å²	105.9	55%	0.552	63%	0.627	S	S	*	*			trans	-73.9	99.1	148.7	53.2	0	0	0	0	105.4	G711	S709-G711 VanDerWaalsContact C-N 3.33Å; S709-G711 PolarHBondContact O-N 2.85Å
710	D	27.2	Very low	31.4	Very low	146 Å²	146	101 Å²	101	78%	0.781	60%	0.602	S	S	*	*			trans	-59.7	103.5	172.3	-80.8	-23.3	0	0	0	107.4	P708 V712	P708-D710 VanDerWaalsContact C-N 3.32Å; P708-D710 PolarHBondContact O-N 2.77Å; D710-V712 PolarHBondContact O-N 2.96Å
711	G	24.3	Very low	32.4	Very low	54 Å²	54	93.2 Å²	93.2	56%	0.557	58%	0.575	S	S	*	*			trans	-62.5	130	-172.6	0	0	0	0	0	108.8	S709 T713	S709-G711 VanDerWaalsContact C-N 3.33Å; S709-G711 PolarHBondContact O-N 2.85Å; G711-T713 PolarHBondContact O-N 2.78Å
712	V	26.8	Very low	33.1	Very low	124 Å²	124	94.4 Å²	94.4	75%	0.752	58%	0.582	S	S	*	*			trans	-70.4	72.7	172.8	-175.7	0	0	0	0	108.4	D710 S714	D710-V712 PolarHBondContact O-N 2.96Å; V712-S714 PolarHBondContact O-N 2.77Å; V712-S714 VanDerWaalsContact O-N 3.17Å
713	T	26.6	Very low	33.6	Very low	82 Å²	82	94.4 Å²	94.4	50%	0.503	58%	0.575	S	S	.	*			trans	-72.9	101.1	168	46.5	0	0	0	0	106.6	G711 E715 T716	G711-T713 PolarHBondContact O-N 2.78Å; T713-E715 PolarHBondContact O-N 2.83Å; T713-T716 PolarHBondContact O-OG1 3.07Å
714	S	28	Very low	33.7	Very low	57 Å²	57	97 Å²	97	40%	0.399	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	41.6	-179.9	54	0	0	0	0	113.2	N294 V712	N294-S714 PolarHBondContact ND2-O 2.79Å; V712-S714 PolarHBondContact O-N 2.77Å; V712-S714 VanDerWaalsContact O-N 3.17Å
715	E	27.5	Very low	33.8	Very low	166 Å²	166	95.9 Å²	95.9	78%	0.776	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	-7.6	-168.6	-59.6	-169.5	141	0	0	112.8	T713	T713-E715 PolarHBondContact O-N 2.83Å
716	T	30	Very low	33.7	Very low	88 Å²	88	98.4 Å²	98.4	54%	0.54	57%	0.566	S	S	.	*	S	Bend	trans	-111.1	-28	-174.8	49.9	0	0	0	0	115.9	T713 A718 F719	T713-T716 PolarHBondContact O-OG1 3.07Å; T716-A718 PolarHBondContact O-N 2.88Å; T716-A718 VanDerWaalsContact O-N 3.08Å; T716-F719 PolarHBondContact O-N 2.86Å
717	E	40.1	Very low	33.7	Very low	79 Å²	79	99.8 Å²	99.8	37%	0.369	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-69.8	-6	-175.9	-66.6	-153.5	133.1	0	0	114.8	F719	E717-F719 PolarHBondContact O-N 3.05Å
718	A	40.6	Very low	33.9	Very low	53 Å²	53	104 Å²	104	44%	0.438	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-70.2	-2.6	174	0	0	0	0	0	114.4	T716 C720 D721 N722	T716-A718 PolarHBondContact O-N 2.88Å; T716-A718 VanDerWaalsContact O-N 3.08Å; A718-C720 VanDerWaalsContact C-N 3.34Å; A718-C720 PolarHBondContact O-N 3.22Å; A718-D721 CarbonylContact O-C 3.56Å; A718-D721 WeakPolarHBondContact O-CA 3.33Å; A718-D721 PolarHBondContact O-N 3.31Å; A718-N722 PolarHBondContact O-N 3.22Å; A718-N722 VanDerWaalsContact O-N 3.09Å
719	F	48.8	Very low	34.2	Very low	138 Å²	138	105.6 Å²	105.6	61%	0.605	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-56.5	-43.8	-173.4	-127.6	-93.5	0	0	0	113.3	T716 E717 D721	T716-F719 PolarHBondContact O-N 2.86Å; E717-F719 PolarHBondContact O-N 3.05Å; F719-D721 VanDerWaalsContact C-N 3.31Å
720	C	56.5	Low	34.6	Very low	7 Å²	7	108.4 Å²	108.4	5%	0.047	59%	0.587	C	S	.	*	G	3₁₀ helix	trans	-88.9	8.9	176.7	-50	0	0	0	0	113.3	C146 Y182 R184 A718	C146-C720 HydrophobicContact CB-CB 3.72Å; C146-C720 WeakPolarHBondContact CB-SG 3.22Å; C146-C720 WeakPolarHBondContact SG-CB 3.49Å; C146-C720 CovalentContact SG-SG 2.04Å; C146-C720 PolarHBondContact SG-SG 2.96Å; Y182-C720 HydrophobicContact CD1-CB 4.33Å; Y182-C720 HydrophobicContact CD2-CB 4.19Å; Y182-C720 HydrophobicContact CE1-CB 4.23Å; Y182-C720 HydrophobicContact CE2-CB 4.12Å; Y182-C720 VanDerWaalsContact CE2-SG 3.52Å; Y182-C720 HydrophobicContact CG-CB 4.31Å; R184-C720 PolarHBondContact NE-O 3.34Å; R184-C720 PolarHBondContact NH2-O 2.8Å; A718-C720 VanDerWaalsContact C-N 3.34Å; A718-C720 PolarHBondContact O-N 3.22Å
721	D	49.6	Very low	34.7	Very low	42 Å²	42	107.7 Å²	107.7	23%	0.225	58%	0.583	C	S	.	*	G	3₁₀ helix	trans	-111.8	-5.3	172.5	-85.7	-21.5	0	0	0	113	T196 R198 A718 F719 N723	T196-D721 WeakPolarHBondContact CB-OD1 3.1Å; T196-D721 WeakPolarHBondContact CG2-OD1 3.46Å; T196-D721 PolarHBondContact OG1-OD1 2.91Å; R198-D721 IonicContact CZ-OD2 3.71Å; R198-D721 IonicContact NE-OD2 2.71Å; R198-D721 IonicContact NH2-OD2 3.65Å; R198-D721 PolarHBondContact NH2-OD2 3.2Å; A718-D721 CarbonylContact O-C 3.56Å; A718-D721 WeakPolarHBondContact O-CA 3.33Å; A718-D721 PolarHBondContact O-N 3.31Å; F719-D721 VanDerWaalsContact C-N 3.31Å; D721-N723 PolarHBondContact O-N 3.42Å
722	N	41.5	Very low	35.1	Very low	102 Å²	102	112.9 Å²	112.9	55%	0.545	60%	0.598	S	S	.	*	S	Bend	trans	-64.9	122.2	168.4	-81	-40.4	0	0	0	110.5	A718 N724	A718-N722 PolarHBondContact O-N 3.22Å; A718-N722 VanDerWaalsContact O-N 3.09Å; N722-N724 PolarHBondContact O-N 3.43Å
723	N	37.7	Very low	35.2	Very low	95 Å²	95	115.6 Å²	115.6	51%	0.508	60%	0.602	S	S	.	*			trans	-71.8	110	173.2	-81.8	-27	0	0	0	109.9	D721 N725	D721-N723 PolarHBondContact O-N 3.42Å; N723-N725 PolarHBondContact O-N 3.44Å
724	N	32.9	Very low	35.5	Very low	124 Å²	124	118.1 Å²	118.1	66%	0.663	62%	0.618	S	S	*	*			trans	-72.1	60.9	170.4	-94.6	-19.6	0	0	0	111.7	N722 K726	N722-N724 PolarHBondContact O-N 3.43Å; N724-K726 PolarHBondContact O-N 2.97Å
725	N	30.6	Very low	35.6	Very low	128 Å²	128	124 Å²	124	68%	0.684	64%	0.639	S	S	*	*			trans	-76.2	57.6	162.2	-80.9	2.7	0	0	0	110.1	N723 H727	N723-N725 PolarHBondContact O-N 3.44Å; N725-H727 VanDerWaalsContact C-N 3.35Å; N725-H727 PolarHBondContact O-N 2.81Å
726	K	29.9	Very low	35.7	Very low	186 Å²	186	121.1 Å²	121.1	81%	0.809	63%	0.634	S	S	*	*			trans	-77.9	93.3	157.4	-96.1	-172	171.3	-177	0	107.2	N724	N724-K726 PolarHBondContact O-N 2.97Å
727	H	31.4	Very low	35.9	Very low	165 Å²	165	125.7 Å²	125.7	76%	0.764	65%	0.649	S	S	*	*			trans	-59.6	146.9	162.1	-104.6	-88.7	0	0	0	109.5	N725 D729	N725-H727 VanDerWaalsContact C-N 3.35Å; N725-H727 PolarHBondContact O-N 2.81Å; H727-D729 PolarHBondContact O-N 3.3Å
728	N	28.1	Very low	35.3	Very low	158 Å²	158	128.3 Å²	128.3	85%	0.845	66%	0.661	S	S	*	*			trans	-74.5	113.1	171.2	-61.5	-37.9	0	0	0	108.8
729	D	34.3	Very low	34.7	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	68%	0.682	S	S	*	*			trans	-133.3	113.4	164.5	-76	-49.6	0	0	0	108.2	H727	H727-D729 PolarHBondContact O-N 3.3Å
730	D	33.5	Very low	33.5	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	70%	0.697	S	S	*	*			trans	30.3	127.2	161.2	-62.8	-37.5	0	0	0	124.1
731	N	30.1	Very low	32.2	Very low	132 Å²	132	145.8 Å²	145.8	71%	0.706	73%	0.728	S	S	*	*				20.7	122.7	129.7	-36.4	-64.3	0	0	0	117.4
732	D	33.7	Very low	30.9	Very low	163 Å²	163	152.1 Å²	152.1	87%	0.872	76%	0.761	S	S	*	*				-163.1	170.5	71.7	-107.5	-24	0	0	0	113.3
733	E	27.2	Very low	30.2	Very low	181 Å²	181	151.7 Å²	151.7	85%	0.846	77%	0.766	S	S	*	*			trans	-78.1	140.9	179.1	-56.5	-176.6	130.8	0	0	113.8
734	T	32.7	Very low	29.6	Very low	135 Å²	135	154.7 Å²	154.7	83%	0.828	78%	0.78	S	S	*	*				178.7	121.8	117.7	25.9	0	0	0	0	114.3
735	H	30.6	Very low	29.3	Very low	180 Å²	180	159.1 Å²	159.1	83%	0.833	79%	0.794	S	S	*	*			trans	28.9	138.5	158.5	-78.1	-77.7	0	0	0	124.4
736	P	30.5	Very low	29.1	Very low	105 Å²	105	159.4 Å²	159.4	68%	0.682	80%	0.796	S	S	*	*			trans	-94.4	160.3	179.1	39	-35.9	0	0	0	114.1
737	H	32.7	Very low	28.9	Very low	185 Å²	185	156.4 Å²	156.4	86%	0.856	79%	0.789	S	S	*	*			trans	-144.9	127.4	158	-94.2	-71	0	0	0	113.9
738	H	27.4	Very low	28.8	Very low	133 Å²	133	155.6 Å²	155.6	62%	0.616	79%	0.785	S	S	*	*			trans	-12.7	131.9	156.6	-77	-78.9	0	0	0	118.7	D959	H738-D959 IonicContact CD2-OD2 3.37Å; H738-D959 IonicContact CE1-OD2 2.68Å; H738-D959 PolarHBondContact CE1-OD2 2.74Å; H738-D959 IonicContact NE2-OD2 3.24Å; H738-D959 PolarHBondContact NE2-OD2 3.34Å
739	R	29.4	Very low	28.8	Very low	234 Å²	234	154.6 Å²	154.6	88%	0.883	78%	0.775	S	S	*	*				-174.2	126.9	102.7	-99.1	167.8	-171.1	-173.3	2.7	113.3
740	Y	23.7	Very low	28.4	Very low	233 Å²	233	156.4 Å²	156.4	91%	0.914	77%	0.773	S	S	*	*			trans	-75.4	137.6	149.9	-84.5	-96.5	0	0	0	109
741	S	28.3	Very low	28.3	Very low	99 Å²	99	157.7 Å²	157.7	69%	0.692	77%	0.774	S	S	*	*			trans	-151.2	89.2	164.6	61.7	0	0	0	0	111	S743	S741-S743 PolarHBondContact O-N 3.08Å
742	L	23.1	Very low	28.1	Very low	175 Å²	175	159.8 Å²	159.8	92%	0.916	78%	0.779	S	S	*	*			trans	-73.8	105.9	164.1	-95.8	161.9	0	0	0	109
743	S	26.7	Very low	27.9	Very low	93 Å²	93	159.2 Å²	159.2	65%	0.65	78%	0.776	S	S	*	*			trans	-139.3	111.4	162.7	54.9	0	0	0	0	107.8	S741	S741-S743 PolarHBondContact O-N 3.08Å
744	L	24.4	Very low	27.9	Very low	157 Å²	157	158.3 Å²	158.3	82%	0.822	77%	0.771	S	S	*	*				49.6	97.2	85.5	-77.8	156.6	0	0	0	111.7
745	F	28.1	Very low	27.6	Very low	218 Å²	218	159.3 Å²	159.3	96%	0.956	77%	0.767	S	S	*	*				-153.9	137.3	124.7	-110.1	-71.2	0	0	0	110.4
746	N	24.7	Very low	27.3	Very low	134 Å²	134	159.1 Å²	159.1	72%	0.717	76%	0.764	S	S	*	*			trans	-130.7	153.2	-175.4	-154.4	5.1	0	0	0	108.8
747	N	26	Very low	27.1	Very low	123 Å²	123	164.1 Å²	164.1	66%	0.658	77%	0.769	S	S	*	*			trans	65	147.7	-178.6	-44.9	-30.3	0	0	0	114.4
748	H	30.5	Very low	26.8	Very low	147 Å²	147	164.1 Å²	164.1	68%	0.681	77%	0.767	S	S	*	*			cis	-135	143.4	14.4	-77.7	-85.9	0	0	0	109.3
749	Q	26.4	Very low	26.9	Very low	138 Å²	138	165.3 Å²	165.3	65%	0.645	77%	0.772	S	S	*	*				63.9	107.1	61.4	-175.8	-169.4	20.2	0	0	113.5
750	Y	26.9	Very low	26.9	Very low	182 Å²	182	163.3 Å²	163.3	71%	0.714	77%	0.772	S	S	*	*				-178.1	148.8	122.8	-104.4	-64.9	0	0	0	115.9
751	H	30.4	Very low	27.3	Very low	165 Å²	165	156.9 Å²	156.9	76%	0.764	76%	0.762	S	S	*	*			trans	63.3	117.5	156.7	-77.8	-63.4	0	0	0	123.5
752	H	27.5	Very low	27.5	Very low	176 Å²	176	157.2 Å²	157.2	82%	0.815	76%	0.764	S	S	*	*			trans	-47.9	148.8	150.5	-68.1	-103.3	0	0	0	113.1
753	N	29.2	Very low	27.8	Very low	151 Å²	151	155.8 Å²	155.8	81%	0.807	76%	0.762	S	S	*	*				-156.8	164.8	114.3	-120	-39.1	0	0	0	115.7
754	H	26.7	Very low	27.8	Very low	161 Å²	161	157.6 Å²	157.6	75%	0.745	76%	0.764	S	S	*	*			trans	-42.2	156.5	-174.4	-86.4	-84.2	0	0	0	121
755	Q	26.7	Very low	28	Very low	157 Å²	157	155.5 Å²	155.5	73%	0.734	76%	0.762	S	S	*	*			trans	93.1	132.8	135.3	-88.9	176.8	24.4	0	0	122.8
756	F	24.9	Very low	28	Very low	176 Å²	176	150.2 Å²	150.2	77%	0.772	75%	0.752	S	S	*	*			trans	65.5	108.1	147.8	-79.1	-64.3	0	0	0	122.7
757	R	26.5	Very low	28.1	Very low	209 Å²	209	151.5 Å²	151.5	79%	0.789	76%	0.758	S	S	*	*				98.8	98.1	110.8	-160.7	-173.2	-147.5	-168.1	6.7	120.8
758	K	25.5	Very low	28.3	Very low	186 Å²	186	152.4 Å²	152.4	81%	0.809	76%	0.763	S	S	*	*			trans	64.3	142.4	146.8	-57.6	-174.8	177.2	-169.6	0	116.5
759	Q	29.7	Very low	28.1	Very low	157 Å²	157	151.7 Å²	151.7	73%	0.734	77%	0.773	S	S	*	*				-149.5	169.6	51.8	-70.3	-178.9	-9.1	0	0	113.9
760	H	28.3	Very low	28.2	Very low	192 Å²	192	152.3 Å²	152.3	89%	0.889	78%	0.779	S	S	*	*			trans	-100.1	141.7	175.9	-75.6	-119.8	0	0	0	112.5
761	S	33.2	Very low	28.2	Very low	98 Å²	98	148.6 Å²	148.6	69%	0.685	78%	0.78	S	S	*	*			trans	-167.8	136.2	153.4	-166.5	0	0	0	0	108.5
762	S	33.4	Very low	28.1	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	78%	0.784	S	S	*	*			cis	-143.3	128.2	-9	46.3	0	0	0	0	110.9
763	V	27.6	Very low	28.2	Very low	146 Å²	146	151 Å²	151	89%	0.885	79%	0.791	S	S	*	*			trans	-113.9	104.3	159.7	172.1	0	0	0	0	105.8
764	L	28.4	Very low	28	Very low	130 Å²	130	153.3 Å²	153.3	68%	0.681	79%	0.794	S	S	*	*			trans	-173.3	91.6	166.9	-110.3	162.2	0	0	0	111.8
765	S	27	Very low	27.9	Very low	113 Å²	113	154 Å²	154	79%	0.79	79%	0.794	S	S	*	*	S	Bend	trans	-133.9	137.6	137.9	75.7	0	0	0	0	107
766	S	27.8	Very low	28	Very low	107 Å²	107	153.8 Å²	153.8	75%	0.748	79%	0.793	S	S	*	*	S	Bend	trans	69.7	141.2	-159.7	-42.3	0	0	0	0	114.7
767	L	28.6	Very low	28.1	Very low	161 Å²	161	156.7 Å²	156.7	84%	0.843	80%	0.799	S	S	*	*	S	Bend	trans	61.7	68.9	169.2	-55.2	179.1	0	0	0	118.7
768	L	28.5	Very low	28	Very low	143 Å²	143	157.8 Å²	157.8	75%	0.749	80%	0.803	S	S	*	*				178.4	119.7	116	-99.1	162.3	0	0	0	113.1
769	C	26.3	Very low	28.1	Very low	131 Å²	131	158.4 Å²	158.4	89%	0.885	81%	0.806	S	S	*	*			trans	-153.8	68.2	156.1	-161.3	0	0	0	0	110.8
770	I	28.3	Very low	28	Very low	151 Å²	151	159.3 Å²	159.3	77%	0.774	81%	0.81	S	S	*	*			trans	-88.1	139.2	168.1	-67.1	176.1	0	0	0	108.4
771	S	27.3	Very low	27.7	Very low	105 Å²	105	156 Å²	156	73%	0.734	81%	0.807	S	S	*	*			trans	69.5	83.6	170.5	-164	0	0	0	0	117.6
772	K	28.3	Very low	27.4	Very low	198 Å²	198	156.8 Å²	156.8	86%	0.861	81%	0.813	S	S	*	*				-177.2	101.7	125.3	-101.1	165.5	-175.9	175.6	0	112.9
773	M	29.7	Very low	26.9	Very low	193 Å²	193	157 Å²	157	95%	0.951	81%	0.809	S	S	*	*			trans	-166.7	146.6	136.6	-94.6	-50.7	175	0	0	107.5
774	K	24.6	Very low	26.9	Very low	200 Å²	200	160 Å²	160	87%	0.87	81%	0.811	S	S	*	*			trans	-113.3	166.3	-172.7	-74.6	-178.7	176.1	177.2	0	112.1
775	K	26	Very low	26.8	Very low	175 Å²	175	159.8 Å²	159.8	76%	0.761	81%	0.808	S	S	*	*			trans	87.3	119.4	153.7	-87.5	-175.3	163.6	-175.3	0	120.5
776	H	27.4	Very low	27	Very low	153 Å²	153	161.9 Å²	161.9	71%	0.708	81%	0.811	S	S	*	*			trans	63.9	147.5	149.8	-54.2	-60.9	0	0	0	118.2
777	R	28.2	Very low	27.1	Very low	236 Å²	236	162.2 Å²	162.2	89%	0.891	80%	0.804	S	S	*	*			cis	-123.9	150.1	-5.1	-58.7	172.4	171.1	160.1	-4.3	107.2
778	R	24.9	Very low	27.4	Very low	232 Å²	232	161 Å²	161	88%	0.875	80%	0.799	S	S	*	*			cis	72	133.8	39.6	-117.2	-171.7	-169.2	-168.9	3.9	114.8
779	K	26.9	Very low	27.5	Very low	199 Å²	199	160 Å²	160	87%	0.865	79%	0.794	S	S	*	*			trans	80.6	140.2	-167.5	-56	-174.5	178.6	-174.2	0	113.2
780	Q	27.4	Very low	27.6	Very low	177 Å²	177	163.6 Å²	163.6	83%	0.827	79%	0.789	S	S	*	*			cis	-142.9	144.2	3.8	-155.3	155.6	-23.3	0	0	112.2
781	C	22.6	Very low	27.6	Very low	122 Å²	122	161.2 Å²	161.2	82%	0.824	78%	0.782	S	S	*	*			trans	-97.6	147.8	167.9	-54.3	0	0	0	0	109.3
782	S	26.2	Very low	27.4	Very low	115 Å²	115	163.4 Å²	163.4	80%	0.804	78%	0.783	S	S	*	*			trans	-148.9	97.3	152.7	-158.2	0	0	0	0	112.2
783	V	23.9	Very low	27.4	Very low	110 Å²	110	158.6 Å²	158.6	67%	0.667	78%	0.775	S	S	*	*			trans	22.1	112.9	138.8	-172.7	0	0	0	0	117.6	I785	V783-I785 HydrophobicContact CG1-CD1 4.35Å
784	K	27	Very low	27.2	Very low	210 Å²	210	157.3 Å²	157.3	91%	0.913	77%	0.766	S	S	*	*				-144.5	148.2	105.5	-113.4	174.8	-175.7	178.2	0	112
785	I	25.1	Very low	27.2	Very low	124 Å²	124	155.9 Å²	155.9	64%	0.636	76%	0.761	S	S	*	*			trans	-113.5	132.1	-165.4	-67.4	157.3	0	0	0	107.9	V783	V783-I785 HydrophobicContact CG1-CD1 4.35Å
786	N	31.7	Very low	27.3	Very low	157 Å²	157	154.9 Å²	154.9	84%	0.84	76%	0.764	S	S	*	*				-144.1	146.3	120.1	-144.6	-9.4	0	0	0	111.7
787	N	30.6	Very low	27.3	Very low	115 Å²	115	153.9 Å²	153.9	62%	0.615	76%	0.759	S	S	*	*			trans	-92.5	149.5	-173.5	-63.4	-37.6	0	0	0	110.3
788	N	35	Very low	27.2	Very low	135 Å²	135	147 Å²	147	72%	0.722	74%	0.743	S	S	*	*				-174.7	123.9	99.3	-91.3	-43.2	0	0	0	112.3
789	N	29.5	Very low	27.4	Very low	121 Å²	121	139 Å²	139	65%	0.647	72%	0.718	S	S	*	*				45	134.4	122	-63.9	-36.9	0	0	0	119.3
790	R	28.7	Very low	27.5	Very low	207 Å²	207	132.8 Å²	132.8	78%	0.781	69%	0.694	S	S	*	*			cis	-169.2	150.5	12.9	-130	173	-173	173.9	-1	113.3
791	T	28.1	Very low	27.6	Very low	102 Å²	102	131.9 Å²	131.9	63%	0.626	69%	0.694	S	S	*	*			trans	39.3	115.4	141.5	50.4	0	0	0	0	120.3
792	I	24.9	Very low	27.8	Very low	150 Å²	150	135.3 Å²	135.3	77%	0.769	70%	0.697	S	S	*	*				87.3	155.5	80.2	-77.5	174.2	0	0	0	113.4
793	S	26.6	Very low	28	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	70%	0.695	S	S	*	*			trans	69.1	114.9	-179.2	20.8	0	0	0	0	114.2
794	Q	25.8	Very low	28.1	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	70%	0.7	S	S	*	*				90.6	136.7	63.3	-90.8	-175.3	-91.2	0	0	112
795	F	24.6	Very low	28.2	Very low	170 Å²	170	130.9 Å²	130.9	75%	0.746	69%	0.687	S	S	*	*			trans	31.9	114.1	160.6	-66.9	-93	0	0	0	116.5
796	D	28	Very low	28.5	Very low	154 Å²	154	131.8 Å²	131.8	82%	0.824	69%	0.693	S	S	*	*				-164.2	-177.3	68.4	-100.6	-39.6	0	0	0	114.6
797	H	27.5	Very low	28.3	Very low	132 Å²	132	128.8 Å²	128.8	61%	0.611	68%	0.684	S	S	*	*			trans	-74.8	164.4	171.3	-88.9	-62.9	0	0	0	113.2	P620	P620-H797 HydrophobicContact CG-CB 4.32Å
798	T	26.5	Very low	28.3	Very low	92 Å²	92	131.1 Å²	131.1	56%	0.564	69%	0.689	S	S	*	*			trans	72	136.3	169.3	116.1	0	0	0	0	113.9	R619 P620	R619-T798 VanDerWaalsContact O-CB 3.26Å; R619-T798 WeakPolarHBondContact O-CB 3.23Å; P620-T798 HydrophobicContact CG-CG2 4.14Å
799	N	30.2	Very low	28.2	Very low	63 Å²	63	131.2 Å²	131.2	34%	0.337	69%	0.685	S	S	.	*			cis	-164.5	-175.2	21.7	-134	-65.4	0	0	0	117.5	V618 R619	V618-N799 VanDerWaalsContact C-OD1 3.31Å; V618-N799 VanDerWaalsContact CA-CG 3.45Å; V618-N799 WeakPolarHBondContact CA-ND2 3.31Å; V618-N799 WeakPolarHBondContact CA-OD1 3.4Å; V618-N799 WeakPolarHBondContact CB-ND2 3.14Å; V618-N799 WeakPolarHBondContact CG1-ND2 3.3Å; V618-N799 HydrophobicContact CG2-CB 3.94Å; V618-N799 WeakPolarHBondContact CG2-ND2 3.33Å; R619-N799 VanDerWaalsContact N-CG 3.31Å; R619-N799 PolarHBondContact N-ND2 3.03Å; R619-N799 PolarHBondContact N-OD1 3.35Å; R619-N799 PolarHBondContact O-ND2 3.25Å
800	N	27.2	Very low	28.1	Very low	69 Å²	69	131.2 Å²	131.2	37%	0.369	68%	0.684	S	S	.	*			trans	-62	148.3	158.5	-75.6	-18.4	0	0	0	113.8	R619	R619-N800 VanDerWaalsContact CD-OD1 3.24Å; R619-N800 WeakPolarHBondContact CD-OD1 3.05Å; R619-N800 VanDerWaalsContact CZ-OD1 3.24Å; R619-N800 PolarHBondContact NE-OD1 2.93Å; R619-N800 PolarHBondContact NH1-OD1 3.4Å
801	I	30.3	Very low	28.2	Very low	159 Å²	159	126.6 Å²	126.6	82%	0.815	68%	0.675	S	S	*	*				-167.1	167	127.9	-102.9	158.3	0	0	0	109.7
802	H	27.1	Very low	28.4	Very low	193 Å²	193	129.4 Å²	129.4	89%	0.894	68%	0.68	S	S	*	*			trans	-69.8	158.4	-175.8	-89.1	12.3	0	0	0	115.8
803	G	29.6	Very low	28.6	Very low	74 Å²	74	127.2 Å²	127.2	76%	0.763	67%	0.669	S	S	*	*			trans	154.6	71.2	173.8	0	0	0	0	0	111.8
804	N	26.6	Very low	28.9	Very low	143 Å²	143	128.3 Å²	128.3	77%	0.765	67%	0.672	S	S	*	*				89.2	140.5	58.5	-162.8	24.8	0	0	0	113.6
805	I	29.1	Very low	28.9	Very low	126 Å²	126	124 Å²	124	65%	0.646	66%	0.664	S	S	*	*			trans	79.6	142.9	167.8	-69.7	154.2	0	0	0	119.3
806	N	30.7	Very low	29.3	Very low	142 Å²	142	122.5 Å²	122.5	76%	0.759	67%	0.67	S	S	*	*			trans	65	95	174.2	-63.2	-19.7	0	0	0	116.5
807	S	27.6	Very low	29.2	Very low	95 Å²	95	120.8 Å²	120.8	66%	0.664	67%	0.665	S	S	*	*			cis	75.7	96.6	18	90.1	0	0	0	0	117.7
808	K	31.5	Very low	29.4	Very low	164 Å²	164	120.3 Å²	120.3	71%	0.713	67%	0.671	S	S	*	*			trans	-175.3	138.8	155.7	-95.5	179.6	163.4	-87.2	0	106.1
809	E	31.8	Very low	29.5	Very low	137 Å²	137	121.6 Å²	121.6	64%	0.64	68%	0.679	S	S	*	*			cis	-149.3	140.1	-8.9	-112.8	145.9	165.6	0	0	106.1
810	I	29	Very low	29.6	Very low	120 Å²	120	123.8 Å²	123.8	62%	0.615	70%	0.695	S	S	*	*			cis	72.5	114.1	30.6	-51.1	171.5	0	0	0	109.6
811	D	29.5	Very low	29.7	Very low	111 Å²	111	125.9 Å²	125.9	59%	0.594	71%	0.711	S	S	*	*			cis	-133	179	11.4	-100.2	-45.3	0	0	0	110.5	I813	D811-I813 HydrophobicContact CB-CD1 4.04Å
812	H	33.2	Very low	29.8	Very low	160 Å²	160	123.5 Å²	123.5	74%	0.741	70%	0.704	S	S	*	*			cis	-153	143.1	45.6	-91.3	-96.5	0	0	0	111.4
813	I	29.6	Very low	30.1	Very low	105 Å²	105	119.8 Å²	119.8	54%	0.538	69%	0.694	S	S	.	*				73.2	126.7	59.7	-70.9	167.7	0	0	0	111.3	D811	D811-I813 HydrophobicContact CB-CD1 4.04Å
814	T	31.1	Very low	30.3	Very low	119 Å²	119	122.6 Å²	122.6	73%	0.73	69%	0.692	S	S	*	*			cis	-156.3	148.6	-3.1	23.4	0	0	0	0	106.9
815	A	27.3	Very low	30.4	Very low	75 Å²	75	121.2 Å²	121.2	62%	0.62	69%	0.689	S	S	*	*				67.9	99	58.8	0	0	0	0	0	116
816	T	31.2	Very low	30.5	Very low	140 Å²	140	122 Å²	122	86%	0.859	70%	0.7	S	S	*	*			trans	-163.2	109.4	150.1	29.5	0	0	0	0	105.6
817	T	26.9	Very low	30.3	Very low	118 Å²	118	122.3 Å²	122.3	72%	0.724	70%	0.701	S	S	*	*			cis	79.9	90.1	23.9	-39.3	0	0	0	0	114.5
818	T	31.3	Very low	30.6	Very low	122 Å²	122	124.7 Å²	124.7	75%	0.748	71%	0.707	S	S	*	*			trans	-169	114.6	152.2	28.6	0	0	0	0	105.4
819	T	29	Very low	30.3	Very low	118 Å²	118	124 Å²	124	72%	0.724	71%	0.711	S	S	*	*				59.5	138.8	85.6	65.6	0	0	0	0	113.1
820	T	31.4	Very low	30.2	Very low	110 Å²	110	122.7 Å²	122.7	68%	0.675	72%	0.717	S	S	*	*			cis	-161.7	156.3	27	-18	0	0	0	0	110.9
821	T	31.1	Very low	30.3	Very low	113 Å²	113	122.7 Å²	122.7	69%	0.693	72%	0.718	S	S	*	*			trans	20.3	145.1	141.1	57.5	0	0	0	0	121
822	T	32.2	Very low	30.4	Very low	109 Å²	109	120.8 Å²	120.8	67%	0.669	71%	0.708	S	S	*	*			cis	-177.3	160.4	11.1	16.2	0	0	0	0	110.7
823	T	32.5	Very low	30.2	Very low	114 Å²	114	119.8 Å²	119.8	70%	0.699	71%	0.708	S	S	*	*			trans	60.5	148	150.8	55	0	0	0	0	119.1
824	N	33.1	Very low	30.4	Very low	134 Å²	134	120 Å²	120	72%	0.717	72%	0.715	S	S	*	*			cis	-156.1	152.7	-4.8	-119.5	-3.5	0	0	0	112.1
825	T	30.4	Very low	30.5	Very low	114 Å²	114	118.7 Å²	118.7	70%	0.699	70%	0.7	S	S	*	*			trans	29.5	119.9	150.6	59.3	0	0	0	0	121.1
826	T	30	Very low	30.6	Very low	142 Å²	142	120.6 Å²	120.6	87%	0.871	70%	0.695	S	S	*	*				-167.4	159.4	100.7	21.2	0	0	0	0	110.8
827	N	27.9	Very low	30.7	Very low	148 Å²	148	119.9 Å²	119.9	79%	0.791	69%	0.685	S	S	*	*			trans	-68.8	141.1	-177.2	-58.5	-13.8	0	0	0	111.9
828	N	32	Very low	31	Very low	146 Å²	146	118.9 Å²	118.9	78%	0.781	68%	0.675	S	S	*	*				173.6	126.6	113.3	-84.6	-19.7	0	0	0	113.3
829	N	26.8	Very low	31.1	Very low	149 Å²	149	115.8 Å²	115.8	80%	0.797	66%	0.656	S	S	*	*			trans	23.9	102.8	153	-59.5	-6.6	0	0	0	120
830	S	29.8	Very low	31.4	Very low	109 Å²	109	113.5 Å²	113.5	76%	0.762	64%	0.642	S	S	*	*			trans	-152.4	43.4	154.7	81.2	0	0	0	0	114.8	N832	S830-N832 PolarHBondContact O-N 3.38Å; S830-N832 VanDerWaalsContact O-N 3.07Å
831	N	31.1	Very low	31.8	Very low	120 Å²	120	113 Å²	113	64%	0.642	64%	0.635	S	S	*	*			trans	-64.7	-6.2	172.7	-72.1	-4	0	0	0	113.6	N833 E835	N831-N833 PolarHBondContact O-N 2.82Å; N831-E835 WeakPolarHBondContact CB-OE2 3.23Å; N831-E835 PolarHBondContact ND2-OE2 3.04Å
832	N	31.1	Very low	32.1	Very low	72 Å²	72	113.6 Å²	113.6	39%	0.385	63%	0.634	S	S	.	*	H	α-helix	trans	-87.7	-0.3	-136.1	-58.5	21.2	0	0	0	115.4	S830 T834 E835 F836	S830-N832 PolarHBondContact O-N 3.38Å; S830-N832 VanDerWaalsContact O-N 3.07Å; N832-T834 VanDerWaalsContact C-N 3.31Å; N832-T834 PolarHBondContact O-N 2.94Å; N832-E835 PolarHBondContact O-N 2.8Å; N832-F836 WeakPolarHBondContact O-CA 3.32Å; N832-F836 WeakPolarHBondContact O-CB 3.49Å; N832-F836 PolarHBondContact O-N 2.95Å
833	N	29.3	Very low	32.3	Very low	138 Å²	138	114.9 Å²	114.9	74%	0.738	63%	0.63	S	S	*	*	H	α-helix	trans	-73.8	-19.2	-177.4	-71.5	-35.7	0	0	0	114.3	N831	N831-N833 PolarHBondContact O-N 2.82Å
834	T	32.6	Very low	32.2	Very low	111 Å²	111	113.3 Å²	113.3	68%	0.681	62%	0.624	S	S	*	*	H	α-helix	trans	-106.4	-19.2	163	35.5	0	0	0	0	112.7	N832 N838	N832-T834 VanDerWaalsContact C-N 3.31Å; N832-T834 PolarHBondContact O-N 2.94Å; T834-N838 PolarHBondContact O-ND2 3.32Å
835	E	34.6	Very low	32.4	Very low	91 Å²	91	111.2 Å²	111.2	43%	0.425	61%	0.612	S	S	.	*	H	α-helix	trans	-85.4	-18.4	178.7	-148.2	157.4	-141.8	0	0	113.5	N831 N832 N838 T839	N831-E835 WeakPolarHBondContact CB-OE2 3.23Å; N831-E835 PolarHBondContact ND2-OE2 3.04Å; N832-E835 PolarHBondContact O-N 2.8Å; E835-N838 CarbonylContact O-C 3.6Å; E835-N838 PolarHBondContact O-N 3.16Å; E835-T839 WeakPolarHBondContact O-CB 3.38Å; E835-T839 PolarHBondContact O-N 3.17Å; E835-T839 PolarHBondContact O-OG1 2.71Å
836	F	29.1	Very low	32.7	Very low	115 Å²	115	107.8 Å²	107.8	50%	0.504	59%	0.591	S	S	.	*	H	α-helix	trans	-74.8	-39.8	175.4	-164.7	-105.5	0	0	0	111.6	N832 N838 T839 V840	N832-F836 WeakPolarHBondContact O-CA 3.32Å; N832-F836 WeakPolarHBondContact O-CB 3.49Å; N832-F836 PolarHBondContact O-N 2.95Å; F836-N838 PolarHBondContact O-N 2.73Å; F836-T839 VanDerWaalsContact CA-OG1 3.29Å; F836-T839 WeakPolarHBondContact CA-OG1 3.06Å; F836-T839 PolarHBondContact O-N 2.92Å; F836-T839 PolarHBondContact O-OG1 3.17Å; F836-V840 HydrophobicContact CD1-CG2 4.49Å; F836-V840 HydrophobicContact CE1-CG2 4.43Å; F836-V840 WeakPolarHBondContact O-CG2 3.12Å; F836-V840 PolarHBondContact O-N 3.49Å
837	L	32.6	Very low	32.8	Very low	125 Å²	125	104.9 Å²	104.9	65%	0.654	57%	0.57	S	S	*	*	H	α-helix	trans	-64.1	-28.6	169.6	-74.9	167.5	0	0	0	111.9	N841	L837-N841 PolarHBondContact O-ND2 2.71Å
838	N	32.8	Very low	33	Very low	96 Å²	96	103.9 Å²	103.9	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-85.3	-26.6	174.5	-70.5	-19.1	0	0	0	113.7	T834 E835 F836 N841 N842	T834-N838 PolarHBondContact O-ND2 3.32Å; E835-N838 CarbonylContact O-C 3.6Å; E835-N838 PolarHBondContact O-N 3.16Å; F836-N838 PolarHBondContact O-N 2.73Å; N838-N841 PolarHBondContact O-N 2.7Å; N838-N842 PolarHBondContact O-N 3.08Å; N838-N842 PolarHBondContact O-ND2 2.92Å
839	T	33.9	Very low	33.1	Very low	58 Å²	58	100.7 Å²	100.7	36%	0.356	54%	0.543	S	S	.	.	H	α-helix	trans	-83	-29	176.2	39	0	0	0	0	113.3	E835 F836 N841 N842 F843	E835-T839 WeakPolarHBondContact O-CB 3.38Å; E835-T839 PolarHBondContact O-N 3.17Å; E835-T839 PolarHBondContact O-OG1 2.71Å; F836-T839 VanDerWaalsContact CA-OG1 3.29Å; F836-T839 WeakPolarHBondContact CA-OG1 3.06Å; F836-T839 PolarHBondContact O-N 2.92Å; F836-T839 PolarHBondContact O-OG1 3.17Å; T839-N841 PolarHBondContact O-N 2.58Å; T839-N842 PolarHBondContact O-N 3.08Å; T839-F843 WeakPolarHBondContact O-CD2 3.16Å; T839-F843 PolarHBondContact O-N 2.94Å
840	V	36.1	Very low	33.6	Very low	69 Å²	69	99.1 Å²	99.1	42%	0.418	54%	0.539	S	S	.	.	H	α-helix	trans	-58.4	-36	165.3	170.2	0	0	0	0	110.8	F836 N842	F836-V840 HydrophobicContact CD1-CG2 4.49Å; F836-V840 HydrophobicContact CE1-CG2 4.43Å; F836-V840 WeakPolarHBondContact O-CG2 3.12Å; F836-V840 PolarHBondContact O-N 3.49Å; V840-N842 VanDerWaalsContact C-N 3.32Å; V840-N842 PolarHBondContact O-N 2.79Å
841	N	38.1	Very low	33.7	Very low	99 Å²	99	97.7 Å²	97.7	53%	0.529	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.9	173.8	-68.2	-20.1	0	0	0	114.4	L837 N838 T839 N847	L837-N841 PolarHBondContact O-ND2 2.71Å; N838-N841 PolarHBondContact O-N 2.7Å; T839-N841 PolarHBondContact O-N 2.58Å; N841-N847 PolarHBondContact O-ND2 2.71Å
842	N	37.9	Very low	33.6	Very low	126 Å²	126	95 Å²	95	67%	0.674	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-5.3	-179.6	-82.8	-25.9	0	0	0	114.4	N838 T839 V840 S844	N838-N842 PolarHBondContact O-N 3.08Å; N838-N842 PolarHBondContact O-ND2 2.92Å; T839-N842 PolarHBondContact O-N 3.08Å; V840-N842 VanDerWaalsContact C-N 3.32Å; V840-N842 PolarHBondContact O-N 2.79Å; N842-S844 PolarHBondContact O-N 2.84Å
843	F	36.4	Very low	33.5	Very low	137 Å²	137	101 Å²	101	60%	0.601	55%	0.545	S	S	*	.			trans	-67	117.2	170.5	-86.4	-85.1	0	0	0	110.1	T839 I845 V846 N847	T839-F843 WeakPolarHBondContact O-CD2 3.16Å; T839-F843 PolarHBondContact O-N 2.94Å; F843-I845 PolarHBondContact O-N 3.47Å; F843-V846 HydrophobicContact CB-CB 4.2Å; F843-V846 HydrophobicContact CB-CG2 3.79Å; F843-V846 PolarHBondContact O-N 3.25Å; F843-N847 PolarHBondContact O-N 3.36Å; F843-N847 VanDerWaalsContact O-N 3.1Å
844	S	30.8	Very low	33.6	Very low	81 Å²	81	98.4 Å²	98.4	57%	0.566	54%	0.538	S	S	*	.	H	α-helix	trans	-57.9	-31.4	178.2	57.5	0	0	0	0	112.6	N842 N847 Q848	N842-S844 PolarHBondContact O-N 2.84Å; S844-N847 PolarHBondContact O-N 3.45Å; S844-Q848 VanDerWaalsContact O-CB 3.31Å; S844-Q848 WeakPolarHBondContact O-CB 3.39Å; S844-Q848 VanDerWaalsContact O-CG 3.31Å; S844-Q848 WeakPolarHBondContact O-CG 3.15Å; S844-Q848 PolarHBondContact O-N 2.87Å
845	I	36	Very low	33.3	Very low	90 Å²	90	96.9 Å²	96.9	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-42.3	172.3	-77.7	174.8	0	0	0	112.2	F843 Q848 L849	F843-I845 PolarHBondContact O-N 3.47Å; I845-Q848 PolarHBondContact O-N 2.7Å; I845-L849 HydrophobicContact CG2-CD1 3.9Å; I845-L849 WeakPolarHBondContact O-CD1 3.3Å; I845-L849 PolarHBondContact O-N 2.77Å
846	V	37.3	Very low	33.5	Very low	42 Å²	42	98.8 Å²	98.8	26%	0.255	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-45.6	177.6	177.4	0	0	0	0	109.6	F843 Q848 L849 V850	F843-V846 HydrophobicContact CB-CB 4.2Å; F843-V846 HydrophobicContact CB-CG2 3.79Å; F843-V846 PolarHBondContact O-N 3.25Å; V846-Q848 PolarHBondContact O-N 2.78Å; V846-L849 PolarHBondContact O-N 2.92Å; V846-V850 WeakPolarHBondContact O-CB 3.43Å; V846-V850 WeakPolarHBondContact O-CG2 3.26Å; V846-V850 PolarHBondContact O-N 2.96Å
847	N	32.2	Very low	33.8	Very low	81 Å²	81	101.4 Å²	101.4	43%	0.433	57%	0.572	S	S	.	*	H	α-helix	trans	-61.6	-40.7	174.1	-75.4	-58.1	0	0	0	112.3	N841 F843 S844 V850 S851	N841-N847 PolarHBondContact O-ND2 2.71Å; F843-N847 PolarHBondContact O-N 3.36Å; F843-N847 VanDerWaalsContact O-N 3.1Å; S844-N847 PolarHBondContact O-N 3.45Å; N847-V850 CarbonylContact O-C 3.58Å; N847-V850 PolarHBondContact O-N 2.83Å; N847-S851 WeakPolarHBondContact O-CA 3.17Å; N847-S851 WeakPolarHBondContact O-CB 3.4Å; N847-S851 PolarHBondContact O-N 2.92Å; N847-S851 PolarHBondContact O-OG 2.79Å; N847-S851 VanDerWaalsContact O-OG 3.08Å
848	Q	33.2	Very low	34.3	Very low	126 Å²	126	98.7 Å²	98.7	59%	0.589	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-36.5	178.1	-80.7	-179.6	-25.6	0	0	113.6	S844 I845 V846 V850 S851 S852	S844-Q848 VanDerWaalsContact O-CB 3.31Å; S844-Q848 WeakPolarHBondContact O-CB 3.39Å; S844-Q848 VanDerWaalsContact O-CG 3.31Å; S844-Q848 WeakPolarHBondContact O-CG 3.15Å; S844-Q848 PolarHBondContact O-N 2.87Å; I845-Q848 PolarHBondContact O-N 2.7Å; V846-Q848 PolarHBondContact O-N 2.78Å; Q848-V850 VanDerWaalsContact C-N 3.31Å; Q848-S851 PolarHBondContact O-N 3.29Å; Q848-S852 WeakPolarHBondContact O-CB 3.33Å; Q848-S852 PolarHBondContact O-N 2.65Å; Q848-S852 VanDerWaalsContact O-N 3.07Å
849	L	34.3	Very low	34.5	Very low	80 Å²	80	96.7 Å²	96.7	42%	0.419	56%	0.56	S	S	.	*	H	α-helix	trans	-70.3	-27.1	172.3	-90.9	90.6	0	0	0	112.9	I845 V846 M894	I845-L849 HydrophobicContact CG2-CD1 3.9Å; I845-L849 WeakPolarHBondContact O-CD1 3.3Å; I845-L849 PolarHBondContact O-N 2.77Å; V846-L849 PolarHBondContact O-N 2.92Å; L849-M894 HydrophobicContact CD2-CE 4.12Å
850	V	36.4	Very low	35.2	Very low	116 Å²	116	95.8 Å²	95.8	70%	0.703	55%	0.552	S	S	*	*	H	α-helix	trans	-87.6	-20.9	176.1	175.1	0	0	0	0	112.2	V846 N847 Q848	V846-V850 WeakPolarHBondContact O-CB 3.43Å; V846-V850 WeakPolarHBondContact O-CG2 3.26Å; V846-V850 PolarHBondContact O-N 2.96Å; N847-V850 CarbonylContact O-C 3.58Å; N847-V850 PolarHBondContact O-N 2.83Å; Q848-V850 VanDerWaalsContact C-N 3.31Å
851	S	32	Very low	35.5	Very low	78 Å²	78	96 Å²	96	55%	0.545	56%	0.556	S	S	.	*	S	Bend	trans	-114.9	12.7	-175.3	89.9	0	0	0	0	115	N847 Q848 Q853	N847-S851 WeakPolarHBondContact O-CA 3.17Å; N847-S851 WeakPolarHBondContact O-CB 3.4Å; N847-S851 PolarHBondContact O-N 2.92Å; N847-S851 PolarHBondContact O-OG 2.79Å; N847-S851 VanDerWaalsContact O-OG 3.08Å; Q848-S851 PolarHBondContact O-N 3.29Å; S851-Q853 PolarHBondContact O-N 2.83Å
852	S	29	Very low	35.7	Very low	65 Å²	65	96.2 Å²	96.2	46%	0.455	57%	0.566	S	S	.	*			trans	-67.8	100.2	178.1	59.9	0	0	0	0	110.9	Q848 S854	Q848-S852 WeakPolarHBondContact O-CB 3.33Å; Q848-S852 PolarHBondContact O-N 2.65Å; Q848-S852 VanDerWaalsContact O-N 3.07Å; S852-S854 PolarHBondContact O-N 3.17Å
853	Q	28.1	Very low	36.5	Very low	198 Å²	198	94.2 Å²	94.2	93%	0.925	56%	0.558	S	S	*	*			trans	-73.1	63.1	177.7	-65.3	-169.6	-69.1	0	0	112	S851	S851-Q853 PolarHBondContact O-N 2.83Å
854	S	31.7	Very low	37.3	Very low	83 Å²	83	89.6 Å²	89.6	58%	0.58	54%	0.539	S	S	*	.	S	Bend	trans	-152.2	70.6	-176.9	60.2	0	0	0	0	113	S852 H856	S852-S854 PolarHBondContact O-N 3.17Å; S854-H856 VanDerWaalsContact C-N 3.27Å; S854-H856 PolarHBondContact O-N 3.19Å
855	G	27.5	Very low	38.5	Very low	79 Å²	79	88.8 Å²	88.8	81%	0.814	53%	0.529	S	S	*	.	S	Bend	trans	69.5	-14.4	152.7	0	0	0	0	0	120.2
856	H	36.9	Very low	39.6	Very low	130 Å²	130	89.1 Å²	89.1	60%	0.602	53%	0.531	S	S	*	.			trans	-135	94.3	-171.7	-67.1	-80.4	0	0	0	113.1	S854 L858	S854-H856 VanDerWaalsContact C-N 3.27Å; S854-H856 PolarHBondContact O-N 3.19Å; H856-L858 PolarHBondContact O-N 2.87Å; H856-L858 VanDerWaalsContact O-N 3.16Å
857	N	36.2	Very low	40.5	Very low	171 Å²	171	89.5 Å²	89.5	91%	0.914	53%	0.531	S	S	*	.			trans	-66.5	110.2	164.6	-76.3	-9.8	0	0	0	109.2	G859	N857-G859 PolarHBondContact O-N 3.06Å
858	L	43.7	Very low	41.8	Very low	68 Å²	68	85.7 Å²	85.7	36%	0.356	51%	0.511	S	S	.	.			trans	-74.8	3.3	-177.9	-72.8	172.9	0	0	0	114.7	H856 L860 L883	H856-L858 PolarHBondContact O-N 2.87Å; H856-L858 VanDerWaalsContact O-N 3.16Å; L858-L860 HydrophobicContact CB-CD1 4.17Å; L858-L860 PolarHBondContact O-N 3.4Å; L858-L860 VanDerWaalsContact O-N 3.09Å; L858-L883 HydrophobicContact CB-CD2 4.48Å; L858-L883 HydrophobicContact CD1-CD2 4.38Å; L858-L883 HydrophobicContact CD2-CD2 4.32Å
859	G	37.6	Very low	42.8	Very low	54 Å²	54	85.8 Å²	85.8	56%	0.557	51%	0.511	S	S	*	.			trans	69.8	3.1	171.6	0	0	0	0	0	116.2	N857 C861	N857-G859 PolarHBondContact O-N 3.06Å; G859-C861 PolarHBondContact O-N 2.96Å
860	L	47.7	Very low	44	Very low	38 Å²	38	88 Å²	88	20%	0.199	52%	0.522	C	S	.	.			trans	-68.8	110.3	178.1	-74.6	151	0	0	0	110.8	L858 D864 T874 V876 L883 I885	L858-L860 HydrophobicContact CB-CD1 4.17Å; L858-L860 PolarHBondContact O-N 3.4Å; L858-L860 VanDerWaalsContact O-N 3.09Å; L860-D864 HydrophobicContact CD2-CB 4.01Å; L860-T874 HydrophobicContact CD2-CG2 4.34Å; L860-V876 HydrophobicContact CD2-CB 4.38Å; L860-V876 HydrophobicContact CD2-CG2 3.55Å; L860-V876 HydrophobicContact CG-CG2 4.1Å; L860-L883 HydrophobicContact CD1-CD2 4.03Å; L860-I885 HydrophobicContact CD1-CD1 4.03Å; L860-I885 HydrophobicContact CD2-CD1 3.96Å
861	C	41.5	Very low	45.4	Very low	73 Å²	73	91.2 Å²	91.2	49%	0.493	52%	0.522	S	S	.	.			trans	-76.1	160	166.4	-75.7	0	0	0	0	110.4	G859 T863 D864 L865	G859-C861 PolarHBondContact O-N 2.96Å; C861-T863 VanDerWaalsContact CB-OG1 3.26Å; C861-T863 WeakPolarHBondContact CB-OG1 3.25Å; C861-T863 PolarHBondContact O-N 2.91Å; C861-T863 VanDerWaalsContact O-N 3.1Å; C861-D864 WeakPolarHBondContact CB-OD2 3.44Å; C861-D864 PolarHBondContact N-OD2 2.96Å; C861-D864 WeakPolarHBondContact O-CB 3.46Å; C861-D864 PolarHBondContact O-N 3.49Å; C861-L865 PolarHBondContact O-N 3.16Å
862	S	43.4	Very low	46.6	Very low	105 Å²	105	88.3 Å²	88.3	73%	0.734	50%	0.504	S	S	*	.	H	α-helix	trans	-56.8	-28	174.3	-45	0	0	0	0	112.4	D864 L866	S862-D864 VanDerWaalsContact C-N 3.35Å; S862-L866 VanDerWaalsContact O-CB 3.23Å; S862-L866 WeakPolarHBondContact O-CB 3.06Å; S862-L866 PolarHBondContact O-N 3.22Å
863	T	53.9	Low	48.3	Very low	84 Å²	84	89.9 Å²	89.9	52%	0.515	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-31.7	171.7	45.5	0	0	0	0	113.7	C861 N867	C861-T863 VanDerWaalsContact CB-OG1 3.26Å; C861-T863 WeakPolarHBondContact CB-OG1 3.25Å; C861-T863 PolarHBondContact O-N 2.91Å; C861-T863 VanDerWaalsContact O-N 3.1Å; T863-N867 WeakPolarHBondContact O-CB 3.46Å; T863-N867 PolarHBondContact O-N 2.85Å; T863-N867 PolarHBondContact O-ND2 3.45Å
864	D	53	Low	50.2	Low	39 Å²	39	81.4 Å²	81.4	21%	0.209	47%	0.466	C	S	.	.	H	α-helix	trans	-81.2	-38.5	-177.2	-54.2	-40.3	0	0	0	110.8	L860 C861 S862 N867 A868 T874 V876	L860-D864 HydrophobicContact CD2-CB 4.01Å; C861-D864 WeakPolarHBondContact CB-OD2 3.44Å; C861-D864 PolarHBondContact N-OD2 2.96Å; C861-D864 WeakPolarHBondContact O-CB 3.46Å; C861-D864 PolarHBondContact O-N 3.49Å; S862-D864 VanDerWaalsContact C-N 3.35Å; D864-N867 PolarHBondContact O-N 2.71Å; D864-A868 PolarHBondContact O-N 3.08Å; D864-T874 WeakPolarHBondContact O-CB 3.46Å; D864-T874 WeakPolarHBondContact O-CG2 3.18Å; D864-T874 PolarHBondContact O-OG1 3.23Å; D864-V876 HydrophobicContact CB-CG2 4.17Å
865	L	55.9	Low	51.7	Low	65 Å²	65	80.6 Å²	80.6	34%	0.34	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-41.7	167.7	-85.4	153.9	0	0	0	111.7	C861 A868 H869	C861-L865 PolarHBondContact O-N 3.16Å; L865-A868 WeakPolarHBondContact O-CB 3.44Å; L865-A868 PolarHBondContact O-N 3.24Å; L865-H869 PolarHBondContact O-N 3.29Å
866	L	60.7	Low	53.1	Low	97 Å²	97	77.9 Å²	77.9	51%	0.508	43%	0.428	S	S	.	.	H	α-helix	trans	-65.8	-39.9	174	-176	62	0	0	0	111.8	S862 A868 H869 L870	S862-L866 VanDerWaalsContact O-CB 3.23Å; S862-L866 WeakPolarHBondContact O-CB 3.06Å; S862-L866 PolarHBondContact O-N 3.22Å; L866-A868 VanDerWaalsContact C-N 3.34Å; L866-H869 PolarHBondContact O-N 3.09Å; L866-L870 HydrophobicContact CD1-CD1 4.01Å; L866-L870 HydrophobicContact CD1-CG 4.13Å; L866-L870 HydrophobicContact CD2-CD1 4.47Å; L866-L870 HydrophobicContact CG-CD1 3.84Å; L866-L870 HydrophobicContact CG-CG 4.35Å; L866-L870 WeakPolarHBondContact O-CB 3.34Å; L866-L870 VanDerWaalsContact O-CG 3.28Å; L866-L870 WeakPolarHBondContact O-CG 3.01Å; L866-L870 PolarHBondContact O-N 2.92Å
867	N	55.9	Low	54	Low	50 Å²	50	78.2 Å²	78.2	27%	0.267	43%	0.43	S	S	.	.	H	α-helix	trans	-63.3	-38.6	171.4	-85.3	-56.7	0	0	0	111.8	T863 D864 H869 L870 R871	T863-N867 WeakPolarHBondContact O-CB 3.46Å; T863-N867 PolarHBondContact O-N 2.85Å; T863-N867 PolarHBondContact O-ND2 3.45Å; D864-N867 PolarHBondContact O-N 2.71Å; N867-H869 VanDerWaalsContact C-N 3.33Å; N867-H869 PolarHBondContact O-N 3.28Å; N867-L870 PolarHBondContact O-N 2.92Å; N867-R871 VanDerWaalsContact O-CB 3.27Å; N867-R871 WeakPolarHBondContact O-CB 3.13Å; N867-R871 WeakPolarHBondContact O-CG 3.05Å; N867-R871 PolarHBondContact O-N 3.44Å; N867-R871 PolarHBondContact OD1-NE 2.74Å; N867-R871 PolarHBondContact OD1-NH2 3.4Å
868	A	58.4	Low	54.8	Low	0 Å²	0	71 Å²	71	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-59.1	-46	175	0	0	0	0	0	111.3	D864 L865 L866 G872 Q873 T874 L887	D864-A868 PolarHBondContact O-N 3.08Å; L865-A868 WeakPolarHBondContact O-CB 3.44Å; L865-A868 PolarHBondContact O-N 3.24Å; L866-A868 VanDerWaalsContact C-N 3.34Å; A868-G872 CarbonylContact O-C 3.19Å; A868-G872 VanDerWaalsContact O-CA 3.28Å; A868-G872 WeakPolarHBondContact O-CA 3.4Å; A868-G872 PolarHBondContact O-N 3.3Å; A868-Q873 PolarHBondContact O-N 2.04Å; A868-T874 HydrophobicContact CB-CG2 3.64Å; A868-L887 HydrophobicContact CB-CD1 3.87Å; A868-L887 HydrophobicContact CB-CG 4.45Å
869	H	54.1	Low	55	Low	128 Å²	128	71.2 Å²	71.2	59%	0.593	41%	0.406	S	S	*	.	H	α-helix	trans	-66.6	-45.2	178.5	-168.9	68.8	0	0	0	112.1	L865 L866 N867	L865-H869 PolarHBondContact O-N 3.29Å; L866-H869 PolarHBondContact O-N 3.09Å; N867-H869 VanDerWaalsContact C-N 3.33Å; N867-H869 PolarHBondContact O-N 3.28Å
870	L	60.8	Low	55.5	Low	126 Å²	126	73.8 Å²	73.8	66%	0.66	41%	0.407	S	S	*	.	H	α-helix	trans	-76.9	-18.5	-177.5	-69.2	175.4	0	0	0	115.1	L866 N867	L866-L870 HydrophobicContact CD1-CD1 4.01Å; L866-L870 HydrophobicContact CD1-CG 4.13Å; L866-L870 HydrophobicContact CD2-CD1 4.47Å; L866-L870 HydrophobicContact CG-CD1 3.84Å; L866-L870 HydrophobicContact CG-CG 4.35Å; L866-L870 WeakPolarHBondContact O-CB 3.34Å; L866-L870 VanDerWaalsContact O-CG 3.28Å; L866-L870 WeakPolarHBondContact O-CG 3.01Å; L866-L870 PolarHBondContact O-N 2.92Å; N867-L870 PolarHBondContact O-N 2.92Å
871	R	64.4	Low	56	Low	185 Å²	185	72.7 Å²	72.7	70%	0.698	41%	0.405	S	S	*	.	H	α-helix	trans	-119.3	1.6	-177.1	-55.8	-176.3	-173.8	-159.8	1.3	113.8	N867 Q873	N867-R871 VanDerWaalsContact O-CB 3.27Å; N867-R871 WeakPolarHBondContact O-CB 3.13Å; N867-R871 WeakPolarHBondContact O-CG 3.05Å; N867-R871 PolarHBondContact O-N 3.44Å; N867-R871 PolarHBondContact OD1-NE 2.74Å; N867-R871 PolarHBondContact OD1-NH2 3.4Å; R871-Q873 PolarHBondContact O-N 2.8Å
872	G	58.1	Low	56.7	Low	16 Å²	16	72.7 Å²	72.7	17%	0.165	40%	0.399	C	S	.	.	S	Bend	trans	66.5	-4	-169.4	0	0	0	0	0	114.5	A868 L887 S888	A868-G872 CarbonylContact O-C 3.19Å; A868-G872 VanDerWaalsContact O-CA 3.28Å; A868-G872 WeakPolarHBondContact O-CA 3.4Å; A868-G872 PolarHBondContact O-N 3.3Å; G872-L887 CarbonylContact O-C 3.58Å; G872-L887 WeakPolarHBondContact O-CA 3.49Å; G872-L887 PolarHBondContact O-N 2.79Å; G872-S888 PolarHBondContact O-N 2.87Å
873	Q	65.8	Low	57.7	Low	99 Å²	99	67.7 Å²	67.7	46%	0.463	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	148.5	176.9	55	175.8	-20.4	0	0	112.6	A868 R871 I885	A868-Q873 PolarHBondContact O-N 2.04Å; R871-Q873 PolarHBondContact O-N 2.8Å; Q873-I885 VanDerWaalsContact CA-O 3.24Å; Q873-I885 WeakPolarHBondContact CA-O 3.09Å
874	T	66.2	Low	58.2	Low	19 Å²	19	66 Å²	66	12%	0.117	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	162.4	163.7	-160.5	0	0	0	0	110.3	L860 D864 A868 Q884 I885	L860-T874 HydrophobicContact CD2-CG2 4.34Å; D864-T874 WeakPolarHBondContact O-CB 3.46Å; D864-T874 WeakPolarHBondContact O-CG2 3.18Å; D864-T874 PolarHBondContact O-OG1 3.23Å; A868-T874 HydrophobicContact CB-CG2 3.64Å; T874-Q884 CarbonylContact O-C 3.6Å; T874-Q884 WeakPolarHBondContact O-CA 3.33Å; T874-I885 HydrophobicContact CG2-CB 4.17Å; T874-I885 HydrophobicContact CG2-CD1 4.31Å; T874-I885 HydrophobicContact CG2-CG1 4.46Å; T874-I885 PolarHBondContact N-O 2.76Å; T874-I885 PolarHBondContact O-N 2.7Å
875	S	64.9	Low	58.9	Low	66 Å²	66	65.1 Å²	65.1	46%	0.462	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	119.9	174.4	62.9	0	0	0	0	111.2	L883	S875-L883 CarbonylContact C-O 3.39Å; S875-L883 VanDerWaalsContact CA-O 3.3Å; S875-L883 WeakPolarHBondContact CA-O 3.11Å
876	V	55.5	Low	59.2	Low	22 Å²	22	62.2 Å²	62.2	13%	0.133	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.6	176.1	175.6	0	0	0	0	109.1	L860 D864 A878 L883	L860-V876 HydrophobicContact CD2-CB 4.38Å; L860-V876 HydrophobicContact CD2-CG2 3.55Å; L860-V876 HydrophobicContact CG-CG2 4.1Å; D864-V876 HydrophobicContact CB-CG2 4.17Å; V876-A878 PolarHBondContact O-N 2.83Å; V876-L883 PolarHBondContact N-O 3.21Å; V876-L883 WeakPolarHBondContact O-CA 3.26Å; V876-L883 WeakPolarHBondContact O-CB 3.13Å; V876-L883 PolarHBondContact O-N 3.39Å
877	Q	55.6	Low	59.3	Low	137 Å²	137	60.7 Å²	60.7	64%	0.64	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	96.4	179.4	-168	165.8	-6.2	0	0	109.8	Y1172	Q877-Y1172 PolarHBondContact NE2-OH 2.85Å; Q877-Y1172 VanDerWaalsContact NE2-OH 3.16Å
878	A	53.7	Low	59.4	Low	20 Å²	20	62.3 Å²	62.3	17%	0.165	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	164	176.9	0	0	0	0	0	111.1	V876 N880 G881 L883	V876-A878 PolarHBondContact O-N 2.83Å; A878-N880 PolarHBondContact O-N 3.11Å; A878-G881 WeakPolarHBondContact CA-O 3.11Å; A878-G881 PolarHBondContact N-O 2.99Å; A878-G881 PolarHBondContact O-N 2.04Å; A878-G881 VanDerWaalsContact O-O 3.08Å; A878-L883 HydrophobicContact CB-CB 4.26Å
879	A	47.1	Very low	59	Low	73 Å²	73	70.3 Å²	70.3	60%	0.603	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.7	180	0	0	0	0	0	114
880	N	48.3	Very low	58.6	Low	108 Å²	108	67.6 Å²	67.6	58%	0.578	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	6.4	-177.5	-56.7	8.7	0	0	0	112.6	A878 N897	A878-N880 PolarHBondContact O-N 3.11Å; N880-N897 PolarHBondContact O-ND2 2.9Å; N880-N897 VanDerWaalsContact O-ND2 3.08Å
881	G	59.2	Low	58.3	Low	15 Å²	15	66.3 Å²	66.3	16%	0.155	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-168.5	179.3	0	0	0	0	0	114.9	A878 L883 N897	A878-G881 WeakPolarHBondContact CA-O 3.11Å; A878-G881 PolarHBondContact N-O 2.99Å; A878-G881 PolarHBondContact O-N 2.04Å; A878-G881 VanDerWaalsContact O-O 3.08Å; G881-L883 PolarHBondContact O-N 3.37Å; G881-N897 WeakPolarHBondContact CA-OD1 3.46Å
882	L	56.3	Low	57.5	Low	72 Å²	72	59.8 Å²	59.8	38%	0.377	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	112.2	179.4	-168	76	0	0	0	110.2	I896 N897	L882-I896 WeakPolarHBondContact O-CA 3.41Å; L882-N897 PolarHBondContact N-OD1 3.28Å; L882-N897 PolarHBondContact O-N 3.38Å
883	L	64.6	Low	57.6	Low	1 Å²	1	59.9 Å²	59.9	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	102.7	169.3	-176.4	81.8	0	0	0	108.5	L858 L860 S875 V876 A878 G881 M894 L895 I896	L858-L883 HydrophobicContact CB-CD2 4.48Å; L858-L883 HydrophobicContact CD1-CD2 4.38Å; L858-L883 HydrophobicContact CD2-CD2 4.32Å; L860-L883 HydrophobicContact CD1-CD2 4.03Å; S875-L883 CarbonylContact C-O 3.39Å; S875-L883 VanDerWaalsContact CA-O 3.3Å; S875-L883 WeakPolarHBondContact CA-O 3.11Å; V876-L883 PolarHBondContact N-O 3.21Å; V876-L883 WeakPolarHBondContact O-CA 3.26Å; V876-L883 WeakPolarHBondContact O-CB 3.13Å; V876-L883 PolarHBondContact O-N 3.39Å; A878-L883 HydrophobicContact CB-CB 4.26Å; G881-L883 PolarHBondContact O-N 3.37Å; L883-M894 HydrophobicContact CD1-CG 3.74Å; L883-M894 HydrophobicContact CD1-SD 3.85Å; L883-L895 CarbonylContact C-O 3.59Å; L883-L895 WeakPolarHBondContact CA-O 3.42Å; L883-I896 HydrophobicContact CD1-CD1 4.05Å; L883-I896 HydrophobicContact CD1-CG1 3.62Å
884	Q	64.2	Low	57.1	Low	49 Å²	49	57.2 Å²	57.2	23%	0.229	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129	175	-176.2	179.3	3.9	0	0	109.6	T874 L895	T874-Q884 CarbonylContact O-C 3.6Å; T874-Q884 WeakPolarHBondContact O-CA 3.33Å; Q884-L895 HydrophobicContact CB-CB 4.18Å; Q884-L895 HydrophobicContact CB-CD1 4.17Å; Q884-L895 HydrophobicContact CG-CD1 4.09Å; Q884-L895 PolarHBondContact N-O 3.2Å; Q884-L895 WeakPolarHBondContact O-CB 3.36Å; Q884-L895 PolarHBondContact O-N 3.37Å
885	I	67.6	Low	57.1	Low	19 Å²	19	57.3 Å²	57.3	10%	0.097	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.5	173.7	-55.6	173.5	0	0	0	106.2	L860 Q873 T874 L887	L860-I885 HydrophobicContact CD1-CD1 4.03Å; L860-I885 HydrophobicContact CD2-CD1 3.96Å; Q873-I885 VanDerWaalsContact CA-O 3.24Å; Q873-I885 WeakPolarHBondContact CA-O 3.09Å; T874-I885 HydrophobicContact CG2-CB 4.17Å; T874-I885 HydrophobicContact CG2-CD1 4.31Å; T874-I885 HydrophobicContact CG2-CG1 4.46Å; T874-I885 PolarHBondContact N-O 2.76Å; T874-I885 PolarHBondContact O-N 2.7Å; I885-L887 HydrophobicContact CG2-CD2 3.82Å; I885-L887 HydrophobicContact CG2-CG 4.16Å
886	D	60.9	Low	57.1	Low	4 Å²	4	56.2 Å²	56.2	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	111.6	177.5	-175.6	-3.7	0	0	0	109	S888 R889 S893 L895	D886-S888 WeakPolarHBondContact OD1-CB 3.17Å; D886-S888 PolarHBondContact OD1-N 2.78Å; D886-S888 PolarHBondContact OD1-OG 3.05Å; D886-R889 IonicContact OD2-CZ 3.46Å; D886-R889 IonicContact OD2-NE 3.13Å; D886-R889 PolarHBondContact OD2-NE 3.14Å; D886-R889 IonicContact OD2-NH2 3.37Å; D886-R889 PolarHBondContact OD2-NH2 3.29Å; D886-R889 VanDerWaalsContact OD2-NH2 3.13Å; D886-S893 PolarHBondContact N-O 3.48Å; D886-S893 PolarHBondContact O-N 2.8Å; D886-L895 HydrophobicContact CB-CD1 4.16Å
887	L	64.5	Low	57.4	Low	66 Å²	66	59.5 Å²	59.5	35%	0.346	34%	0.338	S	S	.	.			trans	-104.6	-1.7	175.4	-53.7	-176.2	0	0	0	112	A868 G872 I885 R889 P892	A868-L887 HydrophobicContact CB-CD1 3.87Å; A868-L887 HydrophobicContact CB-CG 4.45Å; G872-L887 CarbonylContact O-C 3.58Å; G872-L887 WeakPolarHBondContact O-CA 3.49Å; G872-L887 PolarHBondContact O-N 2.79Å; I885-L887 HydrophobicContact CG2-CD2 3.82Å; I885-L887 HydrophobicContact CG2-CG 4.16Å; L887-R889 PolarHBondContact O-N 3.32Å; L887-P892 HydrophobicContact CD2-CB 3.55Å
888	S	57.8	Low	57.7	Low	83 Å²	83	55.4 Å²	55.4	58%	0.58	33%	0.332	S	S	*	.	S	Bend	trans	-74.4	-8.1	-177	72.1	0	0	0	0	113.3	G872 D886	G872-S888 PolarHBondContact O-N 2.87Å; D886-S888 WeakPolarHBondContact OD1-CB 3.17Å; D886-S888 PolarHBondContact OD1-N 2.78Å; D886-S888 PolarHBondContact OD1-OG 3.05Å
889	R	50.5	Low	57.8	Low	168 Å²	168	63.1 Å²	63.1	63%	0.634	36%	0.357	S	S	*	.	S	Bend	trans	-111	143.6	178.9	-49.6	-176.7	-158.6	-139.9	-2.6	109	D886 L887 H891	D886-R889 IonicContact OD2-CZ 3.46Å; D886-R889 IonicContact OD2-NE 3.13Å; D886-R889 PolarHBondContact OD2-NE 3.14Å; D886-R889 IonicContact OD2-NH2 3.37Å; D886-R889 PolarHBondContact OD2-NH2 3.29Å; D886-R889 VanDerWaalsContact OD2-NH2 3.13Å; L887-R889 PolarHBondContact O-N 3.32Å; R889-H891 CarbonylContact O-C 3.6Å; R889-H891 PolarHBondContact O-N 2.68Å
890	G	44.9	Very low	58.2	Low	72 Å²	72	64 Å²	64	74%	0.742	36%	0.357	S	S	*	.	S	Bend	trans	-61	0.8	-178.8	0	0	0	0	0	116.7
891	H	53.6	Low	58.3	Low	99 Å²	99	63.8 Å²	63.8	46%	0.458	36%	0.355	S	S	.	.	S	Bend	trans	-125.4	108.2	162.7	-57.7	-45.3	0	0	0	107.4	R889 S893	R889-H891 CarbonylContact O-C 3.6Å; R889-H891 PolarHBondContact O-N 2.68Å; H891-S893 PolarHBondContact O-N 2.82Å
892	P	48.4	Very low	57.3	Low	47 Å²	47	68.8 Å²	68.8	31%	0.305	38%	0.376	S	S	.	.			trans	-63.3	136.1	-178.6	23.8	-30	0	0	0	109.7	L887 I904	L887-P892 HydrophobicContact CD2-CB 3.55Å; P892-I904 HydrophobicContact CG-CB 4.09Å; P892-I904 HydrophobicContact CG-CD1 4.24Å; P892-I904 PolarHBondContact O-N 3.4Å
893	S	59.3	Low	56.3	Low	18 Å²	18	74.9 Å²	74.9	13%	0.126	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.5	-170.1	63.9	0	0	0	0	111.8	D886 H891	D886-S893 PolarHBondContact N-O 3.48Å; D886-S893 PolarHBondContact O-N 2.8Å; H891-S893 PolarHBondContact O-N 2.82Å
894	M	55.9	Low	55.1	Low	43 Å²	43	78.4 Å²	78.4	21%	0.212	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.8	172.2	-176.3	178	-76.2	0	0	108.5	L849 L883 P900 L901 M902	L849-M894 HydrophobicContact CD2-CE 4.12Å; L883-M894 HydrophobicContact CD1-CG 3.74Å; L883-M894 HydrophobicContact CD1-SD 3.85Å; M894-P900 WeakPolarHBondContact O-CA 3.46Å; M894-L901 PolarHBondContact O-N 3.38Å; M894-M902 PolarHBondContact N-O 3.29Å
895	L	66.7	Low	53.4	Low	22 Å²	22	81.3 Å²	81.3	12%	0.115	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.3	-176.2	-57.9	152.1	0	0	0	108.9	L883 Q884 D886 R899 P900	L883-L895 CarbonylContact C-O 3.59Å; L883-L895 WeakPolarHBondContact CA-O 3.42Å; Q884-L895 HydrophobicContact CB-CB 4.18Å; Q884-L895 HydrophobicContact CB-CD1 4.17Å; Q884-L895 HydrophobicContact CG-CD1 4.09Å; Q884-L895 PolarHBondContact N-O 3.2Å; Q884-L895 WeakPolarHBondContact O-CB 3.36Å; Q884-L895 PolarHBondContact O-N 3.37Å; D886-L895 HydrophobicContact CB-CD1 4.16Å; L895-R899 CarbonylContact C-O 3.48Å; L895-R899 VanDerWaalsContact CA-O 3.24Å; L895-R899 WeakPolarHBondContact CA-O 3.22Å; L895-P900 HydrophobicContact CD2-CB 4.14Å
896	I	65.2	Low	51.7	Low	42 Å²	42	83.5 Å²	83.5	22%	0.215	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.1	162.5	-73.7	-171.4	0	0	0	108.5	L882 L883 G898 R899 L901	L882-I896 WeakPolarHBondContact O-CA 3.41Å; L883-I896 HydrophobicContact CD1-CD1 4.05Å; L883-I896 HydrophobicContact CD1-CG1 3.62Å; I896-G898 PolarHBondContact O-N 2.84Å; I896-R899 PolarHBondContact N-O 2.81Å; I896-R899 WeakPolarHBondContact O-CB 3.47Å; I896-R899 PolarHBondContact O-N 2.72Å; I896-L901 HydrophobicContact CB-CD1 4.26Å; I896-L901 HydrophobicContact CD1-CD1 3.42Å; I896-L901 VanDerWaalsContact CD1-CD1 3.42Å; I896-L901 HydrophobicContact CG1-CD1 3.68Å
897	N	61	Low	50.2	Low	91 Å²	91	89.3 Å²	89.3	49%	0.487	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	41.4	-177.2	-59.1	-42.1	0	0	0	112.3	N880 G881 L882 R899	N880-N897 PolarHBondContact O-ND2 2.9Å; N880-N897 VanDerWaalsContact O-ND2 3.08Å; G881-N897 WeakPolarHBondContact CA-OD1 3.46Å; L882-N897 PolarHBondContact N-OD1 3.28Å; L882-N897 PolarHBondContact O-N 3.38Å; N897-R899 VanDerWaalsContact C-N 3.26Å; N897-R899 PolarHBondContact O-N 3.23Å
898	G	63.1	Low	48.5	Very low	51 Å²	51	91.1 Å²	91.1	53%	0.526	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-0.4	-177.2	0	0	0	0	0	116	I896	I896-G898 PolarHBondContact O-N 2.84Å
899	R	54.2	Low	47.1	Very low	182 Å²	182	94.3 Å²	94.3	69%	0.687	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	129.2	177.5	-63.3	-174.4	174.4	-162.4	-2.4	111.2	L895 I896 N897 L901	L895-R899 CarbonylContact C-O 3.48Å; L895-R899 VanDerWaalsContact CA-O 3.24Å; L895-R899 WeakPolarHBondContact CA-O 3.22Å; I896-R899 PolarHBondContact N-O 2.81Å; I896-R899 WeakPolarHBondContact O-CB 3.47Å; I896-R899 PolarHBondContact O-N 2.72Å; N897-R899 VanDerWaalsContact C-N 3.26Å; N897-R899 PolarHBondContact O-N 3.23Å; R899-L901 PolarHBondContact O-N 3.47Å
900	P	55.7	Low	46	Very low	93 Å²	93	92.6 Å²	92.6	60%	0.604	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	126.6	180	27.4	-33.9	0	0	0	111.2	M894 L895	M894-P900 WeakPolarHBondContact O-CA 3.46Å; L895-P900 HydrophobicContact CD2-CB 4.14Å
901	L	50.9	Low	45.3	Very low	103 Å²	103	94 Å²	94	54%	0.539	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-34	-179	-160.6	154.9	0	0	0	111	M894 I896 R899	M894-L901 PolarHBondContact O-N 3.38Å; I896-L901 HydrophobicContact CB-CD1 4.26Å; I896-L901 HydrophobicContact CD1-CD1 3.42Å; I896-L901 VanDerWaalsContact CD1-CD1 3.42Å; I896-L901 HydrophobicContact CG1-CD1 3.68Å; R899-L901 PolarHBondContact O-N 3.47Å
902	M	38.3	Very low	44.1	Very low	119 Å²	119	96.8 Å²	96.8	59%	0.586	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-148.9	137.1	171.2	-174	174.3	-76.4	0	0	110.5	M894 I904	M894-M902 PolarHBondContact N-O 3.29Å; M902-I904 HydrophobicContact CG-CG1 4.48Å; M902-I904 HydrophobicContact SD-CG1 4.41Å
903	R	35.9	Very low	43.2	Very low	200 Å²	200	99.7 Å²	99.7	76%	0.755	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.1	131.7	158	-76.3	-172.9	179.9	-177.3	1.8	108.1
904	I	37.6	Very low	41.9	Very low	76 Å²	76	104.1 Å²	104.1	39%	0.39	60%	0.598	S	S	.	*			trans	-94.1	108.8	167.8	-60.4	175.4	0	0	0	107.8	P892 M902 A906	P892-I904 HydrophobicContact CG-CB 4.09Å; P892-I904 HydrophobicContact CG-CD1 4.24Å; P892-I904 PolarHBondContact O-N 3.4Å; M902-I904 HydrophobicContact CG-CG1 4.48Å; M902-I904 HydrophobicContact SD-CG1 4.41Å; I904-A906 PolarHBondContact O-N 3.46Å
905	S	29	Very low	40.7	Very low	110 Å²	110	108.3 Å²	108.3	77%	0.769	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-72.2	119.4	178.2	-59	0	0	0	0	110.7
906	A	32.6	Very low	38.8	Very low	64 Å²	64	114 Å²	114	53%	0.529	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-83.5	132.4	171.6	0	0	0	0	0	110.4	I904	I904-A906 PolarHBondContact O-N 3.46Å
907	S	28.1	Very low	36.9	Very low	126 Å²	126	117.6 Å²	117.6	88%	0.881	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-75.2	140.5	175.5	-170.9	0	0	0	0	111.2
908	S	29.9	Very low	35.2	Very low	105 Å²	105	123.4 Å²	123.4	73%	0.734	70%	0.697	S	S	*	*	S	Bend	trans	-101.4	86.1	-172.3	58.8	0	0	0	0	113
909	N	28.6	Very low	33.5	Very low	150 Å²	150	128.1 Å²	128.1	80%	0.802	71%	0.709	S	S	*	*			trans	-177	115.2	146.6	-98.2	-13.4	0	0	0	111.1
910	P	27.8	Very low	32.2	Very low	132 Å²	132	127.1 Å²	127.1	86%	0.857	72%	0.716	S	S	*	*			trans	-106.8	73.7	-178.4	38.5	-31.1	0	0	0	112.9
911	S	28.9	Very low	30.8	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	72%	0.723	S	S	*	*			trans	-162	76.2	172.7	63.1	0	0	0	0	113.9
912	D	29.3	Very low	29.6	Very low	159 Å²	159	132 Å²	132	85%	0.85	74%	0.738	S	S	*	*			trans	-167.9	149.1	141.9	-113.3	-27	0	0	0	114.7
913	V	29.8	Very low	29.1	Very low	108 Å²	108	129.6 Å²	129.6	66%	0.655	74%	0.744	S	S	*	*			trans	50.3	128.9	153.5	-176.6	0	0	0	0	121.3
914	T	30.7	Very low	28.6	Very low	110 Å²	110	131.3 Å²	131.3	68%	0.675	75%	0.752	S	S	*	*			trans	-65.9	158.9	171.7	47.4	0	0	0	0	115.6
915	D	32.1	Very low	28.1	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	77%	0.774	S	S	*	*	S	Bend	trans	57.9	107	155.4	-59.4	-20.9	0	0	0	119.4
916	N	26.3	Very low	27.9	Very low	141 Å²	141	139 Å²	139	75%	0.754	77%	0.768	S	S	*	*	S	Bend	trans	47.4	133.8	144.1	-62.6	-39.3	0	0	0	121.4	W918	N916-W918 PolarHBondContact O-NE1 2.56Å
917	S	25.8	Very low	27.7	Very low	117 Å²	117	138 Å²	138	82%	0.818	75%	0.754	S	S	*	*			trans	87.4	48.5	156.6	74.6	0	0	0	0	121.2
918	W	24.4	Very low	27.6	Very low	214 Å²	214	135.7 Å²	135.7	81%	0.811	73%	0.732	S	S	*	*			trans	-146.3	112.9	170.9	-20.3	50.4	0	0	0	107.9	N916	N916-W918 PolarHBondContact O-NE1 2.56Å
919	L	27	Very low	27.5	Very low	149 Å²	149	132.6 Å²	132.6	78%	0.78	71%	0.713	S	S	*	*			cis	87.4	85.3	4.6	-127.5	-177.5	0	0	0	118
920	L	27	Very low	27.3	Very low	161 Å²	161	130.9 Å²	130.9	84%	0.843	71%	0.707	S	S	*	*			trans	-101	110.2	150.1	-80.4	157.6	0	0	0	106.4
921	Q	26.4	Very low	27.1	Very low	159 Å²	159	129 Å²	129	74%	0.743	70%	0.697	S	S	*	*				54.7	123.5	82.9	-63.2	-170.5	-4.8	0	0	112.2
922	T	27.2	Very low	26.8	Very low	140 Å²	140	127.4 Å²	127.4	86%	0.859	68%	0.684	S	S	*	*			cis	-111.8	142.6	28.3	52.3	0	0	0	0	113.3
923	G	26.3	Very low	26.6	Very low	69 Å²	69	124.8 Å²	124.8	71%	0.711	67%	0.674	S	S	*	*				92.4	128	77.7	0	0	0	0	0	110.2
924	Y	26.1	Very low	26.4	Very low	236 Å²	236	124.2 Å²	124.2	93%	0.925	68%	0.675	S	S	*	*			cis	-143.6	-171.1	18.2	-127.1	-107.9	0	0	0	113.5
925	R	27	Very low	26.3	Very low	227 Å²	227	124.3 Å²	124.3	86%	0.857	68%	0.68	S	S	*	*			trans	-87.8	127.7	-168.9	-65.8	173.3	174.6	174	-2.8	115
926	N	25.5	Very low	25.9	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	69%	0.692	S	S	*	*				45.1	113.5	107.8	-129.7	20.6	0	0	0	118.5
927	N	28	Very low	25.9	Very low	42 Å²	42	124 Å²	124	23%	0.225	69%	0.691	C	S	.	*				103.2	136.4	117.5	65	-130.2	0	0	0	127.2	K631 P632	K631-N927 HydrophobicContact CB-CB 3.54Å; K631-N927 HydrophobicContact CD-CB 4.48Å; K631-N927 WeakPolarHBondContact CD-OD1 3.34Å; K631-N927 WeakPolarHBondContact CE-OD1 3.24Å; K631-N927 HydrophobicContact CG-CB 3.73Å; K631-N927 VanDerWaalsContact CG-OD1 3.28Å; K631-N927 WeakPolarHBondContact CG-OD1 3.42Å; K631-N927 PolarHBondContact NZ-ND2 2.59Å; K631-N927 PolarHBondContact NZ-OD1 2.94Å; P632-N927 CarbonylContact O-C 3.59Å; P632-N927 WeakPolarHBondContact O-CA 3.27Å; P632-N927 WeakPolarHBondContact O-CB 3.2Å
928	N	26.2	Very low	25.9	Very low	78 Å²	78	126 Å²	126	42%	0.417	69%	0.689	S	S	.	*			trans	117.6	70.5	136	-137.7	-10.4	0	0	0	124.7	P632 E633	P632-N928 VanDerWaalsContact C-N 3.32Å; P632-N928 WeakPolarHBondContact CD-OD1 3.28Å; P632-N928 WeakPolarHBondContact CG-OD1 3.44Å; P632-N928 PolarHBondContact O-N 2.85Å; E633-N928 VanDerWaalsContact CB-N 3.31Å; E633-N928 WeakPolarHBondContact OE1-CA 3.48Å; E633-N928 PolarHBondContact OE1-N 3.45Å; E633-N928 VanDerWaalsContact OE1-N 3.12Å; E633-N928 PolarHBondContact OE2-N 3.08Å
929	A	27	Very low	25.9	Very low	41 Å²	41	121.7 Å²	121.7	34%	0.339	68%	0.683	S	S	.	*			trans	105	146.3	137.2	0	0	0	0	0	123.4	P632	P632-A929 HydrophobicContact CB-CB 4.03Å
930	V	25.2	Very low	25.9	Very low	114 Å²	114	122 Å²	122	69%	0.691	68%	0.684	S	S	*	*			trans	36.2	129	147.3	-179.1	0	0	0	0	122.3	I634	I634-V930 VanDerWaalsContact CD1-CA 3.43Å; I634-V930 VanDerWaalsContact CD1-N 3.29Å
931	C	23.6	Very low	25.8	Very low	93 Å²	93	121.1 Å²	121.1	63%	0.628	68%	0.68	S	S	*	*			trans	84.9	98.6	154.4	-84.5	0	0	0	0	122.9
932	C	22.9	Very low	25.9	Very low	65 Å²	65	120.5 Å²	120.5	44%	0.439	68%	0.681	S	S	.	*				50.4	94	109.7	-58.7	0	0	0	0	121.7	L701	L701-C932 HydrophobicContact CB-CB 4.2Å; L701-C932 HydrophobicContact CD1-CB 3.95Å
933	T	25	Very low	26	Very low	105 Å²	105	119.2 Å²	119.2	64%	0.644	68%	0.678	S	S	*	*			trans	-161.5	131.4	132.4	-2.2	0	0	0	0	114.7	L701	L701-T933 HydrophobicContact CD1-CG2 3.63Å
934	S	25.3	Very low	26.3	Very low	96 Å²	96	123.3 Å²	123.3	67%	0.671	68%	0.679	S	S	*	*			trans	29.5	142.9	146.5	54.9	0	0	0	0	123.6
935	S	27.1	Very low	26.7	Very low	112 Å²	112	118.1 Å²	118.1	78%	0.783	67%	0.674	S	S	*	*			trans	-83.5	164.5	175.8	57.1	0	0	0	0	115.4
936	M	25.2	Very low	26.9	Very low	195 Å²	195	109.9 Å²	109.9	96%	0.961	66%	0.66	S	S	*	*				-178.4	134.7	128.7	-100.8	-175.1	-171	0	0	113
937	G	25.1	Very low	27	Very low	71 Å²	71	108.9 Å²	108.9	73%	0.732	66%	0.658	S	S	*	*			trans	115	107.3	135	0	0	0	0	0	122
938	M	26.4	Very low	27.1	Very low	158 Å²	158	118.2 Å²	118.2	78%	0.778	69%	0.692	S	S	*	*			trans	74.5	108.2	130.6	-54.5	-62.1	-83.1	0	0	123.1
939	N	24.6	Very low	27.1	Very low	125 Å²	125	119.4 Å²	119.4	67%	0.668	70%	0.702	S	S	*	*				46.2	131.4	123.7	-53.7	-5.2	0	0	0	122.5
940	L	26.6	Very low	27.3	Very low	156 Å²	156	123.9 Å²	123.9	82%	0.817	73%	0.725	S	S	*	*				-173.8	121.5	99.4	-117.7	96	0	0	0	115.2
941	L	24.8	Very low	27.4	Very low	142 Å²	142	124.5 Å²	124.5	74%	0.743	73%	0.729	S	S	*	*			trans	45.9	152.1	133.1	-79.1	162.8	0	0	0	126
942	N	28.6	Very low	27.7	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	74%	0.738	S	S	*	*			trans	84.5	141.2	161.8	-58	-21.1	0	0	0	118.7
943	S	29.4	Very low	27.9	Very low	113 Å²	113	126 Å²	126	79%	0.79	75%	0.753	S	S	*	*			cis	-164.5	153.3	-14.6	47.4	0	0	0	0	112.7
944	E	32.1	Very low	28.1	Very low	155 Å²	155	125.9 Å²	125.9	72%	0.724	76%	0.762	S	S	*	*			trans	-78.7	170	175.2	-132.6	-173.6	-118.2	0	0	112.8
945	P	34.1	Very low	28.4	Very low	127 Å²	127	130.8 Å²	130.8	83%	0.825	78%	0.775	S	S	*	*				-145.8	176.9	67.4	39.5	-20.3	0	0	0	115.4
946	G	31.3	Very low	28.7	Very low	55 Å²	55	130.5 Å²	130.5	57%	0.567	77%	0.772	S	S	*	*			cis	171	133.8	-11.8	0	0	0	0	0	114.7
947	V	29.5	Very low	28.9	Very low	98 Å²	98	128.5 Å²	128.5	59%	0.594	77%	0.766	S	S	*	*			trans	49.3	124.5	130.4	-179.9	0	0	0	0	121.4	T949	V947-T949 HydrophobicContact CG1-CG2 4.4Å
948	Y	28.4	Very low	29.3	Very low	239 Å²	239	131.8 Å²	131.8	94%	0.937	77%	0.771	S	S	*	*				-140.9	136.9	119.3	-98.8	-70.7	0	0	0	110.8
949	T	26.9	Very low	29.5	Very low	102 Å²	102	129.3 Å²	129.3	63%	0.626	76%	0.761	S	S	*	*			trans	-145.4	139.1	-168.3	53.2	0	0	0	0	113.4	V947	V947-T949 HydrophobicContact CG1-CG2 4.4Å
950	T	30.6	Very low	29.8	Very low	136 Å²	136	129 Å²	129	83%	0.834	77%	0.769	S	S	*	*			trans	-142	114.5	157.5	49.5	0	0	0	0	106.2
951	V	27.3	Very low	29.9	Very low	126 Å²	126	129.6 Å²	129.6	76%	0.764	77%	0.773	S	S	*	*				56.4	117.1	51.2	-169	0	0	0	0	109.3
952	S	29.5	Very low	30.2	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	78%	0.778	S	S	*	*			cis	-151.4	171.1	11.4	41.6	0	0	0	0	109.2
953	G	28.6	Very low	30.1	Very low	74 Å²	74	124.5 Å²	124.5	76%	0.763	78%	0.779	S	S	*	*			cis	-172.3	175	1.8	0	0	0	0	0	109.3
954	A	28.7	Very low	30	Very low	101 Å²	101	124.1 Å²	124.1	84%	0.835	78%	0.777	S	S	*	*			trans	-95.9	146.3	-177.2	0	0	0	0	0	112.4
955	E	31.1	Very low	29.8	Very low	200 Å²	200	122.4 Å²	122.4	94%	0.935	78%	0.777	S	S	*	*			trans	-156.5	173.7	141.9	-119.5	164.8	-148.9	0	0	110.7
956	S	32.9	Very low	29.5	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	78%	0.779	S	S	*	*			trans	-100.5	173	-148.5	57.8	0	0	0	0	117.2
957	D	29.2	Very low	29.2	Very low	153 Å²	153	127.2 Å²	127.2	82%	0.818	79%	0.788	S	S	*	*			trans	-34.1	142.5	171.9	-45.8	-57.3	0	0	0	117.1
958	V	35.2	Very low	29.5	Very low	141 Å²	141	127.8 Å²	127.8	86%	0.855	79%	0.794	S	S	*	*				-169.9	149.5	126.9	138.3	0	0	0	0	110
959	D	29.1	Very low	29.5	Very low	105 Å²	105	123.8 Å²	123.8	56%	0.561	78%	0.783	S	S	*	*			trans	-65.5	144.1	-178.8	-49.1	-66.6	0	0	0	113.5	H738	H738-D959 IonicContact CD2-OD2 3.37Å; H738-D959 IonicContact CE1-OD2 2.68Å; H738-D959 PolarHBondContact CE1-OD2 2.74Å; H738-D959 IonicContact NE2-OD2 3.24Å; H738-D959 PolarHBondContact NE2-OD2 3.34Å
960	S	32.4	Very low	29.6	Very low	118 Å²	118	129.2 Å²	129.2	83%	0.825	79%	0.794	S	S	*	*				178.9	148.5	120.5	-82.9	0	0	0	0	115.6
961	N	28.8	Very low	29.4	Very low	170 Å²	170	126.9 Å²	126.9	91%	0.909	79%	0.789	S	S	*	*			trans	-47.6	141.5	175.2	-53.7	-46	0	0	0	115.6
962	G	30	Very low	29.4	Very low	82 Å²	82	125.8 Å²	125.8	85%	0.845	79%	0.787	S	S	*	*			trans	-172.4	86.9	169.7	0	0	0	0	0	113
963	A	27.1	Very low	29.4	Very low	97 Å²	97	126.4 Å²	126.4	80%	0.802	79%	0.786	S	S	*	*			trans	-86.6	143.1	176.9	0	0	0	0	0	111.8
964	S	26.2	Very low	29.4	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	78%	0.783	S	S	*	*				165.6	153.8	129.8	-77.6	0	0	0	0	115.3
965	T	29	Very low	29.5	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	78%	0.784	S	S	*	*			trans	62	105.7	148.1	48.2	0	0	0	0	122.3
966	M	27.7	Very low	29.5	Very low	175 Å²	175	128.3 Å²	128.3	86%	0.862	77%	0.774	S	S	*	*				71.3	116.7	120.1	-67	168.8	63	0	0	121.7
967	S	25.9	Very low	29.5	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	78%	0.778	S	S	*	*			trans	-73	-177.3	156.9	21.9	0	0	0	0	113.1
968	P	35.5	Very low	29.8	Very low	110 Å²	110	130.6 Å²	130.6	71%	0.714	77%	0.773	S	S	*	*			cis	-135.5	-162.9	-15.2	23.8	2	0	0	0	114.3
969	E	27.6	Very low	29.7	Very low	155 Å²	155	133.2 Å²	133.2	72%	0.724	77%	0.768	S	S	*	*			trans	104.2	156.2	148	-50.6	-156.6	143.3	0	0	121.2
970	Y	28.7	Very low	30.2	Very low	215 Å²	215	133.1 Å²	133.1	84%	0.843	77%	0.774	S	S	*	*			trans	66.6	85.2	172.3	-69.3	-78.8	0	0	0	120.9
971	A	27.1	Very low	29.9	Very low	88 Å²	88	134.8 Å²	134.8	73%	0.727	77%	0.772	S	S	*	*			trans	-53.6	162.5	157.8	0	0	0	0	0	115.6
972	S	28.2	Very low	30	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	77%	0.771	S	S	*	*				175.1	113.9	116.8	-76.8	0	0	0	0	116.7
973	T	28.1	Very low	29.9	Very low	130 Å²	130	135.8 Å²	135.8	80%	0.798	77%	0.77	S	S	*	*			trans	67.7	151.7	133.6	64	0	0	0	0	124.8
974	S	29.5	Very low	30	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	77%	0.77	S	S	*	*			trans	79.5	133.2	160.1	83.6	0	0	0	0	117
975	M	30.8	Very low	30.3	Very low	174 Å²	174	137.9 Å²	137.9	86%	0.857	78%	0.779	S	S	*	*			cis	-130.1	150.2	-12.4	-64.2	-171.2	-178.9	0	0	108.5
976	L	30.6	Very low	30.4	Very low	138 Å²	138	140.4 Å²	140.4	72%	0.723	79%	0.787	S	S	*	*			cis	86.4	70.3	28.6	-150.4	-179.9	0	0	0	114.5
977	H	33.9	Very low	30.7	Very low	175 Å²	175	136.5 Å²	136.5	81%	0.81	78%	0.782	S	S	*	*			trans	-152.7	154.5	148	-93.2	57.2	0	0	0	104.7
978	D	33.9	Very low	31	Very low	132 Å²	132	140.9 Å²	140.9	71%	0.706	79%	0.791	S	S	*	*			cis	-142.7	-158.1	0.5	-148.3	-42.4	0	0	0	109.9
979	Y	34.8	Very low	30.8	Very low	196 Å²	196	144 Å²	144	77%	0.769	80%	0.801	S	S	*	*			trans	-129.1	170.2	-165.1	-87.8	-91.1	0	0	0	114.8
980	P	38.3	Very low	31.1	Very low	103 Å²	103	143.6 Å²	143.6	67%	0.669	80%	0.804	S	S	*	*			cis	-132.6	-170.6	-0.1	25.3	-0.3	0	0	0	116.1
981	I	27.1	Very low	31.3	Very low	153 Å²	153	141.6 Å²	141.6	79%	0.785	80%	0.802	S	S	*	*	S	Bend	trans	82.5	53.1	161.1	-30.8	-177.8	0	0	0	117.4
982	L	30.6	Very low	31.6	Very low	172 Å²	172	146.1 Å²	146.1	90%	0.901	81%	0.808	S	S	*	*	S	Bend	trans	-156.5	160.4	136.2	-138.1	71.4	0	0	0	111.5
983	A	28.5	Very low	31.8	Very low	100 Å²	100	152.3 Å²	152.3	83%	0.826	82%	0.816	S	S	*	*			trans	55.8	88.3	166.9	0	0	0	0	0	119
984	A	29	Very low	32	Very low	96 Å²	96	154.1 Å²	154.1	79%	0.793	82%	0.82	S	S	*	*			trans	-157.9	73	160.7	0	0	0	0	0	114.5
985	T	31.5	Very low	32.1	Very low	151 Å²	151	153.9 Å²	153.9	93%	0.926	82%	0.824	S	S	*	*			trans	-164.3	74.5	155.7	40.8	0	0	0	0	111.1
986	L	31.9	Very low	32.2	Very low	171 Å²	171	150.1 Å²	150.1	90%	0.895	82%	0.82	S	S	*	*	S	Bend	trans	-149.4	133.3	161.1	-142	159.8	0	0	0	107.7
987	A	32.6	Very low	32.1	Very low	93 Å²	93	149.5 Å²	149.5	77%	0.769	82%	0.822	S	S	*	*	S	Bend	trans	62.3	65.3	178	0	0	0	0	0	118
988	Q	32.5	Very low	32	Very low	201 Å²	201	148.2 Å²	148.2	94%	0.939	82%	0.821	S	S	*	*			trans	-147.9	75.9	144.3	-135	176.1	19.2	0	0	114
989	L	32.1	Very low	31.7	Very low	176 Å²	176	147.9 Å²	147.9	92%	0.921	82%	0.823	S	S	*	*			trans	-145.1	88	161	-152.4	172	0	0	0	107.9
990	N	33.2	Very low	31.5	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	82%	0.824	S	S	*	*			trans	-152.2	154.5	-176.4	-159.6	-8.3	0	0	0	110.6
991	Q	32.4	Very low	30.9	Very low	172 Å²	172	145 Å²	145	80%	0.804	83%	0.831	S	S	*	*			trans	66.8	92.3	178	-57.1	-169.4	-2.4	0	0	118.7
992	Q	35	Very low	30.7	Very low	183 Å²	183	146.2 Å²	146.2	86%	0.855	84%	0.836	S	S	*	*				179.9	139.1	123.9	-95.2	175.9	41.6	0	0	107.1
993	R	32.5	Very low	30.4	Very low	234 Å²	234	145.2 Å²	145.2	88%	0.883	83%	0.832	S	S	*	*			cis	-129.3	165.3	25.7	-69.4	176.2	164	178.6	-5.7	114.1
994	L	31.1	Very low	30.4	Very low	168 Å²	168	147.7 Å²	147.7	88%	0.88	83%	0.829	S	S	*	*			trans	-88.6	176.2	170.4	-94.2	70.5	0	0	0	113.1
995	A	31.5	Very low	30.2	Very low	97 Å²	97	150.3 Å²	150.3	80%	0.802	83%	0.825	S	S	*	*			trans	91.8	83.2	145.7	0	0	0	0	0	120.7
996	A	32.6	Very low	30.2	Very low	95 Å²	95	148.8 Å²	148.8	79%	0.785	82%	0.818	S	S	*	*			trans	177.8	98	134.2	0	0	0	0	0	107
997	T	30.2	Very low	30	Very low	125 Å²	125	145.1 Å²	145.1	77%	0.767	80%	0.799	S	S	*	*				66.5	135.5	64.4	-37.6	0	0	0	0	113.3
998	L	31.6	Very low	29.8	Very low	148 Å²	148	148.2 Å²	148.2	78%	0.775	80%	0.802	S	S	*	*			trans	76.7	97.3	177	-56.5	-176.3	0	0	0	115.1
999	T	27.1	Very low	29.8	Very low	124 Å²	124	147.2 Å²	147.2	76%	0.761	79%	0.791	S	S	*	*				87.1	153.3	83.9	52.6	0	0	0	0	113.7
1000	P	30.6	Very low	29.8	Very low	119 Å²	119	144 Å²	144	77%	0.773	78%	0.781	S	S	*	*			trans	-100.6	-165.6	-142.2	41	-39.9	0	0	0	114.5
1001	S	25	Very low	29.5	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	78%	0.776	S	S	*	*			trans	104.5	172.4	171	81.8	0	0	0	0	115.6
1002	M	23.1	Very low	29.6	Very low	180 Å²	180	138.4 Å²	138.4	89%	0.887	77%	0.771	S	S	*	*			trans	-83.9	173.2	-157.7	-59.5	165.4	167.5	0	0	113.7
1003	N	24.4	Very low	29.5	Very low	151 Å²	151	136.9 Å²	136.9	81%	0.807	77%	0.768	S	S	*	*			trans	100.6	162.8	135.7	-154.1	12.9	0	0	0	118.3
1004	I	27.8	Very low	29.7	Very low	151 Å²	151	130 Å²	130	77%	0.774	75%	0.754	S	S	*	*			trans	90.4	127.4	163.3	-56.2	164.8	0	0	0	117
1005	Q	25.5	Very low	29.7	Very low	151 Å²	151	128.9 Å²	128.9	71%	0.706	75%	0.748	S	S	*	*			trans	-97.7	175.5	177.5	-53.8	168.9	-90.4	0	0	111.6
1006	P	30.7	Very low	29.6	Very low	119 Å²	119	129.8 Å²	129.8	77%	0.773	74%	0.74	S	S	*	*				-116.8	142.3	106.5	33.9	-33.9	0	0	0	111.6
1007	N	28.1	Very low	29.4	Very low	94 Å²	94	132.8 Å²	132.8	50%	0.503	74%	0.741	S	S	.	*				65.8	135.6	59.9	-69.6	-40.6	0	0	0	112.7
1008	L	30	Very low	29.3	Very low	158 Å²	158	130.2 Å²	130.2	83%	0.827	74%	0.74	S	S	*	*			cis	-130.9	134	18	-76.7	83.8	0	0	0	114.3
1009	Y	30.8	Very low	29.1	Very low	181 Å²	181	128.5 Å²	128.5	71%	0.71	74%	0.74	S	S	*	*				36.9	155	117.6	-80	-98.3	0	0	0	122.4
1010	P	33.1	Very low	29.1	Very low	109 Å²	109	127.5 Å²	127.5	71%	0.708	74%	0.738	S	S	*	*			cis	-138.3	147.1	22	32.8	-10.7	0	0	0	120.5
1011	C	26.6	Very low	28.8	Very low	101 Å²	101	127 Å²	127	68%	0.682	74%	0.737	S	S	*	*			trans	63.5	136.7	136.2	-63	0	0	0	0	121.1
1012	S	34	Very low	28.7	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	73%	0.734	S	S	*	*			cis	-157.8	126.5	1.7	-84.1	0	0	0	0	113.3
1013	N	32.4	Very low	28.9	Very low	150 Å²	150	125.5 Å²	125.5	80%	0.802	73%	0.732	S	S	*	*				42.6	158.7	108.7	-94.8	19.4	0	0	0	122.5
1014	P	37.5	Very low	28.9	Very low	91 Å²	91	123 Å²	123	59%	0.591	73%	0.726	S	S	*	*			cis	-148.8	-173.7	-30.1	34	-10.7	0	0	0	117.3
1015	L	31	Very low	28.7	Very low	143 Å²	143	121 Å²	121	75%	0.749	72%	0.72	S	S	*	*			trans	81.7	142.1	156.6	-46.7	-177.1	0	0	0	119
1016	N	30.6	Very low	28.6	Very low	116 Å²	116	120.5 Å²	120.5	62%	0.62	72%	0.723	S	S	*	*			cis	-157.6	144.6	-6.7	-119.7	-3.8	0	0	0	115.2
1017	I	27.3	Very low	28.4	Very low	158 Å²	158	121.9 Å²	121.9	81%	0.81	72%	0.717	S	S	*	*			trans	39.5	135.9	132.1	-61.2	171.3	0	0	0	119.3
1018	G	29.1	Very low	28.3	Very low	72 Å²	72	124.2 Å²	124.2	74%	0.742	73%	0.729	S	S	*	*			cis	-178.6	-155.9	11.3	0	0	0	0	0	115.5
1019	S	26.7	Very low	28	Very low	111 Å²	111	122.1 Å²	122.1	78%	0.776	72%	0.718	S	S	*	*			trans	-113.7	162.1	-146.2	55.3	0	0	0	0	118.8
1020	S	25.8	Very low	27.8	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	72%	0.72	S	S	*	*			trans	87.1	138.7	135.8	66.8	0	0	0	0	124.1
1021	S	25.3	Very low	27.4	Very low	107 Å²	107	119 Å²	119	75%	0.748	71%	0.713	S	S	*	*			trans	96.1	136.2	146.9	77.3	0	0	0	0	122.3
1022	N	23.9	Very low	27.4	Very low	143 Å²	143	121.1 Å²	121.1	77%	0.765	72%	0.718	S	S	*	*			trans	58.7	114.1	153.7	-62.5	-3.6	0	0	0	123.1
1023	C	26.1	Very low	27.1	Very low	125 Å²	125	121.2 Å²	121.2	85%	0.845	72%	0.716	S	S	*	*			trans	178.9	125.4	135.9	-99.5	0	0	0	0	107.5
1024	S	23.6	Very low	27.4	Very low	99 Å²	99	119.8 Å²	119.8	69%	0.692	72%	0.715	S	S	*	*			cis	87.2	96.8	16.3	87.8	0	0	0	0	118.3
1025	V	25.1	Very low	26.8	Very low	108 Å²	108	122.4 Å²	122.4	66%	0.655	72%	0.723	S	S	*	*			trans	69.5	105.6	140	-174.7	0	0	0	0	120	F1027	V1025-F1027 HydrophobicContact CG1-CD2 3.78Å; V1025-F1027 HydrophobicContact CG1-CE2 3.93Å
1026	N	23.7	Very low	26.5	Very low	142 Å²	142	122.8 Å²	122.8	76%	0.759	73%	0.726	S	S	*	*				-177.5	127.8	117.3	-92.8	-39.5	0	0	0	108
1027	F	24.8	Very low	26.5	Very low	147 Å²	147	122.4 Å²	122.4	65%	0.645	73%	0.732	S	S	*	*				58	122.9	65.5	-62.6	-57.3	0	0	0	111.6	V1025 I1029	V1025-F1027 HydrophobicContact CG1-CD2 3.78Å; V1025-F1027 HydrophobicContact CG1-CE2 3.93Å; F1027-I1029 HydrophobicContact CD1-CD1 3.55Å; F1027-I1029 HydrophobicContact CD1-CG1 3.97Å; F1027-I1029 HydrophobicContact CE1-CD1 3.98Å; F1027-I1029 HydrophobicContact CG-CD1 4.47Å
1028	N	26.3	Very low	26.8	Very low	143 Å²	143	119.4 Å²	119.4	77%	0.765	72%	0.723	S	S	*	*			cis	-126.9	146.5	33.8	-71.5	-48.5	0	0	0	112.1
1029	I	25.1	Very low	26.7	Very low	114 Å²	114	125.2 Å²	125.2	59%	0.585	73%	0.728	S	S	*	*				63.3	96.1	59.2	-53.8	170.7	0	0	0	112.5	F1027	F1027-I1029 HydrophobicContact CD1-CD1 3.55Å; F1027-I1029 HydrophobicContact CD1-CG1 3.97Å; F1027-I1029 HydrophobicContact CE1-CD1 3.98Å; F1027-I1029 HydrophobicContact CG-CD1 4.47Å
1030	L	25.3	Very low	26.6	Very low	145 Å²	145	124 Å²	124	76%	0.759	72%	0.719	S	S	*	*				-168.6	114	116.6	-110.2	96.5	0	0	0	104.6
1031	S	24.8	Very low	26.6	Very low	80 Å²	80	125.4 Å²	125.4	56%	0.559	72%	0.719	S	S	*	*				45	121.1	87.9	74.2	0	0	0	0	112.7
1032	N	26.6	Very low	26.6	Very low	146 Å²	146	127.4 Å²	127.4	78%	0.781	72%	0.721	S	S	*	*				-161.4	173.9	76.5	-96.1	-38.3	0	0	0	114
1033	P	28.9	Very low	26.8	Very low	102 Å²	102	124.7 Å²	124.7	66%	0.662	71%	0.713	S	S	*	*			trans	-103.9	-169.8	-152.5	46.3	-41.2	0	0	0	112.7
1034	P	38	Very low	26.7	Very low	119 Å²	119	125.5 Å²	125.5	77%	0.773	71%	0.709	S	S	*	*			trans	-85.7	147.7	-172	34.9	-32.3	0	0	0	113.5
1035	L	24.6	Very low	26.8	Very low	147 Å²	147	127.5 Å²	127.5	77%	0.77	71%	0.711	S	S	*	*			trans	-156.2	122.6	161.3	-86.3	121.7	0	0	0	105.8
1036	N	24.7	Very low	26.9	Very low	150 Å²	150	128.7 Å²	128.7	80%	0.802	71%	0.712	S	S	*	*				75.4	140.6	82.1	-75	1.3	0	0	0	115.3
1037	S	31.6	Very low	27.1	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	71%	0.708	S	S	*	*			trans	-59.2	171.8	167.3	53	0	0	0	0	112.4
1038	P	32.5	Very low	27.3	Very low	95 Å²	95	127.7 Å²	127.7	62%	0.617	71%	0.714	S	S	*	*			cis	-139.6	-175.2	17.5	40.5	-20	0	0	0	115.5
1039	F	28.3	Very low	27.4	Very low	195 Å²	195	125.1 Å²	125.1	86%	0.855	71%	0.707	S	S	*	*				179.1	142.8	110.2	-103.2	-70.9	0	0	0	112.8
1040	S	24.7	Very low	27.5	Very low	84 Å²	84	124.7 Å²	124.7	59%	0.587	71%	0.714	S	S	*	*			trans	-101.3	162.8	174.8	59.2	0	0	0	0	112.2
1041	N	25.7	Very low	27.7	Very low	134 Å²	134	123 Å²	123	72%	0.717	71%	0.71	S	S	*	*			trans	71.6	134.9	152.6	-66.2	-26.8	0	0	0	120.7
1042	N	25.5	Very low	27.7	Very low	149 Å²	149	130.1 Å²	130.1	80%	0.797	73%	0.726	S	S	*	*			trans	73.9	138.3	146	-65	-21	0	0	0	119.3
1043	S	26.3	Very low	27.8	Very low	86 Å²	86	126.8 Å²	126.8	60%	0.601	73%	0.726	S	S	*	*			cis	-165.7	152	-10.3	50.7	0	0	0	0	114
1044	N	25.7	Very low	27.7	Very low	142 Å²	142	128.3 Å²	128.3	76%	0.759	73%	0.728	S	S	*	*			trans	67.9	161.1	144.3	-67.5	-20.1	0	0	0	121.1
1045	I	25.4	Very low	27.3	Very low	141 Å²	141	129.6 Å²	129.6	72%	0.723	73%	0.728	S	S	*	*			trans	77.6	101.7	160.8	-68.6	144.3	0	0	0	115.2
1046	I	26	Very low	27.3	Very low	133 Å²	133	129 Å²	129	68%	0.682	73%	0.725	S	S	*	*				78.3	125.5	66.5	-70.7	165.8	0	0	0	110.5
1047	N	27.6	Very low	27.4	Very low	126 Å²	126	126.3 Å²	126.3	67%	0.674	72%	0.718	S	S	*	*			cis	-168.8	-173.6	-2.2	-117.2	-2.7	0	0	0	111.2
1048	N	29.6	Very low	27.3	Very low	143 Å²	143	129.8 Å²	129.8	77%	0.765	72%	0.722	S	S	*	*			trans	85.4	140.4	146.7	-72.6	-16.4	0	0	0	119
1049	S	29.3	Very low	27	Very low	89 Å²	89	133.3 Å²	133.3	62%	0.622	73%	0.727	S	S	*	*			cis	-165.5	153.4	-8.3	43.4	0	0	0	0	114.8
1050	S	27.4	Very low	26.9	Very low	104 Å²	104	130 Å²	130	73%	0.727	72%	0.719	S	S	*	*			trans	69.7	151.9	146.7	64.4	0	0	0	0	117.3
1051	T	28.6	Very low	27.1	Very low	110 Å²	110	133 Å²	133	68%	0.675	73%	0.728	S	S	*	*			cis	-150.8	124.8	23.6	-46.2	0	0	0	0	112.2
1052	Y	25.4	Very low	27.1	Very low	230 Å²	230	135.6 Å²	135.6	90%	0.902	73%	0.734	S	S	*	*			trans	52.5	143.4	155.6	-73.3	-129	0	0	0	118.4
1053	G	27.7	Very low	26.9	Very low	76 Å²	76	134.5 Å²	134.5	78%	0.784	73%	0.727	S	S	*	*			cis	159	176	7.6	0	0	0	0	0	106.8
1054	N	26.2	Very low	26.9	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	73%	0.734	S	S	*	*			cis	-164.4	-179	-9.3	-172.6	4.8	0	0	0	105.9
1055	I	31	Very low	26.8	Very low	147 Å²	147	136.2 Å²	136.2	75%	0.754	74%	0.737	S	S	*	*			trans	70.4	98.4	171.8	-49.2	168.9	0	0	0	112.6
1056	N	24.6	Very low	26.9	Very low	133 Å²	133	137 Å²	137	71%	0.711	74%	0.74	S	S	*	*			cis	67.2	115.2	45.5	-66.2	-35.2	0	0	0	116.8
1057	S	26.2	Very low	26.8	Very low	94 Å²	94	137.4 Å²	137.4	66%	0.657	74%	0.743	S	S	*	*			trans	35.3	119	140.1	65.7	0	0	0	0	121.5
1058	H	29.4	Very low	26.7	Very low	181 Å²	181	136.1 Å²	136.1	84%	0.838	74%	0.74	S	S	*	*			trans	-159.5	124.4	133.6	-90.5	-70	0	0	0	106.6
1059	K	26.5	Very low	26.5	Very low	169 Å²	169	136.2 Å²	136.2	74%	0.735	74%	0.739	S	S	*	*			cis	68.6	119.1	15.1	-144.2	-178.3	-173.2	-179.5	0	114.7
1060	N	26	Very low	26.4	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	75%	0.749	S	S	*	*			trans	78.5	118.7	-179.2	-50.8	-24.5	0	0	0	112.5
1061	N	28.3	Very low	26.6	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	75%	0.747	S	S	*	*				80.2	157.7	67.5	-82.7	-16.6	0	0	0	113.6
1062	F	25.5	Very low	26.7	Very low	190 Å²	190	142.6 Å²	142.6	83%	0.833	75%	0.749	S	S	*	*			trans	82.8	140.1	-173.5	-69.3	-103.3	0	0	0	115.9
1063	L	23.2	Very low	26.8	Very low	126 Å²	126	137.6 Å²	137.6	66%	0.66	74%	0.737	S	S	*	*			cis	163.8	127.1	-33.8	-99.7	162.8	0	0	0	106.5
1064	I	25	Very low	26.6	Very low	147 Å²	147	139.7 Å²	139.7	75%	0.754	73%	0.73	S	S	*	*			trans	45.3	104.1	148.5	-52.6	172.9	0	0	0	119
1065	S	24.3	Very low	26.6	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	73%	0.733	S	S	*	*				-171.8	130.8	127.8	26.8	0	0	0	0	106.7
1066	M	26.1	Very low	26.3	Very low	159 Å²	159	141 Å²	141	78%	0.783	74%	0.735	S	S	*	*			cis	65.9	100.5	23.9	-109.2	-62.2	176.9	0	0	114
1067	N	24.9	Very low	26.6	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	74%	0.739	S	S	*	*			trans	115.4	126.2	173.8	-65.3	-28.6	0	0	0	112.7
1068	T	25.7	Very low	27.2	Very low	100 Å²	100	141.4 Å²	141.4	61%	0.613	74%	0.735	S	S	*	*			cis	156.2	159.4	-10.8	31.2	0	0	0	0	105
1069	I	26	Very low	27.3	Very low	145 Å²	145	141 Å²	141	74%	0.744	73%	0.733	S	S	*	*			trans	74.1	135.2	167.4	-60.1	146	0	0	0	111.8
1070	Q	25.8	Very low	27.4	Very low	180 Å²	180	137 Å²	137	84%	0.841	73%	0.726	S	S	*	*			cis	-141	144.3	22.4	-151.7	141.5	-29.4	0	0	113.9
1071	Q	31.6	Very low	27.4	Very low	146 Å²	146	138.4 Å²	138.4	68%	0.682	73%	0.731	S	S	*	*			trans	-80.1	157.6	159.3	-106.2	178.9	2.1	0	0	109.6	L1073	Q1071-L1073 HydrophobicContact CG-CG 4.42Å
1072	P	32	Very low	27.3	Very low	111 Å²	111	141.4 Å²	141.4	72%	0.721	73%	0.733	S	S	*	*				-127.6	161.7	61.1	12.2	13.6	0	0	0	113.6
1073	L	25.8	Very low	27.4	Very low	124 Å²	124	139.1 Å²	139.1	65%	0.649	73%	0.729	S	S	*	*				61.5	142.5	59.3	-46	166.1	0	0	0	111.3	Q1071	Q1071-L1073 HydrophobicContact CG-CG 4.42Å
1074	L	24.5	Very low	27.4	Very low	120 Å²	120	140.4 Å²	140.4	63%	0.628	73%	0.734	S	S	*	*			cis	-165	156.8	46.8	-75.3	164.5	0	0	0	111.7
1075	F	25.4	Very low	27.5	Very low	179 Å²	179	138.4 Å²	138.4	79%	0.785	72%	0.722	S	S	*	*			trans	58.6	147.3	144	-58.8	-28.4	0	0	0	120.5
1076	T	26.4	Very low	27.6	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	71%	0.71	S	S	*	*			cis	-155.5	151.2	-5.9	5.3	0	0	0	0	112.1
1077	N	30.1	Very low	27.7	Very low	150 Å²	150	133.4 Å²	133.4	80%	0.802	69%	0.686	S	S	*	*			trans	-80.2	-179	158	-135.1	-1.8	0	0	0	108.9
1078	P	39	Very low	27.9	Very low	86 Å²	86	131.5 Å²	131.5	56%	0.558	68%	0.675	S	S	*	*			cis	-137.4	-158.1	-11.4	41.7	-22.1	0	0	0	113.4
1079	H	31.3	Very low	28.3	Very low	172 Å²	172	131.2 Å²	131.2	80%	0.796	67%	0.674	S	S	*	*			trans	119.2	150.2	154.2	-68.7	-75.1	0	0	0	115.9
1080	S	28.2	Very low	28.7	Very low	85 Å²	85	128.6 Å²	128.6	59%	0.594	67%	0.665	S	S	*	*			cis	159.1	102	-38.5	163.9	0	0	0	0	110.2
1081	M	25.4	Very low	29.1	Very low	158 Å²	158	128.6 Å²	128.6	78%	0.778	66%	0.662	S	S	*	*			trans	59.8	160.9	157.9	-61.4	175.4	64.4	0	0	118.1
1082	Y	26.2	Very low	29.4	Very low	208 Å²	208	126.7 Å²	126.7	82%	0.816	66%	0.66	S	S	*	*			trans	65.2	148.4	-172.3	-57.1	-88.9	0	0	0	113.8
1083	D	28.4	Very low	29.6	Very low	142 Å²	142	127 Å²	127	76%	0.759	66%	0.661	S	S	*	*			cis	-145.2	175.1	-6.3	-137.6	-22.4	0	0	0	114.6
1084	M	24.3	Very low	30.2	Very low	153 Å²	153	126.2 Å²	126.2	75%	0.754	66%	0.661	S	S	*	*			trans	-85.7	129.6	-176.8	-171.3	-173.2	-52.7	0	0	112.9
1085	M	25.3	Very low	30.7	Very low	105 Å²	105	127 Å²	127	52%	0.517	67%	0.67	S	S	.	*			trans	72.1	173.6	155.2	-165.9	168.9	55.4	0	0	117.7	T1106 K1107	M1085-T1106 WeakPolarHBondContact CE-O 3.3Å; M1085-T1106 VanDerWaalsContact SD-C 3.52Å; M1085-K1107 PolarHBondContact SD-N 2.88Å
1086	M	28	Very low	31.3	Very low	111 Å²	111	122.1 Å²	122.1	55%	0.547	66%	0.664	S	S	.	*			trans	88	138.3	162	-53.4	-64.9	-82	0	0	118.5	K1107	M1086-K1107 HydrophobicContact CE-CB 4.19Å; M1086-K1107 HydrophobicContact CE-CD 3.86Å; M1086-K1107 HydrophobicContact SD-CB 3.78Å; M1086-K1107 HydrophobicContact SD-CD 4.47Å
1087	M	28	Very low	31.7	Very low	58 Å²	58	122.7 Å²	122.7	29%	0.286	67%	0.667	S	S	.	*			cis	-172.7	167.5	-19.8	-152.9	-164.7	147.6	0	0	111.9	K1107 L1108	M1087-K1107 HydrophobicContact CE-CB 3.74Å; M1087-K1107 HydrophobicContact CE-CD 3.72Å; M1087-K1107 HydrophobicContact CE-CG 3.97Å; M1087-K1107 HydrophobicContact CG-CB 3.86Å; M1087-K1107 HydrophobicContact SD-CB 3.65Å; M1087-K1107 HydrophobicContact SD-CD 3.63Å; M1087-K1107 HydrophobicContact SD-CG 4.16Å; M1087-L1108 WeakPolarHBondContact CA-O 3.46Å; M1087-L1108 HydrophobicContact CE-CB 3.62Å; M1087-L1108 HydrophobicContact CE-CD1 4.04Å; M1087-L1108 HydrophobicContact CE-CD2 3.8Å; M1087-L1108 HydrophobicContact CE-CG 4.01Å; M1087-L1108 HydrophobicContact CG-CB 3.63Å; M1087-L1108 HydrophobicContact SD-CB 4.43Å
1088	L	29.3	Very low	32	Very low	100 Å²	100	120.1 Å²	120.1	52%	0.524	67%	0.667	S	S	.	*			trans	74.1	146.6	159.3	-58.5	151.4	0	0	0	115.1	L1108 S1109	L1088-L1108 HydrophobicContact CD2-CD2 4.48Å; L1088-S1109 WeakPolarHBondContact CA-OG 3.4Å
1089	T	32.9	Very low	31.7	Very low	94 Å²	94	120 Å²	120	58%	0.577	67%	0.673	S	S	*	*			cis	-167.3	151.5	5.8	9.1	0	0	0	0	106.7
1090	T	34.4	Very low	31.8	Very low	91 Å²	91	119 Å²	119	56%	0.558	67%	0.672	S	S	*	*			cis	-167.6	-173.8	-9.6	13	0	0	0	0	106.2
1091	K	35.4	Very low	32	Very low	179 Å²	179	120.5 Å²	120.5	78%	0.778	68%	0.677	S	S	*	*			cis	-155.3	-151.7	5.6	-120.6	161.8	-179.9	176.2	0	103.1
1092	T	36.8	Very low	32.5	Very low	107 Å²	107	118.7 Å²	118.7	66%	0.656	68%	0.676	S	S	*	*			cis	-161.6	143.2	-30.1	20.1	0	0	0	0	104.2
1093	T	37.2	Very low	32.9	Very low	118 Å²	118	113.9 Å²	113.9	72%	0.724	67%	0.673	S	S	*	*			cis	-149.6	-126.7	-17.3	14.4	0	0	0	0	105
1094	T	37.4	Very low	33.4	Very low	107 Å²	107	111.8 Å²	111.8	66%	0.656	67%	0.667	S	S	*	*			cis	-159.5	126.8	-8.8	-30.5	0	0	0	0	109.5
1095	T	36.2	Very low	33.8	Very low	135 Å²	135	109.8 Å²	109.8	83%	0.828	66%	0.663	S	S	*	*			trans	57.5	139.5	155.8	43	0	0	0	0	121.1
1096	A	36.4	Very low	34.1	Very low	78 Å²	78	108.9 Å²	108.9	65%	0.645	66%	0.663	S	S	*	*			cis	-157.4	154.2	0.3	0	0	0	0	0	113.8
1097	T	36.2	Very low	34.2	Very low	139 Å²	139	109 Å²	109	85%	0.853	66%	0.66	S	S	*	*			trans	46.3	127.1	147.4	52.2	0	0	0	0	120.3
1098	A	35.1	Very low	34.1	Very low	97 Å²	97	111 Å²	111	80%	0.802	67%	0.672	S	S	*	*			cis	-161.9	-161.9	4.9	0	0	0	0	0	108.9
1099	A	34	Very low	34	Very low	82 Å²	82	108.2 Å²	108.2	68%	0.678	66%	0.661	S	S	*	*			cis	-160.2	169.1	9.1	0	0	0	0	0	113.4
1100	I	32.1	Very low	33.9	Very low	152 Å²	152	110.9 Å²	110.9	78%	0.779	67%	0.672	S	S	*	*			trans	21.3	113.4	131.5	-58.2	171.6	0	0	0	115.1
1101	T	34	Very low	33.6	Very low	116 Å²	116	110.3 Å²	110.3	71%	0.712	68%	0.683	S	S	*	*			cis	-168.4	156.2	20.2	18.6	0	0	0	0	108.8
1102	T	35.4	Very low	33.2	Very low	121 Å²	121	109.8 Å²	109.8	74%	0.742	69%	0.687	S	S	*	*			cis	-176.1	159.4	-16.3	22.6	0	0	0	0	106.9
1103	S	33.8	Very low	32.8	Very low	107 Å²	107	114 Å²	114	75%	0.748	70%	0.7	S	S	*	*			cis	-146.2	-102.4	-8.1	30	0	0	0	0	113.3
1104	P	39.9	Very low	32.3	Very low	98 Å²	98	113.4 Å²	113.4	64%	0.636	70%	0.7	S	S	*	*			trans	-130.6	-178.3	-154.9	36.1	-9.8	0	0	0	114.5	T1106	P1104-T1106 HydrophobicContact CB-CG2 4.25Å
1105	V	32.6	Very low	31.9	Very low	111 Å²	111	113.5 Å²	113.5	67%	0.673	71%	0.706	S	S	*	*			cis	-146.2	99.6	36.2	173	0	0	0	0	109
1106	T	30.9	Very low	31.5	Very low	85 Å²	85	116 Å²	116	52%	0.521	71%	0.708	S	S	.	*				56.1	131.5	93.1	71.3	0	0	0	0	115.2	M1085 P1104	M1085-T1106 WeakPolarHBondContact CE-O 3.3Å; M1085-T1106 VanDerWaalsContact SD-C 3.52Å; P1104-T1106 HydrophobicContact CB-CG2 4.25Å
1107	K	29.9	Very low	31	Very low	113 Å²	113	119.8 Å²	119.8	49%	0.491	72%	0.715	S	S	.	*				-168.5	150.5	59.3	-81.5	158.6	167.4	177.5	0	113.6	M1085 M1086 M1087	M1085-K1107 PolarHBondContact SD-N 2.88Å; M1086-K1107 HydrophobicContact CE-CB 4.19Å; M1086-K1107 HydrophobicContact CE-CD 3.86Å; M1086-K1107 HydrophobicContact SD-CB 3.78Å; M1086-K1107 HydrophobicContact SD-CD 4.47Å; M1087-K1107 HydrophobicContact CE-CB 3.74Å; M1087-K1107 HydrophobicContact CE-CD 3.72Å; M1087-K1107 HydrophobicContact CE-CG 3.97Å; M1087-K1107 HydrophobicContact CG-CB 3.86Å; M1087-K1107 HydrophobicContact SD-CB 3.65Å; M1087-K1107 HydrophobicContact SD-CD 3.63Å; M1087-K1107 HydrophobicContact SD-CG 4.16Å
1108	L	26.9	Very low	30.6	Very low	101 Å²	101	117 Å²	117	53%	0.529	71%	0.714	S	S	.	*			trans	36.3	158	143.7	-83.2	80.8	0	0	0	122.4	M1087 L1088	M1087-L1108 WeakPolarHBondContact CA-O 3.46Å; M1087-L1108 HydrophobicContact CE-CB 3.62Å; M1087-L1108 HydrophobicContact CE-CD1 4.04Å; M1087-L1108 HydrophobicContact CE-CD2 3.8Å; M1087-L1108 HydrophobicContact CE-CG 4.01Å; M1087-L1108 HydrophobicContact CG-CB 3.63Å; M1087-L1108 HydrophobicContact SD-CB 4.43Å; L1088-L1108 HydrophobicContact CD2-CD2 4.48Å
1109	S	27.8	Very low	30	Very low	42 Å²	42	118.9 Å²	118.9	29%	0.294	71%	0.71	S	S	.	*			cis	-171	140.5	-13.7	50.3	0	0	0	0	113.7	L1088	L1088-S1109 WeakPolarHBondContact CA-OG 3.4Å
1110	N	30.4	Very low	29.7	Very low	150 Å²	150	123.2 Å²	123.2	80%	0.802	72%	0.721	S	S	*	*			trans	8.7	141.2	151.2	-54	7.9	0	0	0	122.5
1111	G	28.3	Very low	29.3	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	72%	0.718	S	S	*	*			trans	-166.8	98	153.9	0	0	0	0	0	112.5
1112	I	26.1	Very low	29.1	Very low	168 Å²	168	124.6 Å²	124.6	86%	0.862	72%	0.724	S	S	*	*			trans	-120.5	139.5	172	-65.9	174.8	0	0	0	108.1
1113	Q	28.3	Very low	28.7	Very low	196 Å²	196	124.3 Å²	124.3	92%	0.916	72%	0.722	S	S	*	*			trans	-139.3	148.3	162.7	-157.4	169.4	12	0	0	110.1
1114	S	26.9	Very low	28.4	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	73%	0.73	S	S	*	*			trans	-139.8	131.3	-166	58.4	0	0	0	0	112.8
1115	S	29.5	Very low	28.1	Very low	110 Å²	110	127.8 Å²	127.8	77%	0.769	74%	0.74	S	S	*	*			trans	-166.2	141.2	169.8	45.5	0	0	0	0	108.8
1116	Q	28.3	Very low	28	Very low	187 Å²	187	129.1 Å²	129.1	87%	0.874	74%	0.743	S	S	*	*			cis	-155.2	159.9	-11.4	-156.7	160.1	-26.9	0	0	109.3
1117	I	24.6	Very low	28.2	Very low	157 Å²	157	131 Å²	131	81%	0.805	75%	0.75	S	S	*	*			trans	-83.7	135.8	174.3	-65.4	169.4	0	0	0	109.6	L1119	I1117-L1119 HydrophobicContact CG2-CB 4.25Å
1118	G	28.3	Very low	28.4	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	76%	0.762	S	S	*	*			trans	-127.8	117.7	163.1	0	0	0	0	0	109.4
1119	L	23.4	Very low	28.8	Very low	138 Å²	138	131.9 Å²	131.9	72%	0.723	77%	0.768	S	S	*	*			trans	-142.5	116.8	-176.3	-172.5	161.2	0	0	0	108.3	I1117	I1117-L1119 HydrophobicContact CG2-CB 4.25Å
1120	L	26.7	Very low	29.1	Very low	173 Å²	173	136.1 Å²	136.1	91%	0.906	79%	0.788	S	S	*	*			trans	-139.3	144	173.2	-80.3	176.9	0	0	0	110.9
1121	T	24.5	Very low	29.1	Very low	116 Å²	116	135 Å²	135	71%	0.712	78%	0.782	S	S	*	*			trans	-133.1	116.5	-178.7	50	0	0	0	0	109.6
1122	E	29	Very low	29.4	Very low	181 Å²	181	139.5 Å²	139.5	85%	0.846	78%	0.781	S	S	*	*			trans	-148.9	113.3	167.2	-93.7	162.9	-153.2	0	0	105.7
1123	T	26.5	Very low	29.5	Very low	114 Å²	114	140.5 Å²	140.5	70%	0.699	77%	0.774	S	S	*	*				88.1	124.1	55.7	60.1	0	0	0	0	115.3
1124	H	27.8	Very low	29.6	Very low	197 Å²	197	140.5 Å²	140.5	91%	0.912	77%	0.767	S	S	*	*			trans	69.8	117.8	161	-70.4	-66.8	0	0	0	121.1
1125	G	32.8	Very low	29.7	Very low	82 Å²	82	138.8 Å²	138.8	85%	0.845	77%	0.767	S	S	*	*			trans	-159.8	132.4	155.8	0	0	0	0	0	108.1
1126	N	31.4	Very low	29.7	Very low	139 Å²	139	138.8 Å²	138.8	74%	0.743	76%	0.762	S	S	*	*			trans	-131.4	154.1	-167.8	-174.3	23.9	0	0	0	111.3
1127	N	34.2	Very low	29.8	Very low	125 Å²	125	138 Å²	138	67%	0.668	76%	0.758	S	S	*	*			trans	158.7	123.6	139.6	-81.9	-27.5	0	0	0	114.7
1128	N	35.3	Very low	30	Very low	137 Å²	137	135.2 Å²	135.2	73%	0.733	75%	0.753	S	S	*	*				64.3	145.9	129.7	-59.3	-20.9	0	0	0	121.5
1129	S	34.3	Very low	30.2	Very low	95 Å²	95	138.3 Å²	138.3	66%	0.664	75%	0.75	S	S	*	*			cis	-167.9	157.7	-0.9	44.7	0	0	0	0	115.7
1130	N	34.5	Very low	30.5	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	75%	0.75	S	S	*	*			trans	67.7	116.5	146.6	-63.2	-11.9	0	0	0	121.4
1131	N	31.8	Very low	30.5	Very low	126 Å²	126	135.3 Å²	135.3	67%	0.674	74%	0.738	S	S	*	*				84.6	142.3	88.7	-68.8	-28.4	0	0	0	114.4
1132	H	33.6	Very low	30.7	Very low	173 Å²	173	138 Å²	138	80%	0.801	74%	0.743	S	S	*	*			cis	-145.5	-160.6	14	-81.8	-56.5	0	0	0	110
1133	R	27.9	Very low	30.6	Very low	188 Å²	188	136.2 Å²	136.2	71%	0.709	74%	0.738	S	S	*	*				-167.5	162.8	-67.7	-170	174.8	-172.9	-164.2	2.7	109.1
1134	Y	31.5	Very low	30.7	Very low	196 Å²	196	136.3 Å²	136.3	77%	0.769	74%	0.739	S	S	*	*			trans	79.1	147.4	176	-50.5	-76.8	0	0	0	115.1
1135	G	29.2	Very low	30.6	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	73%	0.731	S	S	*	*			cis	127.2	149.8	4.2	0	0	0	0	0	111.1
1136	V	29.2	Very low	30.5	Very low	110 Å²	110	139.5 Å²	139.5	67%	0.667	73%	0.73	S	S	*	*			cis	-160.8	158.6	7.7	173.3	0	0	0	0	108.8
1137	E	30.8	Very low	30.4	Very low	170 Å²	170	139.7 Å²	139.7	79%	0.794	73%	0.726	S	S	*	*			trans	56.5	140.5	165.4	-77.1	140.4	-157.9	0	0	118.8
1138	S	28.7	Very low	30.1	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	72%	0.721	S	S	*	*			cis	80.1	111.4	17.4	84.1	0	0	0	0	118
1139	D	30.9	Very low	29.7	Very low	145 Å²	145	138.4 Å²	138.4	78%	0.775	72%	0.719	S	S	*	*				-168.3	164.5	129.6	-127.6	-26.5	0	0	0	116.2
1140	I	30.7	Very low	29.5	Very low	141 Å²	141	144 Å²	144	72%	0.723	73%	0.727	S	S	*	*			trans	59	122	159.1	-61.9	157.6	0	0	0	118.2
1141	V	26.5	Very low	29	Very low	106 Å²	106	145.7 Å²	145.7	64%	0.642	73%	0.731	S	S	*	*			cis	114.6	126.3	12	172	0	0	0	0	113.2
1142	Q	27.6	Very low	28.8	Very low	174 Å²	174	144.8 Å²	144.8	81%	0.813	73%	0.734	S	S	*	*			trans	66.2	149.8	171.8	-71.7	158.2	-0.4	0	0	115.5
1143	N	26.9	Very low	28.7	Very low	142 Å²	142	145 Å²	145	76%	0.759	74%	0.736	S	S	*	*			cis	-151.5	176.7	6	-134.8	-1.9	0	0	0	108.5
1144	V	28.7	Very low	28.7	Very low	117 Å²	117	143.3 Å²	143.3	71%	0.709	74%	0.741	S	S	*	*			cis	-142.7	-129.8	4.9	63.7	0	0	0	0	110.7
1145	F	26.1	Very low	28.6	Very low	172 Å²	172	142 Å²	142	75%	0.754	74%	0.742	S	S	*	*			trans	-155.9	165.3	-171.1	-114.9	-101.6	0	0	0	112.8
1146	Q	30.1	Very low	28.9	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	74%	0.744	S	S	*	*			trans	120.2	130.7	154.9	-63.4	-178	7.6	0	0	114.8
1147	Q	29.5	Very low	28.8	Very low	143 Å²	143	148.2 Å²	148.2	67%	0.668	75%	0.748	S	S	*	*			cis	77.7	143.6	35.6	-66	-163.6	-23.5	0	0	113.9
1148	N	28.3	Very low	28.5	Very low	104 Å²	104	150.3 Å²	150.3	56%	0.556	75%	0.75	S	S	*	*			cis	-167.4	155.9	-0.4	-112.9	-10.8	0	0	0	112.4
1149	N	26.8	Very low	28.8	Very low	131 Å²	131	152.7 Å²	152.7	70%	0.701	76%	0.755	S	S	*	*			trans	58.2	166.9	139.5	-64.5	-21.4	0	0	0	125.2
1150	Y	29.8	Very low	28.6	Very low	211 Å²	211	149.4 Å²	149.4	83%	0.827	75%	0.748	S	S	*	*			trans	113.2	119.1	161.9	-69.6	-72	0	0	0	114.5
1151	Q	25.1	Very low	28.4	Very low	168 Å²	168	153 Å²	153	79%	0.785	75%	0.754	S	S	*	*			cis	98.4	131.4	12.9	-158.4	-177.9	48.9	0	0	116.3
1152	S	27.8	Very low	28.6	Very low	106 Å²	106	155.6 Å²	155.6	74%	0.741	77%	0.765	S	S	*	*			trans	77.9	157.9	178.1	83	0	0	0	0	115.4
1153	Q	31.4	Very low	28.6	Very low	177 Å²	177	154.1 Å²	154.1	83%	0.827	76%	0.762	S	S	*	*			cis	-155.8	167.2	2.5	-144.5	160	1.9	0	0	112
1154	N	27.3	Very low	28.8	Very low	153 Å²	153	153.5 Å²	153.5	82%	0.818	77%	0.765	S	S	*	*			trans	-112.1	143.1	174.2	-88	-8.8	0	0	0	111.2
1155	Q	30	Very low	29	Very low	169 Å²	169	153.2 Å²	153.2	79%	0.79	76%	0.764	S	S	*	*			trans	-174.4	153.2	146.6	-111.5	160.4	-6.6	0	0	115.8
1156	Q	34.4	Very low	29.5	Very low	162 Å²	162	149.8 Å²	149.8	76%	0.757	76%	0.759	S	S	*	*			trans	63.1	122.2	159.4	-65.3	157.5	3	0	0	117.4
1157	I	26.7	Very low	29.4	Very low	149 Å²	149	147.1 Å²	147.1	76%	0.764	76%	0.759	S	S	*	*			cis	93.6	126.7	15.7	-46.4	169.7	0	0	0	115.9
1158	Y	25.6	Very low	29.4	Very low	213 Å²	213	144.9 Å²	144.9	84%	0.835	77%	0.765	S	S	*	*			trans	104.5	150.2	166	-85.3	-67	0	0	0	120.1
1159	D	33.7	Very low	29.5	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	77%	0.774	S	S	*	*			trans	64.1	146.5	173.3	-55	-17.9	0	0	0	120.4
1160	A	27.5	Very low	29.6	Very low	77 Å²	77	145.4 Å²	145.4	64%	0.636	77%	0.773	S	S	*	*				175.9	142.3	-73.2	0	0	0	0	0	109.3
1161	Y	25.6	Very low	29.5	Very low	216 Å²	216	144.6 Å²	144.6	85%	0.847	77%	0.77	S	S	*	*			trans	51.9	109.4	172.4	-65.9	-80.3	0	0	0	119.4
1162	N	31.2	Very low	29.8	Very low	161 Å²	161	145 Å²	145	86%	0.861	77%	0.765	S	S	*	*				-176.2	155.8	102.7	-92.2	-48.4	0	0	0	112.8
1163	L	28.4	Very low	30	Very low	143 Å²	143	145.3 Å²	145.3	75%	0.749	77%	0.765	S	S	*	*			trans	-100.4	155	177.7	-121.8	72.2	0	0	0	110.5	T1165	L1163-T1165 HydrophobicContact CD2-CG2 3.78Å; L1163-T1165 HydrophobicContact CG-CG2 4.28Å
1164	P	31.3	Very low	29.8	Very low	129 Å²	129	143 Å²	143	84%	0.838	76%	0.763	S	S	*	*				-145.1	-179.1	92.5	36.3	-18.2	0	0	0	115.8
1165	T	32.4	Very low	29.9	Very low	111 Å²	111	141.8 Å²	141.8	68%	0.681	76%	0.761	S	S	*	*			trans	-131.9	-177.4	-164.3	53	0	0	0	0	111.3	L1163	L1163-T1165 HydrophobicContact CD2-CG2 3.78Å; L1163-T1165 HydrophobicContact CG-CG2 4.28Å
1166	P	36.3	Very low	29.9	Very low	100 Å²	100	142.8 Å²	142.8	65%	0.649	77%	0.766	S	S	*	*				-139.1	160.9	-51.9	37.7	-22.2	0	0	0	114.5
1167	S	27.8	Very low	29.5	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	77%	0.768	S	S	*	*			trans	-165.7	151.2	158.8	55.7	0	0	0	0	113.8
1168	A	30.8	Very low	29.8	Very low	96 Å²	96	143.9 Å²	143.9	79%	0.793	77%	0.771	S	S	*	*	S	Bend	trans	77.4	167.9	172.4	0	0	0	0	0	116
1169	P	30.4	Very low	29.9	Very low	113 Å²	113	140.4 Å²	140.4	73%	0.734	77%	0.765	S	S	*	*			trans	-87.6	167.7	-138.2	34.2	-39.5	0	0	0	117.4	Y1171	P1169-Y1171 PolarHBondContact O-N 3.35Å; P1169-Y1171 VanDerWaalsContact O-N 3.13Å
1170	I	27.3	Very low	29.9	Very low	133 Å²	133	139 Å²	139	68%	0.682	76%	0.764	S	S	*	*			trans	-76.9	95.1	-173	-53.8	174.6	0	0	0	111.4	Y1172	I1170-Y1172 HydrophobicContact CG2-CE2 4.45Å
1171	Y	29.3	Very low	30.1	Very low	194 Å²	194	139.6 Å²	139.6	76%	0.761	76%	0.764	S	S	*	*			trans	-70.3	136.4	151.9	-90.2	-90.2	0	0	0	109.9	P1169 P1173	P1169-Y1171 PolarHBondContact O-N 3.35Å; P1169-Y1171 VanDerWaalsContact O-N 3.13Å; Y1171-P1173 WeakPolarHBondContact O-CD 3.26Å
1172	Y	30.2	Very low	30.4	Very low	177 Å²	177	135.1 Å²	135.1	69%	0.694	76%	0.759	S	S	*	*			trans	-87.1	112	159.1	-83.6	-87.3	0	0	0	108.8	Q877 I1170 T1174	Q877-Y1172 PolarHBondContact NE2-OH 2.85Å; Q877-Y1172 VanDerWaalsContact NE2-OH 3.16Å; I1170-Y1172 HydrophobicContact CG2-CE2 4.45Å; Y1172-T1174 PolarHBondContact O-N 3.03Å
1173	P	31.6	Very low	30.5	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	75%	0.753	S	S	*	*			trans	-69.6	128.3	170.6	28.9	-32.8	0	0	0	109.7	Y1171	Y1171-P1173 WeakPolarHBondContact O-CD 3.26Å
1174	T	28.6	Very low	30.6	Very low	128 Å²	128	130.4 Å²	130.4	79%	0.785	75%	0.748	S	S	*	*	S	Bend	trans	-64.5	146.3	162.5	36.8	0	0	0	0	109.9	Y1172	Y1172-T1174 PolarHBondContact O-N 3.03Å
1175	T	28	Very low	30.7	Very low	129 Å²	129	129.5 Å²	129.5	79%	0.791	73%	0.732	S	S	*	*			trans	55.7	100.6	176.4	54.6	0	0	0	0	117.1
1176	H	30.3	Very low	30.7	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.875	73%	0.729	S	S	*	*			trans	-140.1	134.4	143.1	-114	-85.1	0	0	0	110.5
1177	Q	27.1	Very low	30.5	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	74%	0.736	S	S	*	*			trans	-83.3	136.3	177.4	-66.5	173.3	-20.4	0	0	110.1
1178	I	32	Very low	30.8	Very low	160 Å²	160	134.6 Å²	134.6	82%	0.821	73%	0.727	S	S	*	*			trans	-122.8	125.9	163.6	-61.9	-179.1	0	0	0	107.8	P1180	I1178-P1180 WeakPolarHBondContact O-CD 3.49Å
1179	I	28.9	Very low	30.4	Very low	140 Å²	140	135.5 Å²	135.5	72%	0.718	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-97.6	116.3	-173.5	-62.7	167.8	0	0	0	109.9
1180	P	33.8	Very low	30.4	Very low	120 Å²	120	135.9 Å²	135.9	78%	0.779	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-80.8	125.7	146.8	31.9	-29	0	0	0	108.9	I1178	I1178-P1180 WeakPolarHBondContact O-CD 3.49Å
1181	S	31.7	Very low	30.4	Very low	90 Å²	90	137.6 Å²	137.6	63%	0.629	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-81.2	134.1	-171.8	52.7	0	0	0	0	113.9
1182	T	32.1	Very low	30.4	Very low	121 Å²	121	133.8 Å²	133.8	74%	0.742	73%	0.727	S	S	*	*			trans	56.9	138.3	145.7	54.4	0	0	0	0	119.2
1183	I	31.8	Very low	30.3	Very low	144 Å²	144	130.6 Å²	130.6	74%	0.738	73%	0.73	S	S	*	*			cis	-162.5	151.2	6.7	-95.4	151.2	0	0	0	104.6
1184	G	30.8	Very low	30.3	Very low	61 Å²	61	131.3 Å²	131.3	63%	0.629	73%	0.733	S	S	*	*			cis	161	161.9	-4.3	0	0	0	0	0	111.3
1185	Q	34.3	Very low	30.3	Very low	111 Å²	111	133.9 Å²	133.9	52%	0.519	74%	0.736	S	S	.	*			trans	60.3	119.8	165	-56.6	173.9	-31.2	0	0	117.4
1186	Y	31.6	Very low	30.4	Very low	155 Å²	155	134 Å²	134	61%	0.608	74%	0.737	S	S	*	*				-159.7	153.6	65.4	-106.7	-83.2	0	0	0	114.2	E9	E9-Y1186 WeakPolarHBondContact OE2-CE1 3.29Å; E9-Y1186 VanDerWaalsContact OE2-CZ 3.25Å; E9-Y1186 PolarHBondContact OE2-OH 3.39Å
1187	F	31.7	Very low	30.3	Very low	180 Å²	180	131.5 Å²	131.5	79%	0.789	74%	0.735	S	S	*	*			trans	-125.2	-179	169.6	-105.8	-68.2	0	0	0	106.5
1188	P	33.7	Very low	30.5	Very low	99 Å²	99	126.8 Å²	126.8	64%	0.643	73%	0.734	S	S	*	*			cis	-144.8	173.9	30.4	44.1	-24.4	0	0	0	118	I1190	P1188-I1190 HydrophobicContact CG-CG1 4.39Å
1189	C	23.6	Very low	30.5	Very low	115 Å²	115	127.8 Å²	127.8	78%	0.777	74%	0.74	S	S	*	*			trans	-68.1	147.4	155.3	-55.5	0	0	0	0	110.5
1190	I	30.6	Very low	30.5	Very low	121 Å²	121	126.1 Å²	126.1	62%	0.621	74%	0.74	S	S	*	*			trans	-124.2	111.8	169.9	-61.1	-176.3	0	0	0	109.7	P1188 T1192	P1188-I1190 HydrophobicContact CG-CG1 4.39Å; I1190-T1192 HydrophobicContact CG2-CG2 3.63Å; I1190-T1192 WeakPolarHBondContact CG2-OG1 3.19Å
1191	I	26	Very low	30.3	Very low	170 Å²	170	130.7 Å²	130.7	87%	0.872	75%	0.748	S	S	*	*			trans	-96.9	110.8	158.5	-61.5	173.7	0	0	0	106.3
1192	T	30.9	Very low	30.2	Very low	114 Å²	114	133.8 Å²	133.8	70%	0.699	76%	0.756	S	S	*	*			trans	-139.5	112.8	172.3	44.2	0	0	0	0	111.3	I1190	I1190-T1192 HydrophobicContact CG2-CG2 3.63Å; I1190-T1192 WeakPolarHBondContact CG2-OG1 3.19Å
1193	S	27.4	Very low	30.1	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	76%	0.762	S	S	*	*			trans	-93	123.8	169.3	54.9	0	0	0	0	111.2
1194	T	32	Very low	30	Very low	128 Å²	128	130.9 Å²	130.9	79%	0.785	76%	0.759	S	S	*	*			trans	-161.2	114.7	149.2	34.3	0	0	0	0	111.7
1195	Q	27.8	Very low	29.8	Very low	181 Å²	181	134 Å²	134	85%	0.846	77%	0.77	S	S	*	*			trans	28.8	123.3	137.2	-58	174.1	-5.4	0	0	120
1196	T	30.2	Very low	29.6	Very low	131 Å²	131	133.6 Å²	133.6	80%	0.804	78%	0.78	S	S	*	*				-165.6	120.8	106.2	28.1	0	0	0	0	113.6
1197	T	29	Very low	29.5	Very low	137 Å²	137	131.6 Å²	131.6	84%	0.84	79%	0.789	S	S	*	*			trans	49.1	123.8	142.5	59.2	0	0	0	0	123.2
1198	G	29.9	Very low	29.2	Very low	76 Å²	76	126.5 Å²	126.5	78%	0.784	79%	0.787	S	S	*	*			trans	100	127.9	154.7	0	0	0	0	0	114.8
1199	L	33.2	Very low	29.2	Very low	181 Å²	181	130.3 Å²	130.3	95%	0.948	80%	0.8	S	S	*	*			cis	-136.2	147.7	-4.5	-79.8	161.8	0	0	0	108.8
1200	S	28.3	Very low	29.5	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	80%	0.799	S	S	*	*			trans	-121.5	123.2	-179.3	57.7	0	0	0	0	112
1201	F	30	Very low	29.9	Very low	216 Å²	216	128 Å²	128	95%	0.947	80%	0.799	S	S	*	*			trans	-102.4	116.7	158.2	-84	-81.3	0	0	0	109.1
1202	I	28.5	Very low	30.4	Very low	155 Å²	155	129.4 Å²	129.4	80%	0.795	80%	0.802	S	S	*	*			trans	-126.1	126.6	165.7	-63.5	176.1	0	0	0	106.3
1203	S	31.2	Very low	30.6	Very low	123 Å²	123	128.3 Å²	128.3	86%	0.86	80%	0.795	S	S	*	*			trans	-123	116	167.3	54.6	0	0	0	0	108.3
1204	A	28.7	Very low	31	Very low	82 Å²	82	129.7 Å²	129.7	68%	0.678	80%	0.799	S	S	*	*			trans	-108.7	165.9	177.6	0	0	0	0	0	110.8
1205	S	27.9	Very low	31	Very low	125 Å²	125	129.7 Å²	129.7	87%	0.874	79%	0.793	S	S	*	*			trans	66.5	147.9	-172.8	78.3	0	0	0	0	113.9
1206	S	29.6	Very low	31.2	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	79%	0.786	S	S	*	*			cis	-146.5	165.3	25.5	57.4	0	0	0	0	115.1
1207	S	28.5	Very low	31.4	Very low	112 Å²	112	125.3 Å²	125.3	78%	0.783	79%	0.785	S	S	*	*			trans	9.9	116.8	155	56.3	0	0	0	0	121.2
1208	G	27.2	Very low	31.4	Very low	73 Å²	73	123.9 Å²	123.9	75%	0.753	78%	0.78	S	S	*	*				89.6	112.3	118.6	0	0	0	0	0	119.9
1209	I	32.2	Very low	31.4	Very low	180 Å²	180	125.8 Å²	125.8	92%	0.923	78%	0.782	S	S	*	*				-154.7	154.2	125	-101.3	155.6	0	0	0	108
1210	A	30	Very low	31.5	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	78%	0.778	S	S	*	*			trans	-105.4	176.6	-162.9	0	0	0	0	0	112.7
1211	P	38.7	Very low	31.5	Very low	98 Å²	98	123.7 Å²	123.7	64%	0.636	78%	0.782	S	S	*	*			trans	-113.5	-170.7	-146.3	43.8	-37.9	0	0	0	114.3
1212	H	37.3	Very low	31.6	Very low	199 Å²	199	123.7 Å²	123.7	92%	0.921	78%	0.782	S	S	*	*			trans	-127.8	119.1	146.6	-96.5	-71.7	0	0	0	112.3
1213	T	35.7	Very low	31.6	Very low	91 Å²	91	120.8 Å²	120.8	56%	0.558	78%	0.775	S	S	*	*			trans	-128	140.8	177.2	-43.7	0	0	0	0	108.3	L1215	T1213-L1215 HydrophobicContact CG2-CG 4.38Å
1214	V	35.6	Very low	31.7	Very low	138 Å²	138	122.5 Å²	122.5	84%	0.836	78%	0.775	S	S	*	*			trans	-134.4	94.1	154.7	-174.6	0	0	0	0	105.7
1215	L	31.3	Very low	31.9	Very low	128 Å²	128	121.7 Å²	121.7	67%	0.67	77%	0.774	S	S	*	*				75.1	137.6	69.2	-65.9	168.1	0	0	0	111.6	T1213	T1213-L1215 HydrophobicContact CG2-CG 4.38Å
1216	S	32.5	Very low	32.1	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	77%	0.771	S	S	*	*			cis	-170	-161.9	-2.3	48.7	0	0	0	0	110.2
1217	P	34.6	Very low	32.2	Very low	121 Å²	121	123.3 Å²	123.3	79%	0.786	77%	0.77	S	S	*	*				-128.4	-178.3	-80.4	40.5	-24.7	0	0	0	113.4
1218	S	29	Very low	32.4	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	77%	0.768	S	S	*	*			trans	-95.7	167.3	172	57.5	0	0	0	0	113.7
1219	S	30.4	Very low	32.6	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	76%	0.763	S	S	*	*			trans	81	123.6	163.2	79.8	0	0	0	0	119.6
1220	S	34.1	Very low	32.5	Very low	126 Å²	126	125.5 Å²	125.5	88%	0.881	75%	0.754	S	S	*	*				-162.4	142.8	115.2	51.8	0	0	0	0	109.9
1221	S	28.8	Very low	32.5	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	76%	0.755	S	S	*	*			trans	-107	136.7	176.9	52	0	0	0	0	110.6
1222	K	32.7	Very low	32	Very low	216 Å²	216	127.4 Å²	127.4	94%	0.939	77%	0.766	S	S	*	*			trans	-158.4	146.3	161.1	-114.4	163.8	-172.7	176.4	0	110.9
1223	S	28.5	Very low	31.5	Very low	95 Å²	95	124.5 Å²	124.5	66%	0.664	76%	0.762	S	S	*	*			trans	-95.3	155.9	-175.1	56.7	0	0	0	0	112.3
1224	N	32.8	Very low	31.2	Very low	158 Å²	158	124.2 Å²	124.2	85%	0.845	77%	0.769	S	S	*	*				162.3	149.7	120.5	-79.7	-5.9	0	0	0	111
1225	G	32.2	Very low	30.8	Very low	65 Å²	65	124.3 Å²	124.3	67%	0.67	77%	0.77	S	S	*	*			trans	112.3	77.7	151.1	0	0	0	0	0	118.8
1226	N	33	Very low	30.9	Very low	149 Å²	149	122.8 Å²	122.8	80%	0.797	78%	0.776	S	S	*	*				60.3	114.6	125.2	-61.4	5.9	0	0	0	121.3
1227	T	31	Very low	30.8	Very low	115 Å²	115	124.8 Å²	124.8	71%	0.706	78%	0.779	S	S	*	*				33.4	146.6	117.7	52.2	0	0	0	0	120.8
1228	M	32.2	Very low	30.9	Very low	154 Å²	154	125 Å²	125	76%	0.759	77%	0.773	S	S	*	*			cis	-164.1	142.7	29.2	-136.3	164.2	-162.6	0	0	113.6
1229	N	31.1	Very low	31.3	Very low	120 Å²	120	126 Å²	126	64%	0.642	77%	0.77	S	S	*	*			trans	34.9	152.6	137.1	-60.8	5.1	0	0	0	125.3
1230	N	31.3	Very low	31.7	Very low	136 Å²	136	126.4 Å²	126.4	73%	0.727	76%	0.763	S	S	*	*			trans	96	104.6	143	-72.7	-3.5	0	0	0	122.3
1231	T	29.6	Very low	31.9	Very low	125 Å²	125	126.3 Å²	126.3	77%	0.767	75%	0.753	S	S	*	*				32.7	130.6	122.2	61.3	0	0	0	0	121.5
1232	A	28.3	Very low	32.1	Very low	104 Å²	104	126.6 Å²	126.6	86%	0.86	75%	0.745	S	S	*	*				-176.8	162.2	119.7	0	0	0	0	0	114.7
1233	T	26.6	Very low	31.9	Very low	138 Å²	138	122.9 Å²	122.9	85%	0.847	74%	0.735	S	S	*	*			trans	-79.7	161.7	178	48.8	0	0	0	0	115.9
1234	A	29.4	Very low	31.9	Very low	85 Å²	85	123.3 Å²	123.3	70%	0.702	73%	0.734	S	S	*	*			trans	142.1	124.6	148.3	0	0	0	0	0	110.3
1235	T	26.6	Very low	31.5	Very low	140 Å²	140	122.5 Å²	122.5	86%	0.859	73%	0.729	S	S	*	*			cis	78.9	88.3	47.9	68	0	0	0	0	116.8
1236	A	33.6	Very low	31.2	Very low	96 Å²	96	127.1 Å²	127.1	79%	0.793	74%	0.737	S	S	*	*			trans	-164.8	124.4	146.9	0	0	0	0	0	106.9
1237	N	31	Very low	30.9	Very low	141 Å²	141	123.6 Å²	123.6	75%	0.754	74%	0.736	S	S	*	*			cis	83	106.4	28.6	-155.5	45.6	0	0	0	114.9
1238	N	37.7	Very low	30.6	Very low	125 Å²	125	130.2 Å²	130.2	67%	0.668	75%	0.748	S	S	*	*			trans	155.9	112.3	152.9	-82.2	-16.5	0	0	0	109.1
1239	N	37.2	Very low	30.3	Very low	127 Å²	127	126.7 Å²	126.7	68%	0.679	75%	0.751	S	S	*	*				79.6	132	88.2	-65.3	-9	0	0	0	112.1
1240	N	38.4	Very low	30.1	Very low	124 Å²	124	124.6 Å²	124.6	66%	0.663	76%	0.758	S	S	*	*			cis	-157.3	150.7	30.4	-100.6	-36.5	0	0	0	112.8
1241	N	38	Very low	29.8	Very low	124 Å²	124	126.9 Å²	126.9	66%	0.663	76%	0.764	S	S	*	*			trans	58.2	143.2	136.2	-55	-12.8	0	0	0	120.8
1242	N	33.6	Very low	29.7	Very low	121 Å²	121	127.4 Å²	127.4	65%	0.647	76%	0.761	S	S	*	*			cis	-163	158.8	-3.1	-116.5	-5.4	0	0	0	112.8
1243	L	28.5	Very low	29.6	Very low	139 Å²	139	128.9 Å²	128.9	73%	0.728	75%	0.754	S	S	*	*			trans	23.9	144.1	137	-89.5	62.9	0	0	0	121.5
1244	T	26.9	Very low	29.6	Very low	104 Å²	104	128.8 Å²	128.8	64%	0.638	75%	0.749	S	S	*	*			cis	-179.8	166.9	-13.4	14.5	0	0	0	0	110.9
1245	L	26.3	Very low	29.4	Very low	141 Å²	141	132.3 Å²	132.3	74%	0.738	75%	0.75	S	S	*	*			trans	65.7	127.6	142.9	-70.6	160.1	0	0	0	121.3
1246	L	24.8	Very low	29.4	Very low	162 Å²	162	133.8 Å²	133.8	85%	0.848	74%	0.741	S	S	*	*			trans	55.2	115.9	137.8	-61.2	171.8	0	0	0	120.6
1247	G	26.3	Very low	29.1	Very low	74 Å²	74	137 Å²	137	76%	0.763	74%	0.737	S	S	*	*				124.5	113.1	106.9	0	0	0	0	0	119.7
1248	R	26	Very low	29.1	Very low	254 Å²	254	135.1 Å²	135.1	96%	0.958	74%	0.735	S	S	*	*				66.8	72.7	126.5	-157.2	-172.1	-166.2	176.9	5.1	119.5
1249	G	25.4	Very low	29	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	74%	0.739	S	S	*	*			trans	85.7	166.3	133.3	0	0	0	0	0	118.9
1250	G	27.2	Very low	28.7	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	75%	0.747	S	S	*	*			trans	96.1	104.8	-176.2	0	0	0	0	0	111.8
1251	H	25.2	Very low	28.5	Very low	184 Å²	184	142.4 Å²	142.4	85%	0.852	76%	0.755	S	S	*	*				73.3	137.6	73	-118.2	-69.3	0	0	0	115.7
1252	I	26.8	Very low	28.3	Very low	135 Å²	135	141.5 Å²	141.5	69%	0.692	75%	0.75	S	S	*	*			trans	84.9	91.3	158.9	-53.9	160.1	0	0	0	117.7
1253	N	25.1	Very low	28.3	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	75%	0.752	S	S	*	*				63.4	159.5	123.3	-54.9	3.2	0	0	0	123.8
1254	N	26.9	Very low	28.5	Very low	136 Å²	136	140.8 Å²	140.8	73%	0.727	75%	0.751	S	S	*	*			trans	87	107.1	159.4	-62.7	-6.3	0	0	0	119.3
1255	E	25.8	Very low	28.8	Very low	158 Å²	158	141.5 Å²	141.5	74%	0.738	76%	0.755	S	S	*	*				29	138.3	122.3	-50.7	-176.1	122.6	0	0	120.3
1256	Y	26.2	Very low	29	Very low	171 Å²	171	140.6 Å²	140.6	67%	0.671	75%	0.751	S	S	*	*				-170.7	124	104.9	-117.3	-131	0	0	0	116
1257	K	28.3	Very low	29.2	Very low	163 Å²	163	139 Å²	139	71%	0.709	74%	0.742	S	S	*	*			trans	54.9	132	140.5	-66.1	-175.2	-179.8	161.4	0	124.6
1258	S	30.9	Very low	29.4	Very low	102 Å²	102	142.3 Å²	142.3	71%	0.713	74%	0.737	S	S	*	*			trans	-89.6	164.9	158.9	163.6	0	0	0	0	112.7
1259	P	35.5	Very low	29.5	Very low	116 Å²	116	137.7 Å²	137.7	75%	0.753	73%	0.727	S	S	*	*			trans	-128.3	140	134	34.7	-23.7	0	0	0	111.9
1260	K	30.3	Very low	29.6	Very low	193 Å²	193	137.7 Å²	137.7	84%	0.839	71%	0.714	S	S	*	*				79.6	113.2	53.5	-80	-164.7	174.3	-170.6	0	116.5
1261	R	34.1	Very low	29.7	Very low	221 Å²	221	141.7 Å²	141.7	83%	0.834	71%	0.712	S	S	*	*				176.1	124.8	125.5	-99.8	-152.7	141.4	131.6	-5.1	111.6
1262	N	34.6	Very low	29.8	Very low	105 Å²	105	140.5 Å²	140.5	56%	0.561	70%	0.704	S	S	*	*				83.2	145.6	89.8	-75.9	43.4	0	0	0	113.1
1263	D	33.9	Very low	29.8	Very low	128 Å²	128	144.4 Å²	144.4	68%	0.684	71%	0.71	S	S	*	*			cis	-162.4	165.3	-6.1	-91.3	-23.1	0	0	0	107.4
1264	V	31.5	Very low	29.9	Very low	117 Å²	117	142 Å²	142	71%	0.709	70%	0.704	S	S	*	*			cis	-171.8	-155.9	-26.2	70.6	0	0	0	0	106.6
1265	V	33.9	Very low	29.9	Very low	119 Å²	119	142 Å²	142	72%	0.721	70%	0.704	S	S	*	*			trans	76.8	128.9	172.5	-172.6	0	0	0	0	116.2
1266	N	30.1	Very low	30.2	Very low	121 Å²	121	140.8 Å²	140.8	65%	0.647	71%	0.707	S	S	*	*			cis	-171.1	152.5	-22.5	-108.1	-7.1	0	0	0	110.7
1267	I	29.6	Very low	30.2	Very low	128 Å²	128	139 Å²	139	66%	0.656	71%	0.709	S	S	*	*			trans	58.1	133.8	132.4	-62.1	174.6	0	0	0	118.5
1268	E	30	Very low	30.1	Very low	144 Å²	144	139.4 Å²	139.4	67%	0.673	71%	0.711	S	S	*	*			cis	-151.9	152.9	13.5	-135.6	149.6	-157.7	0	0	113.6
1269	Q	28.1	Very low	30	Very low	158 Å²	158	141 Å²	141	74%	0.738	71%	0.711	S	S	*	*			trans	21.7	153.1	131.8	-59.1	179.5	56.8	0	0	121.9
1270	S	28	Very low	29.5	Very low	80 Å²	80	141.6 Å²	141.6	56%	0.559	71%	0.708	S	S	*	*			cis	-174.9	168.1	-10.3	56.4	0	0	0	0	111.3
1271	H	28.9	Very low	29.4	Very low	160 Å²	160	141.9 Å²	141.9	74%	0.741	71%	0.709	S	S	*	*			trans	61.8	155.3	145.2	-70.5	-34	0	0	0	119.2
1272	K	28.2	Very low	29	Very low	160 Å²	160	137.5 Å²	137.5	70%	0.696	70%	0.703	S	S	*	*			cis	-163.4	165.3	10.9	-130.4	159.8	-167.3	163.6	0	110.2
1273	R	26.4	Very low	28.7	Very low	216 Å²	216	139.4 Å²	139.4	82%	0.815	72%	0.717	S	S	*	*			trans	48.5	112.9	152.8	-94.5	167.3	172.1	160.2	1.3	118.2
1274	S	26.8	Very low	28.3	Very low	85 Å²	85	142.2 Å²	142.2	59%	0.594	72%	0.724	S	S	*	*			cis	76	136.9	48.8	93.3	0	0	0	0	115.9
1275	D	26.1	Very low	28.1	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	73%	0.731	S	S	*	*			trans	66.9	125.3	161.8	-42.8	-56.4	0	0	0	119.4
1276	V	33.1	Very low	27.7	Very low	131 Å²	131	141.9 Å²	141.9	79%	0.794	73%	0.732	S	S	*	*				-178.1	100.8	114.7	151.1	0	0	0	0	110.8
1277	N	26.2	Very low	27.6	Very low	135 Å²	135	141.2 Å²	141.2	72%	0.722	73%	0.727	S	S	*	*				34.5	120.8	127	-75.6	-45.8	0	0	0	121.1
1278	K	25.7	Very low	27.4	Very low	170 Å²	170	140.7 Å²	140.7	74%	0.739	73%	0.73	S	S	*	*				65.8	114.5	111	-169.1	-163.8	-179.3	-179.1	0	118.5
1279	L	29.1	Very low	27.1	Very low	135 Å²	135	139.6 Å²	139.6	71%	0.707	73%	0.734	S	S	*	*				-167	150	101.8	-124.3	106.4	0	0	0	112.8
1280	D	24.8	Very low	27	Very low	129 Å²	129	139.7 Å²	139.7	69%	0.69	74%	0.739	S	S	*	*			trans	-67.3	158.2	166.7	-45.7	-104	0	0	0	112
1281	F	29.2	Very low	26.8	Very low	199 Å²	199	141 Å²	141	87%	0.873	74%	0.744	S	S	*	*				-158.3	132.6	125.4	-116.5	-73.5	0	0	0	113.1
1282	N	24.3	Very low	26.6	Very low	130 Å²	130	139.8 Å²	139.8	70%	0.695	75%	0.752	S	S	*	*			trans	-71.9	143.9	170.8	-81.3	-88.5	0	0	0	111.6
1283	V	29.9	Very low	26.4	Very low	144 Å²	144	139.1 Å²	139.1	87%	0.873	76%	0.755	S	S	*	*				-145.8	137.2	124.7	176.1	0	0	0	0	109.1
1284	K	24.2	Very low	26.5	Very low	188 Å²	188	134.3 Å²	134.3	82%	0.817	76%	0.755	S	S	*	*			trans	-85.2	139.9	175.1	-60.3	172.1	178.7	176.5	0	111.6
1285	S	28.6	Very low	26.3	Very low	124 Å²	124	139 Å²	139	87%	0.867	77%	0.765	S	S	*	*			trans	-159.1	145.2	140.8	55.3	0	0	0	0	112.4
1286	S	24.9	Very low	26.4	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	76%	0.763	S	S	*	*			trans	-75.2	144.4	-173.1	51.8	0	0	0	0	114.9
1287	L	27.4	Very low	26.1	Very low	106 Å²	106	138 Å²	138	56%	0.555	76%	0.763	S	S	*	*				-156.5	165.7	119.5	-133.5	71.2	0	0	0	111.6
1288	T	24.7	Very low	26.1	Very low	117 Å²	117	141.4 Å²	141.4	72%	0.718	77%	0.767	S	S	*	*			trans	-101.3	169.6	-168.4	48.5	0	0	0	0	114
1289	T	23.7	Very low	26	Very low	121 Å²	121	145 Å²	145	74%	0.742	78%	0.776	S	S	*	*			trans	56.5	106.5	164.7	50.2	0	0	0	0	117.1
1290	N	26.1	Very low	25.9	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	77%	0.771	S	S	*	*			trans	-150.8	132	149.7	-105.9	-37.3	0	0	0	112.8
1291	T	24.7	Very low	26	Very low	107 Å²	107	142 Å²	142	66%	0.656	77%	0.772	S	S	*	*			trans	-45	128.7	176.9	48.6	0	0	0	0	116.1	L1293	T1291-L1293 PolarHBondContact O-N 2.69Å
1292	C	25	Very low	26	Very low	136 Å²	136	139.5 Å²	139.5	92%	0.919	77%	0.768	S	S	*	*			trans	-84.5	93.8	157.6	-71.2	0	0	0	0	109.9
1293	L	24.5	Very low	26.2	Very low	145 Å²	145	142.1 Å²	142.1	76%	0.759	78%	0.775	S	S	*	*			trans	-71.9	128.2	167.9	-74.9	102	0	0	0	110.4	T1291	T1291-L1293 PolarHBondContact O-N 2.69Å
1294	S	26.8	Very low	26.3	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	77%	0.772	S	S	*	*			trans	-73	132	157.8	-174.6	0	0	0	0	109.5
1295	K	24	Very low	26.5	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	76%	0.76	S	S	*	*			trans	-94	91.7	175.8	-71.5	-179.8	179.6	174.4	0	110.4
1296	S	27.7	Very low	26.5	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	75%	0.753	S	S	*	*			trans	-83.9	110.9	155.6	47.9	0	0	0	0	108.7	Y1298	S1296-Y1298 PolarHBondContact O-N 3.35Å
1297	N	27.6	Very low	26.9	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	74%	0.741	S	S	*	*			trans	-71.2	119.3	-179.8	-74	-41.1	0	0	0	110.3	R1299	N1297-R1299 PolarHBondContact O-N 3.22Å
1298	Y	25.4	Very low	26.8	Very low	207 Å²	207	144.6 Å²	144.6	81%	0.812	76%	0.756	S	S	*	*			trans	-62.2	132	173	-84.1	-100.1	0	0	0	111.4	S1296 V1300	S1296-Y1298 PolarHBondContact O-N 3.35Å; Y1298-V1300 HydrophobicContact CD1-CG2 3.84Å
1299	R	24	Very low	27	Very low	246 Å²	246	144.9 Å²	144.9	93%	0.928	76%	0.757	S	S	*	*			trans	-119.1	73.6	158.5	-153.8	179	-159.8	-177.3	6.3	109.3	N1297 S1301	N1297-R1299 PolarHBondContact O-N 3.22Å; R1299-S1301 PolarHBondContact O-N 2.74Å
1300	V	27.3	Very low	27.3	Very low	99 Å²	99	143.7 Å²	143.7	60%	0.6	75%	0.753	S	S	*	*			trans	-60.2	119.1	173	178.5	0	0	0	0	108.7	Y1298 N1302	Y1298-V1300 HydrophobicContact CD1-CG2 3.84Å; V1300-N1302 PolarHBondContact O-N 3.3Å
1301	S	27	Very low	27.4	Very low	102 Å²	102	143.1 Å²	143.1	71%	0.713	75%	0.75	S	S	*	*			trans	-73.1	103.3	171.8	39.3	0	0	0	0	109.4	R1299 H1303	R1299-S1301 PolarHBondContact O-N 2.74Å; S1301-H1303 VanDerWaalsContact C-N 3.3Å; S1301-H1303 PolarHBondContact O-N 3.4Å
1302	N	27.1	Very low	27.8	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	76%	0.758	S	S	*	*			trans	-70.8	78.1	-179.5	-80.9	-20.4	0	0	0	112.5	V1300	V1300-N1302 PolarHBondContact O-N 3.3Å
1303	H	29.8	Very low	27.9	Very low	184 Å²	184	145.2 Å²	145.2	85%	0.852	76%	0.758	S	S	*	*			trans	-129.2	77	163.9	-77.8	-62.4	0	0	0	110.8	S1301	S1301-H1303 VanDerWaalsContact C-N 3.3Å; S1301-H1303 PolarHBondContact O-N 3.4Å
1304	N	31.4	Very low	28.2	Very low	149 Å²	149	149.9 Å²	149.9	80%	0.797	77%	0.765	S	S	*	*			trans	-148.7	107	170.1	-170.3	-4	0	0	0	110.6
1305	P	28.6	Very low	28.2	Very low	88 Å²	88	155.5 Å²	155.5	57%	0.571	77%	0.77	S	S	*	*			trans	-132.1	169	140.9	29.5	-13	0	0	0	112
1306	W	28.6	Very low	28.4	Very low	188 Å²	188	150.1 Å²	150.1	71%	0.712	77%	0.766	S	S	*	*			trans	72.9	139.9	-179.6	-51.7	81.3	0	0	0	113.9	V420	V420-W1306 HydrophobicContact CG1-CB 4.09Å
1307	I	32.6	Very low	28.4	Very low	95 Å²	95	153.9 Å²	153.9	49%	0.487	77%	0.773	S	S	.	*			cis	-126.4	121.8	4.7	-64.2	174	0	0	0	110.7	V420	V420-I1307 WeakPolarHBondContact O-CD1 3.47Å
1308	K	26.8	Very low	28.4	Very low	200 Å²	200	153.6 Å²	153.6	87%	0.87	77%	0.771	S	S	*	*			trans	-94.1	136.6	132.2	-90	-170	174.2	-172.8	0	106.5
1309	V	28.3	Very low	28.6	Very low	123 Å²	123	151.6 Å²	151.6	75%	0.745	77%	0.769	S	S	*	*			trans	147.3	115.9	158.1	158.8	0	0	0	0	110.5
1310	S	29.6	Very low	29.3	Very low	95 Å²	95	145.1 Å²	145.1	66%	0.664	76%	0.758	S	S	*	*			trans	159.9	133.6	148.1	38.9	0	0	0	0	107.8
1311	N	29.4	Very low	29.6	Very low	148 Å²	148	145.2 Å²	145.2	79%	0.791	77%	0.769	S	S	*	*			cis	-150.6	136.4	-4.4	-93.1	-18.5	0	0	0	110.2
1312	S	32.4	Very low	29.8	Very low	117 Å²	117	147.5 Å²	147.5	82%	0.818	77%	0.769	S	S	*	*			trans	-156.4	76.2	162.4	68.6	0	0	0	0	113.8
1313	N	26.6	Very low	29.8	Very low	171 Å²	171	149.1 Å²	149.1	91%	0.914	76%	0.764	S	S	*	*			trans	-78.4	127.8	160.4	-77.9	-3.6	0	0	0	109.4
1314	R	30.3	Very low	29.7	Very low	243 Å²	243	149.9 Å²	149.9	92%	0.917	76%	0.759	S	S	*	*			trans	-148.9	147	159.8	-163.9	169.1	-73.8	-148.4	0.2	110.2
1315	Y	27.7	Very low	29.8	Very low	234 Å²	234	149 Å²	149	92%	0.918	75%	0.75	S	S	*	*			trans	-78.6	156.9	-165.3	-91	-114	0	0	0	115.7
1316	G	28.3	Very low	30.2	Very low	68 Å²	68	151.2 Å²	151.2	70%	0.701	75%	0.753	S	S	*	*			trans	90	150.5	149.2	0	0	0	0	0	117.1
1317	E	26.8	Very low	30.5	Very low	180 Å²	180	148.3 Å²	148.3	84%	0.841	75%	0.751	S	S	*	*			cis	-167.4	166.1	-15.4	-133.9	179.3	152.5	0	0	110.3
1318	L	28.2	Very low	30.8	Very low	143 Å²	143	151 Å²	151	75%	0.749	76%	0.762	S	S	*	*			trans	62.6	117.1	166.1	-91.5	75.6	0	0	0	122
1319	E	29	Very low	31.2	Very low	165 Å²	165	147 Å²	147	77%	0.771	75%	0.75	S	S	*	*				75.6	131.2	127.4	-81.1	-69.9	93.8	0	0	123.8
1320	P	39.7	Very low	31.5	Very low	110 Å²	110	147.7 Å²	147.7	71%	0.714	75%	0.749	S	S	*	*			trans	-109.5	169.4	174.1	41.6	-31.5	0	0	0	114.1
1321	A	32.2	Very low	31.6	Very low	100 Å²	100	150 Å²	150	83%	0.826	75%	0.753	S	S	*	*			trans	-138.7	137.7	164.3	0	0	0	0	0	113.5
1322	Q	31.3	Very low	32	Very low	151 Å²	151	147.9 Å²	147.9	71%	0.706	75%	0.747	S	S	*	*			trans	-55.9	172	175.2	-51.3	168.5	-3.4	0	0	112.1
1323	R	28.3	Very low	32.5	Very low	180 Å²	180	147.5 Å²	147.5	68%	0.679	74%	0.742	S	S	*	*			cis	-176.8	128.4	38.5	-166.1	175.2	-78.2	-175.7	-2	112.6
1324	R	27.6	Very low	32.9	Very low	199 Å²	199	145.9 Å²	145.9	75%	0.751	74%	0.739	S	S	*	*			trans	59.1	168.3	146.6	-64	-179.7	-163.5	177.9	1.5	118.1
1325	Q	32.8	Very low	33.4	Very low	131 Å²	131	139.7 Å²	139.7	61%	0.612	73%	0.73	S	S	*	*			cis	-157	164.7	6.6	-136.8	155	-60.6	0	0	112.6
1326	H	36.5	Very low	33.6	Very low	135 Å²	135	134.2 Å²	134.2	63%	0.625	73%	0.726	S	S	*	*			trans	75.6	120.2	149.2	-76.9	-55.8	0	0	0	123.6
1327	D	36.9	Very low	33.8	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	73%	0.728	S	S	*	*				79.9	140.2	124.5	-58.6	-4.5	0	0	0	121.4
1328	E	37.2	Very low	34.6	Very low	150 Å²	150	133 Å²	133	70%	0.701	72%	0.724	S	S	*	*			cis	-155.5	152.1	1.8	-129.6	-166.5	151.6	0	0	112.9
1329	N	35.8	Very low	35.9	Very low	116 Å²	116	131.9 Å²	131.9	62%	0.62	73%	0.725	S	S	*	*			trans	60.6	147.7	148	-63.2	-19.7	0	0	0	120.9
1330	L	34.1	Very low	36.5	Very low	138 Å²	138	129.7 Å²	129.7	72%	0.723	73%	0.725	S	S	*	*			cis	-167.6	160.7	-0.9	-136.3	71.9	0	0	0	106.6
1331	L	32.9	Very low	36.6	Very low	143 Å²	143	130.5 Å²	130.5	75%	0.749	73%	0.73	S	S	*	*			cis	-158.9	131.8	-20.8	-130.5	176.1	0	0	0	108
1332	P	38.1	Very low	37.1	Very low	105 Å²	105	133.5 Å²	133.5	68%	0.682	73%	0.732	S	S	*	*			trans	-106.5	-163.4	169	40.6	-35.2	0	0	0	111.6
1333	P	43	Very low	37.8	Very low	108 Å²	108	132.2 Å²	132.2	70%	0.701	74%	0.736	S	S	*	*			cis	-123.9	-170.9	-41.3	33	-14.4	0	0	0	112
1334	T	33.6	Very low	38.2	Very low	138 Å²	138	134.5 Å²	134.5	85%	0.847	75%	0.745	S	S	*	*			trans	161	164.9	134.9	39.7	0	0	0	0	114.3
1335	P	41.5	Very low	38.7	Very low	112 Å²	112	131 Å²	131	73%	0.727	75%	0.746	S	S	*	*			trans	-125.4	-178.2	-166	43.4	-30	0	0	0	117.9
1336	S	31.6	Very low	38.9	Very low	119 Å²	119	131.6 Å²	131.6	83%	0.832	75%	0.752	S	S	*	*			trans	80	157.6	174.8	87.1	0	0	0	0	115.9
1337	S	33.9	Very low	38.9	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	75%	0.753	S	S	*	*			cis	-146.2	-138.2	10.4	53.2	0	0	0	0	113.3
1338	P	41.6	Very low	38.9	Very low	115 Å²	115	129.6 Å²	129.6	75%	0.747	75%	0.754	S	S	*	*			trans	-114.7	178.3	-139.8	19.3	7.8	0	0	0	118.3
1339	P	55.6	Low	38.8	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	75%	0.753	S	S	*	*			trans	-112.5	159.1	-166.9	41.4	-34.9	0	0	0	118.1
1340	P	42	Very low	38.6	Very low	119 Å²	119	130.8 Å²	130.8	77%	0.773	76%	0.761	S	S	*	*			trans	-144.6	-171.2	148.4	39.3	-22.5	0	0	0	113.4
1341	P	42.9	Very low	38.6	Very low	126 Å²	126	132 Å²	132	82%	0.818	76%	0.762	S	S	*	*				-128.2	-176.4	-51.1	38.1	-21.7	0	0	0	114.3
1342	L	43	Very low	38.6	Very low	164 Å²	164	137.2 Å²	137.2	86%	0.859	78%	0.782	S	S	*	*			trans	-80.2	170.7	-179.9	-75.2	159.7	0	0	0	115.6
1343	P	44.4	Very low	38.7	Very low	124 Å²	124	138.9 Å²	138.9	81%	0.805	79%	0.787	S	S	*	*				-129.8	151.8	124.2	37.8	-30.6	0	0	0	117.1
1344	R	38.4	Very low	38.4	Very low	228 Å²	228	140.5 Å²	140.5	86%	0.86	79%	0.792	S	S	*	*			trans	-50.6	161.8	171.7	-66.3	175	174.2	168.8	-2.9	114.6
1345	T	37.4	Very low	38.7	Very low	124 Å²	124	140.6 Å²	140.6	76%	0.761	79%	0.789	S	S	*	*			cis	-158.6	-160.9	7.9	6.3	0	0	0	0	109.2
1346	I	36.6	Very low	38.5	Very low	145 Å²	145	142.3 Å²	142.3	74%	0.744	79%	0.793	S	S	*	*			cis	-146.1	-112.7	19.7	-152.2	167.1	0	0	0	116
1347	T	36.7	Very low	39	Very low	106 Å²	106	143.8 Å²	143.8	65%	0.65	79%	0.79	S	S	*	*			trans	-154.5	161.5	-159.3	52.9	0	0	0	0	110.5
1348	T	36.5	Very low	39.3	Very low	114 Å²	114	146.1 Å²	146.1	70%	0.699	79%	0.792	S	S	*	*			cis	-164.2	157.1	5.8	6.4	0	0	0	0	114.2
1349	T	35	Very low	39.2	Very low	112 Å²	112	148.3 Å²	148.3	69%	0.687	80%	0.795	S	S	*	*			trans	58.1	114.1	147.9	52.3	0	0	0	0	124.5
1350	K	32	Very low	37.9	Very low	179 Å²	179	150.5 Å²	150.5	78%	0.778	80%	0.797	S	S	*	*				46	127.5	116.1	-61.8	-176.8	175.6	-174.2	0	120.5
1351	H	34.9	Very low	37.5	Very low	163 Å²	163	153.2 Å²	153.2	76%	0.755	80%	0.799	S	S	*	*				-160.9	150.9	87.4	-120.5	-90.6	0	0	0	113.6
1352	H	32.9	Very low	37.1	Very low	253 Å²	253	155.6 Å²	155.6	100%	1.171	80%	0.797	S	S	*	*			trans	65.8	0	-175	-76.5	-74.3	0	0	0	117

Retrieved 1,352 of 1,352 residues in 1092.9 ms (Link to these results)

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